smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Cl)cccc1CN1C[C@@H](O)Cc2ccccc21 ZINC000279349874 526327541 /nfs/dbraw/zinc/32/75/41/526327541.db2.gz GEXHOMBATVKFEN-ZDUSSCGKSA-N -1 1 289.762 2.969 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC1 ZINC000277496027 526710131 /nfs/dbraw/zinc/71/01/31/526710131.db2.gz QVRXYVZESJFDSR-UHFFFAOYSA-N -1 1 299.168 2.506 20 10 CFCDMM C[C@H](C(=O)NC1CCCCC1)N(C)Cc1ccccc1O ZINC000731843571 574130257 /nfs/dbraw/zinc/13/02/57/574130257.db2.gz RAWWQLVYEHOWES-CYBMUJFWSA-N -1 1 290.407 2.661 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1coc(-c2ccccc2)n1 ZINC000731835789 574130426 /nfs/dbraw/zinc/13/04/26/574130426.db2.gz QNWYCGBLIFTXII-UXBLZVDNSA-N -1 1 288.353 2.830 20 10 CFCDMM CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)[O-])C1 ZINC000739360400 574210001 /nfs/dbraw/zinc/21/00/01/574210001.db2.gz UWTUAOOBNHZERI-CYBMUJFWSA-N -1 1 292.379 2.604 20 10 CFCDMM CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)[O-])C1 ZINC000739360400 574210003 /nfs/dbraw/zinc/21/00/03/574210003.db2.gz UWTUAOOBNHZERI-CYBMUJFWSA-N -1 1 292.379 2.604 20 10 CFCDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086776048 604474506 /nfs/dbraw/zinc/47/45/06/604474506.db2.gz HUYKCOXVNHXHHU-UHFFFAOYSA-N -1 1 292.162 2.996 20 10 CFCDMM CC(C)C[N@H+](CCC(=O)[O-])Cc1c([O-])cccc1Cl ZINC000833486960 604579060 /nfs/dbraw/zinc/57/90/60/604579060.db2.gz WYDRIYFODCLFJT-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1c([O-])cccc1Cl ZINC000833486960 604579062 /nfs/dbraw/zinc/57/90/62/604579062.db2.gz WYDRIYFODCLFJT-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000833419509 605548800 /nfs/dbraw/zinc/54/88/00/605548800.db2.gz FTELURKNNCXOJM-LBPRGKRZSA-N -1 1 295.354 2.854 20 10 CFCDMM CCOC1CC(CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759854 617836729 /nfs/dbraw/zinc/83/67/29/617836729.db2.gz SIFHOZJIEPVDTQ-UHFFFAOYSA-N -1 1 297.782 2.867 20 10 CFCDMM CCCn1cc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890759045 617837253 /nfs/dbraw/zinc/83/72/53/617837253.db2.gz APEHOBYDNGXKGJ-UHFFFAOYSA-N -1 1 293.754 2.582 20 10 CFCDMM CC(C)(C)C[C@@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759177 617837310 /nfs/dbraw/zinc/83/73/10/617837310.db2.gz FSCLLIZXIFNFHQ-NSHDSACASA-N -1 1 299.798 2.849 20 10 CFCDMM CC[C@H](C)[C@@H](OC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759828 617837368 /nfs/dbraw/zinc/83/73/68/617837368.db2.gz RNMKYGUWOOEIIN-TVQRCGJNSA-N -1 1 285.771 2.723 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](O)C1CCCCC1 ZINC000890759730 617837512 /nfs/dbraw/zinc/83/75/12/617837512.db2.gz PJLNRHYDKCWPFX-AWEZNQCLSA-N -1 1 297.782 2.603 20 10 CFCDMM CC1(C)C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760561 617839154 /nfs/dbraw/zinc/83/91/54/617839154.db2.gz TWRQWXNSWQVCCA-SECBINFHSA-N -1 1 253.729 2.708 20 10 CFCDMM O=C(/C=C\C1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890760701 617839191 /nfs/dbraw/zinc/83/91/91/617839191.db2.gz WYDLIBGSAQREFL-PLNGDYQASA-N -1 1 295.766 2.645 20 10 CFCDMM CSC1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759974 617839210 /nfs/dbraw/zinc/83/92/10/617839210.db2.gz XPUNOZNHJZDBEQ-UHFFFAOYSA-N -1 1 271.769 2.557 20 10 CFCDMM CC(C)[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760537 617839269 /nfs/dbraw/zinc/83/92/69/617839269.db2.gz SKPNPHBALXLJNY-VIFPVBQESA-N -1 1 255.745 2.954 20 10 CFCDMM CCn1cc(NCc2cccc(Br)c2[O-])cn1 ZINC000042411929 620755292 /nfs/dbraw/zinc/75/52/92/620755292.db2.gz XTIAGOFQXWBQJY-UHFFFAOYSA-N -1 1 296.168 2.983 20 10 CFCDMM CCC[C@@H](OCC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761094 617839895 /nfs/dbraw/zinc/83/98/95/617839895.db2.gz KNNYWWKVULWRFW-GFCCVEGCSA-N -1 1 285.771 2.867 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)cc1Cl ZINC000178296250 618741848 /nfs/dbraw/zinc/74/18/48/618741848.db2.gz JCBPYLPXFQRAMU-BAQGIRSFSA-N -1 1 273.741 2.968 20 10 CFCDMM CC/C(C)=C(\C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616801 618786428 /nfs/dbraw/zinc/78/64/28/618786428.db2.gz ZVCGJJBWTZLAIG-MDZDMXLPSA-N -1 1 278.304 2.570 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cs1 ZINC000195221308 618948212 /nfs/dbraw/zinc/94/82/12/618948212.db2.gz BKPZOFSBGWDTHQ-KXFIGUGUSA-N -1 1 261.780 2.890 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC=CO1 ZINC000894330432 619336014 /nfs/dbraw/zinc/33/60/14/619336014.db2.gz ZYDSSDFRTCISLR-LLVKDONJSA-N -1 1 296.754 2.538 20 10 CFCDMM Cc1c(Cl)c(CNCc2c([O-])cccc2F)nn1C ZINC000896636909 619780074 /nfs/dbraw/zinc/78/00/74/619780074.db2.gz GMTMVIZFXWPDLO-UHFFFAOYSA-N -1 1 283.734 2.516 20 10 CFCDMM Cc1nnc(NCc2cc(F)cc(F)c2[O-])n1C1CC1 ZINC000905413761 621762773 /nfs/dbraw/zinc/76/27/73/621762773.db2.gz UELAZLVIKQLUKK-UHFFFAOYSA-N -1 1 280.278 2.517 20 10 CFCDMM C[C@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876735281 622947669 /nfs/dbraw/zinc/94/76/69/622947669.db2.gz CKTPFUAUGHESPK-QMMMGPOBSA-N -1 1 259.321 2.608 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(F)c(F)c(F)c1 ZINC000171044282 623201230 /nfs/dbraw/zinc/20/12/30/623201230.db2.gz LAHWHNRQWQJYKF-XVNBXDOJSA-N -1 1 275.276 2.593 20 10 CFCDMM C[C@@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])c2ncnn21 ZINC000826888633 623903309 /nfs/dbraw/zinc/90/33/09/623903309.db2.gz JINLOJIBMNMAHD-RDDDGLTNSA-N -1 1 296.733 2.572 20 10 CFCDMM CCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCC1 ZINC000826932958 623911171 /nfs/dbraw/zinc/91/11/71/623911171.db2.gz LVIGYXXFFMJGMW-UHFFFAOYSA-N -1 1 281.327 2.937 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccoc1 ZINC000765751727 627156003 /nfs/dbraw/zinc/15/60/03/627156003.db2.gz JJIYCLUHXBSOHZ-UHFFFAOYSA-N -1 1 296.120 2.678 20 10 CFCDMM Cc1cnc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000779102092 628352437 /nfs/dbraw/zinc/35/24/37/628352437.db2.gz VKAPZOHAXGDGDK-LBPRGKRZSA-N -1 1 299.374 2.653 20 10 CFCDMM CCCCC[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789954075 629199804 /nfs/dbraw/zinc/19/98/04/629199804.db2.gz BJFYSWFJWVAJBK-VIFPVBQESA-N -1 1 269.316 2.936 20 10 CFCDMM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789987767 629202103 /nfs/dbraw/zinc/20/21/03/629202103.db2.gz VUSWMQMCVRUKIJ-PWSUYJOCSA-N -1 1 293.338 2.936 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccnc(Cl)c1Cl ZINC000791435253 629315381 /nfs/dbraw/zinc/31/53/81/629315381.db2.gz RBONRRKKBLQBLT-HWKANZROSA-N -1 1 291.184 2.877 20 10 CFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(Cl)c1 ZINC000796980465 629999068 /nfs/dbraw/zinc/99/90/68/629999068.db2.gz DVCTZEXAUADRNO-WTKPLQERSA-N -1 1 285.777 2.837 20 10 CFCDMM CC(C)(C)n1[nH]cnc1=NCc1c([O-])ccc(Cl)c1F ZINC000800815083 630407723 /nfs/dbraw/zinc/40/77/23/630407723.db2.gz LBIUWYIBNWIYQV-UHFFFAOYSA-N -1 1 298.749 2.565 20 10 CFCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)c1[O-] ZINC000840997740 631298037 /nfs/dbraw/zinc/29/80/37/631298037.db2.gz IXUFURXMBXEXDL-HONMWMINSA-N -1 1 293.338 2.749 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(CO)cn1 ZINC000811501554 631572291 /nfs/dbraw/zinc/57/22/91/631572291.db2.gz NPIDHZOJUFPVAM-UHFFFAOYSA-N -1 1 282.702 2.684 20 10 CFCDMM Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816546879 632481826 /nfs/dbraw/zinc/48/18/26/632481826.db2.gz ZVCHBGUIGZMSTE-UHFFFAOYSA-N -1 1 255.680 2.530 20 10 CFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCC(F)CC1 ZINC000857329497 635966454 /nfs/dbraw/zinc/96/64/54/635966454.db2.gz UYNONCPDSBAVKC-XNWIYYODSA-N -1 1 299.317 2.884 20 10 CFCDMM CC(C)c1ncc(C=C2SC(=S)[N-]C2=O)s1 ZINC000123330662 641090293 /nfs/dbraw/zinc/09/02/93/641090293.db2.gz AOUFVNSKHTUBFB-XVNBXDOJSA-N -1 1 270.404 2.755 20 10 CFCDMM [O-]c1c(CN2CCC[C@@H](OC(F)F)C2)ccc(F)c1F ZINC000877189395 643197097 /nfs/dbraw/zinc/19/70/97/643197097.db2.gz OOOYSYYFSVUFGR-SECBINFHSA-N -1 1 293.260 2.874 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC000136486298 646839561 /nfs/dbraw/zinc/83/95/61/646839561.db2.gz BULBMGCUILESGQ-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc[nH]1 ZINC001225550031 775498633 /nfs/dbraw/zinc/49/86/33/775498633.db2.gz QXJYMWXCYAOBMW-VIFPVBQESA-N -1 1 293.754 2.934 20 10 CFCDMM CC(C)[NH+](Cc1ccc(C(=O)[O-])cc1[O-])C(C)C ZINC001231448838 777220507 /nfs/dbraw/zinc/22/05/07/777220507.db2.gz QQGHOYJREORYRA-UHFFFAOYSA-N -1 1 251.326 2.709 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c([O-])c1 ZINC001231450420 777222706 /nfs/dbraw/zinc/22/27/06/777222706.db2.gz RHLPLVCCBQLNQT-UHFFFAOYSA-N -1 1 293.338 2.805 20 10 CFCDMM CC(C)[NH+](Cc1cc(C(=O)[O-])ccc1[O-])C(C)C ZINC001231559852 777258827 /nfs/dbraw/zinc/25/88/27/777258827.db2.gz JJINRHHQMABUSQ-UHFFFAOYSA-N -1 1 251.326 2.709 20 10 CFCDMM C[N@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559597 777259473 /nfs/dbraw/zinc/25/94/73/777259473.db2.gz GSMFICTYBCYKCQ-UHFFFAOYSA-N -1 1 285.343 2.765 20 10 CFCDMM C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559597 777259477 /nfs/dbraw/zinc/25/94/77/777259477.db2.gz GSMFICTYBCYKCQ-UHFFFAOYSA-N -1 1 285.343 2.765 20 10 CFCDMM CCCC[N@H+](CC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559417 777259573 /nfs/dbraw/zinc/25/95/73/777259573.db2.gz CZAQURVJUVODNI-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM CCCC[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231559417 777259576 /nfs/dbraw/zinc/25/95/76/777259576.db2.gz CZAQURVJUVODNI-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1c1cnccn1 ZINC001233334465 777892667 /nfs/dbraw/zinc/89/26/67/777892667.db2.gz IDZRJFUZXSVREI-ZDUSSCGKSA-N -1 1 291.301 2.798 20 10 CFCDMM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001233332760 777893882 /nfs/dbraw/zinc/89/38/82/777893882.db2.gz WRIBAVTTXMABEI-YGRLFVJLSA-N -1 1 283.318 2.671 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccnc1F ZINC001234478143 778235270 /nfs/dbraw/zinc/23/52/70/778235270.db2.gz XXNNDQNWTFGBOK-VIFPVBQESA-N -1 1 291.278 2.975 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CCCO2)c1 ZINC001236663321 778906686 /nfs/dbraw/zinc/90/66/86/778906686.db2.gz LRLWQVCXJFWNCU-UHFFFAOYSA-N -1 1 272.142 2.600 20 10 CFCDMM COC(=O)[C@@H](C)N(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083086 779007563 /nfs/dbraw/zinc/00/75/63/779007563.db2.gz YQVJUJYDLRTKDT-SSDOTTSWSA-N -1 1 292.162 2.692 20 10 CFCDMM CN(Cc1cnccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237127392 779020941 /nfs/dbraw/zinc/02/09/41/779020941.db2.gz ZELPXEKMJONWEW-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233416208 779041248 /nfs/dbraw/zinc/04/12/48/779041248.db2.gz ZSPYDBNUOARCEB-VIFPVBQESA-N -1 1 287.281 2.822 20 10 CFCDMM CN(Cc1cnn(C)c1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237808231 779184435 /nfs/dbraw/zinc/18/44/35/779184435.db2.gz SFULJQGRMFCZJD-UHFFFAOYSA-N -1 1 283.734 2.550 20 10 CFCDMM O=C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1F ZINC001237934656 779211028 /nfs/dbraw/zinc/21/10/28/779211028.db2.gz MJTPFUVYOPKHKN-SNVBAGLBSA-N -1 1 289.709 2.688 20 10 CFCDMM O=C1CN(Cc2cc(F)c(Cl)cc2[O-])CCC[C@@H]1F ZINC001237935106 779211389 /nfs/dbraw/zinc/21/13/89/779211389.db2.gz QJNGGCSMCXPAEP-JTQLQIEISA-N -1 1 289.709 2.688 20 10 CFCDMM C[C@H]1CCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235299290 779340848 /nfs/dbraw/zinc/34/08/48/779340848.db2.gz TXQNDDXLWHRLDV-ZETCQYMHSA-N -1 1 274.133 2.888 20 10 CFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000037323534 372664886 /nfs/dbraw/zinc/66/48/86/372664886.db2.gz OBSUOCRUJJWDIO-CYBMUJFWSA-N -1 1 297.782 2.859 20 10 CFCDMM CC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295853094 381116033 /nfs/dbraw/zinc/11/60/33/381116033.db2.gz NXBKJSYJOVMWFY-JTQLQIEISA-N -1 1 281.327 2.889 20 10 CFCDMM C[C@H](CCc1ccco1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296423332 381389057 /nfs/dbraw/zinc/38/90/57/381389057.db2.gz MULRSLWIUXKVBP-SECBINFHSA-N -1 1 293.294 2.581 20 10 CFCDMM O=c1[nH]ccc2c1C[N@@H+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000372814395 381874007 /nfs/dbraw/zinc/87/40/07/381874007.db2.gz JPZJUSFRGJYOHR-UHFFFAOYSA-N -1 1 290.750 2.705 20 10 CFCDMM CC[N@@H+](Cc1cnn(C)c1)Cc1c(O)cccc1Cl ZINC000271155094 385352603 /nfs/dbraw/zinc/35/26/03/385352603.db2.gz VNWHOLVWRPFLNY-UHFFFAOYSA-N -1 1 279.771 2.801 20 10 CFCDMM CC[C@H](C)[C@H](OC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759829 617836778 /nfs/dbraw/zinc/83/67/78/617836778.db2.gz RNMKYGUWOOEIIN-ZANVPECISA-N -1 1 285.771 2.723 20 10 CFCDMM O=C(C=C1CCC1)NCc1cccc(Cl)c1[O-] ZINC000890759451 617837003 /nfs/dbraw/zinc/83/70/03/617837003.db2.gz CASQPDKXSXJUQK-UHFFFAOYSA-N -1 1 251.713 2.772 20 10 CFCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890760123 617837098 /nfs/dbraw/zinc/83/70/98/617837098.db2.gz IREFSSCYNGSSGB-QMMMGPOBSA-N -1 1 253.729 2.708 20 10 CFCDMM CO[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761337 617838476 /nfs/dbraw/zinc/83/84/76/617838476.db2.gz OMVVGBAPPYJGIP-YPMHNXCESA-N -1 1 297.782 2.867 20 10 CFCDMM O=C(/C=C\C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890760596 617839200 /nfs/dbraw/zinc/83/92/00/617839200.db2.gz UVLJDAMCDVBGQG-SREVYHEPSA-N -1 1 251.713 2.628 20 10 CFCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCCO1 ZINC000890761747 617841182 /nfs/dbraw/zinc/84/11/82/617841182.db2.gz WJFURBUTNXAQPX-ZWNOBZJWSA-N -1 1 297.782 2.867 20 10 CFCDMM CCc1noc(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758130 617835581 /nfs/dbraw/zinc/83/55/81/617835581.db2.gz RPLYWBWOENNOJB-UHFFFAOYSA-N -1 1 294.738 2.834 20 10 CFCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762763 617842016 /nfs/dbraw/zinc/84/20/16/617842016.db2.gz HUZZZLUOHLEXIW-SASUGWTJSA-N -1 1 279.767 2.954 20 10 CFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763402 617843448 /nfs/dbraw/zinc/84/34/48/617843448.db2.gz VNWWBCUKCCLIEK-BSTOTGJRSA-N -1 1 297.782 2.721 20 10 CFCDMM CSC[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893099059 618831622 /nfs/dbraw/zinc/83/16/22/618831622.db2.gz HGECXFITBGMDAN-MRVPVSSYSA-N -1 1 288.800 2.596 20 10 CFCDMM C[C@@H](F)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895050957 619534926 /nfs/dbraw/zinc/53/49/26/619534926.db2.gz MNTMICDXCRAVCX-MRVPVSSYSA-N -1 1 274.723 2.593 20 10 CFCDMM CC(C)c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905406458 621760516 /nfs/dbraw/zinc/76/05/16/621760516.db2.gz WFRXRABDVSCYJJ-UHFFFAOYSA-N -1 1 269.251 2.789 20 10 CFCDMM CC[C@H](C)CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908330496 622216272 /nfs/dbraw/zinc/21/62/72/622216272.db2.gz ZROBIYOIBRTEPD-VIFPVBQESA-N -1 1 291.800 2.511 20 10 CFCDMM C[C@H]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825529266 623709587 /nfs/dbraw/zinc/70/95/87/623709587.db2.gz FIBCLSAANKCPGX-VHSXEESVSA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@H]1CC(NC(=O)c2c(F)ccc(O)c2[O-])C[C@H](C)C1 ZINC000826000963 623780193 /nfs/dbraw/zinc/78/01/93/623780193.db2.gz HRLJIAZKSFUCAL-RKDXNWHRSA-N -1 1 281.327 2.791 20 10 CFCDMM O=C(NCC12CCC(CC1)C2)c1c(F)ccc(O)c1[O-] ZINC000827391076 623997231 /nfs/dbraw/zinc/99/72/31/623997231.db2.gz WMIMPSJNZKWJQE-UHFFFAOYSA-N -1 1 279.311 2.547 20 10 CFCDMM CC(C)(C)[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000828328109 624229250 /nfs/dbraw/zinc/22/92/50/624229250.db2.gz MGGHOQORJIINPN-SECBINFHSA-N -1 1 281.327 2.745 20 10 CFCDMM C[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829902456 624579485 /nfs/dbraw/zinc/57/94/85/624579485.db2.gz GHNUXLGZXXHFHF-VHSXEESVSA-N -1 1 281.327 2.936 20 10 CFCDMM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646992 625945821 /nfs/dbraw/zinc/94/58/21/625945821.db2.gz LZLNUDMNPGCOBT-YUMQZZPRSA-N -1 1 270.716 2.794 20 10 CFCDMM Cc1cc(Br)c([O-])c(CNCC(F)F)c1 ZINC000839093758 626524332 /nfs/dbraw/zinc/52/43/32/626524332.db2.gz WTAZNDWFOTXFKG-UHFFFAOYSA-N -1 1 280.112 2.818 20 10 CFCDMM CC[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)C1 ZINC000809697316 626553910 /nfs/dbraw/zinc/55/39/10/626553910.db2.gz DTVQRGCWHVOAJY-JTQLQIEISA-N -1 1 286.778 2.711 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(F)cc(Cl)c1 ZINC000776722549 628170705 /nfs/dbraw/zinc/17/07/05/628170705.db2.gz SMUUCCWRBVSMTH-FPYGCLRLSA-N -1 1 273.741 2.968 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc2ccccn21 ZINC000790241323 629222330 /nfs/dbraw/zinc/22/23/30/629222330.db2.gz UBKSXFLIQGHAED-UHFFFAOYSA-N -1 1 292.701 2.840 20 10 CFCDMM CN(CCC(C)(C)C)C(=O)c1c([O-])c(O)ccc1F ZINC000844147257 632127150 /nfs/dbraw/zinc/12/71/50/632127150.db2.gz BNWFFUKFDSRNGL-UHFFFAOYSA-N -1 1 269.316 2.745 20 10 CFCDMM NC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816524810 632478328 /nfs/dbraw/zinc/47/83/28/632478328.db2.gz SAUDHMNAALSUPJ-UHFFFAOYSA-N -1 1 294.713 2.896 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cc2n(n1)CCCC2 ZINC000883118672 645611198 /nfs/dbraw/zinc/61/11/98/645611198.db2.gz CDFNWUOVDSZXEN-UHFFFAOYSA-N -1 1 279.290 2.815 20 10 CFCDMM CC[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000886803347 647145512 /nfs/dbraw/zinc/14/55/12/647145512.db2.gz HWPDYGGFCYMSQL-ZYHUDNBSSA-N -1 1 295.276 2.885 20 10 CFCDMM CC[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000886803344 647145591 /nfs/dbraw/zinc/14/55/91/647145591.db2.gz HWPDYGGFCYMSQL-CMPLNLGQSA-N -1 1 295.276 2.885 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)c(Cl)c1 ZINC000255431555 770816137 /nfs/dbraw/zinc/81/61/37/770816137.db2.gz QJKNZTOWEKTKTA-YWEYNIOJSA-N -1 1 273.741 2.968 20 10 CFCDMM C[C@@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446115 777221579 /nfs/dbraw/zinc/22/15/79/777221579.db2.gz DMKHZPYYNDQPSV-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446115 777221583 /nfs/dbraw/zinc/22/15/83/777221583.db2.gz DMKHZPYYNDQPSV-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H](C)C1 ZINC001231451982 777222678 /nfs/dbraw/zinc/22/26/78/777222678.db2.gz AAQSKTHRPDLRJF-GHMZBOCLSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H](C)C1 ZINC001231451982 777222681 /nfs/dbraw/zinc/22/26/81/777222681.db2.gz AAQSKTHRPDLRJF-GHMZBOCLSA-N -1 1 263.337 2.711 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CC1(C)C ZINC001231455730 777224598 /nfs/dbraw/zinc/22/45/98/777224598.db2.gz UUAZGDZYZJVSEO-LBPRGKRZSA-N -1 1 263.337 2.568 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CC1(C)C ZINC001231455730 777224607 /nfs/dbraw/zinc/22/46/07/777224607.db2.gz UUAZGDZYZJVSEO-LBPRGKRZSA-N -1 1 263.337 2.568 20 10 CFCDMM CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC1 ZINC001231562019 777261000 /nfs/dbraw/zinc/26/10/00/777261000.db2.gz YUMUUIDDHCUNOM-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC1 ZINC001231562019 777261007 /nfs/dbraw/zinc/26/10/07/777261007.db2.gz YUMUUIDDHCUNOM-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)(C)C ZINC001231564705 777261948 /nfs/dbraw/zinc/26/19/48/777261948.db2.gz WCGKPCHQUFXLDV-UHFFFAOYSA-N -1 1 251.326 2.568 20 10 CFCDMM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)(C)C ZINC001231564705 777261951 /nfs/dbraw/zinc/26/19/51/777261951.db2.gz WCGKPCHQUFXLDV-UHFFFAOYSA-N -1 1 251.326 2.568 20 10 CFCDMM [O-]c1cc(CN2CCc3cccc(O)c3C2)cc(F)c1F ZINC001232975775 777749620 /nfs/dbraw/zinc/74/96/20/777749620.db2.gz PLRLLTBCIYHSRO-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM O=C1CCCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233416274 777942919 /nfs/dbraw/zinc/94/29/19/777942919.db2.gz BYMDWNMITRPXQJ-UHFFFAOYSA-N -1 1 287.281 2.966 20 10 CFCDMM CN(Cc1cccc(C(F)(F)F)c1[O-])Cc1ncccn1 ZINC001233415885 777942968 /nfs/dbraw/zinc/94/29/68/777942968.db2.gz MMBQUZBDVBNUOT-UHFFFAOYSA-N -1 1 297.280 2.833 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ncccc1F ZINC001234475345 778234075 /nfs/dbraw/zinc/23/40/75/778234075.db2.gz FUQKIQKLCJKLSH-VIFPVBQESA-N -1 1 291.278 2.975 20 10 CFCDMM Cc1cc2c(cn1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142527365 778402712 /nfs/dbraw/zinc/40/27/12/778402712.db2.gz SITJAWMTAWHFFW-UHFFFAOYSA-N -1 1 276.286 2.890 20 10 CFCDMM COc1cc([O-])c(CN2CC(F)(F)C2)c(Cl)c1 ZINC001236797442 778941547 /nfs/dbraw/zinc/94/15/47/778941547.db2.gz FCQYARUFBYQMJA-UHFFFAOYSA-N -1 1 263.671 2.505 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078403 779006713 /nfs/dbraw/zinc/00/67/13/779006713.db2.gz RVADVHWVPCUNTB-UHFFFAOYSA-N -1 1 274.147 2.864 20 10 CFCDMM Cn1ncc2c1CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237083167 779007232 /nfs/dbraw/zinc/00/72/32/779007232.db2.gz ZOLUYLLNGZRWML-UHFFFAOYSA-N -1 1 298.173 2.948 20 10 CFCDMM CN(Cc1c([O-])ccc(Cl)c1Cl)C1(C)COC1 ZINC001237084886 779009349 /nfs/dbraw/zinc/00/93/49/779009349.db2.gz QAZBJONRACBCRH-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM Cc1nc(CN(C)Cc2c([O-])ccc(F)c2Cl)no1 ZINC001237121328 779016977 /nfs/dbraw/zinc/01/69/77/779016977.db2.gz CFIMIQSIZLIHKA-UHFFFAOYSA-N -1 1 285.706 2.508 20 10 CFCDMM C[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237119866 779017331 /nfs/dbraw/zinc/01/73/31/779017331.db2.gz GZMLIUQDZRGBKS-QMMMGPOBSA-N -1 1 271.719 2.596 20 10 CFCDMM CN(Cc1cccnc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073817 779017995 /nfs/dbraw/zinc/01/79/95/779017995.db2.gz DDZHZPMIWCIPAY-UHFFFAOYSA-N -1 1 264.275 2.697 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237125008 779019794 /nfs/dbraw/zinc/01/97/94/779019794.db2.gz UXWJNPSYZGDHFY-DTORHVGOSA-N -1 1 265.662 2.677 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC2(C1)CCCO2 ZINC001237124250 779019953 /nfs/dbraw/zinc/01/99/53/779019953.db2.gz NGEIGGSSUBRKIA-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOCC(F)(F)C1 ZINC001237933385 779209862 /nfs/dbraw/zinc/20/98/62/779209862.db2.gz ATUJKPZWUGEKGX-UHFFFAOYSA-N -1 1 295.688 2.652 20 10 CFCDMM CN(Cc1ccon1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237949206 779214796 /nfs/dbraw/zinc/21/47/96/779214796.db2.gz ISGJGIZETHEQEQ-UHFFFAOYSA-N -1 1 270.691 2.805 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](C)O1 ZINC001237946387 779215278 /nfs/dbraw/zinc/21/52/78/779215278.db2.gz KZWQEBGEIPACQV-DTORHVGOSA-N -1 1 273.735 2.794 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC(F)(F)C1 ZINC001237121121 779664856 /nfs/dbraw/zinc/66/48/56/779664856.db2.gz KHSMGTFFWIMDLJ-UHFFFAOYSA-N -1 1 251.635 2.636 20 10 CFCDMM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293914106 382334808 /nfs/dbraw/zinc/33/48/08/382334808.db2.gz GEIVPDDDIHQZOM-SNVBAGLBSA-N -1 1 273.735 2.532 20 10 CFCDMM CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1[O-])C1CC1 ZINC000037322916 260159984 /nfs/dbraw/zinc/15/99/84/260159984.db2.gz IKJHFKIFPXBANQ-UHFFFAOYSA-N -1 1 251.301 2.718 20 10 CFCDMM O=C(N[C@@H]1CCCc2occc21)c1c(F)ccc(O)c1[O-] ZINC000276751293 526915723 /nfs/dbraw/zinc/91/57/23/526915723.db2.gz WBPHZJLRDRXAEY-SNVBAGLBSA-N -1 1 291.278 2.637 20 10 CFCDMM O=C([O-])C1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000086735007 600007210 /nfs/dbraw/zinc/00/72/10/600007210.db2.gz RJOLFMWJUTUMEQ-UHFFFAOYSA-N -1 1 283.755 2.779 20 10 CFCDMM O=C([O-])N1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000834076898 606008636 /nfs/dbraw/zinc/00/86/36/606008636.db2.gz DFNAQFPNWMBWRC-UHFFFAOYSA-N -1 1 298.770 2.525 20 10 CFCDMM CCc1c(C(=O)NCc2cccc(Cl)c2[O-])ccn1C ZINC000890759365 617837175 /nfs/dbraw/zinc/83/71/75/617837175.db2.gz KHXHLPMQNSDROF-UHFFFAOYSA-N -1 1 292.766 2.877 20 10 CFCDMM COC[C@H](C)[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760074 617837452 /nfs/dbraw/zinc/83/74/52/617837452.db2.gz ZXPGZBYXIREMRG-UWVGGRQHSA-N -1 1 285.771 2.580 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000890759950 617838173 /nfs/dbraw/zinc/83/81/73/617838173.db2.gz WYQHKPIRQMOZKU-MNOVXSKESA-N -1 1 265.740 2.708 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890757056 617833856 /nfs/dbraw/zinc/83/38/56/617833856.db2.gz JRCPSWAHVFZIRH-UHFFFAOYSA-N -1 1 253.729 2.852 20 10 CFCDMM CCCCO[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757936 617835453 /nfs/dbraw/zinc/83/54/53/617835453.db2.gz NKNGEJLGYJPCDV-SNVBAGLBSA-N -1 1 285.771 2.867 20 10 CFCDMM CC1(C)C[C@@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895346334 618541895 /nfs/dbraw/zinc/54/18/95/618541895.db2.gz HUGYCMJAFOAXGG-JTQLQIEISA-N -1 1 268.744 2.643 20 10 CFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)s1 ZINC000193879388 618958551 /nfs/dbraw/zinc/95/85/51/618958551.db2.gz SGCANRUNZSFPKU-UHFFFAOYSA-N -1 1 283.374 2.871 20 10 CFCDMM Oc1c(F)cc(F)cc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000894464858 619392046 /nfs/dbraw/zinc/39/20/46/619392046.db2.gz UFPWNEADEGXVMY-UHFFFAOYSA-N -1 1 283.318 2.673 20 10 CFCDMM [O-]c1c(Cl)cccc1CNCc1cn(C2CCC2)nn1 ZINC000898215183 620346597 /nfs/dbraw/zinc/34/65/97/620346597.db2.gz JNDHZQRSPZDMAQ-UHFFFAOYSA-N -1 1 292.770 2.652 20 10 CFCDMM COc1cnc(C=Cc2ccc(N(C)C)cc2C)[n-]c1=O ZINC000905077637 621689827 /nfs/dbraw/zinc/68/98/27/621689827.db2.gz ZMEBYPLDFDFIOB-VURMDHGXSA-N -1 1 285.347 2.736 20 10 CFCDMM CC(C)(C)n1cnc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000905412599 621762582 /nfs/dbraw/zinc/76/25/82/621762582.db2.gz ZLPQJDWSCNBTPC-UHFFFAOYSA-N -1 1 282.294 2.629 20 10 CFCDMM C[C@@H]1C[C@H]1c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905417667 621763951 /nfs/dbraw/zinc/76/39/51/621763951.db2.gz CLEVBSZCQQHJDL-HZGVNTEJSA-N -1 1 281.262 2.789 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1sccc1Cl ZINC000209844937 622747987 /nfs/dbraw/zinc/74/79/87/622747987.db2.gz BTNAROMEWJTVMR-ZZXKWVIFSA-N -1 1 261.780 2.890 20 10 CFCDMM C[C@@H]1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825529264 623709433 /nfs/dbraw/zinc/70/94/33/623709433.db2.gz FIBCLSAANKCPGX-NXEZZACHSA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@@H]1CC(NC(=O)c2c(F)ccc(O)c2[O-])C[C@@H](C)C1 ZINC000826000961 623779911 /nfs/dbraw/zinc/77/99/11/623779911.db2.gz HRLJIAZKSFUCAL-IUCAKERBSA-N -1 1 281.327 2.791 20 10 CFCDMM CC1(C)C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765767262 627156740 /nfs/dbraw/zinc/15/67/40/627156740.db2.gz ZEWJUKZMFFYPBI-VIFPVBQESA-N -1 1 298.180 2.817 20 10 CFCDMM O=C(/C=C/C1CC1)NCc1cccc(Br)c1[O-] ZINC000765770906 627156830 /nfs/dbraw/zinc/15/68/30/627156830.db2.gz SDCFABMWILATRN-VOTSOKGWSA-N -1 1 296.164 2.737 20 10 CFCDMM O=C(/C=C\C1CC1)NCc1cccc(Br)c1[O-] ZINC000765770905 627156926 /nfs/dbraw/zinc/15/69/26/627156926.db2.gz SDCFABMWILATRN-SREVYHEPSA-N -1 1 296.164 2.737 20 10 CFCDMM C[C@@H]1CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783854871 628750342 /nfs/dbraw/zinc/75/03/42/628750342.db2.gz KFWTVKRYVAFKKM-PWSUYJOCSA-N -1 1 292.331 2.650 20 10 CFCDMM C/C(=C/C(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784802864 628843006 /nfs/dbraw/zinc/84/30/06/628843006.db2.gz YWHRMWQSMVWPGX-NTMALXAHSA-N -1 1 292.331 2.816 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(CO)cn1 ZINC000811501604 631572870 /nfs/dbraw/zinc/57/28/70/631572870.db2.gz PJZLGDJVQSWHPS-UHFFFAOYSA-N -1 1 282.702 2.684 20 10 CFCDMM Cc1cnccc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000814806713 632128743 /nfs/dbraw/zinc/12/87/43/632128743.db2.gz NNVZTFLLSLPBOH-UHFFFAOYSA-N -1 1 275.329 2.776 20 10 CFCDMM CCC[C@@H](CC)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000844662966 632277612 /nfs/dbraw/zinc/27/76/12/632277612.db2.gz IEWBWIIYUCFXRA-MRVPVSSYSA-N -1 1 293.335 2.991 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1O ZINC000844936941 632342070 /nfs/dbraw/zinc/34/20/70/632342070.db2.gz QTIFPINRJGZRNR-UHFFFAOYSA-N -1 1 283.755 2.651 20 10 CFCDMM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000846660256 632766786 /nfs/dbraw/zinc/76/67/86/632766786.db2.gz WFJJRJOPKDAEHY-WCBMZHEXSA-N -1 1 281.327 2.791 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(=O)[O-] ZINC000859815739 636706616 /nfs/dbraw/zinc/70/66/16/636706616.db2.gz RSFUSXRUSXMKCV-MWLCHTKSSA-N -1 1 283.755 2.588 20 10 CFCDMM CCCc1ncc(CNCc2ccc(F)c(F)c2[O-])o1 ZINC000877573911 643372125 /nfs/dbraw/zinc/37/21/25/643372125.db2.gz XKYJZONDNFKLTO-UHFFFAOYSA-N -1 1 282.290 2.901 20 10 CFCDMM COCCC1(C)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877581949 643377909 /nfs/dbraw/zinc/37/79/09/643377909.db2.gz AWBOQNONWQXEPR-UHFFFAOYSA-N -1 1 271.307 2.529 20 10 CFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CC1 ZINC001228111948 776398379 /nfs/dbraw/zinc/39/83/79/776398379.db2.gz XFOBJIXUVWKKEN-UHFFFAOYSA-N -1 1 286.283 2.576 20 10 CFCDMM CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453247 777224150 /nfs/dbraw/zinc/22/41/50/777224150.db2.gz JIOKMWPQOBMGOO-ZDUSSCGKSA-N -1 1 263.337 2.855 20 10 CFCDMM CC[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453247 777224156 /nfs/dbraw/zinc/22/41/56/777224156.db2.gz JIOKMWPQOBMGOO-ZDUSSCGKSA-N -1 1 263.337 2.855 20 10 CFCDMM CC(C)[C@@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC001231912769 777380608 /nfs/dbraw/zinc/38/06/08/777380608.db2.gz YPOLHNIOUPWULQ-ZDUSSCGKSA-N -1 1 269.772 2.902 20 10 CFCDMM [O-]c1cc(O)c(CN2CCCC(F)(F)C2)cc1Cl ZINC001232259475 777496866 /nfs/dbraw/zinc/49/68/66/777496866.db2.gz JJTHHUMBBGDSDA-UHFFFAOYSA-N -1 1 277.698 2.982 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC(F)(C2CC2)C1 ZINC001233331760 777889296 /nfs/dbraw/zinc/88/92/96/777889296.db2.gz JWSAJPBGKAXAKK-UHFFFAOYSA-N -1 1 257.255 2.604 20 10 CFCDMM C[N@@H+](Cc1c(O)ccc(F)c1F)C[C@@H]1CCCCO1 ZINC001233334360 777892614 /nfs/dbraw/zinc/89/26/14/777892614.db2.gz CSSPQHMFWNBBRM-JTQLQIEISA-N -1 1 271.307 2.671 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2cccnc2C1 ZINC001233335721 777895969 /nfs/dbraw/zinc/89/59/69/777895969.db2.gz ILFSMKMBLVDCSY-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM [O-]c1c(CN2CC[C@@H](F)C2)cccc1C(F)(F)F ZINC001233415730 777944490 /nfs/dbraw/zinc/94/44/90/777944490.db2.gz GXXPBPJRVSVFOT-SECBINFHSA-N -1 1 263.234 2.955 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](CC)COC ZINC001233497651 777969277 /nfs/dbraw/zinc/96/92/77/777969277.db2.gz QKMXEYSBQZKZQB-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM CCCCOC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473413 778234145 /nfs/dbraw/zinc/23/41/45/778234145.db2.gz GPDDAPOTDNIGDK-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC(=O)C1(C)C ZINC001234477976 778235105 /nfs/dbraw/zinc/23/51/05/778235105.db2.gz VWYUJHGRUBARJO-HNNXBMFYSA-N -1 1 292.331 2.827 20 10 CFCDMM CCOC1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794582 778938993 /nfs/dbraw/zinc/93/89/93/778938993.db2.gz SWFKUEJCRIKDAA-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM COC1(C)CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793471 778939827 /nfs/dbraw/zinc/93/98/27/778939827.db2.gz KWVVZJIGFRUJTJ-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM COc1ccc(CN2CC3(CSC3)C2)c([O-])c1Cl ZINC001236806524 778947306 /nfs/dbraw/zinc/94/73/06/778947306.db2.gz AYPPVWMZIANYOC-UHFFFAOYSA-N -1 1 285.796 2.603 20 10 CFCDMM CO[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237076961 779005754 /nfs/dbraw/zinc/00/57/54/779005754.db2.gz BAKKKFURMNBTTL-GXSJLCMTSA-N -1 1 294.153 2.868 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC(C(F)F)C1 ZINC001237128020 779021710 /nfs/dbraw/zinc/02/17/10/779021710.db2.gz LJMGDLFBLQWXQB-UHFFFAOYSA-N -1 1 265.662 2.882 20 10 CFCDMM Cc1nc(CN(C)Cc2cc(F)c(Cl)cc2[O-])no1 ZINC001237934997 779210100 /nfs/dbraw/zinc/21/01/00/779210100.db2.gz ORFCPOOZSICTCQ-UHFFFAOYSA-N -1 1 285.706 2.508 20 10 CFCDMM C[N@H+](Cc1ccc2c(c1)OCO2)Cc1c(O)cccc1F ZINC001137838462 781151488 /nfs/dbraw/zinc/15/14/88/781151488.db2.gz APOPSYRCGAEKMR-UHFFFAOYSA-N -1 1 289.306 2.892 20 10 CFCDMM CC(C)(O)C1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000297332889 200151519 /nfs/dbraw/zinc/15/15/19/200151519.db2.gz FBWDEERBDWTYFS-UHFFFAOYSA-N -1 1 290.190 2.902 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCOC2(CCC2)C1 ZINC000180417901 380655713 /nfs/dbraw/zinc/65/57/13/380655713.db2.gz BKOBIEYHZPBTCU-UHFFFAOYSA-N -1 1 267.756 2.801 20 10 CFCDMM C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC12CCC2 ZINC000297670043 381568858 /nfs/dbraw/zinc/56/88/58/381568858.db2.gz ZTKTXMUCGSKPKG-JTQLQIEISA-N -1 1 293.338 2.889 20 10 CFCDMM Oc1ccc(F)cc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000293834266 382297868 /nfs/dbraw/zinc/29/78/68/382297868.db2.gz ATOYIUZVQQTRAT-JKSUJKDBSA-N -1 1 277.339 2.675 20 10 CFCDMM CC(C)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000294810317 382530858 /nfs/dbraw/zinc/53/08/58/382530858.db2.gz CMHYPJOHLOLLSB-UHFFFAOYSA-N -1 1 281.327 2.745 20 10 CFCDMM CO[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295295843 382609753 /nfs/dbraw/zinc/60/97/53/382609753.db2.gz JMDZQGPVYXSUEU-JTQLQIEISA-N -1 1 273.735 2.796 20 10 CFCDMM CCCC[N@H+](Cc1nc(C)no1)Cc1ccccc1O ZINC000282566066 385343176 /nfs/dbraw/zinc/34/31/76/385343176.db2.gz ZAMUXGKZBIOTJG-UHFFFAOYSA-N -1 1 275.352 2.886 20 10 CFCDMM CC(C)c1nnc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000296464393 394309400 /nfs/dbraw/zinc/30/94/00/394309400.db2.gz NLISVWYDUDVKSJ-QMMMGPOBSA-N -1 1 296.321 2.763 20 10 CFCDMM CC(C)(F)C(=O)NCc1cccc(Br)c1[O-] ZINC000277530753 519289872 /nfs/dbraw/zinc/28/98/72/519289872.db2.gz MMEBJWJCZFFBLB-UHFFFAOYSA-N -1 1 290.132 2.519 20 10 CFCDMM COCCN(Cc1c([O-])cccc1Cl)CC(F)F ZINC000130217347 523739928 /nfs/dbraw/zinc/73/99/28/523739928.db2.gz GEVPYMWPICIRPD-UHFFFAOYSA-N -1 1 279.714 2.759 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])C1CC=CC1 ZINC000277570817 526710537 /nfs/dbraw/zinc/71/05/37/526710537.db2.gz QOXCTCYGNDQYRP-UHFFFAOYSA-N -1 1 296.164 2.737 20 10 CFCDMM O=C(N[C@H]1CCCc2occc21)c1c(F)ccc(O)c1[O-] ZINC000276751287 527041660 /nfs/dbraw/zinc/04/16/60/527041660.db2.gz WBPHZJLRDRXAEY-JTQLQIEISA-N -1 1 291.278 2.637 20 10 CFCDMM O=C([O-])N(CCC[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000740489866 574251185 /nfs/dbraw/zinc/25/11/85/574251185.db2.gz SCJGLNWNPCANLU-UHFFFAOYSA-N -1 1 298.770 2.668 20 10 CFCDMM COC(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])o1 ZINC000734159816 574277505 /nfs/dbraw/zinc/27/75/05/574277505.db2.gz JCXCGXKAJUXFCF-UHFFFAOYSA-N -1 1 295.722 2.715 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCS1 ZINC000890759547 617837330 /nfs/dbraw/zinc/83/73/30/617837330.db2.gz NSTLSHKBOPZZNH-NSHDSACASA-N -1 1 285.796 2.948 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC12CCC2 ZINC000890760735 617838656 /nfs/dbraw/zinc/83/86/56/617838656.db2.gz YDRZTWFCBXKLAA-JTQLQIEISA-N -1 1 265.740 2.852 20 10 CFCDMM O=C(/C=C/C1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890760702 617838945 /nfs/dbraw/zinc/83/89/45/617838945.db2.gz WYDLIBGSAQREFL-SNAWJCMRSA-N -1 1 295.766 2.645 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCS1 ZINC000890760529 617839091 /nfs/dbraw/zinc/83/90/91/617839091.db2.gz SFDOYHDUBCFOLB-SNVBAGLBSA-N -1 1 271.769 2.557 20 10 CFCDMM CC(C)CO[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757475 617834239 /nfs/dbraw/zinc/83/42/39/617834239.db2.gz FDDLKKCMTCHWBJ-JTQLQIEISA-N -1 1 285.771 2.723 20 10 CFCDMM CC/C=C(/F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761098 617840405 /nfs/dbraw/zinc/84/04/05/617840405.db2.gz KPGIOTSLUZNMQG-ONNFQVAWSA-N -1 1 257.692 2.925 20 10 CFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763403 617843882 /nfs/dbraw/zinc/84/38/82/617843882.db2.gz VNWWBCUKCCLIEK-COMAGPEQSA-N -1 1 297.782 2.721 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cccc(OC(F)F)c1 ZINC000255524012 618088244 /nfs/dbraw/zinc/08/82/44/618088244.db2.gz VDNUWBYZTACZON-VMPITWQZSA-N -1 1 287.312 2.777 20 10 CFCDMM CC[C@@H](Nc1cnn(CCO)c1)c1cccc(Cl)c1[O-] ZINC000806155144 618107651 /nfs/dbraw/zinc/10/76/51/618107651.db2.gz NPMAFRGWHTTXCW-CYBMUJFWSA-N -1 1 295.770 2.798 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1C[C@H](CO)c2ccccc21 ZINC000894857667 619485751 /nfs/dbraw/zinc/48/57/51/619485751.db2.gz NDPHEVWXOHAYJG-LLVKDONJSA-N -1 1 291.297 2.767 20 10 CFCDMM COCC1CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000895971013 619646563 /nfs/dbraw/zinc/64/65/63/619646563.db2.gz JOMVQLKQBFWOJB-UHFFFAOYSA-N -1 1 276.163 2.777 20 10 CFCDMM COc1ccc(CNCc2cc(C(=O)[O-])co2)cc1C ZINC000841793280 620450876 /nfs/dbraw/zinc/45/08/76/620450876.db2.gz CDBHGKRQVWGNPP-UHFFFAOYSA-N -1 1 275.304 2.585 20 10 CFCDMM CC[C@@H](C)CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908330495 622216355 /nfs/dbraw/zinc/21/63/55/622216355.db2.gz ZROBIYOIBRTEPD-SECBINFHSA-N -1 1 291.800 2.511 20 10 CFCDMM CCCOCCOC(=O)NCc1cccc(Cl)c1[O-] ZINC000908330480 622216421 /nfs/dbraw/zinc/21/64/21/622216421.db2.gz YZOXRUBVNAEXPT-UHFFFAOYSA-N -1 1 287.743 2.698 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1F ZINC000152131015 623653189 /nfs/dbraw/zinc/65/31/89/623653189.db2.gz WLNGNOGTAWHEOY-XBXARRHUSA-N -1 1 273.741 2.968 20 10 CFCDMM C[C@@H](CCC1CC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000828712085 624289875 /nfs/dbraw/zinc/28/98/75/624289875.db2.gz YQZXMLUPXMLQJQ-QMMMGPOBSA-N -1 1 267.300 2.545 20 10 CFCDMM C[C@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000830474956 624755801 /nfs/dbraw/zinc/75/58/01/624755801.db2.gz RTQYXEYEZNICOQ-VIFPVBQESA-N -1 1 279.311 2.642 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1nncn1C1CC1 ZINC000922657816 626335512 /nfs/dbraw/zinc/33/55/12/626335512.db2.gz DYGLWPYDTDDRAJ-UHFFFAOYSA-N -1 1 282.706 2.723 20 10 CFCDMM CN(Cc1ccccc1O)C(=O)c1ccc([O-])c(F)c1 ZINC000768253883 627329180 /nfs/dbraw/zinc/32/91/80/627329180.db2.gz OCOLEPJYHFRVNR-UHFFFAOYSA-N -1 1 275.279 2.509 20 10 CFCDMM CC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780862062 628500881 /nfs/dbraw/zinc/50/08/81/628500881.db2.gz VIUVANYCAQUWNF-UHFFFAOYSA-N -1 1 285.299 2.861 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc2c1OCC2 ZINC000782881455 628661605 /nfs/dbraw/zinc/66/16/05/628661605.db2.gz UOWFWXXQXPSLLY-UITAMQMPSA-N -1 1 297.788 2.764 20 10 CFCDMM CN(Cc1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789943442 629198923 /nfs/dbraw/zinc/19/89/23/629198923.db2.gz ZABPMAVYKIBXIM-UHFFFAOYSA-N -1 1 275.279 2.509 20 10 CFCDMM CCc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])s1 ZINC000789957277 629199656 /nfs/dbraw/zinc/19/96/56/629199656.db2.gz MYQCFNSZTAUGFG-UHFFFAOYSA-N -1 1 295.335 2.791 20 10 CFCDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)nn1C ZINC000790989407 629278223 /nfs/dbraw/zinc/27/82/23/629278223.db2.gz CTAXJLSTCIHFDW-UHFFFAOYSA-N -1 1 285.706 2.539 20 10 CFCDMM CCC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000835075633 629372823 /nfs/dbraw/zinc/37/28/23/629372823.db2.gz XKPWVGCBAQTINL-UHFFFAOYSA-N -1 1 270.716 2.796 20 10 CFCDMM CCCC[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000800275619 630365675 /nfs/dbraw/zinc/36/56/75/630365675.db2.gz BQOTYUHHIOIWOQ-JTQLQIEISA-N -1 1 280.320 2.650 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(C(F)(F)F)[nH]1 ZINC000806566009 630813849 /nfs/dbraw/zinc/81/38/49/630813849.db2.gz WIFNTSZXEMYZPE-HYXAFXHYSA-N -1 1 278.280 2.522 20 10 CFCDMM CC[C@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837854388 631143160 /nfs/dbraw/zinc/14/31/60/631143160.db2.gz ZFYPBVYBOJOZIX-JQWIXIFHSA-N -1 1 292.331 2.650 20 10 CFCDMM CC[C@@H]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837854389 631143379 /nfs/dbraw/zinc/14/33/79/631143379.db2.gz ZFYPBVYBOJOZIX-PWSUYJOCSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H]1CCC[C@]1(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837928782 631152587 /nfs/dbraw/zinc/15/25/87/631152587.db2.gz JOAKGZMYPMKDBN-HWPZZCPQSA-N -1 1 292.331 2.650 20 10 CFCDMM CC[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000816506452 632474135 /nfs/dbraw/zinc/47/41/35/632474135.db2.gz CYDXKPJVVSXJEW-JTQLQIEISA-N -1 1 286.778 2.711 20 10 CFCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(CCO)nc1 ZINC000816612712 632494335 /nfs/dbraw/zinc/49/43/35/632494335.db2.gz WTYWLASGXRLSMH-UHFFFAOYSA-N -1 1 296.729 2.727 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1CO ZINC000857060506 635921328 /nfs/dbraw/zinc/92/13/28/635921328.db2.gz AMMZXLYXGIMRNT-ZJUUUORDSA-N -1 1 287.762 2.635 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000859815738 636706496 /nfs/dbraw/zinc/70/64/96/636706496.db2.gz RSFUSXRUSXMKCV-KOLCDFICSA-N -1 1 283.755 2.588 20 10 CFCDMM CN(C)c1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000081949675 650731081 /nfs/dbraw/zinc/73/10/81/650731081.db2.gz KPOPAZFWWSIOLI-UHFFFAOYSA-N -1 1 288.322 2.527 20 10 CFCDMM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCS1 ZINC000876687194 642972867 /nfs/dbraw/zinc/97/28/67/642972867.db2.gz GASMZYWNWLYIJX-MRVPVSSYSA-N -1 1 259.321 2.608 20 10 CFCDMM CCc1ncc(CNCc2ccc(F)c(F)c2[O-])o1 ZINC000877573093 643371387 /nfs/dbraw/zinc/37/13/87/643371387.db2.gz NOHZHBWIDTZSBS-UHFFFAOYSA-N -1 1 268.263 2.511 20 10 CFCDMM [O-]c1c(CN2CC(CC(F)F)C2)ccc(F)c1F ZINC000877598458 643389179 /nfs/dbraw/zinc/38/91/79/643389179.db2.gz GDBIJFRDCYPRHP-UHFFFAOYSA-N -1 1 263.234 2.757 20 10 CFCDMM O=C(NCCCCC1CC1)c1c(F)ccc(O)c1[O-] ZINC000881435989 644974027 /nfs/dbraw/zinc/97/40/27/644974027.db2.gz OBHIWKBDJDBACO-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM CCc1nnc(CN[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886612634 647067361 /nfs/dbraw/zinc/06/73/61/647067361.db2.gz QFJJVEBEEDPCLC-QMMMGPOBSA-N -1 1 281.356 2.796 20 10 CFCDMM CCc1nc(CN[C@@H](C)c2c([O-])cccc2F)co1 ZINC000886620661 647072524 /nfs/dbraw/zinc/07/25/24/647072524.db2.gz PNUXJRIENPGDAN-VIFPVBQESA-N -1 1 264.300 2.933 20 10 CFCDMM CO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000300045673 647300660 /nfs/dbraw/zinc/30/06/60/647300660.db2.gz NESAHECIIHYVTE-SNVBAGLBSA-N -1 1 276.163 2.920 20 10 CFCDMM C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485163 770721546 /nfs/dbraw/zinc/72/15/46/770721546.db2.gz RSISGEGPUXGISE-UWVGGRQHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485163 770721556 /nfs/dbraw/zinc/72/15/56/770721556.db2.gz RSISGEGPUXGISE-UWVGGRQHSA-N -1 1 283.755 2.588 20 10 CFCDMM CN1c2ccccc2C(=O)N[C@H]1c1cccc(Cl)c1[O-] ZINC000124691797 776215337 /nfs/dbraw/zinc/21/53/37/776215337.db2.gz LBGSAOZTLLVPPT-CQSZACIVSA-N -1 1 288.734 2.924 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001231447173 777221750 /nfs/dbraw/zinc/22/17/50/777221750.db2.gz OTLMIUVHUSRPOE-BETUJISGSA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001231447173 777221759 /nfs/dbraw/zinc/22/17/59/777221759.db2.gz OTLMIUVHUSRPOE-BETUJISGSA-N -1 1 275.348 2.712 20 10 CFCDMM Cc1nc2c(o1)CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232263678 777497646 /nfs/dbraw/zinc/49/76/46/777497646.db2.gz CTXMZEVKXQSPMK-UHFFFAOYSA-N -1 1 294.738 2.606 20 10 CFCDMM CC(C)[C@H]1COCCN1Cc1c([O-])ccc(F)c1F ZINC001233335326 777892503 /nfs/dbraw/zinc/89/25/03/777892503.db2.gz QJVVTHOZHZCBIB-GFCCVEGCSA-N -1 1 271.307 2.527 20 10 CFCDMM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001233332759 777894634 /nfs/dbraw/zinc/89/46/34/777894634.db2.gz WRIBAVTTXMABEI-QMTHXVAHSA-N -1 1 283.318 2.671 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1c1ncccn1 ZINC001233336306 777897246 /nfs/dbraw/zinc/89/72/46/777897246.db2.gz HHKRAPLRNAXYGG-LBPRGKRZSA-N -1 1 291.301 2.798 20 10 CFCDMM CN(Cc1cscn1)Cc1c([O-])ccc(F)c1F ZINC001233335516 777897306 /nfs/dbraw/zinc/89/73/06/777897306.db2.gz YZFPFKLIRHLPCN-UHFFFAOYSA-N -1 1 270.304 2.759 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC2(C1)C[C@H](F)CS2 ZINC001233335870 777897669 /nfs/dbraw/zinc/89/76/69/777897669.db2.gz PFJUGJHOIPLKNS-QMMMGPOBSA-N -1 1 289.322 2.700 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)Cc1ccco1 ZINC001234475670 778233515 /nfs/dbraw/zinc/23/35/15/778233515.db2.gz IFKDALZEEOOEQY-VIFPVBQESA-N -1 1 276.288 2.903 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CCC(C)(C)O1 ZINC001234474171 778233846 /nfs/dbraw/zinc/23/38/46/778233846.db2.gz OOVMAUTXSFMIKX-JTQLQIEISA-N -1 1 280.320 2.637 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCSCC1 ZINC001234473334 778234054 /nfs/dbraw/zinc/23/40/54/778234054.db2.gz DBXBZZQQENYYJH-UHFFFAOYSA-N -1 1 268.334 2.575 20 10 CFCDMM CN(Cc1cc(Cl)c(Cl)cc1[O-])C1COC1 ZINC001236797243 778940916 /nfs/dbraw/zinc/94/09/16/778940916.db2.gz WMXSXHPXTCTVFG-UHFFFAOYSA-N -1 1 262.136 2.530 20 10 CFCDMM COc1cc([O-])c(CN2C[C@@H](F)[C@@H](F)C2)c(Cl)c1 ZINC001236799083 778943936 /nfs/dbraw/zinc/94/39/36/778943936.db2.gz RCBDCBSXCISSKD-PHIMTYICSA-N -1 1 277.698 2.546 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC(F)C1 ZINC001237077108 779004711 /nfs/dbraw/zinc/00/47/11/779004711.db2.gz CXKABIDZUNDAKT-UHFFFAOYSA-N -1 1 250.100 2.853 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CC(O)C2)C1 ZINC001237078637 779006729 /nfs/dbraw/zinc/00/67/29/779006729.db2.gz VSPYDHSXJYORCW-UHFFFAOYSA-N -1 1 288.174 2.656 20 10 CFCDMM C[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCCC1=O ZINC001237119125 779016127 /nfs/dbraw/zinc/01/61/27/779016127.db2.gz BCVWHPNGAKVQAH-VIFPVBQESA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001237801736 779181289 /nfs/dbraw/zinc/18/12/89/779181289.db2.gz VEKQEMZWGKOMAU-RNCFNFMXSA-N -1 1 285.746 2.796 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CC[C@]12CCOC2 ZINC001237941424 779212960 /nfs/dbraw/zinc/21/29/60/779212960.db2.gz VPWBJYSMXIJPEV-CYBMUJFWSA-N -1 1 271.719 2.550 20 10 CFCDMM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1cscn1 ZINC000703286715 781003393 /nfs/dbraw/zinc/00/33/93/781003393.db2.gz PXTSOEFKVCUWHA-SSDOTTSWSA-N -1 1 270.304 2.978 20 10 CFCDMM CCN(Cc1c([O-])cccc1F)CC(F)(F)F ZINC001137839077 781164251 /nfs/dbraw/zinc/16/42/51/781164251.db2.gz QJCSNBAZGHYREF-UHFFFAOYSA-N -1 1 251.223 2.916 20 10 CFCDMM CCCOc1ccc(C[N@H+]2CCO[C@H](CC)C2)c(O)c1 ZINC000132020305 377792025 /nfs/dbraw/zinc/79/20/25/377792025.db2.gz IBDIFGHBSKEXBY-CQSZACIVSA-N -1 1 279.380 2.792 20 10 CFCDMM C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000132959398 377890811 /nfs/dbraw/zinc/89/08/11/377890811.db2.gz ZFYOGIBWOQXIMA-JTQLQIEISA-N -1 1 255.745 2.656 20 10 CFCDMM COc1cc(Cl)cc(CN(C(C)C)C2COC2)c1O ZINC000296181855 381288800 /nfs/dbraw/zinc/28/88/00/381288800.db2.gz XUFYCTWCWBSFKU-UHFFFAOYSA-N -1 1 285.771 2.663 20 10 CFCDMM CC[C@@H](C)N(CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171419 280102822 /nfs/dbraw/zinc/10/28/22/280102822.db2.gz GWRAGJIWTDSRLB-SNVBAGLBSA-N -1 1 285.771 2.819 20 10 CFCDMM CC[C@@H](NCc1cnn(CC)n1)c1cccc(Cl)c1[O-] ZINC000527923062 330295960 /nfs/dbraw/zinc/29/59/60/330295960.db2.gz IRDDSHMWARNABW-CYBMUJFWSA-N -1 1 294.786 2.898 20 10 CFCDMM CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277616076 519874141 /nfs/dbraw/zinc/87/41/41/519874141.db2.gz VSIWFJVGTMMSKY-UHFFFAOYSA-N -1 1 272.142 2.571 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCCCCC1 ZINC000276739995 526576806 /nfs/dbraw/zinc/57/68/06/526576806.db2.gz UXHXWXUDLXXHJH-UHFFFAOYSA-N -1 1 267.300 2.643 20 10 CFCDMM C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1ccccc1O ZINC000731843572 574130411 /nfs/dbraw/zinc/13/04/11/574130411.db2.gz RAWWQLVYEHOWES-ZDUSSCGKSA-N -1 1 290.407 2.661 20 10 CFCDMM CN(Cc1ccccc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737493504 574144821 /nfs/dbraw/zinc/14/48/21/574144821.db2.gz BTHDLUMTKOIKJV-HNNXBMFYSA-N -1 1 271.316 2.650 20 10 CFCDMM C[N@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739631849 574241273 /nfs/dbraw/zinc/24/12/73/574241273.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N -1 1 285.299 2.808 20 10 CFCDMM C[N@@H+](CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000739631849 574241276 /nfs/dbraw/zinc/24/12/76/574241276.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N -1 1 285.299 2.808 20 10 CFCDMM CN(CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1O ZINC000739631849 574241279 /nfs/dbraw/zinc/24/12/79/574241279.db2.gz KKFUOAQIBSVKSN-UHFFFAOYSA-N -1 1 285.299 2.808 20 10 CFCDMM O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834222218 605557199 /nfs/dbraw/zinc/55/71/99/605557199.db2.gz XVOHOMXPGUVYEH-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834222218 605557202 /nfs/dbraw/zinc/55/72/02/605557202.db2.gz XVOHOMXPGUVYEH-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890760235 617836112 /nfs/dbraw/zinc/83/61/12/617836112.db2.gz LGIIZZSLUBYBMJ-LURJTMIESA-N -1 1 281.661 2.860 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1c2ccccc2C[C@H]1CO ZINC000895241534 618493993 /nfs/dbraw/zinc/49/39/93/618493993.db2.gz MFXZSPQZKIYASN-ZDUSSCGKSA-N -1 1 291.297 2.594 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625800 618717470 /nfs/dbraw/zinc/71/74/70/618717470.db2.gz UEFQCLPGPBHIAL-ZJUUUORDSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625800 618717471 /nfs/dbraw/zinc/71/74/71/618717471.db2.gz UEFQCLPGPBHIAL-ZJUUUORDSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625800 618717473 /nfs/dbraw/zinc/71/74/73/618717473.db2.gz UEFQCLPGPBHIAL-ZJUUUORDSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625796 618717498 /nfs/dbraw/zinc/71/74/98/618717498.db2.gz UEFQCLPGPBHIAL-UWVGGRQHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625796 618717500 /nfs/dbraw/zinc/71/75/00/618717500.db2.gz UEFQCLPGPBHIAL-UWVGGRQHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311625796 618717501 /nfs/dbraw/zinc/71/75/01/618717501.db2.gz UEFQCLPGPBHIAL-UWVGGRQHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625794 618717769 /nfs/dbraw/zinc/71/77/69/618717769.db2.gz UEFQCLPGPBHIAL-NXEZZACHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625794 618717770 /nfs/dbraw/zinc/71/77/70/618717770.db2.gz UEFQCLPGPBHIAL-NXEZZACHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625794 618717772 /nfs/dbraw/zinc/71/77/72/618717772.db2.gz UEFQCLPGPBHIAL-NXEZZACHSA-N -1 1 283.755 2.588 20 10 CFCDMM CC[C@@H](C)CONC(=O)NCc1cccc(Cl)c1[O-] ZINC000895013617 619526539 /nfs/dbraw/zinc/52/65/39/619526539.db2.gz VRBIBFIACVQTCX-SECBINFHSA-N -1 1 286.759 2.823 20 10 CFCDMM O=C(NCC1=CCCC1)NCc1cccc(Cl)c1[O-] ZINC000895845219 619618357 /nfs/dbraw/zinc/61/83/57/619618357.db2.gz MFJQZMZJNLUYOW-UHFFFAOYSA-N -1 1 280.755 2.955 20 10 CFCDMM [O-]c1c(CN[C@H](c2ncccn2)C2CC2)ccc(F)c1F ZINC000896596060 619771137 /nfs/dbraw/zinc/77/11/37/619771137.db2.gz BUSNCNGSVVRKTM-ZDUSSCGKSA-N -1 1 291.301 2.701 20 10 CFCDMM [O-]c1cccc(F)c1CNCc1nnc(C2CC2)s1 ZINC000896642932 619777884 /nfs/dbraw/zinc/77/78/84/619777884.db2.gz SKUYVVQJNHPXCY-UHFFFAOYSA-N -1 1 279.340 2.550 20 10 CFCDMM CC(C)n1cc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000898218551 620347119 /nfs/dbraw/zinc/34/71/19/620347119.db2.gz JTUMIAVEDJOIOF-UHFFFAOYSA-N -1 1 280.759 2.508 20 10 CFCDMM CC(C)Cc1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000899341076 620546952 /nfs/dbraw/zinc/54/69/52/620546952.db2.gz SMKGYINPLJURCI-IZZDOVSWSA-N -1 1 278.402 2.769 20 10 CFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]2C2CC2)c1[O-] ZINC000824649062 623539182 /nfs/dbraw/zinc/53/91/82/623539182.db2.gz AXYSEOXUNJMFOD-LLVKDONJSA-N -1 1 282.727 2.938 20 10 CFCDMM O=C(NCCC1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000825441439 623694969 /nfs/dbraw/zinc/69/49/69/623694969.db2.gz RMAZFAMLZGGJPP-UHFFFAOYSA-N -1 1 281.327 2.937 20 10 CFCDMM CC(C)(C)CCS(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184397 624658772 /nfs/dbraw/zinc/65/87/72/624658772.db2.gz CMKZWWUDWHZYEU-UHFFFAOYSA-N -1 1 293.335 2.848 20 10 CFCDMM O=C(/C=C\C1CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000830797406 624875799 /nfs/dbraw/zinc/87/57/99/624875799.db2.gz JYMMXDZWDIVAHQ-YVMONPNESA-N -1 1 290.315 2.570 20 10 CFCDMM CN(Cc1ccc[nH]1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769541445 627454151 /nfs/dbraw/zinc/45/41/51/627454151.db2.gz BILNYHFZOQIEBR-UHFFFAOYSA-N -1 1 295.726 2.914 20 10 CFCDMM CCn1nc(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000769718355 627469262 /nfs/dbraw/zinc/46/92/62/627469262.db2.gz KTTOVMQWAIYFDY-YRNVUSSQSA-N -1 1 289.385 2.545 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cscc1Cl ZINC000771837745 627635944 /nfs/dbraw/zinc/63/59/44/627635944.db2.gz MATJKHRJFAIKEQ-LZCJLJQNSA-N -1 1 261.780 2.890 20 10 CFCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776747830 628174282 /nfs/dbraw/zinc/17/42/82/628174282.db2.gz NEXRGZZTNHYBJX-UHFFFAOYSA-N -1 1 293.344 2.510 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc2c1OCC2 ZINC000782881456 628661542 /nfs/dbraw/zinc/66/15/42/628661542.db2.gz UOWFWXXQXPSLLY-WEVVVXLNSA-N -1 1 297.788 2.764 20 10 CFCDMM CC(C(=O)OCC(=O)c1ccc([O-])c(O)c1)=C1CCCC1 ZINC000784071513 628772035 /nfs/dbraw/zinc/77/20/35/628772035.db2.gz SACLGDUEXFXRJG-UHFFFAOYSA-N -1 1 290.315 2.714 20 10 CFCDMM CCN(Cc1cccs1)C(=O)c1c([O-])c(O)ccc1F ZINC000789955249 629199733 /nfs/dbraw/zinc/19/97/33/629199733.db2.gz WCKULDVMRALPGO-UHFFFAOYSA-N -1 1 295.335 2.961 20 10 CFCDMM CC(C)CC1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000790071202 629208216 /nfs/dbraw/zinc/20/82/16/629208216.db2.gz QDMXDPHVOMKNCE-UHFFFAOYSA-N -1 1 281.327 2.793 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccsc1Cl ZINC000790100792 629210813 /nfs/dbraw/zinc/21/08/13/629210813.db2.gz IILFJUKJFICAJS-HYXAFXHYSA-N -1 1 261.780 2.890 20 10 CFCDMM COc1nn(C)cc1NCc1c([O-])ccc(Cl)c1F ZINC000790990563 629278359 /nfs/dbraw/zinc/27/83/59/629278359.db2.gz GBGKWOONNKOSRE-UHFFFAOYSA-N -1 1 285.706 2.539 20 10 CFCDMM C[C@@H]1C[C@@H](C)N1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220224 629507678 /nfs/dbraw/zinc/50/76/78/629507678.db2.gz LZSNYICUXLSQQU-HTQZYQBOSA-N -1 1 270.716 2.937 20 10 CFCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(CO)cn1 ZINC000816598464 632491910 /nfs/dbraw/zinc/49/19/10/632491910.db2.gz CZPFZGLQKUCSSS-UHFFFAOYSA-N -1 1 282.702 2.684 20 10 CFCDMM C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000816649323 632503834 /nfs/dbraw/zinc/50/38/34/632503834.db2.gz XLFWGMQWTBPXKJ-BDAKNGLRSA-N -1 1 270.170 2.995 20 10 CFCDMM C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639756 633305574 /nfs/dbraw/zinc/30/55/74/633305574.db2.gz LAGDJBUOVIUHCI-JIMOISOXSA-N -1 1 295.354 2.756 20 10 CFCDMM Cn1c(NCc2c([O-])ccc(Cl)c2F)nnc1C1CC1 ZINC000849347252 633624802 /nfs/dbraw/zinc/62/48/02/633624802.db2.gz YYZAHNCDTUVBEB-UHFFFAOYSA-N -1 1 296.733 2.803 20 10 CFCDMM O=C(NCc1cc(Cl)ccc1O)c1c([O-])cccc1F ZINC000857548404 635983444 /nfs/dbraw/zinc/98/34/44/635983444.db2.gz LVMBSOLSDUQAEI-UHFFFAOYSA-N -1 1 295.697 2.820 20 10 CFCDMM CN1CCCc2cc(C=C3SC(=S)[N-]C3=O)ccc21 ZINC000194574787 636791193 /nfs/dbraw/zinc/79/11/93/636791193.db2.gz SWTUPVMZHSVNNH-XYOKQWHBSA-N -1 1 290.413 2.558 20 10 CFCDMM O=C(NC[C@@H]1CCCC12CC2)c1c(F)ccc(O)c1[O-] ZINC000863945609 637820397 /nfs/dbraw/zinc/82/03/97/637820397.db2.gz KZRVEZRBWYVGCS-VIFPVBQESA-N -1 1 279.311 2.547 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1nncs1 ZINC000191510347 650506047 /nfs/dbraw/zinc/50/60/47/650506047.db2.gz ODNBZKQRXABFPY-UHFFFAOYSA-N -1 1 259.693 2.648 20 10 CFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000080358284 650667324 /nfs/dbraw/zinc/66/73/24/650667324.db2.gz VIYVUHWVAOXYCI-UHFFFAOYSA-N -1 1 298.751 2.550 20 10 CFCDMM CCc1cc(NCc2cc(F)cc(F)c2[O-])nn1C ZINC000883147234 645625980 /nfs/dbraw/zinc/62/59/80/645625980.db2.gz OUEFNSXHNIMVGS-UHFFFAOYSA-N -1 1 267.279 2.578 20 10 CFCDMM COc1cc([O-])c(CN2CCCCO2)c(Cl)c1 ZINC001236799119 778942402 /nfs/dbraw/zinc/94/24/02/778942402.db2.gz RPXJUBZUJVMGSP-UHFFFAOYSA-N -1 1 257.717 2.582 20 10 CFCDMM C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485165 770721852 /nfs/dbraw/zinc/72/18/52/770721852.db2.gz RSISGEGPUXGISE-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485165 770721857 /nfs/dbraw/zinc/72/18/57/770721857.db2.gz RSISGEGPUXGISE-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM CC(C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196829 776749476 /nfs/dbraw/zinc/74/94/76/776749476.db2.gz IWILYLCWTFTGCI-UHFFFAOYSA-N -1 1 298.294 2.660 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001231448773 777221147 /nfs/dbraw/zinc/22/11/47/777221147.db2.gz BBQGDYHHYJMATP-YPMHNXCESA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c([O-])c1 ZINC001231448773 777221156 /nfs/dbraw/zinc/22/11/56/777221156.db2.gz BBQGDYHHYJMATP-YPMHNXCESA-N -1 1 275.348 2.712 20 10 CFCDMM C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455280 777222595 /nfs/dbraw/zinc/22/25/95/777222595.db2.gz MGNXMKQALDLKLQ-GHMZBOCLSA-N -1 1 263.337 2.568 20 10 CFCDMM CCC(CC)[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453317 777222615 /nfs/dbraw/zinc/22/26/15/777222615.db2.gz GKTYHSNFEFMJKH-UHFFFAOYSA-N -1 1 251.326 2.711 20 10 CFCDMM CCC(CC)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453317 777222619 /nfs/dbraw/zinc/22/26/19/777222619.db2.gz GKTYHSNFEFMJKH-UHFFFAOYSA-N -1 1 251.326 2.711 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CCCC1 ZINC001231455504 777222782 /nfs/dbraw/zinc/22/27/82/777222782.db2.gz QHAOKGGGQZYJPA-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CCCC1 ZINC001231455504 777222787 /nfs/dbraw/zinc/22/27/87/777222787.db2.gz QHAOKGGGQZYJPA-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM CN(Cc1ccno1)Cc1cccc(Cl)c1[O-] ZINC001231914224 777382886 /nfs/dbraw/zinc/38/28/86/777382886.db2.gz IXEHQBWHIBEYGD-UHFFFAOYSA-N -1 1 252.701 2.666 20 10 CFCDMM [O-]c1cc(O)c(CN2CCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232260988 777496515 /nfs/dbraw/zinc/49/65/15/777496515.db2.gz UPZCWFOLUKLHGR-LLVKDONJSA-N -1 1 295.688 2.930 20 10 CFCDMM CCCCOC1CN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233334362 777895018 /nfs/dbraw/zinc/89/50/18/777895018.db2.gz CULWKPPCHQMMKA-UHFFFAOYSA-N -1 1 271.307 2.671 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC[C@@H]1C ZINC001233495955 777968440 /nfs/dbraw/zinc/96/84/40/777968440.db2.gz OAYDRSADZPYJLR-ZUZCIYMTSA-N -1 1 294.347 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](CC)COC ZINC001233497648 777968851 /nfs/dbraw/zinc/96/88/51/777968851.db2.gz QKMXEYSBQZKZQB-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCOC1 ZINC001233497751 777971147 /nfs/dbraw/zinc/97/11/47/777971147.db2.gz QZVIMOVDVFKEJU-JTQLQIEISA-N -1 1 280.320 2.638 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1nccs1 ZINC001234475059 778233401 /nfs/dbraw/zinc/23/34/01/778233401.db2.gz COOWUXXZMLSQNC-MRVPVSSYSA-N -1 1 279.317 2.897 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCc2cccnc21 ZINC001234473335 778234131 /nfs/dbraw/zinc/23/41/31/778234131.db2.gz DCUMTEQGNSJFQV-AWEZNQCLSA-N -1 1 285.299 2.762 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001234476609 778235338 /nfs/dbraw/zinc/23/53/38/778235338.db2.gz NBOVOSNGTPMXLT-ISTVAULSSA-N -1 1 262.305 2.868 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001142509103 778395650 /nfs/dbraw/zinc/39/56/50/778395650.db2.gz WXVKPIHKGCBFKL-NSHDSACASA-N -1 1 281.224 2.850 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCc2occc2C1 ZINC001142527410 778402559 /nfs/dbraw/zinc/40/25/59/778402559.db2.gz UCCABEZRUGNWKO-UHFFFAOYSA-N -1 1 265.259 2.822 20 10 CFCDMM COc1cc([O-])c(CN(C)Cc2ccon2)c(Cl)c1 ZINC001236800655 778943891 /nfs/dbraw/zinc/94/38/91/778943891.db2.gz ARHXSVDQNVMBNF-UHFFFAOYSA-N -1 1 282.727 2.674 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCO1 ZINC001237078564 779006266 /nfs/dbraw/zinc/00/62/66/779006266.db2.gz USFHRCUZGKTGQT-MRVPVSSYSA-N -1 1 276.163 2.920 20 10 CFCDMM CN(Cc1cnn(C)c1)Cc1c([O-])ccc(F)c1Cl ZINC001237122052 779017436 /nfs/dbraw/zinc/01/74/36/779017436.db2.gz RFDDOMHVNKITBS-UHFFFAOYSA-N -1 1 283.734 2.550 20 10 CFCDMM CN(Cc1ccon1)Cc1c([O-])ccc(F)c1Cl ZINC001237127251 779021761 /nfs/dbraw/zinc/02/17/61/779021761.db2.gz XSGLURQCQKTXQA-UHFFFAOYSA-N -1 1 270.691 2.805 20 10 CFCDMM C[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237935206 779211468 /nfs/dbraw/zinc/21/14/68/779211468.db2.gz RIRJVMCETLVJGG-QMMMGPOBSA-N -1 1 271.719 2.596 20 10 CFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ncccc1F ZINC001128604556 780664010 /nfs/dbraw/zinc/66/40/10/780664010.db2.gz XORUFKBZRXXOQP-UHFFFAOYSA-N -1 1 292.657 2.663 20 10 CFCDMM C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295326955 290636362 /nfs/dbraw/zinc/63/63/62/290636362.db2.gz TUTWVRVCRRLAKO-KYZUINATSA-N -1 1 267.300 2.545 20 10 CFCDMM CCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000127392226 377279015 /nfs/dbraw/zinc/27/90/15/377279015.db2.gz KTHGCWSLMDJFED-UHFFFAOYSA-N -1 1 285.771 2.717 20 10 CFCDMM CCC[N@@H+](Cc1nn(CC)nc1C)Cc1ccccc1O ZINC000294733006 382526928 /nfs/dbraw/zinc/52/69/28/382526928.db2.gz GWXQVYKSKLIVSL-UHFFFAOYSA-N -1 1 288.395 2.724 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCC(=O)[C@H](C)C2)c1[O-] ZINC000169140204 518277757 /nfs/dbraw/zinc/27/77/57/518277757.db2.gz SNKPGWVXIURQCI-SECBINFHSA-N -1 1 295.766 2.659 20 10 CFCDMM CN(CC1CCCCC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000278685156 522654142 /nfs/dbraw/zinc/65/41/42/522654142.db2.gz QQIPBOIVISOXHI-UHFFFAOYSA-N -1 1 281.327 2.889 20 10 CFCDMM O=C(CSc1ccc(Cl)nn1)c1ccc([O-])c(O)c1 ZINC000747806556 574213189 /nfs/dbraw/zinc/21/31/89/574213189.db2.gz TUNOWVLATXRIQJ-UHFFFAOYSA-N -1 1 296.735 2.516 20 10 CFCDMM CCN(CCC[NH2+]Cc1c([O-])cccc1Cl)C(=O)[O-] ZINC000739422020 574213351 /nfs/dbraw/zinc/21/33/51/574213351.db2.gz SRXUFFJNJIDUPU-UHFFFAOYSA-N -1 1 286.759 2.525 20 10 CFCDMM O=C([O-])N1CCC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000740512911 574252133 /nfs/dbraw/zinc/25/21/33/574252133.db2.gz QTDODEBPPWLQIX-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM COC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)o1 ZINC000734159373 574277720 /nfs/dbraw/zinc/27/77/20/574277720.db2.gz DFXGGJUEZZCEDL-UHFFFAOYSA-N -1 1 295.722 2.715 20 10 CFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000833249493 601007090 /nfs/dbraw/zinc/00/70/90/601007090.db2.gz RUCJFARCEODQEW-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])CC1CCC1 ZINC000833249493 601007093 /nfs/dbraw/zinc/00/70/93/601007093.db2.gz RUCJFARCEODQEW-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000829701582 601414576 /nfs/dbraw/zinc/41/45/76/601414576.db2.gz HJROKNKUBXMDKU-UHFFFAOYSA-N -1 1 299.754 2.545 20 10 CFCDMM CS[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759353 617836600 /nfs/dbraw/zinc/83/66/00/617836600.db2.gz AFVUQUBPVTWYBE-MRVPVSSYSA-N -1 1 273.785 2.803 20 10 CFCDMM CC(C)[C@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759959 617838540 /nfs/dbraw/zinc/83/85/40/617838540.db2.gz XFLWCIBCECQYTD-GHMZBOCLSA-N -1 1 267.756 2.954 20 10 CFCDMM CO[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760888 617838594 /nfs/dbraw/zinc/83/85/94/617838594.db2.gz CYYRWIIWSUQTDV-GFCCVEGCSA-N -1 1 285.771 2.723 20 10 CFCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000890761746 617840940 /nfs/dbraw/zinc/84/09/40/617840940.db2.gz WJFURBUTNXAQPX-MFKMUULPSA-N -1 1 297.782 2.867 20 10 CFCDMM CC1(C(=O)NCc2cccc(Cl)c2[O-])CCC(=O)CC1 ZINC000890760951 617839511 /nfs/dbraw/zinc/83/95/11/617839511.db2.gz GGVDBVJHEMDMPH-UHFFFAOYSA-N -1 1 295.766 2.811 20 10 CFCDMM CC/C=C(\F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761099 617839972 /nfs/dbraw/zinc/83/99/72/617839972.db2.gz KPGIOTSLUZNMQG-WMZJFQQLSA-N -1 1 257.692 2.925 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@]12CCC[C@H]1OCC2 ZINC000890763641 617843588 /nfs/dbraw/zinc/84/35/88/617843588.db2.gz ZGRJVOBTDPOKTH-DOMZBBRYSA-N -1 1 295.766 2.621 20 10 CFCDMM O=C1[N-]C(=S)SC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000255491201 617997116 /nfs/dbraw/zinc/99/71/16/617997116.db2.gz VGNKVALBVHLGPK-UXBLZVDNSA-N -1 1 287.369 2.566 20 10 CFCDMM CC[C@H](Nc1cnn(CCO)c1)c1cccc(Cl)c1[O-] ZINC000806155145 618107525 /nfs/dbraw/zinc/10/75/25/618107525.db2.gz NPMAFRGWHTTXCW-ZDUSSCGKSA-N -1 1 295.770 2.798 20 10 CFCDMM CC(C)(F)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895775669 619603983 /nfs/dbraw/zinc/60/39/83/619603983.db2.gz RULJORSABYAWOA-UHFFFAOYSA-N -1 1 288.750 2.983 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000897684507 620271409 /nfs/dbraw/zinc/27/14/09/620271409.db2.gz QKKXVWHWZOEOAC-RDDDGLTNSA-N -1 1 276.163 2.512 20 10 CFCDMM CC(C)n1ncnc1CNCc1cccc(Cl)c1[O-] ZINC000898218704 620347180 /nfs/dbraw/zinc/34/71/80/620347180.db2.gz NDAYIBVYICKSSL-UHFFFAOYSA-N -1 1 280.759 2.508 20 10 CFCDMM CCC[C@H](C)S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327293 622220010 /nfs/dbraw/zinc/22/00/10/622220010.db2.gz GTSMDRBEEMBPQA-VIFPVBQESA-N -1 1 291.800 2.654 20 10 CFCDMM Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000171764707 623242243 /nfs/dbraw/zinc/24/22/43/623242243.db2.gz JVVRNSXIANJHJP-WEVVVXLNSA-N -1 1 253.323 2.623 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CCn2ccnc21 ZINC000824527361 623517328 /nfs/dbraw/zinc/51/73/28/623517328.db2.gz USGPOUHHIGQKPO-LLVKDONJSA-N -1 1 281.718 2.616 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1nc2n(n1)CCCC2 ZINC000834482922 625693281 /nfs/dbraw/zinc/69/32/81/625693281.db2.gz WCGTUCFPDYOLEV-UHFFFAOYSA-N -1 1 296.733 2.725 20 10 CFCDMM C[C@H]1CC[C@@]2(CCN(C(=O)c3c([O-])c(O)ccc3F)C2)C1 ZINC000828183765 624195199 /nfs/dbraw/zinc/19/51/99/624195199.db2.gz HLCUTLDLEBEQCR-MGPLVRAMSA-N -1 1 293.338 2.889 20 10 CFCDMM C[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CC(C)(C)C1 ZINC000828279771 624221165 /nfs/dbraw/zinc/22/11/65/624221165.db2.gz BORSKWLXCKPRKE-SECBINFHSA-N -1 1 281.327 2.745 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cncc2ccccc12 ZINC000772802132 627747362 /nfs/dbraw/zinc/74/73/62/627747362.db2.gz KWEJAQXLGYCIKX-WZUFQYTHSA-N -1 1 272.354 2.724 20 10 CFCDMM Cc1cccc2c1C(=O)N[C@H](c1cccc(F)c1[O-])N2 ZINC000778520293 628312008 /nfs/dbraw/zinc/31/20/08/628312008.db2.gz SDRQLOFYSGDIKF-CQSZACIVSA-N -1 1 272.279 2.694 20 10 CFCDMM O=C1N[C@H](c2cccc(F)c2[O-])Nc2cc(F)ccc21 ZINC000778520137 628312278 /nfs/dbraw/zinc/31/22/78/628312278.db2.gz OUDRTMZJJWALCQ-CYBMUJFWSA-N -1 1 276.242 2.525 20 10 CFCDMM CC(C)(C)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783744237 628741182 /nfs/dbraw/zinc/74/11/82/628741182.db2.gz JVVVDHVBLQFDMS-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789987765 629202112 /nfs/dbraw/zinc/20/21/12/629202112.db2.gz VUSWMQMCVRUKIJ-CMPLNLGQSA-N -1 1 293.338 2.936 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccsc1Cl ZINC000790100787 629210615 /nfs/dbraw/zinc/21/06/15/629210615.db2.gz IILFJUKJFICAJS-HWKANZROSA-N -1 1 261.780 2.890 20 10 CFCDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000799913786 630353380 /nfs/dbraw/zinc/35/33/80/630353380.db2.gz YPXWCGRXVPQTMH-UHFFFAOYSA-N -1 1 293.344 2.592 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](OC(F)F)C1 ZINC000802658457 630536651 /nfs/dbraw/zinc/53/66/51/630536651.db2.gz BXTPFDJQWBGDEM-VIFPVBQESA-N -1 1 295.688 2.998 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](C2CCC2)C1 ZINC000857332847 635966735 /nfs/dbraw/zinc/96/67/35/635966735.db2.gz IVXZHQIHZBLGGV-LLVKDONJSA-N -1 1 293.338 2.889 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/C=C/c1ccc(F)cc1 ZINC000158674472 650233166 /nfs/dbraw/zinc/23/31/66/650233166.db2.gz LDRZKOCUACZNRT-XZMAOYBGSA-N -1 1 265.334 2.871 20 10 CFCDMM CCC(F)(F)CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000858506943 636277354 /nfs/dbraw/zinc/27/73/54/636277354.db2.gz KDDFOYZOAVCYOO-SECBINFHSA-N -1 1 287.306 2.875 20 10 CFCDMM Cc1c(C#N)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000193141211 650626574 /nfs/dbraw/zinc/62/65/74/650626574.db2.gz SBNSXCLSEDYHRK-UHFFFAOYSA-N -1 1 268.272 2.530 20 10 CFCDMM O=C(COC(=O)C1CCC=CCC1)c1ccc([O-])c(O)c1 ZINC000873429087 642200981 /nfs/dbraw/zinc/20/09/81/642200981.db2.gz PBDDNRCDGOLABZ-UHFFFAOYSA-N -1 1 290.315 2.570 20 10 CFCDMM CCn1ncc(NCc2cc(F)cc(F)c2[O-])c1C ZINC000883203852 645661194 /nfs/dbraw/zinc/66/11/94/645661194.db2.gz MSFXNNHAFLGRHC-UHFFFAOYSA-N -1 1 267.279 2.807 20 10 CFCDMM C[C@@H](NCc1nn(C)cc1Cl)c1c([O-])cccc1F ZINC000886618936 647071599 /nfs/dbraw/zinc/07/15/99/647071599.db2.gz OZEFSDWPARRGSX-MRVPVSSYSA-N -1 1 283.734 2.769 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001231453643 777224200 /nfs/dbraw/zinc/22/42/00/777224200.db2.gz JOANJCOIBCXRCK-UHFFFAOYSA-N -1 1 275.348 2.857 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001231453643 777224206 /nfs/dbraw/zinc/22/42/06/777224206.db2.gz JOANJCOIBCXRCK-UHFFFAOYSA-N -1 1 275.348 2.857 20 10 CFCDMM CC(=O)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC001231913692 777383116 /nfs/dbraw/zinc/38/31/16/777383116.db2.gz PTYLFFNWICZPDP-LBPRGKRZSA-N -1 1 253.729 2.599 20 10 CFCDMM [O-]c1c(CN2C[C@H]3CC[C@@H]2CO3)cccc1C(F)(F)F ZINC001233420090 777946166 /nfs/dbraw/zinc/94/61/66/777946166.db2.gz ZCDOKMVCVIUXFP-GHMZBOCLSA-N -1 1 287.281 2.774 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CCCO1 ZINC001233498681 777970440 /nfs/dbraw/zinc/97/04/40/777970440.db2.gz UYVFRVNGMFRHET-JTQLQIEISA-N -1 1 280.320 2.638 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC(C)(C)C1 ZINC001234474973 778234084 /nfs/dbraw/zinc/23/40/84/778234084.db2.gz BHLBCHUPJWBKIN-JTQLQIEISA-N -1 1 280.320 2.637 20 10 CFCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793118 778939096 /nfs/dbraw/zinc/93/90/96/778939096.db2.gz IBDYKZVZZOUBNY-UHFFFAOYSA-N -1 1 274.147 2.864 20 10 CFCDMM COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c([O-])c1Cl ZINC001236801039 778942483 /nfs/dbraw/zinc/94/24/83/778942483.db2.gz CUUGJVSDOYYROS-PHIMTYICSA-N -1 1 295.766 2.750 20 10 CFCDMM O=C1CCCN(Cc2c([O-])ccc(F)c2Cl)C[C@H]1F ZINC001237120081 779017258 /nfs/dbraw/zinc/01/72/58/779017258.db2.gz ITANXBIWHLGGNN-SNVBAGLBSA-N -1 1 289.709 2.688 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOC2(CC2)C1 ZINC001237129347 779021082 /nfs/dbraw/zinc/02/10/82/779021082.db2.gz XPELHQSVODXCJG-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237131946 779022987 /nfs/dbraw/zinc/02/29/87/779022987.db2.gz YSBIGAAXGMBDQU-AWEZNQCLSA-N -1 1 285.746 2.940 20 10 CFCDMM CN(Cc1cncnc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800791 779182352 /nfs/dbraw/zinc/18/23/52/779182352.db2.gz CDZZHUVKQBHXFE-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM C[C@H]1COCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237807509 779184241 /nfs/dbraw/zinc/18/42/41/779184241.db2.gz KWHPNBWFDVDAER-SECBINFHSA-N -1 1 273.735 2.653 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237933564 779210295 /nfs/dbraw/zinc/21/02/95/779210295.db2.gz CRPPRKDXPCTAIX-QOSJWCAFSA-N -1 1 273.710 2.975 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CC2(C1)CCCCO2 ZINC001237935086 779210673 /nfs/dbraw/zinc/21/06/73/779210673.db2.gz QDJDTKYSVMSNSE-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM CC1(C)CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237940047 779211753 /nfs/dbraw/zinc/21/17/53/779211753.db2.gz AQALGBVEYUJMDE-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM CC[C@H]1COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237949446 779214968 /nfs/dbraw/zinc/21/49/68/779214968.db2.gz LZCDBRLGYDIOHP-JTQLQIEISA-N -1 1 273.735 2.796 20 10 CFCDMM CCc1nn(C)cc1NCc1cc(F)cc(F)c1[O-] ZINC000708495194 781291235 /nfs/dbraw/zinc/29/12/35/781291235.db2.gz TYETYOUYSVJCNX-UHFFFAOYSA-N -1 1 267.279 2.578 20 10 CFCDMM Cc1cc(CN[C@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187701288 382251915 /nfs/dbraw/zinc/25/19/15/382251915.db2.gz KNOIUDRUOUSRMF-MRVPVSSYSA-N -1 1 268.263 2.818 20 10 CFCDMM C[C@H](NCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372636 394034929 /nfs/dbraw/zinc/03/49/29/394034929.db2.gz GLPYJOYRUNQLNY-QMMMGPOBSA-N -1 1 279.321 2.608 20 10 CFCDMM CC(C)c1nnc(CN[C@H](C)c2ccc(F)c(F)c2[O-])[nH]1 ZINC000296464389 394309074 /nfs/dbraw/zinc/30/90/74/394309074.db2.gz NLISVWYDUDVKSJ-MRVPVSSYSA-N -1 1 296.321 2.763 20 10 CFCDMM C[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@H](C)C1 ZINC000295557362 299951116 /nfs/dbraw/zinc/95/11/16/299951116.db2.gz VGDNTEBFFQVOJK-VHSXEESVSA-N -1 1 281.327 2.745 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C)[C@H]2C)c1[O-] ZINC000155958993 518278767 /nfs/dbraw/zinc/27/87/67/518278767.db2.gz OGUJUSQMVCPQRD-MWLCHTKSSA-N -1 1 297.782 2.857 20 10 CFCDMM CCc1nnc(CNCc2cccc(Cl)c2[O-])s1 ZINC000290810973 522740762 /nfs/dbraw/zinc/74/07/62/522740762.db2.gz GBBOJPWNODIIQI-UHFFFAOYSA-N -1 1 283.784 2.749 20 10 CFCDMM O=C(NCCC1=CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000276511070 527626247 /nfs/dbraw/zinc/62/62/47/527626247.db2.gz JALPEJBCUOMQTJ-UHFFFAOYSA-N -1 1 279.311 2.857 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cc[nH]n2)c1[O-] ZINC000750045770 574322112 /nfs/dbraw/zinc/32/21/12/574322112.db2.gz WAXYPUWEBPCZQV-UHFFFAOYSA-N -1 1 293.754 2.603 20 10 CFCDMM C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086774915 598126650 /nfs/dbraw/zinc/12/66/50/598126650.db2.gz ZSQXDJVAXDHIPM-UHFFFAOYSA-N -1 1 278.135 2.606 20 10 CFCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000405364540 604649313 /nfs/dbraw/zinc/64/93/13/604649313.db2.gz SKFFBNLREPYNID-LBPRGKRZSA-N -1 1 295.766 2.732 20 10 CFCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC000833486552 605232354 /nfs/dbraw/zinc/23/23/54/605232354.db2.gz LYVWZIXKFCSHEH-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM C[C@H](C[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516395 605750508 /nfs/dbraw/zinc/75/05/08/605750508.db2.gz MMFJBXJYYLZKLM-SECBINFHSA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@H](C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516395 605750510 /nfs/dbraw/zinc/75/05/10/605750510.db2.gz MMFJBXJYYLZKLM-SECBINFHSA-N -1 1 283.755 2.731 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(F)(C2CC2)CC1 ZINC000900701173 620703298 /nfs/dbraw/zinc/70/32/98/620703298.db2.gz NTUNJHIFSUGEGF-UHFFFAOYSA-N -1 1 297.301 2.591 20 10 CFCDMM C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759714 617836616 /nfs/dbraw/zinc/83/66/16/617836616.db2.gz PEJJUNUVAFKVDO-UWVGGRQHSA-N -1 1 295.766 2.667 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](O)C1CCCCC1 ZINC000890759731 617837130 /nfs/dbraw/zinc/83/71/30/617837130.db2.gz PJLNRHYDKCWPFX-CQSZACIVSA-N -1 1 297.782 2.603 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]nc1C1CC1 ZINC000890760006 617838635 /nfs/dbraw/zinc/83/86/35/617838635.db2.gz YLYJHDLVQOUNHZ-UHFFFAOYSA-N -1 1 291.738 2.576 20 10 CFCDMM CCCCO[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757935 617835650 /nfs/dbraw/zinc/83/56/50/617835650.db2.gz NKNGEJLGYJPCDV-JTQLQIEISA-N -1 1 285.771 2.867 20 10 CFCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000176711278 618074312 /nfs/dbraw/zinc/07/43/12/618074312.db2.gz UOYXXYWVXZPTBL-UHFFFAOYSA-N -1 1 295.335 2.949 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1coc2ccccc12 ZINC000255340970 618206093 /nfs/dbraw/zinc/20/60/93/618206093.db2.gz HQJUZPNMTYFBMY-BJMVGYQFSA-N -1 1 261.327 2.922 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1coc2ccccc12 ZINC000160186935 618263047 /nfs/dbraw/zinc/26/30/47/618263047.db2.gz HQJUZPNMTYFBMY-YHYXMXQVSA-N -1 1 261.327 2.922 20 10 CFCDMM C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775984936 618402026 /nfs/dbraw/zinc/40/20/26/618402026.db2.gz ILORRTKTMIUPLR-UWVGGRQHSA-N -1 1 286.778 2.709 20 10 CFCDMM CC[C@H](C)CONC(=O)NCc1cccc(Cl)c1[O-] ZINC000895013618 619526352 /nfs/dbraw/zinc/52/63/52/619526352.db2.gz VRBIBFIACVQTCX-VIFPVBQESA-N -1 1 286.759 2.823 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cnc(C2CC2)nc1 ZINC000902090706 620976567 /nfs/dbraw/zinc/97/65/67/620976567.db2.gz QWVBTBLSDGZZEE-UHFFFAOYSA-N -1 1 277.274 2.950 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nnc([C@@H]2CCCO2)o1 ZINC000905408000 621760542 /nfs/dbraw/zinc/76/05/42/621760542.db2.gz LUTUHXFSBUGLMU-JTQLQIEISA-N -1 1 297.261 2.517 20 10 CFCDMM CC1(C)CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000832920155 625539729 /nfs/dbraw/zinc/53/97/29/625539729.db2.gz VEBRXTWCHMSGAV-SECBINFHSA-N -1 1 281.327 2.793 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])OCCCF ZINC000908329106 622220593 /nfs/dbraw/zinc/22/05/93/622220593.db2.gz PBBPONXLVIUHKI-UHFFFAOYSA-N -1 1 261.680 2.631 20 10 CFCDMM O=C1[N-]C(=S)SC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172677864 623298360 /nfs/dbraw/zinc/29/83/60/623298360.db2.gz VGNKVALBVHLGPK-POHAHGRESA-N -1 1 287.369 2.566 20 10 CFCDMM CC1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825530418 623709664 /nfs/dbraw/zinc/70/96/64/623709664.db2.gz RECFPLNPZPFNDH-UHFFFAOYSA-N -1 1 281.327 2.793 20 10 CFCDMM CCc1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000834478327 625692091 /nfs/dbraw/zinc/69/20/91/625692091.db2.gz BFUIRLIUXRIQRU-UHFFFAOYSA-N -1 1 271.679 2.742 20 10 CFCDMM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1nccn1C ZINC000827722918 624077161 /nfs/dbraw/zinc/07/71/61/624077161.db2.gz ZIEPRBUKCRQLDW-QMMMGPOBSA-N -1 1 283.734 2.769 20 10 CFCDMM C[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829902455 624579284 /nfs/dbraw/zinc/57/92/84/624579284.db2.gz GHNUXLGZXXHFHF-UWVGGRQHSA-N -1 1 281.327 2.936 20 10 CFCDMM Cc1ccc(F)cc1C=C1SC(=S)[N-]C1=O ZINC000182049641 625251454 /nfs/dbraw/zinc/25/14/54/625251454.db2.gz XEFOEWCZIMJEBA-UITAMQMPSA-N -1 1 253.323 2.623 20 10 CFCDMM C[C@@H](C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000086807756 626418825 /nfs/dbraw/zinc/41/88/25/626418825.db2.gz QTZICDPGRJANCB-ZETCQYMHSA-N -1 1 292.162 2.852 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC(CCO)C1 ZINC000839140104 626528391 /nfs/dbraw/zinc/52/83/91/626528391.db2.gz JSIQBAUELYRNID-UHFFFAOYSA-N -1 1 276.163 2.513 20 10 CFCDMM COCC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000839142907 626528704 /nfs/dbraw/zinc/52/87/04/626528704.db2.gz HEIFXAXEONCTAZ-UHFFFAOYSA-N -1 1 273.735 2.653 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ncc[nH]2)c1[O-] ZINC000851874142 634568905 /nfs/dbraw/zinc/56/89/05/634568905.db2.gz AISFENFWWBPXLQ-UHFFFAOYSA-N -1 1 293.754 2.603 20 10 CFCDMM CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000779220495 628361180 /nfs/dbraw/zinc/36/11/80/628361180.db2.gz CZZCWPNVKYRDID-POHAHGRESA-N -1 1 283.349 2.713 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1scnc1C1CC1 ZINC000782303201 628626328 /nfs/dbraw/zinc/62/63/28/628626328.db2.gz WQFDZIMCHLNLAY-CLTKARDFSA-N -1 1 268.388 2.509 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1scnc1C1CC1 ZINC000782303209 628626522 /nfs/dbraw/zinc/62/65/22/628626522.db2.gz WQFDZIMCHLNLAY-XVNBXDOJSA-N -1 1 268.388 2.509 20 10 CFCDMM C[C@@H]1CC/C(=C/C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784072149 628771976 /nfs/dbraw/zinc/77/19/76/628771976.db2.gz UYUVQKINDRLADN-PAKSIRSJSA-N -1 1 290.315 2.570 20 10 CFCDMM C[C@@H]1CC[C@@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784118092 628779030 /nfs/dbraw/zinc/77/90/30/628779030.db2.gz PUOVSAQRAJEDFK-GHMZBOCLSA-N -1 1 292.331 2.650 20 10 CFCDMM CC=C(C=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC ZINC000784215481 628791747 /nfs/dbraw/zinc/79/17/47/628791747.db2.gz ZVCCNUBTMSFEHZ-GQHUZBHDSA-N -1 1 290.315 2.736 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc2occc2c1 ZINC000794687721 629675311 /nfs/dbraw/zinc/67/53/11/629675311.db2.gz GNQYZNONZWNPAL-UXBLZVDNSA-N -1 1 261.327 2.922 20 10 CFCDMM Cc1noc(C2C[NH+](Cc3c(O)cc(C)cc3Cl)C2)n1 ZINC000840953674 631281187 /nfs/dbraw/zinc/28/11/87/631281187.db2.gz VRJXKJUZDPEIIM-UHFFFAOYSA-N -1 1 293.754 2.645 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@]2(CCSC2)C1 ZINC000843417312 631949205 /nfs/dbraw/zinc/94/92/05/631949205.db2.gz APWLYTUTJSIEAV-CQSZACIVSA-N -1 1 299.823 2.754 20 10 CFCDMM CCc1noc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000814255270 632046375 /nfs/dbraw/zinc/04/63/75/632046375.db2.gz DVXOSGADNMJADJ-UHFFFAOYSA-N -1 1 271.679 2.742 20 10 CFCDMM C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@@H]1C ZINC000816649326 632503383 /nfs/dbraw/zinc/50/33/83/632503383.db2.gz XLFWGMQWTBPXKJ-RKDXNWHRSA-N -1 1 270.170 2.995 20 10 CFCDMM CC(C)C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000818630661 632885408 /nfs/dbraw/zinc/88/54/08/632885408.db2.gz XMSFFBIWGJYLFR-NSHDSACASA-N -1 1 285.771 2.882 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1cnn(CCF)c1 ZINC000858246461 636163940 /nfs/dbraw/zinc/16/39/40/636163940.db2.gz NLFBMLBOORAKKF-UHFFFAOYSA-N -1 1 287.697 2.963 20 10 CFCDMM NC(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000124632369 642287923 /nfs/dbraw/zinc/28/79/23/642287923.db2.gz RYNOVXAMNMBZRS-UHFFFAOYSA-N -1 1 276.723 2.757 20 10 CFCDMM Cc1ccc2c(c1)N[C@H](c1cccc(F)c1[O-])NC2=O ZINC000877865344 643613370 /nfs/dbraw/zinc/61/33/70/643613370.db2.gz YNDVPDBHRJTDAW-AWEZNQCLSA-N -1 1 272.279 2.694 20 10 CFCDMM CC1(C(=O)[O-])CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000128821494 644913026 /nfs/dbraw/zinc/91/30/26/644913026.db2.gz ZPOZQCQXNSROOK-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM COCCCn1ccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883043201 645579838 /nfs/dbraw/zinc/57/98/38/645579838.db2.gz ZPGNGGYMRRWFRD-UHFFFAOYSA-N -1 1 297.305 2.516 20 10 CFCDMM COC[C@@H](C)n1ccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883093650 645602344 /nfs/dbraw/zinc/60/23/44/645602344.db2.gz BMPGZIWQWUWFCV-SECBINFHSA-N -1 1 297.305 2.686 20 10 CFCDMM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1csnn1 ZINC000886626920 647075686 /nfs/dbraw/zinc/07/56/86/647075686.db2.gz ODLPSNQJBDGHQW-YUMQZZPRSA-N -1 1 267.329 2.795 20 10 CFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000398707225 776437054 /nfs/dbraw/zinc/43/70/54/776437054.db2.gz BLWHVQGEBYMVHI-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000398707225 776437058 /nfs/dbraw/zinc/43/70/58/776437058.db2.gz BLWHVQGEBYMVHI-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446164 777221243 /nfs/dbraw/zinc/22/12/43/777221243.db2.gz FENYSKCNZDXATC-OAHLLOKOSA-N -1 1 281.327 2.805 20 10 CFCDMM C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446164 777221252 /nfs/dbraw/zinc/22/12/52/777221252.db2.gz FENYSKCNZDXATC-OAHLLOKOSA-N -1 1 281.327 2.805 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC(F)(F)C1 ZINC001231453057 777223440 /nfs/dbraw/zinc/22/34/40/777223440.db2.gz DUOMSEYPAPJVJP-UHFFFAOYSA-N -1 1 285.290 2.568 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC(F)(F)C1 ZINC001231453057 777223449 /nfs/dbraw/zinc/22/34/49/777223449.db2.gz DUOMSEYPAPJVJP-UHFFFAOYSA-N -1 1 285.290 2.568 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2occc2C1 ZINC001233335683 777895981 /nfs/dbraw/zinc/89/59/81/777895981.db2.gz GYDGHQXCEODTIK-UHFFFAOYSA-N -1 1 265.259 2.822 20 10 CFCDMM Cc1nc2c(s1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233336283 777897990 /nfs/dbraw/zinc/89/79/90/777897990.db2.gz GHHHMHFVJSBVQM-UHFFFAOYSA-N -1 1 282.315 2.951 20 10 CFCDMM [O-]c1c(CN2CCn3ccnc3C2)cccc1C(F)(F)F ZINC001233416788 777943062 /nfs/dbraw/zinc/94/30/62/777943062.db2.gz WSAAOBMQCOGJCJ-UHFFFAOYSA-N -1 1 297.280 2.623 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCOC1 ZINC001233496301 777968993 /nfs/dbraw/zinc/96/89/93/777968993.db2.gz QZVIMOVDVFKEJU-SNVBAGLBSA-N -1 1 280.320 2.638 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C(F)(F)F ZINC001234474914 778234047 /nfs/dbraw/zinc/23/40/47/778234047.db2.gz ZNKVBOBMOAYYLB-ZCFIWIBFSA-N -1 1 264.199 2.630 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCc2cnccc2C1 ZINC001142509022 778395771 /nfs/dbraw/zinc/39/57/71/778395771.db2.gz UDXZELWMOBQFDJ-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001142508983 778395979 /nfs/dbraw/zinc/39/59/79/778395979.db2.gz RQYHWNYPFMBHJN-UHFFFAOYSA-N -1 1 275.245 2.902 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCc2ccncc2C1 ZINC001142525145 778401942 /nfs/dbraw/zinc/40/19/42/778401942.db2.gz ZPHLXTHJNWPQLW-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM [O-]c1c(F)c(F)ccc1Nc1ccncc1Cl ZINC001212160181 778779316 /nfs/dbraw/zinc/77/93/16/778779316.db2.gz LPZXTEYUFSHBOT-UHFFFAOYSA-N -1 1 256.639 2.884 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CCCC(=O)C2)c1 ZINC001236665975 778906803 /nfs/dbraw/zinc/90/68/03/778906803.db2.gz MHIVPIYEUSTPDO-UHFFFAOYSA-N -1 1 298.180 2.628 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CC(O)C2)C1 ZINC001236794937 778940830 /nfs/dbraw/zinc/94/08/30/778940830.db2.gz WZLAXXIERVFPAD-UHFFFAOYSA-N -1 1 288.174 2.656 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2C[C@@H](C1)O2 ZINC001236795175 778941016 /nfs/dbraw/zinc/94/10/16/778941016.db2.gz AHOVPMYGJUIFQZ-DTORHVGOSA-N -1 1 274.147 2.672 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC001236801194 778943012 /nfs/dbraw/zinc/94/30/12/778943012.db2.gz BMDXRJOQJCARTM-CMPLNLGQSA-N -1 1 274.147 2.672 20 10 CFCDMM COC1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077032 778999817 /nfs/dbraw/zinc/99/98/17/778999817.db2.gz BRTYKUQXEKPZHA-UHFFFAOYSA-N -1 1 262.136 2.530 20 10 CFCDMM CC(=O)CN(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078078 779007680 /nfs/dbraw/zinc/00/76/80/779007680.db2.gz NKFFTMMORYGLFR-UHFFFAOYSA-N -1 1 262.136 2.720 20 10 CFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)CCCOC2 ZINC001237800322 779181318 /nfs/dbraw/zinc/18/13/18/779181318.db2.gz NTDMZOVCQQTUKL-UHFFFAOYSA-N -1 1 285.746 2.797 20 10 CFCDMM Cc1ncc(CN(C)Cc2cc(Cl)cc(F)c2[O-])cn1 ZINC001237621467 779700931 /nfs/dbraw/zinc/70/09/31/779700931.db2.gz AMTUHZKZWXIXRV-UHFFFAOYSA-N -1 1 295.745 2.915 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000124561761 377063251 /nfs/dbraw/zinc/06/32/51/377063251.db2.gz RVBGKHPLQYXVPZ-QWHCGFSZSA-N -1 1 267.756 2.799 20 10 CFCDMM C[N@@H+](CCOCC1CC1)Cc1cccc(Cl)c1[O-] ZINC000180581766 380678022 /nfs/dbraw/zinc/67/80/22/380678022.db2.gz SYOQAELYAPPILU-UHFFFAOYSA-N -1 1 269.772 2.904 20 10 CFCDMM Cc1nc([C@@H]2CCCCN2Cc2cccc(F)c2[O-])no1 ZINC000376163993 382123270 /nfs/dbraw/zinc/12/32/70/382123270.db2.gz DOBPQZABUDWLCZ-ZDUSSCGKSA-N -1 1 291.326 2.950 20 10 CFCDMM CCC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295141276 382578529 /nfs/dbraw/zinc/57/85/29/382578529.db2.gz OPKWHZMAKTUPMK-JTQLQIEISA-N -1 1 281.327 2.889 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCCC2)c1[O-] ZINC000037322540 260159609 /nfs/dbraw/zinc/15/96/09/260159609.db2.gz JBVNFWLFWGRCID-UHFFFAOYSA-N -1 1 253.729 2.844 20 10 CFCDMM CC(C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000116381045 519322227 /nfs/dbraw/zinc/32/22/27/519322227.db2.gz ZMGVMPVCHZZZQX-UHFFFAOYSA-N -1 1 293.348 2.782 20 10 CFCDMM CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000234888671 523996240 /nfs/dbraw/zinc/99/62/40/523996240.db2.gz NESAHECIIHYVTE-JTQLQIEISA-N -1 1 276.163 2.920 20 10 CFCDMM CS[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647273 525909108 /nfs/dbraw/zinc/90/91/08/525909108.db2.gz VZRIMCDWNQDUET-IUCAKERBSA-N -1 1 299.367 2.641 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000228174805 526327556 /nfs/dbraw/zinc/32/75/56/526327556.db2.gz RVBGKHPLQYXVPZ-OLZOCXBDSA-N -1 1 267.756 2.799 20 10 CFCDMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086756580 598131645 /nfs/dbraw/zinc/13/16/45/598131645.db2.gz UCTMQQSOKHSSMI-LURJTMIESA-N -1 1 278.135 2.604 20 10 CFCDMM C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C(=O)[O-] ZINC000086762553 604626861 /nfs/dbraw/zinc/62/68/61/604626861.db2.gz PCFYMFSPRSVTGG-UHFFFAOYSA-N -1 1 292.162 2.994 20 10 CFCDMM CC[C@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759474 617836826 /nfs/dbraw/zinc/83/68/26/617836826.db2.gz CWERMZYAMVKSQJ-JQWIXIFHSA-N -1 1 283.755 2.619 20 10 CFCDMM COC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760073 617837598 /nfs/dbraw/zinc/83/75/98/617837598.db2.gz ZXPGZBYXIREMRG-NXEZZACHSA-N -1 1 285.771 2.580 20 10 CFCDMM CC[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759988 617838458 /nfs/dbraw/zinc/83/84/58/617838458.db2.gz YCRGJVURIIORFP-CMPLNLGQSA-N -1 1 297.782 2.867 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC(F)(F)C1 ZINC000890760353 617838560 /nfs/dbraw/zinc/83/85/60/617838560.db2.gz PEFXTROEQJFRDB-UHFFFAOYSA-N -1 1 275.682 2.707 20 10 CFCDMM CCCn1nccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760832 617838835 /nfs/dbraw/zinc/83/88/35/617838835.db2.gz AJHHTXGLEZIWQG-UHFFFAOYSA-N -1 1 293.754 2.582 20 10 CFCDMM CC1(OCC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760733 617839230 /nfs/dbraw/zinc/83/92/30/617839230.db2.gz YDELMXYTIFGPFH-UHFFFAOYSA-N -1 1 283.755 2.621 20 10 CFCDMM CCCCC[C@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761782 617841305 /nfs/dbraw/zinc/84/13/05/617841305.db2.gz XPSYQCUHWMLICJ-LBPRGKRZSA-N -1 1 285.771 2.603 20 10 CFCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)(F)F ZINC000890761423 617839994 /nfs/dbraw/zinc/83/99/94/617839994.db2.gz RETCXOGYTBIILS-ZETCQYMHSA-N -1 1 277.698 2.953 20 10 CFCDMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760323 617840418 /nfs/dbraw/zinc/84/04/18/617840418.db2.gz OJEFFMKDHJREQZ-SKDRFNHKSA-N -1 1 295.766 2.667 20 10 CFCDMM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762760 617842264 /nfs/dbraw/zinc/84/22/64/617842264.db2.gz HUZZZLUOHLEXIW-KLHWPWHYSA-N -1 1 279.767 2.954 20 10 CFCDMM Cc1cc(CCC(=O)NCc2cccc(Cl)c2[O-])no1 ZINC000890762598 617842562 /nfs/dbraw/zinc/84/25/62/617842562.db2.gz GXXPLLYMAFCTHW-UHFFFAOYSA-N -1 1 294.738 2.591 20 10 CFCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762761 617842595 /nfs/dbraw/zinc/84/25/95/617842595.db2.gz HUZZZLUOHLEXIW-NUGNTBJXSA-N -1 1 279.767 2.954 20 10 CFCDMM CCO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890763512 617843026 /nfs/dbraw/zinc/84/30/26/617843026.db2.gz XJVSBQJCQVXCNO-CYBMUJFWSA-N -1 1 285.771 2.723 20 10 CFCDMM CC(C)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891436442 618200226 /nfs/dbraw/zinc/20/02/26/618200226.db2.gz LJNNMEUUSNCEEE-UHFFFAOYSA-N -1 1 270.760 2.891 20 10 CFCDMM CC(C)[C@@H]1C[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895314585 618528585 /nfs/dbraw/zinc/52/85/85/618528585.db2.gz YLCOEJCIPPCKPH-CMPLNLGQSA-N -1 1 282.771 2.889 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000895468304 618601396 /nfs/dbraw/zinc/60/13/96/618601396.db2.gz IRVSXISQTSBCES-JGPRNRPPSA-N -1 1 280.755 2.643 20 10 CFCDMM C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000897684506 620271199 /nfs/dbraw/zinc/27/11/99/620271199.db2.gz QKKXVWHWZOEOAC-HQJQHLMTSA-N -1 1 276.163 2.512 20 10 CFCDMM Cn1cnc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000898045637 620320245 /nfs/dbraw/zinc/32/02/45/620320245.db2.gz QLRWKKHZGVLZDW-UHFFFAOYSA-N -1 1 286.162 2.722 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nnc([C@H]2CCCO2)o1 ZINC000905408001 621760296 /nfs/dbraw/zinc/76/02/96/621760296.db2.gz LUTUHXFSBUGLMU-SNVBAGLBSA-N -1 1 297.261 2.517 20 10 CFCDMM C[C@H]1C[C@@H]1c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905417670 621764025 /nfs/dbraw/zinc/76/40/25/621764025.db2.gz CLEVBSZCQQHJDL-RCOVLWMOSA-N -1 1 281.262 2.789 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(C2CCC2)o1 ZINC000905425115 621768533 /nfs/dbraw/zinc/76/85/33/621768533.db2.gz NLNKHQLMOGVZDB-UHFFFAOYSA-N -1 1 281.262 2.933 20 10 CFCDMM O=C(N[C@@H]1CC2CCC1CC2)c1c([O-])c(O)ccc1F ZINC000832838369 625531919 /nfs/dbraw/zinc/53/19/19/625531919.db2.gz UBJUDYPNJDSUPC-NWGYLPEXSA-N -1 1 279.311 2.545 20 10 CFCDMM C[C@@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825542748 623712604 /nfs/dbraw/zinc/71/26/04/623712604.db2.gz YSISGXJZQAIINL-ZJUUUORDSA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@H]1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825542746 623712633 /nfs/dbraw/zinc/71/26/33/623712633.db2.gz YSISGXJZQAIINL-UWVGGRQHSA-N -1 1 281.327 2.793 20 10 CFCDMM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000826113155 623794579 /nfs/dbraw/zinc/79/45/79/623794579.db2.gz PYSSXORJOGIDQB-GMTAPVOTSA-N -1 1 293.338 2.936 20 10 CFCDMM CC(C)[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000829713567 624513141 /nfs/dbraw/zinc/51/31/41/624513141.db2.gz LKGXNKQWPXXRPG-SNVBAGLBSA-N -1 1 281.327 2.745 20 10 CFCDMM O=C(/C=C/C1CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000830797405 624875582 /nfs/dbraw/zinc/87/55/82/624875582.db2.gz JYMMXDZWDIVAHQ-VMPITWQZSA-N -1 1 290.315 2.570 20 10 CFCDMM CC[C@@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)F ZINC000834826998 625888444 /nfs/dbraw/zinc/88/84/44/625888444.db2.gz HCCDGVSVPPACHL-LDYMZIIASA-N -1 1 287.306 2.873 20 10 CFCDMM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccn(C)n1 ZINC000839190322 626530627 /nfs/dbraw/zinc/53/06/27/626530627.db2.gz FSLWVLNXSLBEJJ-QMMMGPOBSA-N -1 1 283.734 2.769 20 10 CFCDMM C/C=C/C=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765764038 627156271 /nfs/dbraw/zinc/15/62/71/627156271.db2.gz GBGBDDWTXSQHNI-CRBCFSCISA-N -1 1 296.164 2.903 20 10 CFCDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000768102107 627314092 /nfs/dbraw/zinc/31/40/92/627314092.db2.gz OCHSKKWNIMXLPR-QMMMGPOBSA-N -1 1 279.321 2.608 20 10 CFCDMM CC1(C)CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784786740 628842337 /nfs/dbraw/zinc/84/23/37/628842337.db2.gz FJHXMVKYETZACV-NSHDSACASA-N -1 1 292.331 2.650 20 10 CFCDMM CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)C(=O)[O-] ZINC000852738098 634818465 /nfs/dbraw/zinc/81/84/65/634818465.db2.gz ZGIKXHLZPXQGTB-QMMMGPOBSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)C(=O)[O-] ZINC000852738098 634818467 /nfs/dbraw/zinc/81/84/67/634818467.db2.gz ZGIKXHLZPXQGTB-QMMMGPOBSA-N -1 1 299.754 2.543 20 10 CFCDMM CCn1ccc(C[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840954853 631280912 /nfs/dbraw/zinc/28/09/12/631280912.db2.gz LBMPYLKOAQAEHT-UHFFFAOYSA-N -1 1 279.771 2.860 20 10 CFCDMM CC(C)(C)C(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000814488042 632077090 /nfs/dbraw/zinc/07/70/90/632077090.db2.gz SCMKEBNQDNQGOU-UHFFFAOYSA-N -1 1 294.347 2.896 20 10 CFCDMM CCCC(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000845357771 632422497 /nfs/dbraw/zinc/42/24/97/632422497.db2.gz UEMZTUCCBDKENC-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM Cc1ccc2nc(NC(=O)c3cccc(O)c3O)[nH]c2c1 ZINC000817017128 632546317 /nfs/dbraw/zinc/54/63/17/632546317.db2.gz AACUHTAMIPACBQ-UHFFFAOYSA-N -1 1 283.287 2.535 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1O ZINC000817881151 632717468 /nfs/dbraw/zinc/71/74/68/632717468.db2.gz GSWBCWHDKDOHHR-BXKDBHETSA-N -1 1 297.782 2.897 20 10 CFCDMM CC(C)(CC[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000818629220 632883633 /nfs/dbraw/zinc/88/36/33/632883633.db2.gz VZXKLISJCKKVFJ-UHFFFAOYSA-N -1 1 271.744 2.636 20 10 CFCDMM COCc1nc(CN[C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886612099 647067376 /nfs/dbraw/zinc/06/73/76/647067376.db2.gz BRNJNLWGPYREJR-VIFPVBQESA-N -1 1 296.367 2.985 20 10 CFCDMM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1csnn1 ZINC000886626917 647076389 /nfs/dbraw/zinc/07/63/89/647076389.db2.gz ODLPSNQJBDGHQW-HTQZYQBOSA-N -1 1 267.329 2.795 20 10 CFCDMM O=C1N[C@@H](c2cccc(Cl)c2[O-])Nc2ccccc21 ZINC000124677457 776214622 /nfs/dbraw/zinc/21/46/22/776214622.db2.gz OQIHRGOIEGYXCE-ZDUSSCGKSA-N -1 1 274.707 2.900 20 10 CFCDMM C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446492 777218876 /nfs/dbraw/zinc/21/88/76/777218876.db2.gz JNYINGBJEOVWGH-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446492 777218880 /nfs/dbraw/zinc/21/88/80/777218880.db2.gz JNYINGBJEOVWGH-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231446406 777220576 /nfs/dbraw/zinc/22/05/76/777220576.db2.gz IPFOIKIKIJRSNP-NWDGAFQWSA-N -1 1 277.364 2.958 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231446406 777220582 /nfs/dbraw/zinc/22/05/82/777220582.db2.gz IPFOIKIKIJRSNP-NWDGAFQWSA-N -1 1 277.364 2.958 20 10 CFCDMM CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454563 777222851 /nfs/dbraw/zinc/22/28/51/777222851.db2.gz GXGJYPXYOGPTLM-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454563 777222858 /nfs/dbraw/zinc/22/28/58/777222858.db2.gz GXGJYPXYOGPTLM-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM CN(Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1F ZINC001231452853 777222998 /nfs/dbraw/zinc/22/29/98/777222998.db2.gz VGPSHLLRJQYFPJ-UHFFFAOYSA-N -1 1 289.306 2.862 20 10 CFCDMM CCC[NH+](CCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231562012 777261905 /nfs/dbraw/zinc/26/19/05/777261905.db2.gz YSHYUWMDEWCNLA-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM [O-]c1c(CN2CC3(C2)CC(F)(F)C3)ccc(F)c1F ZINC001233074215 777788352 /nfs/dbraw/zinc/78/83/52/777788352.db2.gz LDMOGVIUCGAIDT-UHFFFAOYSA-N -1 1 275.245 2.902 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC(Oc2ccccc2)C1 ZINC001233334560 777894861 /nfs/dbraw/zinc/89/48/61/777894861.db2.gz LQRXGCAAERDQEG-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM O=C1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@H]1F ZINC001233418345 777944387 /nfs/dbraw/zinc/94/43/87/777944387.db2.gz CMEVKWGDZJPAGB-SNVBAGLBSA-N -1 1 291.244 2.524 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OCC[C@@H](C)OC ZINC001233497624 777969073 /nfs/dbraw/zinc/96/90/73/777969073.db2.gz QAGMMZBZHIUKFO-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC[C@H]1F ZINC001233495358 777969217 /nfs/dbraw/zinc/96/92/17/777969217.db2.gz FICCWSMBVLTQIW-YGRLFVJLSA-N -1 1 298.310 2.586 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CN(C(C)C)C1 ZINC001233496835 777969265 /nfs/dbraw/zinc/96/92/65/777969265.db2.gz JSISBCNXHBDENN-UHFFFAOYSA-N -1 1 293.363 2.552 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001234475359 778233416 /nfs/dbraw/zinc/23/34/16/778233416.db2.gz GGCLGXCPAGNUOZ-MFKMUULPSA-N -1 1 268.284 2.960 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001234475360 778234100 /nfs/dbraw/zinc/23/41/00/778234100.db2.gz GGCLGXCPAGNUOZ-ZWNOBZJWSA-N -1 1 268.284 2.960 20 10 CFCDMM C[C@@]1(F)CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1F ZINC001142509116 778395558 /nfs/dbraw/zinc/39/55/58/778395558.db2.gz XGTPDWGEADFLCZ-QWHCGFSZSA-N -1 1 277.261 2.942 20 10 CFCDMM CN(Cc1nccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142527331 778402619 /nfs/dbraw/zinc/40/26/19/778402619.db2.gz ROFJMTRDEJWAAX-UHFFFAOYSA-N -1 1 270.304 2.759 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCC12COC2 ZINC001236795906 778940717 /nfs/dbraw/zinc/94/07/17/778940717.db2.gz JTKANTAGHYSLKD-UHFFFAOYSA-N -1 1 274.147 2.674 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[C@H]1CO2 ZINC001237081904 779006342 /nfs/dbraw/zinc/00/63/42/779006342.db2.gz OOIDFUWIMVUMIV-YUMQZZPRSA-N -1 1 274.147 2.672 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@](F)(CO)C1 ZINC001237078412 779006863 /nfs/dbraw/zinc/00/68/63/779006863.db2.gz SGEHMRNRADMLNB-LBPRGKRZSA-N -1 1 294.153 2.605 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2nccc2C1 ZINC001237087548 779009438 /nfs/dbraw/zinc/00/94/38/779009438.db2.gz YSMPTPLXNMCMLS-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237119864 779017421 /nfs/dbraw/zinc/01/74/21/779017421.db2.gz GZMLIUQDZRGBKS-MRVPVSSYSA-N -1 1 271.719 2.596 20 10 CFCDMM CCCOC1CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125821 779018866 /nfs/dbraw/zinc/01/88/66/779018866.db2.gz FRSFXIAIKNSCEG-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM CC(=O)C1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237798205 779179840 /nfs/dbraw/zinc/17/98/40/779179840.db2.gz AGVOOHBGUYLJLC-UHFFFAOYSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237940659 779211645 /nfs/dbraw/zinc/21/16/45/779211645.db2.gz BTSZSUZXPAQPTR-NXEZZACHSA-N -1 1 271.719 2.548 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCOC[C@H]1C1CC1 ZINC000180426608 380656334 /nfs/dbraw/zinc/65/63/34/380656334.db2.gz JBLBNIGTCWJYCK-ZDUSSCGKSA-N -1 1 267.756 2.656 20 10 CFCDMM C[C@@H]1C[C@H](C)CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000295557322 380939415 /nfs/dbraw/zinc/93/94/15/380939415.db2.gz VGDNTEBFFQVOJK-NXEZZACHSA-N -1 1 281.327 2.745 20 10 CFCDMM CSCCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000295807287 381088942 /nfs/dbraw/zinc/08/89/42/381088942.db2.gz TUMJSBIECXRBNQ-UHFFFAOYSA-N -1 1 287.356 2.500 20 10 CFCDMM CC1(C)CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295014115 382562693 /nfs/dbraw/zinc/56/26/93/382562693.db2.gz QCFDIAYHMKNRDV-UHFFFAOYSA-N -1 1 281.327 2.889 20 10 CFCDMM C[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1(C)C ZINC000295054992 382569168 /nfs/dbraw/zinc/56/91/68/382569168.db2.gz YCNDHEMUVDFFPE-SECBINFHSA-N -1 1 281.327 2.745 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccon2)c1[O-] ZINC000267384476 384374852 /nfs/dbraw/zinc/37/48/52/384374852.db2.gz NFBYWROKOKKMCQ-UHFFFAOYSA-N -1 1 294.738 2.868 20 10 CFCDMM CN(C)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)n1 ZINC000269982232 384928960 /nfs/dbraw/zinc/92/89/60/384928960.db2.gz NGWCSVZTWDXCGU-UHFFFAOYSA-N -1 1 291.782 2.796 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000037322619 260089188 /nfs/dbraw/zinc/08/91/88/260089188.db2.gz BSUXPXQGVZVSDT-AOOOYVTPSA-N -1 1 297.782 2.857 20 10 CFCDMM O=C(CC1CC1)NCc1cccc(Br)c1[O-] ZINC000277515323 526344689 /nfs/dbraw/zinc/34/46/89/526344689.db2.gz LHGKALWILBJMKA-UHFFFAOYSA-N -1 1 284.153 2.571 20 10 CFCDMM O=C([O-])CCCCC[NH2+]Cc1c([O-])cccc1Cl ZINC000819406483 597137940 /nfs/dbraw/zinc/13/79/40/597137940.db2.gz IXJOWQQGQQBBHL-UHFFFAOYSA-N -1 1 271.744 2.780 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)C(=O)[O-])c1O ZINC000825942363 601417841 /nfs/dbraw/zinc/41/78/41/601417841.db2.gz UIXVPEXAWZOCSG-UHFFFAOYSA-N -1 1 299.754 2.543 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)C(=O)[O-])c1[O-] ZINC000825942363 601417842 /nfs/dbraw/zinc/41/78/42/601417842.db2.gz UIXVPEXAWZOCSG-UHFFFAOYSA-N -1 1 299.754 2.543 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)C(C)(C)C(=O)[O-])c1[O-] ZINC000825942363 601417845 /nfs/dbraw/zinc/41/78/45/601417845.db2.gz UIXVPEXAWZOCSG-UHFFFAOYSA-N -1 1 299.754 2.543 20 10 CFCDMM C[C@@H](C[N@H+](Cc1cc(Cl)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516396 605750482 /nfs/dbraw/zinc/75/04/82/605750482.db2.gz MMFJBXJYYLZKLM-VIFPVBQESA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@@H](C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CC1)C(=O)[O-] ZINC000833516396 605750483 /nfs/dbraw/zinc/75/04/83/605750483.db2.gz MMFJBXJYYLZKLM-VIFPVBQESA-N -1 1 283.755 2.731 20 10 CFCDMM COC[C@@H](C)[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760076 617836925 /nfs/dbraw/zinc/83/69/25/617836925.db2.gz ZXPGZBYXIREMRG-ZJUUUORDSA-N -1 1 285.771 2.580 20 10 CFCDMM CC1=C(C(=O)NCc2cccc(Cl)c2[O-])SCCO1 ZINC000890759148 617837264 /nfs/dbraw/zinc/83/72/64/617837264.db2.gz DWHRCYBCHFLSMQ-UHFFFAOYSA-N -1 1 299.779 2.657 20 10 CFCDMM CCC1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760513 617838196 /nfs/dbraw/zinc/83/81/96/617838196.db2.gz RSCMQFGUQRJHBH-UHFFFAOYSA-N -1 1 253.729 2.852 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC12CCC2 ZINC000890760736 617838223 /nfs/dbraw/zinc/83/82/23/617838223.db2.gz YDRZTWFCBXKLAA-SNVBAGLBSA-N -1 1 265.740 2.852 20 10 CFCDMM CCCc1cc(C(=O)NCc2cccc(Cl)c2[O-])no1 ZINC000890761073 617839597 /nfs/dbraw/zinc/83/95/97/617839597.db2.gz JZZLVMMPWDKEOV-UHFFFAOYSA-N -1 1 294.738 2.916 20 10 CFCDMM C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760321 617839720 /nfs/dbraw/zinc/83/97/20/617839720.db2.gz OJEFFMKDHJREQZ-CABZTGNLSA-N -1 1 295.766 2.667 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000890761439 617839731 /nfs/dbraw/zinc/83/97/31/617839731.db2.gz SCWOYFVVXMPHTP-URLYPYJESA-N -1 1 265.740 2.708 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(C(F)F)CC1 ZINC000890761802 617840586 /nfs/dbraw/zinc/84/05/86/617840586.db2.gz YPOATGKPLOHIHX-UHFFFAOYSA-N -1 1 275.682 2.707 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCCC1 ZINC000891399009 618185394 /nfs/dbraw/zinc/18/53/94/618185394.db2.gz HYYQKQVGYWFDPN-UHFFFAOYSA-N -1 1 268.744 2.787 20 10 CFCDMM Cc1cc(F)ccc1C=C1SC(=S)[N-]C1=O ZINC000255661483 618254776 /nfs/dbraw/zinc/25/47/76/618254776.db2.gz OURBUIKBLQBIOW-WEVVVXLNSA-N -1 1 253.323 2.623 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC12CCC2 ZINC000896319377 619717291 /nfs/dbraw/zinc/71/72/91/619717291.db2.gz SDWWEKJPCXPOFU-LLVKDONJSA-N -1 1 280.755 2.787 20 10 CFCDMM [O-]c1c(F)c(F)ccc1CN1CC(Cc2ccoc2)C1 ZINC000898159928 620340778 /nfs/dbraw/zinc/34/07/78/620340778.db2.gz JUJGVSLABXEMND-UHFFFAOYSA-N -1 1 279.286 2.938 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nccnc1C1CC1 ZINC000902171659 620993032 /nfs/dbraw/zinc/99/30/32/620993032.db2.gz ROHMGLQPCFMDNW-UHFFFAOYSA-N -1 1 277.274 2.950 20 10 CFCDMM CC1(C)CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000832920156 625539467 /nfs/dbraw/zinc/53/94/67/625539467.db2.gz VEBRXTWCHMSGAV-VIFPVBQESA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000820938737 622799879 /nfs/dbraw/zinc/79/98/79/622799879.db2.gz DSBPUFZLFLOWKH-CMPLNLGQSA-N -1 1 292.331 2.650 20 10 CFCDMM Cc1cc(Br)c([O-])c(CNC(CF)CF)c1 ZINC000824554646 623516526 /nfs/dbraw/zinc/51/65/26/623516526.db2.gz JNBXSJFIBNFKBS-UHFFFAOYSA-N -1 1 294.139 2.860 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN[C@H]1CCn2ccnc21 ZINC000824527362 623517553 /nfs/dbraw/zinc/51/75/53/623517553.db2.gz USGPOUHHIGQKPO-NSHDSACASA-N -1 1 281.718 2.616 20 10 CFCDMM C[C@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825542747 623712436 /nfs/dbraw/zinc/71/24/36/623712436.db2.gz YSISGXJZQAIINL-VHSXEESVSA-N -1 1 281.327 2.793 20 10 CFCDMM CCc1ncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834900376 625915658 /nfs/dbraw/zinc/91/56/58/625915658.db2.gz PEEPXHPLMIRJRY-SECBINFHSA-N -1 1 291.307 2.702 20 10 CFCDMM C[C@@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC=CCC1 ZINC000838182600 626489038 /nfs/dbraw/zinc/48/90/38/626489038.db2.gz IKOHEDHNHUMULT-MRXNPFEDSA-N -1 1 290.315 2.570 20 10 CFCDMM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccn(C)n1 ZINC000839190321 626530585 /nfs/dbraw/zinc/53/05/85/626530585.db2.gz FSLWVLNXSLBEJJ-MRVPVSSYSA-N -1 1 283.734 2.769 20 10 CFCDMM CC[N@@H+]1CCN(Cc2cc(Cl)cc(F)c2O)[C@H](C)C1 ZINC000809697320 626553941 /nfs/dbraw/zinc/55/39/41/626553941.db2.gz DTVQRGCWHVOAJY-SNVBAGLBSA-N -1 1 286.778 2.711 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCc2cn[nH]c2C1 ZINC000769468205 627444602 /nfs/dbraw/zinc/44/46/02/627444602.db2.gz CNHYOEVGVRSROE-UHFFFAOYSA-N -1 1 298.173 2.980 20 10 CFCDMM Cc1cnc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000779102091 628352340 /nfs/dbraw/zinc/35/23/40/628352340.db2.gz VKAPZOHAXGDGDK-GFCCVEGCSA-N -1 1 299.374 2.653 20 10 CFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC=CCC2)c1[O-] ZINC000779159643 628357301 /nfs/dbraw/zinc/35/73/01/628357301.db2.gz OPDAWSXJYSWZSM-UHFFFAOYSA-N -1 1 268.700 2.716 20 10 CFCDMM C[C@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783854869 628750162 /nfs/dbraw/zinc/75/01/62/628750162.db2.gz KFWTVKRYVAFKKM-CMPLNLGQSA-N -1 1 292.331 2.650 20 10 CFCDMM CC1(C)C(C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1(C)C ZINC000783959112 628758060 /nfs/dbraw/zinc/75/80/60/628758060.db2.gz GHKKPNDBTXTWAU-UHFFFAOYSA-N -1 1 292.331 2.506 20 10 CFCDMM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000839807783 628869506 /nfs/dbraw/zinc/86/95/06/628869506.db2.gz UCNZRWJLZZFXTP-WDEREUQCSA-N -1 1 293.338 2.793 20 10 CFCDMM COc1nn(C)cc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000788983774 629113987 /nfs/dbraw/zinc/11/39/87/629113987.db2.gz GVZKGEWUUTWMDW-ZETCQYMHSA-N -1 1 283.278 2.586 20 10 CFCDMM COc1nn(C)cc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000788983770 629114083 /nfs/dbraw/zinc/11/40/83/629114083.db2.gz GVZKGEWUUTWMDW-SSDOTTSWSA-N -1 1 283.278 2.586 20 10 CFCDMM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1c([O-])c(O)ccc1F ZINC000789972208 629201003 /nfs/dbraw/zinc/20/10/03/629201003.db2.gz FAVVKLVBANOZES-PWSUYJOCSA-N -1 1 287.290 2.523 20 10 CFCDMM CC[C@H](NCc1ncnn1CC)c1cccc(Cl)c1[O-] ZINC000806164172 630778360 /nfs/dbraw/zinc/77/83/60/630778360.db2.gz ZODNDKFWEAKKST-LBPRGKRZSA-N -1 1 294.786 2.898 20 10 CFCDMM CCC[C@H](CC)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000844662968 632277429 /nfs/dbraw/zinc/27/74/29/632277429.db2.gz IEWBWIIYUCFXRA-QMMMGPOBSA-N -1 1 293.335 2.991 20 10 CFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC000848638677 633304835 /nfs/dbraw/zinc/30/48/35/633304835.db2.gz BPCBQIUAEFIQMU-UHFFFAOYSA-N -1 1 287.718 2.624 20 10 CFCDMM O=C(NCCC[C@@H]1C=CCC1)c1c(F)ccc(O)c1[O-] ZINC000881457863 644978909 /nfs/dbraw/zinc/97/89/09/644978909.db2.gz QPXGEIWDKOQYPV-SNVBAGLBSA-N -1 1 279.311 2.713 20 10 CFCDMM O=C(CSc1nccn1C1CC1)c1ccc([O-])c(O)c1 ZINC000026121042 645495282 /nfs/dbraw/zinc/49/52/82/645495282.db2.gz VYHDDOGXTCHILY-UHFFFAOYSA-N -1 1 290.344 2.604 20 10 CFCDMM O=C(NCc1ccccc1O)c1cc(Cl)ccc1[O-] ZINC000133780114 646227298 /nfs/dbraw/zinc/22/72/98/646227298.db2.gz LUNKFVNHVVEVDL-UHFFFAOYSA-N -1 1 277.707 2.681 20 10 CFCDMM CCc1nc(CN[C@H](C)c2c([O-])cccc2F)co1 ZINC000886620660 647072329 /nfs/dbraw/zinc/07/23/29/647072329.db2.gz PNUXJRIENPGDAN-SECBINFHSA-N -1 1 264.300 2.933 20 10 CFCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000300436228 647332789 /nfs/dbraw/zinc/33/27/89/647332789.db2.gz GUUBIUJUQUZCSB-HONMWMINSA-N -1 1 293.338 2.749 20 10 CFCDMM O=C(C[C@H]1CC=CCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924245355 647947893 /nfs/dbraw/zinc/94/78/93/647947893.db2.gz FNYOZLFRECSISS-NSHDSACASA-N -1 1 290.315 2.570 20 10 CFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000931786322 649489231 /nfs/dbraw/zinc/48/92/31/649489231.db2.gz INFDEBKKZXSMBS-ZCFIWIBFSA-N -1 1 296.676 2.796 20 10 CFCDMM CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453186 777222767 /nfs/dbraw/zinc/22/27/67/777222767.db2.gz DFJCJQHBONRRHB-ZDUSSCGKSA-N -1 1 263.337 2.711 20 10 CFCDMM CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453186 777222769 /nfs/dbraw/zinc/22/27/69/777222769.db2.gz DFJCJQHBONRRHB-ZDUSSCGKSA-N -1 1 263.337 2.711 20 10 CFCDMM CC(C)[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231452997 777223625 /nfs/dbraw/zinc/22/36/25/777223625.db2.gz ZKCFLYOQFVONLU-UHFFFAOYSA-N -1 1 263.337 2.711 20 10 CFCDMM CC(C)[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231452997 777223630 /nfs/dbraw/zinc/22/36/30/777223630.db2.gz ZKCFLYOQFVONLU-UHFFFAOYSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1c(CN2CCCC[C@@H](F)C2)ccc(F)c1F ZINC001233073673 777787716 /nfs/dbraw/zinc/78/77/16/777787716.db2.gz BTJAMRGZJZVHRT-SNVBAGLBSA-N -1 1 259.271 2.994 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2cnccc2C1 ZINC001233331748 777889207 /nfs/dbraw/zinc/88/92/07/777889207.db2.gz JHUVGAKNLNRKPM-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM CN(Cc1ccccn1)Cc1c([O-])ccc(F)c1F ZINC001233331973 777890722 /nfs/dbraw/zinc/89/07/22/777890722.db2.gz SEQWPOWRIZTAGV-UHFFFAOYSA-N -1 1 264.275 2.697 20 10 CFCDMM C[C@]1(F)CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1F ZINC001233332576 777895004 /nfs/dbraw/zinc/89/50/04/777895004.db2.gz PLOZCJLOJUISGK-YPMHNXCESA-N -1 1 277.261 2.942 20 10 CFCDMM Cc1nc2c(o1)CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233336761 777897528 /nfs/dbraw/zinc/89/75/28/777897528.db2.gz YZEXBUVWCGBPSL-UHFFFAOYSA-N -1 1 280.274 2.525 20 10 CFCDMM [O-]c1c(CN2Cc3cncnc3C2)cccc1C(F)(F)F ZINC001233416049 777943077 /nfs/dbraw/zinc/94/30/77/777943077.db2.gz ULZVOWMVQGMQQF-UHFFFAOYSA-N -1 1 295.264 2.717 20 10 CFCDMM [O-]c1c(CN2C[C@H]3CC[C@@H](C2)O3)cccc1C(F)(F)F ZINC001233415666 777943116 /nfs/dbraw/zinc/94/31/16/777943116.db2.gz DVNYYAVQPPCDPH-PHIMTYICSA-N -1 1 287.281 2.774 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCOCC1 ZINC001233495019 777967960 /nfs/dbraw/zinc/96/79/60/777967960.db2.gz KCYKRSRUPGHMHN-UHFFFAOYSA-N -1 1 280.320 2.638 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1ncccn1 ZINC001142534416 778403795 /nfs/dbraw/zinc/40/37/95/778403795.db2.gz IONDTXUBUGIQBY-ZDUSSCGKSA-N -1 1 291.301 2.798 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2ccnc2C1 ZINC001236789779 778937703 /nfs/dbraw/zinc/93/77/03/778937703.db2.gz JSRILZOIUVQMRT-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H](O)[C@H](F)C1 ZINC001236793649 778939865 /nfs/dbraw/zinc/93/98/65/778939865.db2.gz MSVVKLPCZWWQSD-GHMZBOCLSA-N -1 1 294.153 2.604 20 10 CFCDMM C[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@H](C)O1 ZINC001237122714 779019128 /nfs/dbraw/zinc/01/91/28/779019128.db2.gz XENVMLNVJJOOBO-IUCAKERBSA-N -1 1 273.735 2.794 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@]12CCOC2 ZINC001237125396 779020521 /nfs/dbraw/zinc/02/05/21/779020521.db2.gz DKAKVUQWPAIVQA-ZDUSSCGKSA-N -1 1 271.719 2.550 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOC2(CC2)C1 ZINC001237939415 779211632 /nfs/dbraw/zinc/21/16/32/779211632.db2.gz CBOKJVNEDZHRBJ-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM CC(C)OC1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237941612 779212821 /nfs/dbraw/zinc/21/28/21/779212821.db2.gz ZGOGMYVFUWAXFZ-UHFFFAOYSA-N -1 1 273.735 2.794 20 10 CFCDMM O=C(NCC[C@H]1CC=CCC1)c1c(F)ccc(O)c1[O-] ZINC000530275749 383769794 /nfs/dbraw/zinc/76/97/94/383769794.db2.gz XDQHFHGKVVEGTF-JTQLQIEISA-N -1 1 279.311 2.713 20 10 CFCDMM CC(C)(C)n1ncnc1CNCc1cccc(Cl)c1[O-] ZINC000282677818 385367660 /nfs/dbraw/zinc/36/76/60/385367660.db2.gz IBIBXIVRPFKXFW-UHFFFAOYSA-N -1 1 294.786 2.682 20 10 CFCDMM CN(Cc1nccs1)Cc1cccc(F)c1[O-] ZINC000272238987 385484802 /nfs/dbraw/zinc/48/48/02/385484802.db2.gz GBNNGYCZZMRIPJ-UHFFFAOYSA-N -1 1 252.314 2.620 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C)[C@@H]2C)c1[O-] ZINC000155958859 518279022 /nfs/dbraw/zinc/27/90/22/518279022.db2.gz OGUJUSQMVCPQRD-ONGXEEELSA-N -1 1 297.782 2.857 20 10 CFCDMM CCOC(=O)[C@@H](NCc1cccc(F)c1[O-])[C@H](C)CC ZINC000276484986 521082895 /nfs/dbraw/zinc/08/28/95/521082895.db2.gz OZAXZUBZGVMKOF-MFKMUULPSA-N -1 1 283.343 2.599 20 10 CFCDMM CC(C)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736425749 574051109 /nfs/dbraw/zinc/05/11/09/574051109.db2.gz CAJCSLQGABBBIB-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM CC(C)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736425749 574051110 /nfs/dbraw/zinc/05/11/10/574051110.db2.gz CAJCSLQGABBBIB-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM C[C@@H](NCc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507827 574241990 /nfs/dbraw/zinc/24/19/90/574241990.db2.gz GAPNWNGBDDFCPF-MRVPVSSYSA-N -1 1 279.321 2.608 20 10 CFCDMM O=C([O-])C[N@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000833248094 601007156 /nfs/dbraw/zinc/00/71/56/601007156.db2.gz KQGCRBJSLJIBJP-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000833248094 601007160 /nfs/dbraw/zinc/00/71/60/601007160.db2.gz KQGCRBJSLJIBJP-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000828664495 601432893 /nfs/dbraw/zinc/43/28/93/601432893.db2.gz AVJJSPHXKHACEU-CYBMUJFWSA-N -1 1 271.744 2.779 20 10 CFCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000405351159 604649195 /nfs/dbraw/zinc/64/91/95/604649195.db2.gz CZEUMFPPQVDJMI-LLVKDONJSA-N -1 1 295.766 2.732 20 10 CFCDMM O=C([O-])NCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000834224198 605488213 /nfs/dbraw/zinc/48/82/13/605488213.db2.gz GVLJVSUESBWDFE-UHFFFAOYSA-N -1 1 298.770 2.525 20 10 CFCDMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827840 605682788 /nfs/dbraw/zinc/68/27/88/605682788.db2.gz BCEGMNXVRYNVFQ-ZJUUUORDSA-N -1 1 298.770 2.524 20 10 CFCDMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827840 605682790 /nfs/dbraw/zinc/68/27/90/605682790.db2.gz BCEGMNXVRYNVFQ-ZJUUUORDSA-N -1 1 298.770 2.524 20 10 CFCDMM CC[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759473 617836759 /nfs/dbraw/zinc/83/67/59/617836759.db2.gz CWERMZYAMVKSQJ-CMPLNLGQSA-N -1 1 283.755 2.619 20 10 CFCDMM CCc1nc(C)c(C(=O)NCc2cccc(Cl)c2[O-])o1 ZINC000890759992 617838014 /nfs/dbraw/zinc/83/80/14/617838014.db2.gz YECAZZXZTICYCD-UHFFFAOYSA-N -1 1 294.738 2.834 20 10 CFCDMM CC(C)OCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759890 617839026 /nfs/dbraw/zinc/83/90/26/617839026.db2.gz USEOIOGIRRSWOV-UHFFFAOYSA-N -1 1 285.771 2.867 20 10 CFCDMM CCOC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890761811 617841036 /nfs/dbraw/zinc/84/10/36/617841036.db2.gz YTPSIQLOFCWSTN-UHFFFAOYSA-N -1 1 283.755 2.621 20 10 CFCDMM CSC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760054 617835774 /nfs/dbraw/zinc/83/57/74/617835774.db2.gz ZMXLIPWPHASXJH-UHFFFAOYSA-N -1 1 285.796 2.948 20 10 CFCDMM CC(Cl)(Cl)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760269 617839691 /nfs/dbraw/zinc/83/96/91/617839691.db2.gz MQQWSNDEJOOLSQ-UHFFFAOYSA-N -1 1 282.554 2.856 20 10 CFCDMM CCn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890763675 617843157 /nfs/dbraw/zinc/84/31/57/617843157.db2.gz ZPILUBQJOBQAAA-UHFFFAOYSA-N -1 1 293.754 2.500 20 10 CFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763405 617843398 /nfs/dbraw/zinc/84/33/98/617843398.db2.gz VNWWBCUKCCLIEK-XHSYRHOGSA-N -1 1 297.782 2.721 20 10 CFCDMM O=C(NCCC1CC1)NCc1cccc(Cl)c1[O-] ZINC000893295233 618268268 /nfs/dbraw/zinc/26/82/68/618268268.db2.gz JLHCXBIMZMIASE-UHFFFAOYSA-N -1 1 268.744 2.645 20 10 CFCDMM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1C ZINC000726876371 619267081 /nfs/dbraw/zinc/26/70/81/619267081.db2.gz PVDDEMOATTYJTN-LFIBNONCSA-N -1 1 292.338 2.765 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000894593347 619427487 /nfs/dbraw/zinc/42/74/87/619427487.db2.gz RLAKGZUDGLQSIK-ZDUSSCGKSA-N -1 1 291.297 2.594 20 10 CFCDMM CC(C)Cc1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905407790 621760681 /nfs/dbraw/zinc/76/06/81/621760681.db2.gz KLBUYGYZIATCEO-UHFFFAOYSA-N -1 1 283.278 2.864 20 10 CFCDMM CC(C)(C)CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908328826 622220657 /nfs/dbraw/zinc/22/06/57/622220657.db2.gz NGAKNCNZZCSJFC-UHFFFAOYSA-N -1 1 291.800 2.511 20 10 CFCDMM Cc1cc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)cc1Cl ZINC000825451237 623696482 /nfs/dbraw/zinc/69/64/82/623696482.db2.gz RRJCIEQHCUUCKW-UHFFFAOYSA-N -1 1 297.782 2.693 20 10 CFCDMM CC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCCC1 ZINC000826865217 623897775 /nfs/dbraw/zinc/89/77/75/623897775.db2.gz IVQMFLKUUDHPET-UHFFFAOYSA-N -1 1 281.327 2.937 20 10 CFCDMM O=C(NC1CCC(F)(F)CC1)c1c([O-])c(O)ccc1F ZINC000827505816 624019222 /nfs/dbraw/zinc/01/92/22/624019222.db2.gz ATFHILITLOQJSF-UHFFFAOYSA-N -1 1 289.253 2.545 20 10 CFCDMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1C ZINC000828399204 624237962 /nfs/dbraw/zinc/23/79/62/624237962.db2.gz MWZHMMMCVNTGIJ-UTLUCORTSA-N -1 1 281.327 2.791 20 10 CFCDMM C[C@H](CCC1CC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000828712084 624289613 /nfs/dbraw/zinc/28/96/13/624289613.db2.gz YQZXMLUPXMLQJQ-MRVPVSSYSA-N -1 1 267.300 2.545 20 10 CFCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)C1=CCCCC1 ZINC000830184327 624661037 /nfs/dbraw/zinc/66/10/37/624661037.db2.gz ADPXSHKWCXUMKH-UHFFFAOYSA-N -1 1 289.303 2.870 20 10 CFCDMM CC[C@@H]1C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000830529566 624773938 /nfs/dbraw/zinc/77/39/38/624773938.db2.gz LYIXHNWTPKTEAG-PSASIEDQSA-N -1 1 298.180 2.817 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CCC2)CC1 ZINC000831896753 625169600 /nfs/dbraw/zinc/16/96/00/625169600.db2.gz XBNBSRSKLNGSAI-UHFFFAOYSA-N -1 1 279.311 2.643 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cnc(-c2ccco2)s1 ZINC000788101111 626492538 /nfs/dbraw/zinc/49/25/38/626492538.db2.gz ZWJCFXAPQTZRHR-YWEYNIOJSA-N -1 1 294.382 2.892 20 10 CFCDMM Cc1cnc(NCc2cccc(Br)c2[O-])nc1 ZINC000764934862 627107633 /nfs/dbraw/zinc/10/76/33/627107633.db2.gz OYUMVPMOUUUZHU-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765730267 627155541 /nfs/dbraw/zinc/15/55/41/627155541.db2.gz RPAJGCAHXJVIFA-UHFFFAOYSA-N -1 1 284.153 2.571 20 10 CFCDMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000775289097 628007396 /nfs/dbraw/zinc/00/73/96/628007396.db2.gz QOIHRWWVXQSUTN-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM C[C@@H]1CC[C@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784118094 628779180 /nfs/dbraw/zinc/77/91/80/628779180.db2.gz PUOVSAQRAJEDFK-MNOVXSKESA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789943019 629199291 /nfs/dbraw/zinc/19/92/91/629199291.db2.gz YFLSPICVOMOGLV-SCZZXKLOSA-N -1 1 267.300 2.545 20 10 CFCDMM CCc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789980572 629201514 /nfs/dbraw/zinc/20/15/14/629201514.db2.gz GOTVGIWONGRWEJ-UHFFFAOYSA-N -1 1 289.306 2.729 20 10 CFCDMM C[C@@H]1C[C@H](C)N1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220225 629507468 /nfs/dbraw/zinc/50/74/68/629507468.db2.gz LZSNYICUXLSQQU-OCAPTIKFSA-N -1 1 270.716 2.937 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(CCO)nc1 ZINC000806670211 630828900 /nfs/dbraw/zinc/82/89/00/630828900.db2.gz JWVCVVQJJYOIHB-UHFFFAOYSA-N -1 1 296.729 2.727 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CN1CCCc2n[nH]cc21 ZINC000811496849 631571451 /nfs/dbraw/zinc/57/14/51/631571451.db2.gz BHWKYNYCCXNKBG-UHFFFAOYSA-N -1 1 281.718 2.861 20 10 CFCDMM COCCN(Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876600858 642940513 /nfs/dbraw/zinc/94/05/13/642940513.db2.gz JZGCEQIWNDJXBH-UHFFFAOYSA-N -1 1 297.301 2.912 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1ccnn1CC1CC1 ZINC000883047232 645581501 /nfs/dbraw/zinc/58/15/01/645581501.db2.gz LHLDHWLOMMUVCE-UHFFFAOYSA-N -1 1 279.290 2.889 20 10 CFCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000300436227 647332673 /nfs/dbraw/zinc/33/26/73/647332673.db2.gz GUUBIUJUQUZCSB-GDLCADMTSA-N -1 1 293.338 2.749 20 10 CFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc[nH]1 ZINC001225550030 775499362 /nfs/dbraw/zinc/49/93/62/775499362.db2.gz QXJYMWXCYAOBMW-SECBINFHSA-N -1 1 293.754 2.934 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)C1 ZINC001231451983 777222801 /nfs/dbraw/zinc/22/28/01/777222801.db2.gz AAQSKTHRPDLRJF-MNOVXSKESA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)C1 ZINC001231451983 777222806 /nfs/dbraw/zinc/22/28/06/777222806.db2.gz AAQSKTHRPDLRJF-MNOVXSKESA-N -1 1 263.337 2.711 20 10 CFCDMM CN(Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC001233074224 777788170 /nfs/dbraw/zinc/78/81/70/777788170.db2.gz LGDRRBGIXNLYSX-UHFFFAOYSA-N -1 1 264.275 2.697 20 10 CFCDMM CN(Cc1nccs1)Cc1c([O-])ccc(F)c1F ZINC001233335310 777894953 /nfs/dbraw/zinc/89/49/53/777894953.db2.gz QBGIXYFIWZIBFW-UHFFFAOYSA-N -1 1 270.304 2.759 20 10 CFCDMM [O-]c1c(CN2CC3(C2)CCCO3)cccc1C(F)(F)F ZINC001233416818 777943972 /nfs/dbraw/zinc/94/39/72/777943972.db2.gz XOTGVIPBBQSCSO-UHFFFAOYSA-N -1 1 287.281 2.776 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC[C@@H]1F ZINC001233495355 777968687 /nfs/dbraw/zinc/96/86/87/777968687.db2.gz FICCWSMBVLTQIW-IINYFYTJSA-N -1 1 298.310 2.586 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H](C)OCC ZINC001233495303 777968875 /nfs/dbraw/zinc/96/88/75/777968875.db2.gz FABLZRZWQXNLRT-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC[C@H]1C ZINC001233495952 777969025 /nfs/dbraw/zinc/96/90/25/777969025.db2.gz OAYDRSADZPYJLR-BMIGLBTASA-N -1 1 294.347 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OCCOC(C)C ZINC001233498785 777971008 /nfs/dbraw/zinc/97/10/08/777971008.db2.gz VIMAGMRMKOXKMN-UHFFFAOYSA-N -1 1 282.336 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC[C@@H]1C ZINC001234473086 778234170 /nfs/dbraw/zinc/23/41/70/778234170.db2.gz BGKUBCNALFVVMZ-SDBXPKJASA-N -1 1 250.294 2.868 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1Cc2ccncc2[C@H]1C ZINC001234477526 778234662 /nfs/dbraw/zinc/23/46/62/778234662.db2.gz SZXJTZIZQGWCKL-ABKXIKBNSA-N -1 1 299.326 2.803 20 10 CFCDMM COC(C)(C)C[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234476182 778235023 /nfs/dbraw/zinc/23/50/23/778235023.db2.gz LNOKZPFCNRIMBG-VIFPVBQESA-N -1 1 282.336 2.883 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H](F)C[C@H]1CO ZINC001236792452 778939258 /nfs/dbraw/zinc/93/92/58/778939258.db2.gz DKNKWVGBFFZYLN-BDAKNGLRSA-N -1 1 294.153 2.604 20 10 CFCDMM COc1cc([O-])c(CN2CC(C)(F)C2)c(Cl)c1 ZINC001236800076 778940796 /nfs/dbraw/zinc/94/07/96/778940796.db2.gz WQLLTFUCZPXHEN-UHFFFAOYSA-N -1 1 259.708 2.598 20 10 CFCDMM COC1(C)CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078396 779006939 /nfs/dbraw/zinc/00/69/39/779006939.db2.gz RQGROPPYQDTZHE-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC2(C1)CCCCO2 ZINC001237124663 779019146 /nfs/dbraw/zinc/01/91/46/779019146.db2.gz QHROOPLIDUAILS-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM C[C@@H]1CC(=O)CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933760 779209983 /nfs/dbraw/zinc/20/99/83/779209983.db2.gz GVCSQXWSUKYAKE-MRVPVSSYSA-N -1 1 271.719 2.738 20 10 CFCDMM CC1(C)CN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237949859 779215234 /nfs/dbraw/zinc/21/52/34/779215234.db2.gz NKADUMGODVLTTB-UHFFFAOYSA-N -1 1 285.746 2.986 20 10 CFCDMM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137837311 781137747 /nfs/dbraw/zinc/13/77/47/781137747.db2.gz ATAVTVWHAWXYBF-ZDUSSCGKSA-N -1 1 295.354 2.837 20 10 CFCDMM CCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277579882 519911728 /nfs/dbraw/zinc/91/17/28/519911728.db2.gz RKGOBQGBLLYQGR-UHFFFAOYSA-N -1 1 286.169 2.961 20 10 CFCDMM COCc1nc(CNCc2cccc(Cl)c2[O-])cs1 ZINC000291689730 523203001 /nfs/dbraw/zinc/20/30/01/523203001.db2.gz XYTLVBZRKOOGSL-UHFFFAOYSA-N -1 1 298.795 2.938 20 10 CFCDMM C[C@H](NCc1cscn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756507829 574242080 /nfs/dbraw/zinc/24/20/80/574242080.db2.gz GAPNWNGBDDFCPF-QMMMGPOBSA-N -1 1 279.321 2.608 20 10 CFCDMM Cc1c(N[C@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC000756875219 574270242 /nfs/dbraw/zinc/27/02/42/574270242.db2.gz ULVBHUFLQSXJQA-SSDOTTSWSA-N -1 1 267.279 2.885 20 10 CFCDMM O=C([O-])CCCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000819406502 597138505 /nfs/dbraw/zinc/13/85/05/597138505.db2.gz OPTMLWPDYOPARZ-UHFFFAOYSA-N -1 1 271.744 2.780 20 10 CFCDMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086756743 598151294 /nfs/dbraw/zinc/15/12/94/598151294.db2.gz WWKXVANNSGCAAE-JTQLQIEISA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086756743 598151295 /nfs/dbraw/zinc/15/12/95/598151295.db2.gz WWKXVANNSGCAAE-JTQLQIEISA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000405364539 604648996 /nfs/dbraw/zinc/64/89/96/604648996.db2.gz SKFFBNLREPYNID-GFCCVEGCSA-N -1 1 295.766 2.732 20 10 CFCDMM C[C@@H](C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1)C(=O)[O-] ZINC000833516737 605751981 /nfs/dbraw/zinc/75/19/81/605751981.db2.gz VEJNWJZJIGJWBX-VIFPVBQESA-N -1 1 283.755 2.731 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(C2CC2)no1 ZINC000890759692 617837402 /nfs/dbraw/zinc/83/74/02/617837402.db2.gz OUCLIQXLOIUCDZ-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM O=C(CSC(F)F)NCc1cccc(Cl)c1[O-] ZINC000890760853 617838283 /nfs/dbraw/zinc/83/82/83/617838283.db2.gz BDJJQQLHWHGZKL-UHFFFAOYSA-N -1 1 281.711 2.618 20 10 CFCDMM CO[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761335 617838805 /nfs/dbraw/zinc/83/88/05/617838805.db2.gz OMVVGBAPPYJGIP-DGCLKSJQSA-N -1 1 297.782 2.867 20 10 CFCDMM CSC[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760672 617838963 /nfs/dbraw/zinc/83/89/63/617838963.db2.gz VTABBYKPSCWWJG-MRVPVSSYSA-N -1 1 273.785 2.661 20 10 CFCDMM CSC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761819 617841429 /nfs/dbraw/zinc/84/14/29/617841429.db2.gz YZKJNTMPEAZWAH-UHFFFAOYSA-N -1 1 273.785 2.803 20 10 CFCDMM O=C(N[C@@H]1CCCC2(CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000900763703 620716014 /nfs/dbraw/zinc/71/60/14/620716014.db2.gz RSAQSGWVTQQFBD-SECBINFHSA-N -1 1 279.311 2.690 20 10 CFCDMM CCCc1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905408002 621760401 /nfs/dbraw/zinc/76/04/01/621760401.db2.gz LVKRKDJJMZURSU-UHFFFAOYSA-N -1 1 269.251 2.618 20 10 CFCDMM CCc1cc(NCc2cc(F)cc(F)c2[O-])no1 ZINC000905412477 621762517 /nfs/dbraw/zinc/76/25/17/621762517.db2.gz WAJLZASFAKZHFZ-UHFFFAOYSA-N -1 1 254.236 2.833 20 10 CFCDMM CC[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826028395 623784534 /nfs/dbraw/zinc/78/45/34/623784534.db2.gz ZDJNGVDZQOLJQB-VHSXEESVSA-N -1 1 281.327 2.936 20 10 CFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000929921607 624226657 /nfs/dbraw/zinc/22/66/57/624226657.db2.gz VPNHSMVWEXBTSF-MRVPVSSYSA-N -1 1 268.744 2.643 20 10 CFCDMM C[C@@H]1CC2(CCC2)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000830474955 624755945 /nfs/dbraw/zinc/75/59/45/624755945.db2.gz RTQYXEYEZNICOQ-SECBINFHSA-N -1 1 279.311 2.642 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cccc2cnccc12 ZINC000180921400 625048995 /nfs/dbraw/zinc/04/89/95/625048995.db2.gz IPMQJMUIXLZDEJ-WDZFZDKYSA-N -1 1 272.354 2.724 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cnc(C2CCC2)s1 ZINC000760209698 626719644 /nfs/dbraw/zinc/71/96/44/626719644.db2.gz DIUGXPSQDTVTEW-XBXARRHUSA-N -1 1 282.415 2.899 20 10 CFCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)cnc1Cl ZINC000760211738 626720080 /nfs/dbraw/zinc/72/00/80/626720080.db2.gz PPORJGBQPAYAJQ-XVNBXDOJSA-N -1 1 270.766 2.532 20 10 CFCDMM NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775637992 628048404 /nfs/dbraw/zinc/04/84/04/628048404.db2.gz VASILULKGXIHKP-UHFFFAOYSA-N -1 1 294.713 2.896 20 10 CFCDMM C[C@@H]1COCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775707642 628058026 /nfs/dbraw/zinc/05/80/26/628058026.db2.gz XMJQACXRXADAAF-SECBINFHSA-N -1 1 273.735 2.796 20 10 CFCDMM CC(C)C[C@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783422663 628706994 /nfs/dbraw/zinc/70/69/94/628706994.db2.gz LNMBMPROBNKTQI-NSHDSACASA-N -1 1 294.347 2.896 20 10 CFCDMM C[C@H](Cc1cccs1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789971103 629200827 /nfs/dbraw/zinc/20/08/27/629200827.db2.gz NOTWAIFDZSOFBP-MRVPVSSYSA-N -1 1 295.335 2.659 20 10 CFCDMM O=C(N[C@H]1C[C@H]1c1ccccc1)c1c([O-])c(O)ccc1F ZINC000789972207 629200867 /nfs/dbraw/zinc/20/08/67/629200867.db2.gz FAVVKLVBANOZES-JQWIXIFHSA-N -1 1 287.290 2.523 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(C(F)(F)F)[nH]1 ZINC000806566007 630813669 /nfs/dbraw/zinc/81/36/69/630813669.db2.gz WIFNTSZXEMYZPE-HWKANZROSA-N -1 1 278.280 2.522 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1CO ZINC000857060505 635921178 /nfs/dbraw/zinc/92/11/78/635921178.db2.gz AMMZXLYXGIMRNT-VHSXEESVSA-N -1 1 287.762 2.635 20 10 CFCDMM NC(=O)Cc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000158044809 650221275 /nfs/dbraw/zinc/22/12/75/650221275.db2.gz WKMDVCBJKVRQQN-UHFFFAOYSA-N -1 1 290.750 2.686 20 10 CFCDMM CC(C)(C)C(F)(F)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000857334250 635966725 /nfs/dbraw/zinc/96/67/25/635966725.db2.gz QCOFNPQVFGDCST-UHFFFAOYSA-N -1 1 291.269 2.648 20 10 CFCDMM CCC(F)(F)CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000858506946 636277067 /nfs/dbraw/zinc/27/70/67/636277067.db2.gz KDDFOYZOAVCYOO-VIFPVBQESA-N -1 1 287.306 2.875 20 10 CFCDMM C/C=C\CNC(=O)NCc1cccc(Br)c1[O-] ZINC000858889013 636372690 /nfs/dbraw/zinc/37/26/90/636372690.db2.gz WYLIJLQRLUUTJY-IHWYPQMZSA-N -1 1 299.168 2.530 20 10 CFCDMM COc1cccc2cc(C=C3SC(=S)[N-]C3=O)oc21 ZINC000215521202 650265823 /nfs/dbraw/zinc/26/58/23/650265823.db2.gz FKVUEYJKUDZTPS-UXBLZVDNSA-N -1 1 291.353 2.930 20 10 CFCDMM [O-]c1c(Br)cccc1CNc1ncccn1 ZINC000187916662 650306698 /nfs/dbraw/zinc/30/66/98/650306698.db2.gz OBLOJVLWVIGQNB-UHFFFAOYSA-N -1 1 280.125 2.557 20 10 CFCDMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1SC ZINC000874928975 642555368 /nfs/dbraw/zinc/55/53/68/642555368.db2.gz YRJBZZZOQLJJSN-UXBLZVDNSA-N -1 1 281.358 2.741 20 10 CFCDMM CCn1ccnc1[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877571231 643369946 /nfs/dbraw/zinc/36/99/46/643369946.db2.gz ZMSDEYYYDWGPGH-SECBINFHSA-N -1 1 281.306 2.738 20 10 CFCDMM O=C1N(c2ccccc2)[C@H](c2cccc(F)c2[O-])NC12CC2 ZINC000877858656 643609605 /nfs/dbraw/zinc/60/96/05/643609605.db2.gz KGCRLMMHMQFSEV-OAHLLOKOSA-N -1 1 298.317 2.699 20 10 CFCDMM Cn1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000213194922 645478623 /nfs/dbraw/zinc/47/86/23/645478623.db2.gz KLJFROVEFPQSMS-UHFFFAOYSA-N -1 1 286.162 2.722 20 10 CFCDMM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1csnn1 ZINC000886626919 647076589 /nfs/dbraw/zinc/07/65/89/647076589.db2.gz ODLPSNQJBDGHQW-SFYZADRCSA-N -1 1 267.329 2.795 20 10 CFCDMM C[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)C1 ZINC001231451985 777224634 /nfs/dbraw/zinc/22/46/34/777224634.db2.gz AAQSKTHRPDLRJF-QWRGUYRKSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)C1 ZINC001231451985 777224642 /nfs/dbraw/zinc/22/46/42/777224642.db2.gz AAQSKTHRPDLRJF-QWRGUYRKSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1cc(Br)cc(F)c1CN1C[C@@H]2C[C@@H]2C1 ZINC001233029053 777770190 /nfs/dbraw/zinc/77/01/90/777770190.db2.gz YTWHIBHLXQLQQW-OCAPTIKFSA-N -1 1 286.144 2.746 20 10 CFCDMM CC(C)[C@@H]1COCCN1Cc1c([O-])ccc(F)c1F ZINC001233335327 777893105 /nfs/dbraw/zinc/89/31/05/777893105.db2.gz QJVVTHOZHZCBIB-LBPRGKRZSA-N -1 1 271.307 2.527 20 10 CFCDMM Cc1cc2c(cn1)CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233335234 777894321 /nfs/dbraw/zinc/89/43/21/777894321.db2.gz MZUNBQORTBBYTO-UHFFFAOYSA-N -1 1 276.286 2.890 20 10 CFCDMM C[C@]1(F)CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1F ZINC001233332573 777894730 /nfs/dbraw/zinc/89/47/30/777894730.db2.gz PLOZCJLOJUISGK-AAEUAGOBSA-N -1 1 277.261 2.942 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001234475357 778234118 /nfs/dbraw/zinc/23/41/18/778234118.db2.gz GGCLGXCPAGNUOZ-GWCFXTLKSA-N -1 1 268.284 2.960 20 10 CFCDMM COC1CCC(Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234474283 778234206 /nfs/dbraw/zinc/23/42/06/778234206.db2.gz QRRMLEBJQJYBCC-UHFFFAOYSA-N -1 1 280.320 2.637 20 10 CFCDMM C[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1F ZINC001142509148 778395801 /nfs/dbraw/zinc/39/58/01/778395801.db2.gz YSCMMQNBBAHFHP-PRHODGIISA-N -1 1 259.271 2.850 20 10 CFCDMM C[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792664 778939406 /nfs/dbraw/zinc/93/94/06/778939406.db2.gz GLFCWZLQNNJEKU-ZDUSSCGKSA-N -1 1 290.190 2.903 20 10 CFCDMM COc1cc([O-])c(CN2CCC(=O)C[C@@H]2C)c(Cl)c1 ZINC001236798120 778941606 /nfs/dbraw/zinc/94/16/06/778941606.db2.gz LNFZRFLSDYNINP-VIFPVBQESA-N -1 1 283.755 2.608 20 10 CFCDMM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CF)c(Cl)c1 ZINC001236798936 778942884 /nfs/dbraw/zinc/94/28/84/778942884.db2.gz QKHGOESCGXBVMP-IUCAKERBSA-N -1 1 291.725 2.936 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@@H]1F ZINC001237122045 779017275 /nfs/dbraw/zinc/01/72/75/779017275.db2.gz REMNVJBETZRCOY-XCBNKYQSSA-N -1 1 261.699 2.975 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237124708 779019807 /nfs/dbraw/zinc/01/98/07/779019807.db2.gz RPKSHJGGERLWON-LAEOZQHASA-N -1 1 273.710 2.975 20 10 CFCDMM Cc1cc(CN(C)Cc2c([O-])ccc(F)c2Cl)n(C)n1 ZINC001237125975 779019966 /nfs/dbraw/zinc/01/99/66/779019966.db2.gz XBYPOYUWTHJGLW-UHFFFAOYSA-N -1 1 297.761 2.859 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC2(CSC2)C1 ZINC001237624121 779147514 /nfs/dbraw/zinc/14/75/14/779147514.db2.gz YZOVTOJAXUHTBN-UHFFFAOYSA-N -1 1 273.760 2.734 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCCC1=O ZINC001237935752 779210847 /nfs/dbraw/zinc/21/08/47/779210847.db2.gz YNTMKKQOHZVYIK-SECBINFHSA-N -1 1 285.746 2.986 20 10 CFCDMM C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799264 779640054 /nfs/dbraw/zinc/64/00/54/779640054.db2.gz NAORXUQATRUWNU-UWVGGRQHSA-N -1 1 287.190 2.587 20 10 CFCDMM CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000184920528 283112547 /nfs/dbraw/zinc/11/25/47/283112547.db2.gz OFKSTTYVVWUILL-UHFFFAOYSA-N -1 1 299.754 2.545 20 10 CFCDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000184920528 283112552 /nfs/dbraw/zinc/11/25/52/283112552.db2.gz OFKSTTYVVWUILL-UHFFFAOYSA-N -1 1 299.754 2.545 20 10 CFCDMM CCC1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295304068 382612390 /nfs/dbraw/zinc/61/23/90/382612390.db2.gz RFXWZVGXPAJFKC-UHFFFAOYSA-N -1 1 281.327 2.889 20 10 CFCDMM C[C@@]1(O)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000369557024 267250950 /nfs/dbraw/zinc/25/09/50/267250950.db2.gz RIBREJBKCVGONC-CQSZACIVSA-N -1 1 287.762 2.922 20 10 CFCDMM CC(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277545467 519596274 /nfs/dbraw/zinc/59/62/74/519596274.db2.gz NUAUZKRHEMNSDI-UHFFFAOYSA-N -1 1 286.169 2.817 20 10 CFCDMM CCc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756607989 574251694 /nfs/dbraw/zinc/25/16/94/574251694.db2.gz OMSPEWCPLNZUHQ-SECBINFHSA-N -1 1 291.307 2.702 20 10 CFCDMM O=C([O-])[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086790253 598128736 /nfs/dbraw/zinc/12/87/36/598128736.db2.gz JKFQGHZZNGIABE-SSDOTTSWSA-N -1 1 290.146 2.606 20 10 CFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000821515640 598183115 /nfs/dbraw/zinc/18/31/15/598183115.db2.gz KVEXXXZKLSJVHQ-JTQLQIEISA-N -1 1 283.755 2.732 20 10 CFCDMM CC(C)C[N@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833486757 604578600 /nfs/dbraw/zinc/57/86/00/604578600.db2.gz QQCSLQWNKWTXJT-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833486757 604578604 /nfs/dbraw/zinc/57/86/04/604578604.db2.gz QQCSLQWNKWTXJT-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000834220613 605990414 /nfs/dbraw/zinc/99/04/14/605990414.db2.gz QBHJWUDLJNPCCH-NSHDSACASA-N -1 1 298.770 2.668 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ocnc1C1CC1 ZINC000890759143 617836796 /nfs/dbraw/zinc/83/67/96/617836796.db2.gz DOOXCWGMAJVANR-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM CO[C@@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759871 617837159 /nfs/dbraw/zinc/83/71/59/617837159.db2.gz TWVAVKFDGKSXDF-CMPLNLGQSA-N -1 1 297.782 2.867 20 10 CFCDMM CC(C)(C(=O)NCc1cccc(Cl)c1[O-])C(F)F ZINC000890759530 617837319 /nfs/dbraw/zinc/83/73/19/617837319.db2.gz NAQWMFJLLLCBCZ-UHFFFAOYSA-N -1 1 277.698 2.953 20 10 CFCDMM CC(C)n1ccc(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890760724 617838758 /nfs/dbraw/zinc/83/87/58/617838758.db2.gz XXTVLVVLONSXPH-UHFFFAOYSA-N -1 1 293.754 2.753 20 10 CFCDMM CC[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759989 617839175 /nfs/dbraw/zinc/83/91/75/617839175.db2.gz YCRGJVURIIORFP-JQWIXIFHSA-N -1 1 297.782 2.867 20 10 CFCDMM O=C(CSC1CC1)NCc1cccc(Cl)c1[O-] ZINC000890761480 617840934 /nfs/dbraw/zinc/84/09/34/617840934.db2.gz TUVUHHWUPCCYCL-UHFFFAOYSA-N -1 1 271.769 2.557 20 10 CFCDMM CC(C)[C@@H](F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760030 617835834 /nfs/dbraw/zinc/83/58/34/617835834.db2.gz YZDXHBGHNMSMFY-SNVBAGLBSA-N -1 1 259.708 2.656 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnn(C2CC2)c1 ZINC000890760970 617839659 /nfs/dbraw/zinc/83/96/59/617839659.db2.gz GUFHRDOSAVXGOR-UHFFFAOYSA-N -1 1 291.738 2.507 20 10 CFCDMM C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760322 617839963 /nfs/dbraw/zinc/83/99/63/617839963.db2.gz OJEFFMKDHJREQZ-JOYOIKCWSA-N -1 1 295.766 2.667 20 10 CFCDMM CCC(F)(F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761451 617840166 /nfs/dbraw/zinc/84/01/66/617840166.db2.gz SONYMCPKGYGIQQ-UHFFFAOYSA-N -1 1 263.671 2.707 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(C2CC2)CC1 ZINC000890763173 617843236 /nfs/dbraw/zinc/84/32/36/617843236.db2.gz PUQASNXTEFFAKJ-UHFFFAOYSA-N -1 1 265.740 2.852 20 10 CFCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000892306496 618103582 /nfs/dbraw/zinc/10/35/82/618103582.db2.gz VSPHNVUKGRLPFC-VIFPVBQESA-N -1 1 282.771 2.891 20 10 CFCDMM CC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1C ZINC000193149219 618453035 /nfs/dbraw/zinc/45/30/35/618453035.db2.gz SHWHMCCZBDUTJO-UHFFFAOYSA-N -1 1 285.299 2.861 20 10 CFCDMM O=C(NCCCCF)NCc1cccc(Cl)c1[O-] ZINC000894997550 619524675 /nfs/dbraw/zinc/52/46/75/619524675.db2.gz UGAFUVJDIDWQJX-UHFFFAOYSA-N -1 1 274.723 2.595 20 10 CFCDMM Oc1cccc(F)c1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000896638597 619780961 /nfs/dbraw/zinc/78/09/61/619780961.db2.gz JWEYZMLZKGWTSW-UHFFFAOYSA-N -1 1 275.327 2.743 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NC2(C(F)F)CC2)c1 ZINC000800502078 620193769 /nfs/dbraw/zinc/19/37/69/620193769.db2.gz LZGAVGPBGPWGEP-MRVPVSSYSA-N -1 1 285.290 2.627 20 10 CFCDMM O=C(CSc1nccs1)c1ccc([O-])c(O)c1 ZINC000040677191 620418335 /nfs/dbraw/zinc/41/83/35/620418335.db2.gz XQSVYYZVOUXLDF-UHFFFAOYSA-N -1 1 267.331 2.529 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(F)c(F)c(F)c1 ZINC000076106262 625426938 /nfs/dbraw/zinc/42/69/38/625426938.db2.gz LAHWHNRQWQJYKF-CLTKARDFSA-N -1 1 275.276 2.593 20 10 CFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000929921608 624227273 /nfs/dbraw/zinc/22/72/73/624227273.db2.gz VPNHSMVWEXBTSF-QMMMGPOBSA-N -1 1 268.744 2.643 20 10 CFCDMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086803480 626418231 /nfs/dbraw/zinc/41/82/31/626418231.db2.gz PTACRCCXKXPHTA-SNVBAGLBSA-N -1 1 292.162 2.994 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cncc2ccccc12 ZINC000772802119 627747409 /nfs/dbraw/zinc/74/74/09/627747409.db2.gz KWEJAQXLGYCIKX-VZUCSPMQSA-N -1 1 272.354 2.724 20 10 CFCDMM C[C@H]1COCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775707644 628057680 /nfs/dbraw/zinc/05/76/80/628057680.db2.gz XMJQACXRXADAAF-VIFPVBQESA-N -1 1 273.735 2.796 20 10 CFCDMM Cn1cc(NCc2cc(Cl)cc(F)c2[O-])cn1 ZINC000776171434 628110505 /nfs/dbraw/zinc/11/05/05/628110505.db2.gz SLMCHBCHHVPWQD-UHFFFAOYSA-N -1 1 255.680 2.530 20 10 CFCDMM CN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1[O-] ZINC000778519594 628312316 /nfs/dbraw/zinc/31/23/16/628312316.db2.gz JCTNPGKLVYJZBV-CQSZACIVSA-N -1 1 272.279 2.728 20 10 CFCDMM O=C(COC(=O)C1CCCCCC1)c1ccc([O-])c(O)c1 ZINC000783372630 628701806 /nfs/dbraw/zinc/70/18/06/628701806.db2.gz OSVOXPFQJBCQDI-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM C[C@@H]1CCC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783854872 628750243 /nfs/dbraw/zinc/75/02/43/628750243.db2.gz KFWTVKRYVAFKKM-ZYHUDNBSSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@H]1CC[C@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784118097 628779229 /nfs/dbraw/zinc/77/92/29/628779229.db2.gz PUOVSAQRAJEDFK-QWRGUYRKSA-N -1 1 292.331 2.650 20 10 CFCDMM CC(C)C[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784737616 628839517 /nfs/dbraw/zinc/83/95/17/628839517.db2.gz ZQJDQCFYNGJLTP-JTQLQIEISA-N -1 1 280.320 2.506 20 10 CFCDMM CN(Cc1ccc(F)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789938364 629198705 /nfs/dbraw/zinc/19/87/05/629198705.db2.gz BCRKIONFYFHZMR-UHFFFAOYSA-N -1 1 293.269 2.648 20 10 CFCDMM O=C(NCCCC1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000789954515 629199649 /nfs/dbraw/zinc/19/96/49/629199649.db2.gz LDQRMUYUYQFUIF-UHFFFAOYSA-N -1 1 281.327 2.937 20 10 CFCDMM CC(C)CC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789953583 629199841 /nfs/dbraw/zinc/19/98/41/629199841.db2.gz WJFQFHXRPYSGGX-SECBINFHSA-N -1 1 269.316 2.791 20 10 CFCDMM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789987766 629202223 /nfs/dbraw/zinc/20/22/23/629202223.db2.gz VUSWMQMCVRUKIJ-JQWIXIFHSA-N -1 1 293.338 2.936 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](C2CCCC2)C1 ZINC000817766035 632709572 /nfs/dbraw/zinc/70/95/72/632709572.db2.gz LNAIVPDHILGYBU-NSHDSACASA-N -1 1 293.338 2.889 20 10 CFCDMM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c1O ZINC000817881160 632717655 /nfs/dbraw/zinc/71/76/55/632717655.db2.gz GSWBCWHDKDOHHR-JOYOIKCWSA-N -1 1 297.782 2.897 20 10 CFCDMM [O-]c1c(Cl)cccc1CNc1cnn(CCF)c1 ZINC000862483487 637399283 /nfs/dbraw/zinc/39/92/83/637399283.db2.gz OEZUXJMKCABHLK-UHFFFAOYSA-N -1 1 269.707 2.824 20 10 CFCDMM Cc1noc(C)c1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000876611314 642943863 /nfs/dbraw/zinc/94/38/63/642943863.db2.gz BWTCAGBTWJWTRU-UHFFFAOYSA-N -1 1 282.290 2.907 20 10 CFCDMM Cc1ccc(CN(CCO)Cc2ccc(F)c(F)c2[O-])o1 ZINC000877492048 643305559 /nfs/dbraw/zinc/30/55/59/643305559.db2.gz FIVZRQPFMZKTGN-UHFFFAOYSA-N -1 1 297.301 2.566 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cnn(CC(F)F)c1 ZINC000883050802 645583453 /nfs/dbraw/zinc/58/34/53/645583453.db2.gz AUWFHZHXLYZOHG-UHFFFAOYSA-N -1 1 289.232 2.744 20 10 CFCDMM COC[C@H](C)n1ccc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000883093651 645602714 /nfs/dbraw/zinc/60/27/14/645602714.db2.gz BMPGZIWQWUWFCV-VIFPVBQESA-N -1 1 297.305 2.686 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc2occc2c1 ZINC000215403108 646378558 /nfs/dbraw/zinc/37/85/58/646378558.db2.gz GNQYZNONZWNPAL-POHAHGRESA-N -1 1 261.327 2.922 20 10 CFCDMM C[C@H](NCc1ncnn1C(C)(C)C)c1c([O-])cccc1F ZINC000886606832 647064232 /nfs/dbraw/zinc/06/42/32/647064232.db2.gz HDBWGMOGCCNTEA-JTQLQIEISA-N -1 1 292.358 2.729 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)(C)C ZINC001231452099 777224501 /nfs/dbraw/zinc/22/45/01/777224501.db2.gz DDHCABAVIDYOGZ-UHFFFAOYSA-N -1 1 251.326 2.568 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)(C)C ZINC001231452099 777224492 /nfs/dbraw/zinc/22/44/92/777224492.db2.gz DDHCABAVIDYOGZ-UHFFFAOYSA-N -1 1 251.326 2.568 20 10 CFCDMM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCCC1=O ZINC001231909939 777380167 /nfs/dbraw/zinc/38/01/67/777380167.db2.gz UASZMFSWVJYXFI-SNVBAGLBSA-N -1 1 267.756 2.847 20 10 CFCDMM [O-]c1cc(Br)cc(F)c1CN1CCCC1 ZINC001233026965 777769917 /nfs/dbraw/zinc/76/99/17/777769917.db2.gz JNYXLBZWSFWQDU-UHFFFAOYSA-N -1 1 274.133 2.890 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCCC(F)(F)C1 ZINC001233331839 777890315 /nfs/dbraw/zinc/89/03/15/777890315.db2.gz MWIANANHOHDHCR-UHFFFAOYSA-N -1 1 263.234 2.902 20 10 CFCDMM CC1(F)CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416713 777943414 /nfs/dbraw/zinc/94/34/14/777943414.db2.gz SMBPZXYONSIXMR-UHFFFAOYSA-N -1 1 263.234 2.955 20 10 CFCDMM [O-]c1c(CN2CCn3nccc3C2)cccc1C(F)(F)F ZINC001233419101 777943662 /nfs/dbraw/zinc/94/36/62/777943662.db2.gz JGAKZPAHCXDFQC-UHFFFAOYSA-N -1 1 297.280 2.623 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OCC[C@H](C)OC ZINC001233497623 777968736 /nfs/dbraw/zinc/96/87/36/777968736.db2.gz QAGMMZBZHIUKFO-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM CC(C)[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142527449 778402656 /nfs/dbraw/zinc/40/26/56/778402656.db2.gz VAMDGLPHBOODOK-CQSZACIVSA-N -1 1 271.307 2.527 20 10 CFCDMM Cc1nc2c(o1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142534439 778403873 /nfs/dbraw/zinc/40/38/73/778403873.db2.gz JRJQMOYCGUPVRJ-UHFFFAOYSA-N -1 1 280.274 2.525 20 10 CFCDMM CC1CN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235297552 778448533 /nfs/dbraw/zinc/44/85/33/778448533.db2.gz NFNNILRFOYNFNB-UHFFFAOYSA-N -1 1 274.133 2.746 20 10 CFCDMM [O-]c1cc(F)cc(F)c1Nc1ccncc1Cl ZINC001212155731 778762244 /nfs/dbraw/zinc/76/22/44/778762244.db2.gz VVCSYHCCEQASRC-UHFFFAOYSA-N -1 1 256.639 2.884 20 10 CFCDMM C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC001236795023 778941041 /nfs/dbraw/zinc/94/10/41/778941041.db2.gz ZZJFGRMPKBEZKB-QMMMGPOBSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(COC2)C1 ZINC001237076974 779004553 /nfs/dbraw/zinc/00/45/53/779004553.db2.gz BEMXUQHNRBLWPY-UHFFFAOYSA-N -1 1 274.147 2.531 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@@H](C)O1 ZINC001237122715 779020244 /nfs/dbraw/zinc/02/02/44/779020244.db2.gz XENVMLNVJJOOBO-RKDXNWHRSA-N -1 1 273.735 2.794 20 10 CFCDMM CN(Cc1c([O-])ccc(F)c1Cl)CC(F)F ZINC001237129345 779020903 /nfs/dbraw/zinc/02/09/03/779020903.db2.gz XMZZLEBBWBYBTN-UHFFFAOYSA-N -1 1 253.651 2.882 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H]1CCCO1 ZINC001233498684 779046020 /nfs/dbraw/zinc/04/60/20/779046020.db2.gz UYVFRVNGMFRHET-SNVBAGLBSA-N -1 1 280.320 2.638 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H](F)[C@H](F)C1 ZINC001237933466 779209344 /nfs/dbraw/zinc/20/93/44/779209344.db2.gz CDQHXUFGGHBIHL-NXEZZACHSA-N -1 1 265.662 2.677 20 10 CFCDMM C[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCCC1=O ZINC001237935753 779210982 /nfs/dbraw/zinc/21/09/82/779210982.db2.gz YNTMKKQOHZVYIK-VIFPVBQESA-N -1 1 285.746 2.986 20 10 CFCDMM Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237935278 779211720 /nfs/dbraw/zinc/21/17/20/779211720.db2.gz UODYIUHZGBCZFU-CQSZACIVSA-N -1 1 285.746 2.940 20 10 CFCDMM CC[C@@]12C[C@@H](CO1)N(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237949871 779214338 /nfs/dbraw/zinc/21/43/38/779214338.db2.gz NSCHDNXJGVLTPD-HZMBPMFUSA-N -1 1 285.746 2.938 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C(C)C)c1[O-] ZINC000297083609 200080922 /nfs/dbraw/zinc/08/09/22/200080922.db2.gz VCZKQDKJAFQNFI-UHFFFAOYSA-N -1 1 299.754 2.543 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CC(=O)[O-])C(C)C)c1[O-] ZINC000297083609 200080924 /nfs/dbraw/zinc/08/09/24/200080924.db2.gz VCZKQDKJAFQNFI-UHFFFAOYSA-N -1 1 299.754 2.543 20 10 CFCDMM CCCN(Cc1ccccc1O)C(=O)c1cncc([O-])c1 ZINC000111592998 375856069 /nfs/dbraw/zinc/85/60/69/375856069.db2.gz MCDGKOATKWOSDZ-UHFFFAOYSA-N -1 1 286.331 2.545 20 10 CFCDMM Cc1ccc(O)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000155187793 378615485 /nfs/dbraw/zinc/61/54/85/378615485.db2.gz ZWSLTIBXLUHDCS-UHFFFAOYSA-N -1 1 285.391 2.794 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCOC[C@@H]1C1CC1 ZINC000180426589 380656715 /nfs/dbraw/zinc/65/67/15/380656715.db2.gz JBLBNIGTCWJYCK-CYBMUJFWSA-N -1 1 267.756 2.656 20 10 CFCDMM Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)no1 ZINC000373122999 381933420 /nfs/dbraw/zinc/93/34/20/381933420.db2.gz HLHXQRWFGQRSJP-GFCCVEGCSA-N -1 1 291.326 2.602 20 10 CFCDMM Oc1ccc(F)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000293834255 382297620 /nfs/dbraw/zinc/29/76/20/382297620.db2.gz ATOYIUZVQQTRAT-CVEARBPZSA-N -1 1 277.339 2.675 20 10 CFCDMM CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nncn1C ZINC000287006648 385760703 /nfs/dbraw/zinc/76/07/03/385760703.db2.gz RGGORIHIEGMHPI-ZDUSSCGKSA-N -1 1 288.395 2.884 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287138711 385787093 /nfs/dbraw/zinc/78/70/93/385787093.db2.gz ANAVEWDYJMVGCE-HTQZYQBOSA-N -1 1 291.269 2.780 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H](C2CC2)C1 ZINC000364496954 394221447 /nfs/dbraw/zinc/22/14/47/394221447.db2.gz WIJSHLRHTWTXFA-CYBMUJFWSA-N -1 1 267.756 2.656 20 10 CFCDMM C[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@@H](C)C1 ZINC000295557343 394301135 /nfs/dbraw/zinc/30/11/35/394301135.db2.gz VGDNTEBFFQVOJK-UWVGGRQHSA-N -1 1 281.327 2.745 20 10 CFCDMM COc1cc(Cl)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000184687899 262292448 /nfs/dbraw/zinc/29/24/48/262292448.db2.gz AHHHNTUTVWWWMQ-JTQLQIEISA-N -1 1 285.771 2.665 20 10 CFCDMM CCOC(=O)[C@@H](NCc1cccc(F)c1[O-])[C@@H](C)CC ZINC000276484980 521083560 /nfs/dbraw/zinc/08/35/60/521083560.db2.gz OZAXZUBZGVMKOF-GWCFXTLKSA-N -1 1 283.343 2.599 20 10 CFCDMM C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627513 524311486 /nfs/dbraw/zinc/31/14/86/524311486.db2.gz SBRKVQAWAKWQJN-RKDXNWHRSA-N -1 1 267.300 2.545 20 10 CFCDMM C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC12CCC2 ZINC000297670054 524479523 /nfs/dbraw/zinc/47/95/23/524479523.db2.gz ZTKTXMUCGSKPKG-SNVBAGLBSA-N -1 1 293.338 2.889 20 10 CFCDMM CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360402 574209936 /nfs/dbraw/zinc/20/99/36/574209936.db2.gz UWTUAOOBNHZERI-ZDUSSCGKSA-N -1 1 292.379 2.604 20 10 CFCDMM CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360402 574209937 /nfs/dbraw/zinc/20/99/37/574209937.db2.gz UWTUAOOBNHZERI-ZDUSSCGKSA-N -1 1 292.379 2.604 20 10 CFCDMM C[N@@H+](CCCNC(=O)[O-])Cc1c(O)ccc2ccccc21 ZINC000739681500 574222952 /nfs/dbraw/zinc/22/29/52/574222952.db2.gz FNAJJIZNNQHMBF-UHFFFAOYSA-N -1 1 288.347 2.635 20 10 CFCDMM C[N@H+](CCCNC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000739681500 574222958 /nfs/dbraw/zinc/22/29/58/574222958.db2.gz FNAJJIZNNQHMBF-UHFFFAOYSA-N -1 1 288.347 2.635 20 10 CFCDMM C[N@@H+](CCCNC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000739681500 574222963 /nfs/dbraw/zinc/22/29/63/574222963.db2.gz FNAJJIZNNQHMBF-UHFFFAOYSA-N -1 1 288.347 2.635 20 10 CFCDMM O=C([O-])C1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000128810267 600652428 /nfs/dbraw/zinc/65/24/28/600652428.db2.gz CIPUVYXBVZERIX-UHFFFAOYSA-N -1 1 283.755 2.779 20 10 CFCDMM O=C([O-])NCC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000834223500 605488169 /nfs/dbraw/zinc/48/81/69/605488169.db2.gz ACWVFJWACUNLCY-UHFFFAOYSA-N -1 1 298.770 2.525 20 10 CFCDMM O=C([O-])NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834221349 605556216 /nfs/dbraw/zinc/55/62/16/605556216.db2.gz RMWKUOXUOVJPGP-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834221349 605556218 /nfs/dbraw/zinc/55/62/18/605556218.db2.gz RMWKUOXUOVJPGP-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759961 617838499 /nfs/dbraw/zinc/83/84/99/617838499.db2.gz XFLWCIBCECQYTD-QWRGUYRKSA-N -1 1 267.756 2.954 20 10 CFCDMM COCCC[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760753 617838776 /nfs/dbraw/zinc/83/87/76/617838776.db2.gz YNUJNXODDVKMFD-JTQLQIEISA-N -1 1 285.771 2.725 20 10 CFCDMM O=C(CC1(O)CCCCC1)NCc1cccc(Cl)c1[O-] ZINC000890760418 617838864 /nfs/dbraw/zinc/83/88/64/617838864.db2.gz RHOHFLRIDXXDCL-UHFFFAOYSA-N -1 1 297.782 2.747 20 10 CFCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1C ZINC000890758320 617835825 /nfs/dbraw/zinc/83/58/25/617835825.db2.gz VJZDMEHOMGNIAU-UHFFFAOYSA-N -1 1 292.766 2.931 20 10 CFCDMM CCn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC000890763473 617844038 /nfs/dbraw/zinc/84/40/38/617844038.db2.gz WVUBLFHOUHDREK-UHFFFAOYSA-N -1 1 293.754 2.500 20 10 CFCDMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(C2CCCC2)n1 ZINC000901415853 620812222 /nfs/dbraw/zinc/81/22/22/620812222.db2.gz AUVYJLYDMMWEDA-UXBLZVDNSA-N -1 1 293.417 2.567 20 10 CFCDMM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1C ZINC000726876372 619267146 /nfs/dbraw/zinc/26/71/46/619267146.db2.gz PVDDEMOATTYJTN-WJDWOHSUSA-N -1 1 292.338 2.765 20 10 CFCDMM CC[C@@H]1C[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894588260 619425296 /nfs/dbraw/zinc/42/52/96/619425296.db2.gz NJKXKOCZLHDVDZ-LDYMZIIASA-N -1 1 268.744 2.643 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1O ZINC000897684505 620270996 /nfs/dbraw/zinc/27/09/96/620270996.db2.gz QKKXVWHWZOEOAC-CPCISQLKSA-N -1 1 276.163 2.512 20 10 CFCDMM O=S(=O)(CCCCF)Nc1cc(F)c([O-])cc1Cl ZINC000901962227 620946407 /nfs/dbraw/zinc/94/64/07/620946407.db2.gz CZMNETMMQCEEEX-UHFFFAOYSA-N -1 1 299.726 2.676 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(C2CC2)o1 ZINC000905405423 621759751 /nfs/dbraw/zinc/75/97/51/621759751.db2.gz BOLQFWCKGVDISX-UHFFFAOYSA-N -1 1 267.235 2.543 20 10 CFCDMM Oc1cc(Br)ccc1C[N@H+](C1CC1)C1COC1 ZINC000826030287 623784397 /nfs/dbraw/zinc/78/43/97/623784397.db2.gz VJBFZOXHDLDSNV-UHFFFAOYSA-N -1 1 298.180 2.518 20 10 CFCDMM O=C(N[C@@H]1CCCC(F)(F)C1)c1c([O-])c(O)ccc1F ZINC000827060215 623933931 /nfs/dbraw/zinc/93/39/31/623933931.db2.gz SQTJNFVKEYHQFR-SSDOTTSWSA-N -1 1 289.253 2.545 20 10 CFCDMM C[C@@H]1CC[C@]2(CCN(C(=O)c3c([O-])c(O)ccc3F)C2)C1 ZINC000828183763 624194962 /nfs/dbraw/zinc/19/49/62/624194962.db2.gz HLCUTLDLEBEQCR-HWPZZCPQSA-N -1 1 293.338 2.889 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1nc2c(s1)CCCC2 ZINC000776264004 628123927 /nfs/dbraw/zinc/12/39/27/628123927.db2.gz VJWPKIQAWIRKPQ-VMPITWQZSA-N -1 1 282.415 2.511 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1O ZINC000776747840 628174270 /nfs/dbraw/zinc/17/42/70/628174270.db2.gz NSFDBTMTSWNWDY-UHFFFAOYSA-N -1 1 295.335 2.949 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Cl)nc1Cl ZINC000779357683 628376412 /nfs/dbraw/zinc/37/64/12/628376412.db2.gz IWFVOWLSMYHPIQ-HWKANZROSA-N -1 1 291.184 2.877 20 10 CFCDMM O=C(C=C1CCCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783139602 628678309 /nfs/dbraw/zinc/67/83/09/628678309.db2.gz YBLWYHARSMGQLX-UHFFFAOYSA-N -1 1 290.315 2.714 20 10 CFCDMM CCC/C(C)=C\C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783179627 628682429 /nfs/dbraw/zinc/68/24/29/628682429.db2.gz VKFDKVCSWBVIDQ-YFHOEESVSA-N -1 1 278.304 2.570 20 10 CFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCC1 ZINC000784013015 628763024 /nfs/dbraw/zinc/76/30/24/628763024.db2.gz INHUDGUFRFNOSB-JTQLQIEISA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H]1CC/C(=C\C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784072155 628772314 /nfs/dbraw/zinc/77/23/14/628772314.db2.gz UYUVQKINDRLADN-UEUZTHOGSA-N -1 1 290.315 2.570 20 10 CFCDMM CCCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000784116895 628779190 /nfs/dbraw/zinc/77/91/90/628779190.db2.gz IOYBWLKFAYLBRT-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM C[C@@H]1CCC[C@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784753446 628841196 /nfs/dbraw/zinc/84/11/96/628841196.db2.gz HLYCNMGRPNLVCN-MNOVXSKESA-N -1 1 292.331 2.650 20 10 CFCDMM O=C(C[C@H]1C=CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784831632 628844516 /nfs/dbraw/zinc/84/45/16/628844516.db2.gz DIKKUDBXYAXHTE-NSHDSACASA-N -1 1 290.315 2.570 20 10 CFCDMM O=C(NCc1ccc(Cl)cc1)c1c([O-])c(O)ccc1F ZINC000789942856 629199200 /nfs/dbraw/zinc/19/92/00/629199200.db2.gz RMKURRZFDRUWBW-UHFFFAOYSA-N -1 1 295.697 2.820 20 10 CFCDMM CCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000790070502 629207985 /nfs/dbraw/zinc/20/79/85/629207985.db2.gz AHZRQOJXCHZQST-UHFFFAOYSA-N -1 1 281.327 2.937 20 10 CFCDMM Cc1cc(O)c(C[N@H+]2CCOC(C)(C)C2)c(Cl)c1 ZINC000840910856 631261172 /nfs/dbraw/zinc/26/11/72/631261172.db2.gz NJNQQMVWDFNJCJ-UHFFFAOYSA-N -1 1 269.772 2.965 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000843040926 631811029 /nfs/dbraw/zinc/81/10/29/631811029.db2.gz MDSJYOJGSGNODW-KOLCDFICSA-N -1 1 283.755 2.588 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC12CC2 ZINC000817597325 632674062 /nfs/dbraw/zinc/67/40/62/632674062.db2.gz VNHOHCSKUGOMSZ-VIFPVBQESA-N -1 1 296.164 2.571 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccn(CCF)n1 ZINC000865836296 638600815 /nfs/dbraw/zinc/60/08/15/638600815.db2.gz ZMIKJQNPJFOLFJ-UHFFFAOYSA-N -1 1 287.697 2.963 20 10 CFCDMM C[C@@H]1CSCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876735280 642987181 /nfs/dbraw/zinc/98/71/81/642987181.db2.gz CKTPFUAUGHESPK-MRVPVSSYSA-N -1 1 259.321 2.608 20 10 CFCDMM O=C(NCC1(CC2CC2)CC1)c1c(F)ccc(O)c1[O-] ZINC000881520880 645015842 /nfs/dbraw/zinc/01/58/42/645015842.db2.gz VIEDIPFCNSLHQF-UHFFFAOYSA-N -1 1 279.311 2.547 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCCCC1 ZINC001231449388 777221417 /nfs/dbraw/zinc/22/14/17/777221417.db2.gz YKPLDXNKJDATLU-UHFFFAOYSA-N -1 1 263.337 2.855 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCCCC1 ZINC001231449388 777221423 /nfs/dbraw/zinc/22/14/23/777221423.db2.gz YKPLDXNKJDATLU-UHFFFAOYSA-N -1 1 263.337 2.855 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2CCC3(CCC3)CC2)c([O-])c1 ZINC001231450029 777222261 /nfs/dbraw/zinc/22/22/61/777222261.db2.gz PJGGMYCMEJSTKL-UHFFFAOYSA-N -1 1 275.348 2.857 20 10 CFCDMM [O-]c1cc(O)c(CN2Cc3ccncc3C2)cc1Cl ZINC001232267755 777499596 /nfs/dbraw/zinc/49/95/96/777499596.db2.gz LHYXVDAWWSNANP-UHFFFAOYSA-N -1 1 276.723 2.662 20 10 CFCDMM Cc1noc([C@@H]2CCCN2Cc2c([O-])ccc(F)c2F)n1 ZINC001233335132 777892162 /nfs/dbraw/zinc/89/21/62/777892162.db2.gz INJMBNCMOWRWMD-NSHDSACASA-N -1 1 295.289 2.699 20 10 CFCDMM CC(C)[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CCO1 ZINC001233335851 777895934 /nfs/dbraw/zinc/89/59/34/777895934.db2.gz OAQOFXPCHOSUQE-ZDUSSCGKSA-N -1 1 271.307 2.527 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001142509102 778395525 /nfs/dbraw/zinc/39/55/25/778395525.db2.gz WXVKPIHKGCBFKL-LLVKDONJSA-N -1 1 281.224 2.850 20 10 CFCDMM Cc1nc2c(s1)CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142530747 778403154 /nfs/dbraw/zinc/40/31/54/778403154.db2.gz LEHKJXUOIZLLFC-UHFFFAOYSA-N -1 1 282.315 2.951 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H](F)C[C@H]1CO ZINC001236792454 778939744 /nfs/dbraw/zinc/93/97/44/778939744.db2.gz DKNKWVGBFFZYLN-IUCAKERBSA-N -1 1 294.153 2.604 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001237078337 779007220 /nfs/dbraw/zinc/00/72/20/779007220.db2.gz PVKBHPPYOSDYNS-GXSJLCMTSA-N -1 1 294.153 2.604 20 10 CFCDMM CN(Cc1cncnc1)Cc1c([O-])ccc(F)c1Cl ZINC001237128011 779013228 /nfs/dbraw/zinc/01/32/28/779013228.db2.gz LHNIWYSWVFHWGS-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)[C@@H](C)CO1 ZINC001237129406 779021751 /nfs/dbraw/zinc/02/17/51/779021751.db2.gz YJWJOOHDMJSSRE-DTWKUNHWSA-N -1 1 273.735 2.794 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCCC12COC2 ZINC001237126996 779021993 /nfs/dbraw/zinc/02/19/93/779021993.db2.gz RRSUFQQEUCIQTC-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)[C@H](C)CO1 ZINC001237131937 779022277 /nfs/dbraw/zinc/02/22/77/779022277.db2.gz YJWJOOHDMJSSRE-RKDXNWHRSA-N -1 1 273.735 2.794 20 10 CFCDMM CCO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237131923 779022757 /nfs/dbraw/zinc/02/27/57/779022757.db2.gz YHIWTBQVIRCXKW-SECBINFHSA-N -1 1 273.735 2.796 20 10 CFCDMM O=C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1F ZINC001237934655 779212154 /nfs/dbraw/zinc/21/21/54/779212154.db2.gz MJTPFUVYOPKHKN-JTQLQIEISA-N -1 1 289.709 2.688 20 10 CFCDMM CN(Cc1cc(F)c(Cl)cc1[O-])CC(F)F ZINC001237943563 779212576 /nfs/dbraw/zinc/21/25/76/779212576.db2.gz MUKHPHCCZUPEKY-UHFFFAOYSA-N -1 1 253.651 2.882 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001237085078 779663270 /nfs/dbraw/zinc/66/32/70/779663270.db2.gz UYNSAOVVELYTTB-OCAPTIKFSA-N -1 1 274.147 2.672 20 10 CFCDMM CCN(CC)c1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000263654847 383685231 /nfs/dbraw/zinc/68/52/31/383685231.db2.gz GWKBOGZKPZPHDQ-UHFFFAOYSA-N -1 1 274.286 2.711 20 10 CFCDMM COCCOC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000124833245 377093952 /nfs/dbraw/zinc/09/39/52/377093952.db2.gz VTAYCCDCWBBBDC-UHFFFAOYSA-N -1 1 299.798 2.673 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC2(C1)CCCCC2 ZINC000296697719 263195864 /nfs/dbraw/zinc/19/58/64/263195864.db2.gz DRFWKPPSUBNKET-UHFFFAOYSA-N -1 1 279.311 2.643 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1cc2n(n1)CCCC2 ZINC000368609478 328939102 /nfs/dbraw/zinc/93/91/02/328939102.db2.gz YNOJDVLHEZJVHN-UHFFFAOYSA-N -1 1 295.745 2.752 20 10 CFCDMM CC[C@@H](C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828747659 601825724 /nfs/dbraw/zinc/82/57/24/601825724.db2.gz RVTBSTWPWVTVOC-SNVBAGLBSA-N -1 1 285.771 2.978 20 10 CFCDMM CC[C@@H](C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828747659 601825722 /nfs/dbraw/zinc/82/57/22/601825722.db2.gz RVTBSTWPWVTVOC-SNVBAGLBSA-N -1 1 285.771 2.978 20 10 CFCDMM Clc1ccc(Sc2nccs2)nc1-c1nnn[n-]1 ZINC000822582474 606459660 /nfs/dbraw/zinc/45/96/60/606459660.db2.gz USPYHNHPEFPUJY-UHFFFAOYSA-N -1 1 296.768 2.523 20 10 CFCDMM Clc1ccc(Sc2nccs2)nc1-c1nn[n-]n1 ZINC000822582474 606459662 /nfs/dbraw/zinc/45/96/62/606459662.db2.gz USPYHNHPEFPUJY-UHFFFAOYSA-N -1 1 296.768 2.523 20 10 CFCDMM CC[C@@H](C)[C@H](OC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759827 617837113 /nfs/dbraw/zinc/83/71/13/617837113.db2.gz RNMKYGUWOOEIIN-RNCFNFMXSA-N -1 1 285.771 2.723 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCSCC1 ZINC000890760363 617838744 /nfs/dbraw/zinc/83/87/44/617838744.db2.gz POXREFRIBBEJSJ-UHFFFAOYSA-N -1 1 285.796 2.805 20 10 CFCDMM COCCC(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760019 617839185 /nfs/dbraw/zinc/83/91/85/617839185.db2.gz YTQZGPJRVQYQDH-UHFFFAOYSA-N -1 1 285.771 2.725 20 10 CFCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000890761743 617841716 /nfs/dbraw/zinc/84/17/16/617841716.db2.gz WJFURBUTNXAQPX-GWCFXTLKSA-N -1 1 297.782 2.867 20 10 CFCDMM CC(C)[C@H](F)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760029 617835712 /nfs/dbraw/zinc/83/57/12/617835712.db2.gz YZDXHBGHNMSMFY-JTQLQIEISA-N -1 1 259.708 2.656 20 10 CFCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890760236 617835877 /nfs/dbraw/zinc/83/58/77/617835877.db2.gz LGIIZZSLUBYBMJ-ZCFIWIBFSA-N -1 1 281.661 2.860 20 10 CFCDMM O=C(CCC1CC1)NCc1cccc(Cl)c1[O-] ZINC000890760247 617840570 /nfs/dbraw/zinc/84/05/70/617840570.db2.gz LTTXRGLVAMHCHY-UHFFFAOYSA-N -1 1 253.729 2.852 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC2(CSC2)C1 ZINC000890762491 617842524 /nfs/dbraw/zinc/84/25/24/617842524.db2.gz FDFHMQUEAXZZHE-UHFFFAOYSA-N -1 1 297.807 2.805 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NOC1CCCC1 ZINC000894017493 618270614 /nfs/dbraw/zinc/27/06/14/618270614.db2.gz ILTCXODXHHPEQK-UHFFFAOYSA-N -1 1 284.743 2.719 20 10 CFCDMM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)c([O-])c1O ZINC000182231467 618891946 /nfs/dbraw/zinc/89/19/46/618891946.db2.gz NBWAJUQFXBTHLC-UHFFFAOYSA-N -1 1 282.299 2.555 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CC=CC1 ZINC000893661477 619149358 /nfs/dbraw/zinc/14/93/58/619149358.db2.gz LYASJPVPUZNYMD-UHFFFAOYSA-N -1 1 266.728 2.563 20 10 CFCDMM C[C@H](F)CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895050960 619535199 /nfs/dbraw/zinc/53/51/99/619535199.db2.gz MNTMICDXCRAVCX-QMMMGPOBSA-N -1 1 274.723 2.593 20 10 CFCDMM CC[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000832835485 625531336 /nfs/dbraw/zinc/53/13/36/625531336.db2.gz XEQSDFDVAHZOAM-MGCOHNPYSA-N -1 1 281.327 2.936 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])OC1CCC1 ZINC000908329115 622220545 /nfs/dbraw/zinc/22/05/45/622220545.db2.gz PHQSPNKDJRZYFG-UHFFFAOYSA-N -1 1 255.701 2.824 20 10 CFCDMM O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000822485220 623114190 /nfs/dbraw/zinc/11/41/90/623114190.db2.gz IKGMSHDMYMALEY-WDEREUQCSA-N -1 1 293.338 2.936 20 10 CFCDMM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000826113154 623794783 /nfs/dbraw/zinc/79/47/83/623794783.db2.gz PYSSXORJOGIDQB-GARJFASQSA-N -1 1 293.338 2.936 20 10 CFCDMM C[C@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])c2ncnn21 ZINC000826888634 623903455 /nfs/dbraw/zinc/90/34/55/623903455.db2.gz JINLOJIBMNMAHD-WRWORJQWSA-N -1 1 296.733 2.572 20 10 CFCDMM O=C(CCC1CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589393 624258202 /nfs/dbraw/zinc/25/82/02/624258202.db2.gz FJPFLOOIBAVOIS-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM CN(C)c1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000181062367 625057877 /nfs/dbraw/zinc/05/78/77/625057877.db2.gz UFLAXGIHNFKLIL-UHFFFAOYSA-N -1 1 288.322 2.527 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000839187394 626530189 /nfs/dbraw/zinc/53/01/89/626530189.db2.gz HDHCXNCVCPXZQD-RNCFNFMXSA-N -1 1 285.746 2.796 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ncccc1C(F)(F)F ZINC000765499738 627143509 /nfs/dbraw/zinc/14/35/09/627143509.db2.gz MNMYEPSLCRCRFO-DAXSKMNVSA-N -1 1 290.291 2.589 20 10 CFCDMM CC1(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765751570 627156341 /nfs/dbraw/zinc/15/63/41/627156341.db2.gz GMYWWBMEIXXIPE-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCCC1 ZINC000784013017 628762526 /nfs/dbraw/zinc/76/25/26/628762526.db2.gz INHUDGUFRFNOSB-SNVBAGLBSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@H]1CC/C(=C\C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784072159 628772504 /nfs/dbraw/zinc/77/25/04/628772504.db2.gz UYUVQKINDRLADN-VUBLIPMDSA-N -1 1 290.315 2.570 20 10 CFCDMM C[C@H]1CC[C@@H](CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784118099 628779135 /nfs/dbraw/zinc/77/91/35/628779135.db2.gz PUOVSAQRAJEDFK-WDEREUQCSA-N -1 1 292.331 2.650 20 10 CFCDMM Cc1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)cc1 ZINC000789939888 629198354 /nfs/dbraw/zinc/19/83/54/629198354.db2.gz QGHTYQARUZFAJI-UHFFFAOYSA-N -1 1 289.306 2.818 20 10 CFCDMM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1c([O-])c(O)ccc1F ZINC000789972206 629201133 /nfs/dbraw/zinc/20/11/33/629201133.db2.gz FAVVKLVBANOZES-CMPLNLGQSA-N -1 1 287.290 2.523 20 10 CFCDMM COc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1O ZINC000797820070 630107801 /nfs/dbraw/zinc/10/78/01/630107801.db2.gz DZRAZIROUGNLIQ-UHFFFAOYSA-N -1 1 293.344 2.510 20 10 CFCDMM CSc1ccc(C=C2SC(=S)[N-]C2=O)s1 ZINC000798232670 630169722 /nfs/dbraw/zinc/16/97/22/630169722.db2.gz ZODMRIZPHJBGBN-GQCTYLIASA-N -1 1 273.429 2.959 20 10 CFCDMM CC[C@@H](NCc1ncnn1CC)c1cccc(Cl)c1[O-] ZINC000806164166 630778175 /nfs/dbraw/zinc/77/81/75/630778175.db2.gz ZODNDKFWEAKKST-GFCCVEGCSA-N -1 1 294.786 2.898 20 10 CFCDMM CC[C@@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837854390 631143330 /nfs/dbraw/zinc/14/33/30/631143330.db2.gz ZFYPBVYBOJOZIX-ZYHUDNBSSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@H]1CCC[C@]1(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837928788 631152595 /nfs/dbraw/zinc/15/25/95/631152595.db2.gz JOAKGZMYPMKDBN-QFYYESIMSA-N -1 1 292.331 2.650 20 10 CFCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(F)c1[O-] ZINC000840997739 631298501 /nfs/dbraw/zinc/29/85/01/631298501.db2.gz IXUFURXMBXEXDL-GDLCADMTSA-N -1 1 293.338 2.749 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C(=O)[O-] ZINC000843040928 631810794 /nfs/dbraw/zinc/81/07/94/631810794.db2.gz MDSJYOJGSGNODW-ONGXEEELSA-N -1 1 283.755 2.588 20 10 CFCDMM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844839828 632321542 /nfs/dbraw/zinc/32/15/42/632321542.db2.gz XNPSGSLLLZJRLV-GFCCVEGCSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844839828 632321546 /nfs/dbraw/zinc/32/15/46/632321546.db2.gz XNPSGSLLLZJRLV-GFCCVEGCSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844839829 632321629 /nfs/dbraw/zinc/32/16/29/632321629.db2.gz XNPSGSLLLZJRLV-LBPRGKRZSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000844839829 632321633 /nfs/dbraw/zinc/32/16/33/632321633.db2.gz XNPSGSLLLZJRLV-LBPRGKRZSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[N@H+]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000816506453 632473630 /nfs/dbraw/zinc/47/36/30/632473630.db2.gz CYDXKPJVVSXJEW-SNVBAGLBSA-N -1 1 286.778 2.711 20 10 CFCDMM C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631063 632884942 /nfs/dbraw/zinc/88/49/42/632884942.db2.gz BHMYPODHXAJSBL-ZANVPECISA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631063 632884946 /nfs/dbraw/zinc/88/49/46/632884946.db2.gz BHMYPODHXAJSBL-ZANVPECISA-N -1 1 283.755 2.731 20 10 CFCDMM CSCC1(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000857309287 635963784 /nfs/dbraw/zinc/96/37/84/635963784.db2.gz ZCPDXAMHQIGWIZ-UHFFFAOYSA-N -1 1 299.367 2.500 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cccc(Cl)c1F ZINC000159864856 650282085 /nfs/dbraw/zinc/28/20/85/650282085.db2.gz ICUWWMUMOJCWQJ-QPJJXVBHSA-N -1 1 273.741 2.968 20 10 CFCDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000188247327 650320613 /nfs/dbraw/zinc/32/06/13/650320613.db2.gz XLHYUYNODYFQNW-UHFFFAOYSA-N -1 1 295.385 2.915 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Cl)c(F)c1 ZINC000194854401 650731417 /nfs/dbraw/zinc/73/14/17/650731417.db2.gz SNVYFRPTSZVSNH-XBXARRHUSA-N -1 1 273.741 2.968 20 10 CFCDMM [O-]c1c(CN2CCc3ccc(O)cc3C2)ccc(F)c1F ZINC000876616426 642945880 /nfs/dbraw/zinc/94/58/80/642945880.db2.gz MSGPMGVGTDPACG-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM C[C@@H](CN(C)C(=O)c1c([O-])c(O)ccc1F)C(C)(C)C ZINC000881461846 644980542 /nfs/dbraw/zinc/98/05/42/644980542.db2.gz IVUCAMXIZWAKDI-VIFPVBQESA-N -1 1 283.343 2.991 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1ccn(CC(F)F)n1 ZINC000883042817 645579126 /nfs/dbraw/zinc/57/91/26/645579126.db2.gz LHOWRRZPAUBIKU-UHFFFAOYSA-N -1 1 289.232 2.744 20 10 CFCDMM C[C@@H](N[C@@H](C)c1csnn1)c1c([O-])cccc1F ZINC000886626918 647076231 /nfs/dbraw/zinc/07/62/31/647076231.db2.gz ODLPSNQJBDGHQW-JGVFFNPUSA-N -1 1 267.329 2.795 20 10 CFCDMM CC(C)C[C@H]1C(=O)N[C@H](c2cc(Cl)ccc2[O-])N1C ZINC000887332631 647275479 /nfs/dbraw/zinc/27/54/79/647275479.db2.gz JNCDDKLVFHTIMR-AAEUAGOBSA-N -1 1 282.771 2.521 20 10 CFCDMM Cc1ccc(F)cc1C=C1SC(=S)[N-]C1=O ZINC000588393703 770500230 /nfs/dbraw/zinc/50/02/30/770500230.db2.gz XEFOEWCZIMJEBA-WEVVVXLNSA-N -1 1 253.323 2.623 20 10 CFCDMM CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1[O-] ZINC000124691552 776214920 /nfs/dbraw/zinc/21/49/20/776214920.db2.gz LBGSAOZTLLVPPT-AWEZNQCLSA-N -1 1 288.734 2.924 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@H]1C ZINC001231446407 777221999 /nfs/dbraw/zinc/22/19/99/777221999.db2.gz IPFOIKIKIJRSNP-RYUDHWBXSA-N -1 1 277.364 2.958 20 10 CFCDMM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@@H]1C ZINC001231446407 777222004 /nfs/dbraw/zinc/22/20/04/777222004.db2.gz IPFOIKIKIJRSNP-RYUDHWBXSA-N -1 1 277.364 2.958 20 10 CFCDMM [O-]c1c(CN2CC3(C2)C[C@@H](F)CS3)ccc(F)c1F ZINC001233078406 777788846 /nfs/dbraw/zinc/78/88/46/777788846.db2.gz VBCSKTXNDXFMDD-SECBINFHSA-N -1 1 289.322 2.700 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1C[C@@H](F)C[C@H]1CF ZINC001233332488 777890898 /nfs/dbraw/zinc/89/08/98/777890898.db2.gz MQLUIJINLRDOBU-YUMQZZPRSA-N -1 1 263.234 2.552 20 10 CFCDMM COC(=O)CN(Cc1c([O-])ccc(F)c1F)C1CCCC1 ZINC001233335470 777892115 /nfs/dbraw/zinc/89/21/15/777892115.db2.gz WOBKHOMAGHEGIZ-UHFFFAOYSA-N -1 1 299.317 2.588 20 10 CFCDMM [O-]c1c(CN2CCOCC23CC3)cccc1C(F)(F)F ZINC001233419125 777942804 /nfs/dbraw/zinc/94/28/04/777942804.db2.gz KJMZTCFTGVIFFC-UHFFFAOYSA-N -1 1 287.281 2.776 20 10 CFCDMM [O-]c1c(CN2CCn3cncc3C2)cccc1C(F)(F)F ZINC001233418568 777943192 /nfs/dbraw/zinc/94/31/92/777943192.db2.gz MDMCOEQYHJRPJS-UHFFFAOYSA-N -1 1 297.280 2.623 20 10 CFCDMM O=C1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418696 777944301 /nfs/dbraw/zinc/94/43/01/777944301.db2.gz RJXIVQSAWIOAID-UHFFFAOYSA-N -1 1 273.254 2.576 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccccn1 ZINC001234473381 778233721 /nfs/dbraw/zinc/23/37/21/778233721.db2.gz FRFPMDMOWACURU-SNVBAGLBSA-N -1 1 273.288 2.835 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccncc1F ZINC001234475365 778233926 /nfs/dbraw/zinc/23/39/26/778233926.db2.gz GJBHYZUFRHMWSZ-VIFPVBQESA-N -1 1 291.278 2.975 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccncc1F ZINC001234475364 778234221 /nfs/dbraw/zinc/23/42/21/778234221.db2.gz GJBHYZUFRHMWSZ-SECBINFHSA-N -1 1 291.278 2.975 20 10 CFCDMM Cc1cc2c(cn1)CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232262921 778914173 /nfs/dbraw/zinc/91/41/73/778914173.db2.gz WCWICNGYCSOFBL-UHFFFAOYSA-N -1 1 290.750 2.970 20 10 CFCDMM CCN(CC(=O)OC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237085775 779008973 /nfs/dbraw/zinc/00/89/73/779008973.db2.gz IBTXUZYDRPVEKJ-UHFFFAOYSA-N -1 1 292.162 2.694 20 10 CFCDMM CC1(C)CN(Cc2c([O-])ccc(F)c2Cl)CCO1 ZINC001237119189 779018128 /nfs/dbraw/zinc/01/81/28/779018128.db2.gz BQEIOTGVMCDVRQ-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001237933562 779210345 /nfs/dbraw/zinc/21/03/45/779210345.db2.gz CRPPRKDXPCTAIX-DXBFQKDVSA-N -1 1 273.710 2.975 20 10 CFCDMM Cc1cc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])on1 ZINC000187701265 382251992 /nfs/dbraw/zinc/25/19/92/382251992.db2.gz KNOIUDRUOUSRMF-QMMMGPOBSA-N -1 1 268.263 2.818 20 10 CFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCCC1 ZINC000294809964 382529620 /nfs/dbraw/zinc/52/96/20/382529620.db2.gz FUWDQXHFVVRADI-MRVPVSSYSA-N -1 1 267.300 2.545 20 10 CFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCCC1 ZINC000294809967 382529711 /nfs/dbraw/zinc/52/97/11/382529711.db2.gz FUWDQXHFVVRADI-QMMMGPOBSA-N -1 1 267.300 2.545 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287138719 385787439 /nfs/dbraw/zinc/78/74/39/385787439.db2.gz ANAVEWDYJMVGCE-SFYZADRCSA-N -1 1 291.269 2.780 20 10 CFCDMM CCC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277565860 521668423 /nfs/dbraw/zinc/66/84/23/521668423.db2.gz PZWXZMAUBVXZMV-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM O=C(C=C1CCC1)NCc1cccc(Br)c1[O-] ZINC000277658270 526316117 /nfs/dbraw/zinc/31/61/17/526316117.db2.gz ZQUQBCKHZJAQJW-UHFFFAOYSA-N -1 1 296.164 2.881 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1C[C@H](O)Cc2ccccc21 ZINC000279349873 526327078 /nfs/dbraw/zinc/32/70/78/526327078.db2.gz GEXHOMBATVKFEN-CYBMUJFWSA-N -1 1 289.762 2.969 20 10 CFCDMM CCc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)s1 ZINC000731158912 574111864 /nfs/dbraw/zinc/11/18/64/574111864.db2.gz LLUNCOPCMVTBJA-UVTDQMKNSA-N -1 1 298.367 2.772 20 10 CFCDMM Cc1nc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756433781 574236473 /nfs/dbraw/zinc/23/64/73/574236473.db2.gz HLKWHEJUQVLLSQ-MRVPVSSYSA-N -1 1 293.348 2.916 20 10 CFCDMM O=C([O-])[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086790250 598128945 /nfs/dbraw/zinc/12/89/45/598128945.db2.gz JKFQGHZZNGIABE-ZETCQYMHSA-N -1 1 290.146 2.606 20 10 CFCDMM COc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1C ZINC000738008111 600524565 /nfs/dbraw/zinc/52/45/65/600524565.db2.gz CWKNEPBSBAIOBT-UHFFFAOYSA-N -1 1 275.304 2.585 20 10 CFCDMM O=C(CCCn1cccc1)NCc1cccc(Cl)c1[O-] ZINC000890759645 617836677 /nfs/dbraw/zinc/83/66/77/617836677.db2.gz GBWPAYMJBJDWBP-UHFFFAOYSA-N -1 1 292.766 2.944 20 10 CFCDMM COC1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759479 617836747 /nfs/dbraw/zinc/83/67/47/617836747.db2.gz LDZXXYDEMKZZRV-UHFFFAOYSA-N -1 1 297.782 2.867 20 10 CFCDMM CO[C@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759872 617836941 /nfs/dbraw/zinc/83/69/41/617836941.db2.gz TWVAVKFDGKSXDF-JQWIXIFHSA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890760122 617837565 /nfs/dbraw/zinc/83/75/65/617837565.db2.gz IREFSSCYNGSSGB-MRVPVSSYSA-N -1 1 253.729 2.708 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC1(Cl)Cl ZINC000890757907 617835624 /nfs/dbraw/zinc/83/56/24/617835624.db2.gz MZDIPSLQEGLHAO-SSDOTTSWSA-N -1 1 294.565 2.856 20 10 CFCDMM C[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892060356 617933131 /nfs/dbraw/zinc/93/31/31/617933131.db2.gz JDAJIFNBLULCDH-SCZZXKLOSA-N -1 1 268.744 2.501 20 10 CFCDMM CCCCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000924428926 618061327 /nfs/dbraw/zinc/06/13/27/618061327.db2.gz TZFXIGJAYONLGS-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM Cc1csc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000069168300 618169819 /nfs/dbraw/zinc/16/98/19/618169819.db2.gz KHSZZDBDEMGRBV-VIFPVBQESA-N -1 1 293.348 2.916 20 10 CFCDMM C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(F)c1O ZINC000775984937 618401318 /nfs/dbraw/zinc/40/13/18/618401318.db2.gz ILORRTKTMIUPLR-VHSXEESVSA-N -1 1 286.778 2.709 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])OCC(F)(F)F ZINC000903045555 621240505 /nfs/dbraw/zinc/24/05/05/621240505.db2.gz POHLUHBWPRVAON-UHFFFAOYSA-N -1 1 283.633 2.834 20 10 CFCDMM CC(C)c1noc(NCc2cc(F)cc(F)c2[O-])n1 ZINC000905411293 621761805 /nfs/dbraw/zinc/76/18/05/621761805.db2.gz GTYBRULNRNZSLL-UHFFFAOYSA-N -1 1 269.251 2.789 20 10 CFCDMM CC(C)n1ccnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000832837586 625532329 /nfs/dbraw/zinc/53/23/29/625532329.db2.gz DATRDHMKLRZOJQ-UHFFFAOYSA-N -1 1 292.360 2.850 20 10 CFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(C)o1 ZINC000184617215 625626039 /nfs/dbraw/zinc/62/60/39/625626039.db2.gz VDKMZTMUTPBNCS-UHFFFAOYSA-N -1 1 285.296 2.542 20 10 CFCDMM CCc1nc(CNCc2cccc(Cl)c2[O-])co1 ZINC000825055913 623617801 /nfs/dbraw/zinc/61/78/01/623617801.db2.gz CHDODCNZWXQKPI-UHFFFAOYSA-N -1 1 266.728 2.886 20 10 CFCDMM C[C@H]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825529265 623709695 /nfs/dbraw/zinc/70/96/95/623709695.db2.gz FIBCLSAANKCPGX-UWVGGRQHSA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(C)(C)C ZINC000825862560 623763044 /nfs/dbraw/zinc/76/30/44/623763044.db2.gz BPMYNDUYTXBAEF-MRVPVSSYSA-N -1 1 269.316 2.649 20 10 CFCDMM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000826113156 623794492 /nfs/dbraw/zinc/79/44/92/623794492.db2.gz PYSSXORJOGIDQB-HBNTYKKESA-N -1 1 293.338 2.936 20 10 CFCDMM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1c(F)ccc(O)c1[O-] ZINC000826113157 623794661 /nfs/dbraw/zinc/79/46/61/623794661.db2.gz PYSSXORJOGIDQB-OUAUKWLOSA-N -1 1 293.338 2.936 20 10 CFCDMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cscn1 ZINC000768102106 627314337 /nfs/dbraw/zinc/31/43/37/627314337.db2.gz OCHSKKWNIMXLPR-MRVPVSSYSA-N -1 1 279.321 2.608 20 10 CFCDMM O=C1N[C@@H](c2cccc(F)c2[O-])Nc2cc(F)ccc21 ZINC000778520139 628312471 /nfs/dbraw/zinc/31/24/71/628312471.db2.gz OUDRTMZJJWALCQ-ZDUSSCGKSA-N -1 1 276.242 2.525 20 10 CFCDMM CC(C)C[C@@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783422661 628706605 /nfs/dbraw/zinc/70/66/05/628706605.db2.gz LNMBMPROBNKTQI-LLVKDONJSA-N -1 1 294.347 2.896 20 10 CFCDMM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616039 628831244 /nfs/dbraw/zinc/83/12/44/628831244.db2.gz YHNRPAQMRJUFRB-VHSXEESVSA-N -1 1 280.320 2.506 20 10 CFCDMM CC1(C)CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784630333 628832586 /nfs/dbraw/zinc/83/25/86/628832586.db2.gz HVPPJUXXFZZPPW-NSHDSACASA-N -1 1 292.331 2.650 20 10 CFCDMM CC1(C)CCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784786739 628842477 /nfs/dbraw/zinc/84/24/77/628842477.db2.gz FJHXMVKYETZACV-LLVKDONJSA-N -1 1 292.331 2.650 20 10 CFCDMM O=C(C[C@@H]1C=CCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784831630 628844351 /nfs/dbraw/zinc/84/43/51/628844351.db2.gz DIKKUDBXYAXHTE-LLVKDONJSA-N -1 1 290.315 2.570 20 10 CFCDMM COc1nn(C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000789587457 629169473 /nfs/dbraw/zinc/16/94/73/629169473.db2.gz YSOGECQOQSSNIF-UHFFFAOYSA-N -1 1 285.706 2.539 20 10 CFCDMM C[C@H]1CCCC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789943022 629199174 /nfs/dbraw/zinc/19/91/74/629199174.db2.gz YFLSPICVOMOGLV-WPRPVWTQSA-N -1 1 267.300 2.545 20 10 CFCDMM C[C@@H]1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837928791 631152555 /nfs/dbraw/zinc/15/25/55/631152555.db2.gz JOAKGZMYPMKDBN-QLJPJBMISA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000843040925 631810893 /nfs/dbraw/zinc/81/08/93/631810893.db2.gz MDSJYOJGSGNODW-GXSJLCMTSA-N -1 1 283.755 2.588 20 10 CFCDMM CCC[N@H+](CC(=O)OC)Cc1ccc2ccccc2c1O ZINC000816478110 632467514 /nfs/dbraw/zinc/46/75/14/632467514.db2.gz USLAUEJFKQIUMJ-UHFFFAOYSA-N -1 1 287.359 2.930 20 10 CFCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000816646989 632502649 /nfs/dbraw/zinc/50/26/49/632502649.db2.gz LZLNUDMNPGCOBT-HTQZYQBOSA-N -1 1 270.716 2.794 20 10 CFCDMM C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc(Br)c1O ZINC000816649324 632503760 /nfs/dbraw/zinc/50/37/60/632503760.db2.gz XLFWGMQWTBPXKJ-DTWKUNHWSA-N -1 1 270.170 2.995 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1CO ZINC000857060502 635921200 /nfs/dbraw/zinc/92/12/00/635921200.db2.gz AMMZXLYXGIMRNT-NXEZZACHSA-N -1 1 287.762 2.635 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(F)c(F)cc1F ZINC000200562672 636419030 /nfs/dbraw/zinc/41/90/30/636419030.db2.gz OZTBRHZLLFROOB-WAPJZHGLSA-N -1 1 275.276 2.593 20 10 CFCDMM CC(C)(C)[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000869647554 639337721 /nfs/dbraw/zinc/33/77/21/639337721.db2.gz DXYQPYWAXWLJLG-GHMZBOCLSA-N -1 1 292.331 2.506 20 10 CFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000192155820 650543159 /nfs/dbraw/zinc/54/31/59/650543159.db2.gz QKVCBVNQBDAKEF-UHFFFAOYSA-N -1 1 295.385 2.915 20 10 CFCDMM CC1(C)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000124550024 642220740 /nfs/dbraw/zinc/22/07/40/642220740.db2.gz GOXJOHQQOPCVPI-UHFFFAOYSA-N -1 1 255.745 2.656 20 10 CFCDMM Cn1cc(NCc2cc(F)cc(F)c2[O-])c(C2CC2)n1 ZINC000883126756 645615354 /nfs/dbraw/zinc/61/53/54/645615354.db2.gz YZPZPUPWDDTOTL-UHFFFAOYSA-N -1 1 279.290 2.893 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cnn2c1CCCC2 ZINC000883195541 645656555 /nfs/dbraw/zinc/65/65/55/645656555.db2.gz WRNYLBQCOZCGJE-UHFFFAOYSA-N -1 1 279.290 2.815 20 10 CFCDMM CC[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000886803345 647145426 /nfs/dbraw/zinc/14/54/26/647145426.db2.gz HWPDYGGFCYMSQL-JQWIXIFHSA-N -1 1 295.276 2.885 20 10 CFCDMM C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448545 777221791 /nfs/dbraw/zinc/22/17/91/777221791.db2.gz HQWKNFQITJMMRH-QWRGUYRKSA-N -1 1 263.337 2.853 20 10 CFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CC1(C)C ZINC001231455729 777222560 /nfs/dbraw/zinc/22/25/60/777222560.db2.gz UUAZGDZYZJVSEO-GFCCVEGCSA-N -1 1 263.337 2.568 20 10 CFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CC1(C)C ZINC001231455729 777222567 /nfs/dbraw/zinc/22/25/67/777222567.db2.gz UUAZGDZYZJVSEO-GFCCVEGCSA-N -1 1 263.337 2.568 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1C ZINC001231452679 777223351 /nfs/dbraw/zinc/22/33/51/777223351.db2.gz RJFYPWQGLMCTMY-MNOVXSKESA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1C ZINC001231452679 777223361 /nfs/dbraw/zinc/22/33/61/777223361.db2.gz RJFYPWQGLMCTMY-MNOVXSKESA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1C ZINC001231452680 777223894 /nfs/dbraw/zinc/22/38/94/777223894.db2.gz RJFYPWQGLMCTMY-QWRGUYRKSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@H]1C ZINC001231452680 777223902 /nfs/dbraw/zinc/22/39/02/777223902.db2.gz RJFYPWQGLMCTMY-QWRGUYRKSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1cc(O)c(CN2Cc3ncsc3C2)cc1Cl ZINC001232263052 777497892 /nfs/dbraw/zinc/49/78/92/777497892.db2.gz DKRPJDWQVSJWRD-UHFFFAOYSA-N -1 1 282.752 2.724 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COCC ZINC001233496761 777968588 /nfs/dbraw/zinc/96/85/88/777968588.db2.gz IBOYCXNNVQKZDM-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)COC(C)(C)C ZINC001234474718 778233939 /nfs/dbraw/zinc/23/39/39/778233939.db2.gz WJIKTAXIKLXBEB-SECBINFHSA-N -1 1 282.336 2.883 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CCC(=O)CC2)c1 ZINC001236664051 778906660 /nfs/dbraw/zinc/90/66/60/778906660.db2.gz RTPIUYSZNGMLFQ-UHFFFAOYSA-N -1 1 298.180 2.628 20 10 CFCDMM CO[C@@H](C)C1C[NH+](Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237128989 779014108 /nfs/dbraw/zinc/01/41/08/779014108.db2.gz SQBXYIIHVDISQF-QMMMGPOBSA-N -1 1 273.735 2.651 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)C[C@H](C)O1 ZINC001237122712 779019652 /nfs/dbraw/zinc/01/96/52/779019652.db2.gz XENVMLNVJJOOBO-DTORHVGOSA-N -1 1 273.735 2.794 20 10 CFCDMM CC1(C)CN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237126730 779021691 /nfs/dbraw/zinc/02/16/91/779021691.db2.gz QDDIIAGHPAOPLZ-UHFFFAOYSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOCC12CCC2 ZINC001237126988 779021979 /nfs/dbraw/zinc/02/19/79/779021979.db2.gz RORGBLCSHNUXNT-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCCC12COC2 ZINC001237126113 779022007 /nfs/dbraw/zinc/02/20/07/779022007.db2.gz JGUDRTQHAUERFG-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM CC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619705 779145535 /nfs/dbraw/zinc/14/55/35/779145535.db2.gz BWIJMVIPBKBVHA-UHFFFAOYSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2OCC[C@H]21 ZINC001237618000 779145878 /nfs/dbraw/zinc/14/58/78/779145878.db2.gz WOXFTTQHVHRVQJ-VXGBXAGGSA-N -1 1 271.719 2.548 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1F ZINC001237934229 779210267 /nfs/dbraw/zinc/21/02/67/779210267.db2.gz JHKDTOYGFFXPMR-HQJQHLMTSA-N -1 1 261.699 2.975 20 10 CFCDMM Oc1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237935276 779211528 /nfs/dbraw/zinc/21/15/28/779211528.db2.gz UODYIUHZGBCZFU-AWEZNQCLSA-N -1 1 285.746 2.940 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC[C@H]2C)c1[O-] ZINC000037323493 372664430 /nfs/dbraw/zinc/66/44/30/372664430.db2.gz VFBAMTPUIHBTBJ-NXEZZACHSA-N -1 1 297.782 2.857 20 10 CFCDMM CCOC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccccc1O ZINC000371465879 381635037 /nfs/dbraw/zinc/63/50/37/381635037.db2.gz IWTMRIKMGQOBCR-AWEZNQCLSA-N -1 1 277.364 2.700 20 10 CFCDMM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293914088 382334777 /nfs/dbraw/zinc/33/47/77/382334777.db2.gz GEIVPDDDIHQZOM-JTQLQIEISA-N -1 1 273.735 2.532 20 10 CFCDMM CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nncn1C ZINC000287006646 385760772 /nfs/dbraw/zinc/76/07/72/385760772.db2.gz RGGORIHIEGMHPI-CYBMUJFWSA-N -1 1 288.395 2.884 20 10 CFCDMM Cc1cc(O)c(C[N@@H+](CC(=O)[O-])C2CC2)cc1C(C)C ZINC000738239859 574161545 /nfs/dbraw/zinc/16/15/45/574161545.db2.gz MZLREODNEHFPOH-UHFFFAOYSA-N -1 1 277.364 2.873 20 10 CFCDMM Cc1cnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606124 574251682 /nfs/dbraw/zinc/25/16/82/574251682.db2.gz BXMHXDCVSSAGQV-SECBINFHSA-N -1 1 293.348 2.916 20 10 CFCDMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086756582 598131726 /nfs/dbraw/zinc/13/17/26/598131726.db2.gz UCTMQQSOKHSSMI-ZCFIWIBFSA-N -1 1 278.135 2.604 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCCS1 ZINC000890759546 617836632 /nfs/dbraw/zinc/83/66/32/617836632.db2.gz NSTLSHKBOPZZNH-LLVKDONJSA-N -1 1 285.796 2.948 20 10 CFCDMM CC(F)(F)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759114 617837229 /nfs/dbraw/zinc/83/72/29/617837229.db2.gz CQULUMZIKGSMBF-UHFFFAOYSA-N -1 1 263.671 2.707 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCS1 ZINC000890760528 617838488 /nfs/dbraw/zinc/83/84/88/617838488.db2.gz SFDOYHDUBCFOLB-JTQLQIEISA-N -1 1 271.769 2.557 20 10 CFCDMM CO[C@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759873 617839241 /nfs/dbraw/zinc/83/92/41/617839241.db2.gz TWVAVKFDGKSXDF-PWSUYJOCSA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCCO1 ZINC000890761419 617840044 /nfs/dbraw/zinc/84/00/44/617840044.db2.gz REGDMWLILWQDDG-CQSZACIVSA-N -1 1 283.755 2.621 20 10 CFCDMM CC[C@@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895154936 618400943 /nfs/dbraw/zinc/40/09/43/618400943.db2.gz YOVCBVSWEVABNS-KOLCDFICSA-N -1 1 282.771 2.891 20 10 CFCDMM [O-]c1c(Cl)cccc1CNCc1cscn1 ZINC000162834011 619065691 /nfs/dbraw/zinc/06/56/91/619065691.db2.gz IKSWOWAQCKUABS-UHFFFAOYSA-N -1 1 254.742 2.792 20 10 CFCDMM Cc1cc(O)c(C[NH2+][C@@H]2CCn3ccnc32)c(Cl)c1 ZINC000840949120 619117982 /nfs/dbraw/zinc/11/79/82/619117982.db2.gz NXXGFQNXEPMCHZ-GFCCVEGCSA-N -1 1 277.755 2.785 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CC(F)(F)C1 ZINC000894442857 619383928 /nfs/dbraw/zinc/38/39/28/619383928.db2.gz HWEZTOZTWRULEQ-UHFFFAOYSA-N -1 1 290.697 2.643 20 10 CFCDMM Cn1cc(C[NH2+]Cc2c(O)cccc2F)c(C(C)(C)C)n1 ZINC000896638896 619780942 /nfs/dbraw/zinc/78/09/42/619780942.db2.gz YRCSCZKUBKEIFA-UHFFFAOYSA-N -1 1 291.370 2.852 20 10 CFCDMM Cn1nc(CNCc2ccc(F)c(F)c2[O-])cc1C1CC1 ZINC000897230562 619954676 /nfs/dbraw/zinc/95/46/76/619954676.db2.gz OCKBLRPYCVVBMY-UHFFFAOYSA-N -1 1 293.317 2.571 20 10 CFCDMM CC(C)(C)CCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825998010 623779948 /nfs/dbraw/zinc/77/99/48/623779948.db2.gz WBQNARHFBQVGTB-UHFFFAOYSA-N -1 1 269.316 2.793 20 10 CFCDMM CCc1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000834478507 625692057 /nfs/dbraw/zinc/69/20/57/625692057.db2.gz HRWKDWDMASKBML-UHFFFAOYSA-N -1 1 298.140 2.712 20 10 CFCDMM CC1(C)CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000827678385 624062083 /nfs/dbraw/zinc/06/20/83/624062083.db2.gz CYNXSBZSBHBXFG-QMMMGPOBSA-N -1 1 267.300 2.545 20 10 CFCDMM Cc1ncc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000839170606 626529354 /nfs/dbraw/zinc/52/93/54/626529354.db2.gz PHXNRGJKDKRZRK-UHFFFAOYSA-N -1 1 297.698 2.540 20 10 CFCDMM Cc1cscc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783999492 628761078 /nfs/dbraw/zinc/76/10/78/628761078.db2.gz RVWDWQKUCDACHN-UHFFFAOYSA-N -1 1 292.312 2.507 20 10 CFCDMM CC(C)C[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784737621 628839609 /nfs/dbraw/zinc/83/96/09/628839609.db2.gz ZQJDQCFYNGJLTP-SNVBAGLBSA-N -1 1 280.320 2.506 20 10 CFCDMM C[C@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789943020 629199104 /nfs/dbraw/zinc/19/91/04/629199104.db2.gz YFLSPICVOMOGLV-WCBMZHEXSA-N -1 1 267.300 2.545 20 10 CFCDMM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1c([O-])c(O)ccc1F ZINC000789972209 629200787 /nfs/dbraw/zinc/20/07/87/629200787.db2.gz FAVVKLVBANOZES-ZYHUDNBSSA-N -1 1 287.290 2.523 20 10 CFCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])CC(F)(F)F ZINC000839850455 630165162 /nfs/dbraw/zinc/16/51/62/630165162.db2.gz SJUSTRYYGFIUBF-LURJTMIESA-N -1 1 295.232 2.555 20 10 CFCDMM CC(C)C[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000818630660 632884726 /nfs/dbraw/zinc/88/47/26/632884726.db2.gz XMSFFBIWGJYLFR-LLVKDONJSA-N -1 1 285.771 2.882 20 10 CFCDMM O=C1N[C@H](c2cccc(F)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859967 643609140 /nfs/dbraw/zinc/60/91/40/643609140.db2.gz WKDOZRCZLYPADE-CYBMUJFWSA-N -1 1 294.232 2.664 20 10 CFCDMM Cc1cc(F)ccc1C=C1SC(=S)[N-]C1=O ZINC000131058826 645618158 /nfs/dbraw/zinc/61/81/58/645618158.db2.gz OURBUIKBLQBIOW-UITAMQMPSA-N -1 1 253.323 2.623 20 10 CFCDMM COCc1nc(CN[C@H](C)c2c([O-])cccc2F)cs1 ZINC000886612098 647067016 /nfs/dbraw/zinc/06/70/16/647067016.db2.gz BRNJNLWGPYREJR-SECBINFHSA-N -1 1 296.367 2.985 20 10 CFCDMM CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000886803346 647145347 /nfs/dbraw/zinc/14/53/47/647145347.db2.gz HWPDYGGFCYMSQL-PWSUYJOCSA-N -1 1 295.276 2.885 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231446408 777222077 /nfs/dbraw/zinc/22/20/77/777222077.db2.gz IPFOIKIKIJRSNP-VXGBXAGGSA-N -1 1 277.364 2.958 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@H]1C ZINC001231446408 777222084 /nfs/dbraw/zinc/22/20/84/777222084.db2.gz IPFOIKIKIJRSNP-VXGBXAGGSA-N -1 1 277.364 2.958 20 10 CFCDMM CCCC[N@H+](CC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447851 777222222 /nfs/dbraw/zinc/22/22/22/777222222.db2.gz XCOCGTGUSMWSHJ-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM CCCC[N@@H+](CC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447851 777222226 /nfs/dbraw/zinc/22/22/26/777222226.db2.gz XCOCGTGUSMWSHJ-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC001231452258 777222908 /nfs/dbraw/zinc/22/29/08/777222908.db2.gz IZFWJAGUNOAEEL-UHFFFAOYSA-N -1 1 275.348 2.857 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CCC3(CCCC3)C2)c([O-])c1 ZINC001231452258 777222918 /nfs/dbraw/zinc/22/29/18/777222918.db2.gz IZFWJAGUNOAEEL-UHFFFAOYSA-N -1 1 275.348 2.857 20 10 CFCDMM C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450445 777223980 /nfs/dbraw/zinc/22/39/80/777223980.db2.gz FFFXGAOWYCQFID-NSHDSACASA-N -1 1 263.337 2.855 20 10 CFCDMM C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450445 777223987 /nfs/dbraw/zinc/22/39/87/777223987.db2.gz FFFXGAOWYCQFID-NSHDSACASA-N -1 1 263.337 2.855 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCc2ccncc2C1 ZINC001231912736 777381029 /nfs/dbraw/zinc/38/10/29/777381029.db2.gz VABAXFQAMNZMFZ-UHFFFAOYSA-N -1 1 274.751 2.999 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001233332703 777891209 /nfs/dbraw/zinc/89/12/09/777891209.db2.gz VAHHCMHBUSOCRP-SNVBAGLBSA-N -1 1 281.224 2.850 20 10 CFCDMM C[C@@]1(F)CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1F ZINC001233332574 777892859 /nfs/dbraw/zinc/89/28/59/777892859.db2.gz PLOZCJLOJUISGK-DGCLKSJQSA-N -1 1 277.261 2.942 20 10 CFCDMM CC(=O)[C@@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233336024 777895992 /nfs/dbraw/zinc/89/59/92/777895992.db2.gz VQFOONRTCZUHOH-LBPRGKRZSA-N -1 1 269.291 2.614 20 10 CFCDMM CC(C)[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCO1 ZINC001233335850 777897735 /nfs/dbraw/zinc/89/77/35/777897735.db2.gz OAQOFXPCHOSUQE-CYBMUJFWSA-N -1 1 271.307 2.527 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H](CC)OC ZINC001233496547 777968671 /nfs/dbraw/zinc/96/86/71/777968671.db2.gz WCWFIUZHCNYWGH-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)COC(C)(C)C ZINC001234474719 778233342 /nfs/dbraw/zinc/23/33/42/778233342.db2.gz WJIKTAXIKLXBEB-VIFPVBQESA-N -1 1 282.336 2.883 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC(F)(F)C1(F)F ZINC001234475012 778234007 /nfs/dbraw/zinc/23/40/07/778234007.db2.gz BUAFOBBPALNPTI-JTQLQIEISA-N -1 1 294.200 2.722 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC(F)(F)C1 ZINC001234475075 778234065 /nfs/dbraw/zinc/23/40/65/778234065.db2.gz CVNLCGGVXITOGO-MRVPVSSYSA-N -1 1 272.247 2.867 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC(=O)CC1(C)C ZINC001234475375 778234140 /nfs/dbraw/zinc/23/41/40/778234140.db2.gz GOSTYRPOFFVVAK-OAHLLOKOSA-N -1 1 292.331 2.827 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC(=O)CC1(C)C ZINC001234475374 778234158 /nfs/dbraw/zinc/23/41/58/778234158.db2.gz GOSTYRPOFFVVAK-HNNXBMFYSA-N -1 1 292.331 2.827 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1OC(C1CC1)C1CC1 ZINC001234473395 778234231 /nfs/dbraw/zinc/23/42/31/778234231.db2.gz GDQVPYKMUGBNKO-UHFFFAOYSA-N -1 1 262.305 2.868 20 10 CFCDMM CCN(CC(=O)OC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803056 778945045 /nfs/dbraw/zinc/94/50/45/778945045.db2.gz MEKXHWCJAOXALW-UHFFFAOYSA-N -1 1 292.162 2.694 20 10 CFCDMM COc1ccc(CN2C[C@@H](F)C[C@H]2C)c([O-])c1Cl ZINC001236800530 778943126 /nfs/dbraw/zinc/94/31/26/778943126.db2.gz AASXHZSDQACXIF-SCZZXKLOSA-N -1 1 273.735 2.987 20 10 CFCDMM C[C@H]1CC(=O)CCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416051 779040362 /nfs/dbraw/zinc/04/03/62/779040362.db2.gz UMLZWYHZWBFNCT-VIFPVBQESA-N -1 1 287.281 2.964 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237935205 779212197 /nfs/dbraw/zinc/21/21/97/779212197.db2.gz RIRJVMCETLVJGG-MRVPVSSYSA-N -1 1 271.719 2.596 20 10 CFCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(Cl)c1 ZINC000034936937 372518524 /nfs/dbraw/zinc/51/85/24/372518524.db2.gz XOYMRVNKIVCTGO-UHFFFAOYSA-N -1 1 283.736 2.846 20 10 CFCDMM CC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295853098 381116128 /nfs/dbraw/zinc/11/61/28/381116128.db2.gz NXBKJSYJOVMWFY-SNVBAGLBSA-N -1 1 281.327 2.889 20 10 CFCDMM Oc1ccccc1C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000365659170 382430637 /nfs/dbraw/zinc/43/06/37/382430637.db2.gz ARNMVHAHBQESPA-UHFFFAOYSA-N -1 1 289.762 2.749 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000228174791 382845324 /nfs/dbraw/zinc/84/53/24/382845324.db2.gz RVBGKHPLQYXVPZ-CHWSQXEVSA-N -1 1 267.756 2.799 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](O)C1 ZINC000271008253 385300259 /nfs/dbraw/zinc/30/02/59/385300259.db2.gz OLHAOZOZCUCCNB-JTQLQIEISA-N -1 1 276.163 2.656 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCCc2n[nH]cc21 ZINC000280976502 526327446 /nfs/dbraw/zinc/32/74/46/526327446.db2.gz KXRUPOVNGOWFQE-UHFFFAOYSA-N -1 1 263.728 2.722 20 10 CFCDMM O=C([O-])N1CC[C@@H](CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000740498438 574251430 /nfs/dbraw/zinc/25/14/30/574251430.db2.gz BXDQFJUXZYMXOW-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM CCc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])on1 ZINC000756607991 574251893 /nfs/dbraw/zinc/25/18/93/574251893.db2.gz OMSPEWCPLNZUHQ-VIFPVBQESA-N -1 1 291.307 2.702 20 10 CFCDMM O=C([O-])NC1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000740560104 574255636 /nfs/dbraw/zinc/25/56/36/574255636.db2.gz UPUMTKBMPCDGEC-UHFFFAOYSA-N -1 1 298.770 2.714 20 10 CFCDMM C[C@H](NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769428 574261374 /nfs/dbraw/zinc/26/13/74/574261374.db2.gz QPFWUVLPBDICDK-VIFPVBQESA-N -1 1 291.282 2.685 20 10 CFCDMM CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000086777721 600142402 /nfs/dbraw/zinc/14/24/02/600142402.db2.gz JZMHQMMINNEHGL-UHFFFAOYSA-N -1 1 271.744 2.588 20 10 CFCDMM CC(C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000086777721 600142399 /nfs/dbraw/zinc/14/23/99/600142399.db2.gz JZMHQMMINNEHGL-UHFFFAOYSA-N -1 1 271.744 2.588 20 10 CFCDMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(N(C)C)cc1 ZINC000827741321 604330354 /nfs/dbraw/zinc/33/03/54/604330354.db2.gz LNHSZFPDKLBCRB-NSHDSACASA-N -1 1 288.347 2.895 20 10 CFCDMM CC[C@@H](SC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760594 617837914 /nfs/dbraw/zinc/83/79/14/617837914.db2.gz UQCOSHFANYVJKM-SNVBAGLBSA-N -1 1 273.785 2.803 20 10 CFCDMM O=C(/C=C/C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890760597 617838316 /nfs/dbraw/zinc/83/83/16/617838316.db2.gz UVLJDAMCDVBGQG-VOTSOKGWSA-N -1 1 251.713 2.628 20 10 CFCDMM O=C(C[C@@H]1CCCCO1)NCc1cccc(Cl)c1[O-] ZINC000890760659 617838907 /nfs/dbraw/zinc/83/89/07/617838907.db2.gz VFFVSZAKALYNJU-NSHDSACASA-N -1 1 283.755 2.621 20 10 CFCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890760867 617839005 /nfs/dbraw/zinc/83/90/05/617839005.db2.gz CBOYZEVGDRUIGT-CQSZACIVSA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])[C@H]1CCCO1 ZINC000890761745 617841121 /nfs/dbraw/zinc/84/11/21/617841121.db2.gz WJFURBUTNXAQPX-GXFFZTMASA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763404 617844025 /nfs/dbraw/zinc/84/40/25/617844025.db2.gz VNWWBCUKCCLIEK-QISWUMQESA-N -1 1 297.782 2.721 20 10 CFCDMM C[C@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892060357 617932847 /nfs/dbraw/zinc/93/28/47/617932847.db2.gz JDAJIFNBLULCDH-WCBMZHEXSA-N -1 1 268.744 2.501 20 10 CFCDMM CN(C)c1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000163643027 618679547 /nfs/dbraw/zinc/67/95/47/618679547.db2.gz IZXZBILKHZRNFM-UHFFFAOYSA-N -1 1 288.322 2.527 20 10 CFCDMM CSC[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893099060 618831700 /nfs/dbraw/zinc/83/17/00/618831700.db2.gz HGECXFITBGMDAN-QMMMGPOBSA-N -1 1 288.800 2.596 20 10 CFCDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1F ZINC000313220409 618977462 /nfs/dbraw/zinc/97/74/62/618977462.db2.gz LUYQLCNDLFPWPL-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM CS[C@@H](C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893799767 619220828 /nfs/dbraw/zinc/22/08/28/619220828.db2.gz MOGBPEHVDMSWIO-QMMMGPOBSA-N -1 1 288.800 2.596 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1C=CCC1 ZINC000895721378 619590954 /nfs/dbraw/zinc/59/09/54/619590954.db2.gz WXNRAGGYDYLVHT-JTQLQIEISA-N -1 1 266.728 2.563 20 10 CFCDMM CC(C)c1nnc(CNCc2c([O-])cccc2F)s1 ZINC000896644583 619778446 /nfs/dbraw/zinc/77/84/46/619778446.db2.gz XVSYKPIGEGVLJE-UHFFFAOYSA-N -1 1 281.356 2.796 20 10 CFCDMM CC[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826028393 623784958 /nfs/dbraw/zinc/78/49/58/623784958.db2.gz ZDJNGVDZQOLJQB-NXEZZACHSA-N -1 1 281.327 2.936 20 10 CFCDMM Cc1ccsc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590274 624258288 /nfs/dbraw/zinc/25/82/88/624258288.db2.gz WQYGQKKATWVRQU-UHFFFAOYSA-N -1 1 292.312 2.507 20 10 CFCDMM CC(C)[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000829713565 624513070 /nfs/dbraw/zinc/51/30/70/624513070.db2.gz LKGXNKQWPXXRPG-JTQLQIEISA-N -1 1 281.327 2.745 20 10 CFCDMM CC(C)C(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000829811769 624551154 /nfs/dbraw/zinc/55/11/54/624551154.db2.gz DLYDRWQYGMUESH-UHFFFAOYSA-N -1 1 269.316 2.649 20 10 CFCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])C(F)(F)F ZINC000831352866 624996671 /nfs/dbraw/zinc/99/66/71/624996671.db2.gz DWURHXPCJKMPTF-UHFFFAOYSA-N -1 1 295.232 2.555 20 10 CFCDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000181626164 625194470 /nfs/dbraw/zinc/19/44/70/625194470.db2.gz LLPQFCHEUBECBL-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM Cc1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000764932909 627107813 /nfs/dbraw/zinc/10/78/13/627107813.db2.gz ALECFTNBOUNSIQ-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM CCOc1ccc(C=C2SC(=S)[N-]C2=O)cc1F ZINC000779220498 628361254 /nfs/dbraw/zinc/36/12/54/628361254.db2.gz CZZCWPNVKYRDID-UXBLZVDNSA-N -1 1 283.349 2.713 20 10 CFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000783684590 628734732 /nfs/dbraw/zinc/73/47/32/628734732.db2.gz XEHKWVACWDQCOJ-SECBINFHSA-N -1 1 280.320 2.506 20 10 CFCDMM C[C@H]1CC/C(=C/C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784072152 628771815 /nfs/dbraw/zinc/77/18/15/628771815.db2.gz UYUVQKINDRLADN-QBQSQJOESA-N -1 1 290.315 2.570 20 10 CFCDMM CCC[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000784445792 628817313 /nfs/dbraw/zinc/81/73/13/628817313.db2.gz NOKORBJGQSZKMY-GFCCVEGCSA-N -1 1 294.347 2.896 20 10 CFCDMM CN(Cc1cccc(F)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789940390 629198370 /nfs/dbraw/zinc/19/83/70/629198370.db2.gz XEHDFRWPHFLQBM-UHFFFAOYSA-N -1 1 293.269 2.648 20 10 CFCDMM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)s1 ZINC000113835497 635701390 /nfs/dbraw/zinc/70/13/90/635701390.db2.gz BZMXDVWVZHZVNW-UKTHLTGXSA-N -1 1 284.340 2.518 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CNc1cnn(CCF)c1 ZINC000862483492 637399598 /nfs/dbraw/zinc/39/95/98/637399598.db2.gz OJYUTJGXEJYRDI-UHFFFAOYSA-N -1 1 287.697 2.963 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCC2(CC2)CC1 ZINC000863943501 637818395 /nfs/dbraw/zinc/81/83/95/637818395.db2.gz DUDNKTXQNIKRFJ-UHFFFAOYSA-N -1 1 279.311 2.643 20 10 CFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000189430192 650380732 /nfs/dbraw/zinc/38/07/32/650380732.db2.gz FWEWCMQIANTXJJ-UHFFFAOYSA-N -1 1 295.335 2.895 20 10 CFCDMM CCC[C@@H](CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000873419360 642196121 /nfs/dbraw/zinc/19/61/21/642196121.db2.gz RBHGXFPYYOUEMC-SNVBAGLBSA-N -1 1 280.320 2.650 20 10 CFCDMM CC1(C(=O)[O-])CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000086776410 650797518 /nfs/dbraw/zinc/79/75/18/650797518.db2.gz SAXWPSKLHDSVNO-UHFFFAOYSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)cc1Cl ZINC000128671197 644852660 /nfs/dbraw/zinc/85/26/60/644852660.db2.gz JCBPYLPXFQRAMU-FPYGCLRLSA-N -1 1 273.741 2.968 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Cl)cc1F ZINC000588542773 770970933 /nfs/dbraw/zinc/97/09/33/770970933.db2.gz SBMDFKHBJGVCKV-FPYGCLRLSA-N -1 1 273.741 2.968 20 10 CFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CC1 ZINC001227580461 776233749 /nfs/dbraw/zinc/23/37/49/776233749.db2.gz QQERTMMOECVCNS-UHFFFAOYSA-N -1 1 280.279 2.709 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2CCCCCCC2)c([O-])c1 ZINC001231452992 777224047 /nfs/dbraw/zinc/22/40/47/777224047.db2.gz ZGPXHENQFGMSQT-UHFFFAOYSA-N -1 1 263.337 2.857 20 10 CFCDMM [O-]c1cc(O)c(CN2CC(F)(F)C[C@H]2CF)cc1Cl ZINC001232261268 777496071 /nfs/dbraw/zinc/49/60/71/777496071.db2.gz YBGKFPDSNKILMY-QMMMGPOBSA-N -1 1 295.688 2.930 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC(F)(F)C[C@H]1CF ZINC001233332159 777889034 /nfs/dbraw/zinc/88/90/34/777889034.db2.gz ANKVQWUBSRMPMM-ZETCQYMHSA-N -1 1 281.224 2.850 20 10 CFCDMM CCOC(=O)[C@@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233335175 777894465 /nfs/dbraw/zinc/89/44/65/777894465.db2.gz KGMRIRVMBSKXTN-LBPRGKRZSA-N -1 1 299.317 2.588 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1nccs1 ZINC001234475060 778233740 /nfs/dbraw/zinc/23/37/40/778233740.db2.gz COOWUXXZMLSQNC-QMMMGPOBSA-N -1 1 279.317 2.897 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1OC1Cc2ccccc2C1 ZINC001234474026 778233769 /nfs/dbraw/zinc/23/37/69/778233769.db2.gz NBJZWBOJFJJZAQ-UHFFFAOYSA-N -1 1 284.311 2.847 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001234474016 778233954 /nfs/dbraw/zinc/23/39/54/778233954.db2.gz MYMCYMPQCREDIV-IMSIIYSGSA-N -1 1 260.289 2.644 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001234475013 778233969 /nfs/dbraw/zinc/23/39/69/778233969.db2.gz BUAFOBBPALNPTI-SNVBAGLBSA-N -1 1 294.200 2.722 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C(F)(F)F ZINC001234474913 778234105 /nfs/dbraw/zinc/23/41/05/778234105.db2.gz ZNKVBOBMOAYYLB-LURJTMIESA-N -1 1 264.199 2.630 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ccncc1 ZINC001234474831 778234164 /nfs/dbraw/zinc/23/41/64/778234164.db2.gz XQFBCYZWRFUDGL-SNVBAGLBSA-N -1 1 273.288 2.835 20 10 CFCDMM C[C@]1(F)CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1F ZINC001142509115 778395709 /nfs/dbraw/zinc/39/57/09/778395709.db2.gz XGTPDWGEADFLCZ-OLZOCXBDSA-N -1 1 277.261 2.942 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CC(F)(F)C2)c1 ZINC001236673597 778908309 /nfs/dbraw/zinc/90/83/09/778908309.db2.gz NHUANHUPAALFMO-UHFFFAOYSA-N -1 1 292.123 2.914 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236792722 778939691 /nfs/dbraw/zinc/93/96/91/778939691.db2.gz HFDQZXBOIGROJT-OQPBUACISA-N -1 1 290.190 2.902 20 10 CFCDMM COc1ccc(CN2CCC[C@@H]2CF)c([O-])c1Cl ZINC001236818544 778951966 /nfs/dbraw/zinc/95/19/66/778951966.db2.gz NTVBPOOKAYTIHS-SNVBAGLBSA-N -1 1 273.735 2.988 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2ccnc2C1 ZINC001237079679 779007869 /nfs/dbraw/zinc/00/78/69/779007869.db2.gz NSDPETMVARKBRO-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H](F)[C@H](F)C1 ZINC001237122419 779012828 /nfs/dbraw/zinc/01/28/28/779012828.db2.gz UXWJNPSYZGDHFY-RKDXNWHRSA-N -1 1 265.662 2.677 20 10 CFCDMM CN(Cc1ccncn1)Cc1c([O-])ccc(F)c1Cl ZINC001237127687 779021906 /nfs/dbraw/zinc/02/19/06/779021906.db2.gz IKXSVPKFZPCYRY-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM O=C1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237939285 779211222 /nfs/dbraw/zinc/21/12/22/779211222.db2.gz VHGYJVVCQRBYFW-UHFFFAOYSA-N -1 1 271.719 2.740 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])[C@@H](C)CO1 ZINC001237940193 779211622 /nfs/dbraw/zinc/21/16/22/779211622.db2.gz ITUVHLFBHLCPJY-DTWKUNHWSA-N -1 1 273.735 2.794 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCCC12COC2 ZINC001237937734 779212031 /nfs/dbraw/zinc/21/20/31/779212031.db2.gz UJOGSZZJJIVVOW-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@]12CCOC2 ZINC001237941426 779212878 /nfs/dbraw/zinc/21/28/78/779212878.db2.gz VPWBJYSMXIJPEV-ZDUSSCGKSA-N -1 1 271.719 2.550 20 10 CFCDMM Cc1cnc(CNCc2ccc(F)c(F)c2[O-])s1 ZINC000703230225 780999552 /nfs/dbraw/zinc/99/95/52/780999552.db2.gz QERRNQLUBGHRAR-UHFFFAOYSA-N -1 1 270.304 2.725 20 10 CFCDMM Cc1nc([C@H]2CCCCN2Cc2c([O-])cccc2F)no1 ZINC001137837478 781139975 /nfs/dbraw/zinc/13/99/75/781139975.db2.gz INEXSHINOFFOJB-CYBMUJFWSA-N -1 1 291.326 2.950 20 10 CFCDMM C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000132959622 377890786 /nfs/dbraw/zinc/89/07/86/377890786.db2.gz ZFYOGIBWOQXIMA-SNVBAGLBSA-N -1 1 255.745 2.656 20 10 CFCDMM C[C@H]1c2cccn2CC[N@H+]1Cc1cc(F)ccc1O ZINC000179881873 380591731 /nfs/dbraw/zinc/59/17/31/380591731.db2.gz HBEPVXYQLQPSDV-NSHDSACASA-N -1 1 260.312 2.910 20 10 CFCDMM COC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295464617 380871701 /nfs/dbraw/zinc/87/17/01/380871701.db2.gz WDQPHAQDYCWWGS-VIFPVBQESA-N -1 1 273.735 2.653 20 10 CFCDMM Oc1ccc(F)cc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000293834258 382298357 /nfs/dbraw/zinc/29/83/57/382298357.db2.gz ATOYIUZVQQTRAT-HOTGVXAUSA-N -1 1 277.339 2.675 20 10 CFCDMM CCCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295191658 382579685 /nfs/dbraw/zinc/57/96/85/382579685.db2.gz UYFDOBLDRZEMNH-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM CCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000211720503 333107476 /nfs/dbraw/zinc/10/74/76/333107476.db2.gz ADRXSDYBQMXRPQ-GASCZTMLSA-N -1 1 277.364 2.544 20 10 CFCDMM CC(C)(C)c1cnc(C=C2SC(=S)[N-]C2=O)s1 ZINC000280419242 519063897 /nfs/dbraw/zinc/06/38/97/519063897.db2.gz HYBFHPOOXCFEBS-XQRVVYSFSA-N -1 1 284.431 2.929 20 10 CFCDMM CCC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCC1 ZINC000276534141 519842008 /nfs/dbraw/zinc/84/20/08/519842008.db2.gz HZMPWGZSWHVLGW-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM CCCCCCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000276562992 520090967 /nfs/dbraw/zinc/09/09/67/520090967.db2.gz KFMYQVSHUBYLNO-UHFFFAOYSA-N -1 1 255.289 2.547 20 10 CFCDMM CCc1nn(C)cc1NCc1cccc(Cl)c1[O-] ZINC000224943469 522701080 /nfs/dbraw/zinc/70/10/80/522701080.db2.gz ZHLLXTREPDYNJB-UHFFFAOYSA-N -1 1 265.744 2.954 20 10 CFCDMM COC[C@H]1CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293540454 522853343 /nfs/dbraw/zinc/85/33/43/522853343.db2.gz CVKBVEZPBDRFPM-SNVBAGLBSA-N -1 1 276.163 2.920 20 10 CFCDMM C[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627502 524148402 /nfs/dbraw/zinc/14/84/02/524148402.db2.gz SBRKVQAWAKWQJN-DTWKUNHWSA-N -1 1 267.300 2.545 20 10 CFCDMM CN(Cc1ccccc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737493507 574144875 /nfs/dbraw/zinc/14/48/75/574144875.db2.gz BTHDLUMTKOIKJV-OAHLLOKOSA-N -1 1 271.316 2.650 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/C=C\c1ccc(F)cc1 ZINC000747698522 574207396 /nfs/dbraw/zinc/20/73/96/574207396.db2.gz LDRZKOCUACZNRT-ACMIUEAZSA-N -1 1 265.334 2.871 20 10 CFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000821515644 598183025 /nfs/dbraw/zinc/18/30/25/598183025.db2.gz KVEXXXZKLSJVHQ-SNVBAGLBSA-N -1 1 283.755 2.732 20 10 CFCDMM C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827838 605682189 /nfs/dbraw/zinc/68/21/89/605682189.db2.gz BCEGMNXVRYNVFQ-VHSXEESVSA-N -1 1 298.770 2.524 20 10 CFCDMM C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827838 605682194 /nfs/dbraw/zinc/68/21/94/605682194.db2.gz BCEGMNXVRYNVFQ-VHSXEESVSA-N -1 1 298.770 2.524 20 10 CFCDMM O=C(CSC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890758009 617834973 /nfs/dbraw/zinc/83/49/73/617834973.db2.gz PPLXAEQSHHIPCO-UHFFFAOYSA-N -1 1 299.701 2.915 20 10 CFCDMM CSC[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760673 617837941 /nfs/dbraw/zinc/83/79/41/617837941.db2.gz VTABBYKPSCWWJG-QMMMGPOBSA-N -1 1 273.785 2.661 20 10 CFCDMM O=C(C[C@H]1CCCCO1)NCc1cccc(Cl)c1[O-] ZINC000890760658 617838117 /nfs/dbraw/zinc/83/81/17/617838117.db2.gz VFFVSZAKALYNJU-LLVKDONJSA-N -1 1 283.755 2.621 20 10 CFCDMM CC(C)[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759962 617838142 /nfs/dbraw/zinc/83/81/42/617838142.db2.gz XFLWCIBCECQYTD-WDEREUQCSA-N -1 1 267.756 2.954 20 10 CFCDMM CC(C)CO[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757476 617834548 /nfs/dbraw/zinc/83/45/48/617834548.db2.gz FDDLKKCMTCHWBJ-SNVBAGLBSA-N -1 1 285.771 2.723 20 10 CFCDMM CCC1(C(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890760043 617835379 /nfs/dbraw/zinc/83/53/79/617835379.db2.gz ZEYIZBUHWHYKGX-UHFFFAOYSA-N -1 1 297.782 2.869 20 10 CFCDMM CC(C)COCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757959 617836077 /nfs/dbraw/zinc/83/60/77/617836077.db2.gz OIJPKNYQWFHYSO-UHFFFAOYSA-N -1 1 285.771 2.725 20 10 CFCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])n1ccnc1 ZINC000890761428 617840282 /nfs/dbraw/zinc/84/02/82/617840282.db2.gz RJFMBSMKXKJHCC-JTQLQIEISA-N -1 1 293.754 2.510 20 10 CFCDMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761382 617840386 /nfs/dbraw/zinc/84/03/86/617840386.db2.gz QCJBJGTYDYAXIE-ZYHUDNBSSA-N -1 1 297.782 2.865 20 10 CFCDMM CC1CC(CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000895925547 619635971 /nfs/dbraw/zinc/63/59/71/619635971.db2.gz CULISJOZOMRWFW-UHFFFAOYSA-N -1 1 282.771 2.891 20 10 CFCDMM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(C)c1O ZINC000840997794 620116446 /nfs/dbraw/zinc/11/64/46/620116446.db2.gz FDYNAHHULHXVNE-UHFFFAOYSA-N -1 1 271.744 2.651 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)ccc1O ZINC000148629816 620250327 /nfs/dbraw/zinc/25/03/27/620250327.db2.gz PBPILVZCKWHSBO-UHFFFAOYSA-N -1 1 295.335 2.949 20 10 CFCDMM C[C@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000820938738 622800617 /nfs/dbraw/zinc/80/06/17/622800617.db2.gz DSBPUFZLFLOWKH-JQWIXIFHSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825542745 623712478 /nfs/dbraw/zinc/71/24/78/623712478.db2.gz YSISGXJZQAIINL-NXEZZACHSA-N -1 1 281.327 2.793 20 10 CFCDMM CC[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826028396 623784688 /nfs/dbraw/zinc/78/46/88/623784688.db2.gz ZDJNGVDZQOLJQB-ZJUUUORDSA-N -1 1 281.327 2.936 20 10 CFCDMM Cc1ccnc(NCc2cccc(Br)c2[O-])n1 ZINC000764935428 627107759 /nfs/dbraw/zinc/10/77/59/627107759.db2.gz TYIABADRUYLRJK-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM CN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1[O-] ZINC000778519593 628312358 /nfs/dbraw/zinc/31/23/58/628312358.db2.gz JCTNPGKLVYJZBV-AWEZNQCLSA-N -1 1 272.279 2.728 20 10 CFCDMM C[C@H]1CCC[C@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784753447 628841379 /nfs/dbraw/zinc/84/13/79/628841379.db2.gz HLYCNMGRPNLVCN-QWRGUYRKSA-N -1 1 292.331 2.650 20 10 CFCDMM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784811126 628842990 /nfs/dbraw/zinc/84/29/90/628842990.db2.gz WYCREWMKLVEIMW-BDJLRTHQSA-N -1 1 292.331 2.506 20 10 CFCDMM COc1nnc(NCc2c([O-])ccc(Cl)c2F)s1 ZINC000787789264 629035587 /nfs/dbraw/zinc/03/55/87/629035587.db2.gz MOSDYNXOPNXFNW-UHFFFAOYSA-N -1 1 289.719 2.657 20 10 CFCDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])CC(F)(F)F ZINC000839850456 630164984 /nfs/dbraw/zinc/16/49/84/630164984.db2.gz SJUSTRYYGFIUBF-ZCFIWIBFSA-N -1 1 295.232 2.555 20 10 CFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000803757188 630640187 /nfs/dbraw/zinc/64/01/87/630640187.db2.gz IASMTBCOTGZNEU-UHFFFAOYSA-N -1 1 292.312 2.507 20 10 CFCDMM CC[C@H](C)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803876701 630649996 /nfs/dbraw/zinc/64/99/96/630649996.db2.gz DQGWUIMEKJFJLE-JTQLQIEISA-N -1 1 280.320 2.650 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c1O ZINC000844936126 632341959 /nfs/dbraw/zinc/34/19/59/632341959.db2.gz UJUOPDLVHUQZQQ-BXKDBHETSA-N -1 1 283.755 2.792 20 10 CFCDMM COc1nn(C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816589939 632490276 /nfs/dbraw/zinc/49/02/76/632490276.db2.gz NCWLNEQPILNEEO-UHFFFAOYSA-N -1 1 285.706 2.539 20 10 CFCDMM C[C@@H]1[C@@H](C)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000816646990 632502610 /nfs/dbraw/zinc/50/26/10/632502610.db2.gz LZLNUDMNPGCOBT-JGVFFNPUSA-N -1 1 270.716 2.794 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000818631035 632885024 /nfs/dbraw/zinc/88/50/24/632885024.db2.gz AIRJIBNMBZJJHQ-BXKDBHETSA-N -1 1 283.755 2.731 20 10 CFCDMM [O-]c1c(Br)cccc1CNc1cnccn1 ZINC000192152231 650541721 /nfs/dbraw/zinc/54/17/21/650541721.db2.gz RWBOEVMYOXQRHA-UHFFFAOYSA-N -1 1 280.125 2.557 20 10 CFCDMM CN(Cc1ccccc1O)C(=O)c1cc(F)ccc1[O-] ZINC000081943205 650731199 /nfs/dbraw/zinc/73/11/99/650731199.db2.gz JUUPALTVVZWMKA-UHFFFAOYSA-N -1 1 275.279 2.509 20 10 CFCDMM CC(C)n1ccc(CNCc2ccc(F)c(F)c2[O-])n1 ZINC000877053919 643123330 /nfs/dbraw/zinc/12/33/30/643123330.db2.gz ZYTPXLDRGQQIPV-UHFFFAOYSA-N -1 1 281.306 2.738 20 10 CFCDMM [O-]c1c(CNCc2noc3c2CCCC3)ccc(F)c1F ZINC000877535144 643337550 /nfs/dbraw/zinc/33/75/50/643337550.db2.gz WIYGTUNBHJIHSR-UHFFFAOYSA-N -1 1 294.301 2.827 20 10 CFCDMM O=C1N(c2ccccc2)[C@@H](c2cccc(F)c2[O-])NC12CC2 ZINC000877858655 643609723 /nfs/dbraw/zinc/60/97/23/643609723.db2.gz KGCRLMMHMQFSEV-HNNXBMFYSA-N -1 1 298.317 2.699 20 10 CFCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)ccc1F ZINC000209782727 644144201 /nfs/dbraw/zinc/14/42/01/644144201.db2.gz OVIGZPVSUYPQKX-WEVVVXLNSA-N -1 1 253.323 2.623 20 10 CFCDMM CN(CCF)Cc1cc(F)cc(Br)c1[O-] ZINC001235308269 778452878 /nfs/dbraw/zinc/45/28/78/778452878.db2.gz OOHHPERWSSLGIF-UHFFFAOYSA-N -1 1 280.112 2.695 20 10 CFCDMM CN(Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1F ZINC001231460973 777225878 /nfs/dbraw/zinc/22/58/78/777225878.db2.gz RVBDMWQZVQQSHE-UHFFFAOYSA-N -1 1 289.306 2.862 20 10 CFCDMM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC(F)(F)C1 ZINC001231563517 777260706 /nfs/dbraw/zinc/26/07/06/777260706.db2.gz BZNHTVMZUQQKKC-UHFFFAOYSA-N -1 1 285.290 2.568 20 10 CFCDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC(F)(F)C1 ZINC001231563517 777260716 /nfs/dbraw/zinc/26/07/16/777260716.db2.gz BZNHTVMZUQQKKC-UHFFFAOYSA-N -1 1 285.290 2.568 20 10 CFCDMM CN(Cc1cc(Cl)c([O-])cc1O)CC(F)(F)F ZINC001232258628 777496577 /nfs/dbraw/zinc/49/65/77/777496577.db2.gz BGVSRLQAKRPYIO-UHFFFAOYSA-N -1 1 269.650 2.745 20 10 CFCDMM C[C@@]1(F)CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1F ZINC001233332575 777892234 /nfs/dbraw/zinc/89/22/34/777892234.db2.gz PLOZCJLOJUISGK-WCQYABFASA-N -1 1 277.261 2.942 20 10 CFCDMM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001233332758 777892560 /nfs/dbraw/zinc/89/25/60/777892560.db2.gz WRIBAVTTXMABEI-IINYFYTJSA-N -1 1 283.318 2.671 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCC(=O)CC1 ZINC001233494788 777967598 /nfs/dbraw/zinc/96/75/98/777967598.db2.gz IMLQQSLOUYPKIP-UHFFFAOYSA-N -1 1 292.331 2.971 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCC[C@@H]1C ZINC001234473083 778234189 /nfs/dbraw/zinc/23/41/89/778234189.db2.gz BGKUBCNALFVVMZ-ISVAXAHUSA-N -1 1 250.294 2.868 20 10 CFCDMM COc1cc([O-])c(CN2Cc3ccncc3C2)c(Cl)c1 ZINC001236800994 778942874 /nfs/dbraw/zinc/94/28/74/778942874.db2.gz CPRPNPZGZKEYGS-UHFFFAOYSA-N -1 1 290.750 2.965 20 10 CFCDMM C[C@@H]1COCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237076896 779005734 /nfs/dbraw/zinc/00/57/34/779005734.db2.gz AGHFGZFQZZRYLK-MRVPVSSYSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCn2cncc2C1 ZINC001237084591 779008567 /nfs/dbraw/zinc/00/85/67/779008567.db2.gz LNHTZQSURJZNES-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM Cc1ncc2n1CCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237123160 779018505 /nfs/dbraw/zinc/01/85/05/779018505.db2.gz HYKAWHDCIDDLIW-UHFFFAOYSA-N -1 1 295.745 2.705 20 10 CFCDMM O=C1CN(Cc2c([O-])ccc(F)c2Cl)CCC[C@@H]1F ZINC001237122252 779018698 /nfs/dbraw/zinc/01/86/98/779018698.db2.gz SIUMFEYHTZKXNV-VIFPVBQESA-N -1 1 289.709 2.688 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H](F)[C@@H](F)C1 ZINC001237933465 779209756 /nfs/dbraw/zinc/20/97/56/779209756.db2.gz CDQHXUFGGHBIHL-AOOOYVTPSA-N -1 1 265.662 2.677 20 10 CFCDMM C[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237935210 779211121 /nfs/dbraw/zinc/21/11/21/779211121.db2.gz RNKFAUWFZNZJLX-VIFPVBQESA-N -1 1 285.746 2.986 20 10 CFCDMM Cc1ncc2n1CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237934702 779211540 /nfs/dbraw/zinc/21/15/40/779211540.db2.gz NEXMBRUCQCPOPZ-UHFFFAOYSA-N -1 1 295.745 2.705 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC[C@H]2C)c1[O-] ZINC000037323495 372663534 /nfs/dbraw/zinc/66/35/34/372663534.db2.gz VFBAMTPUIHBTBJ-ZJUUUORDSA-N -1 1 297.782 2.857 20 10 CFCDMM C[C@@H]1c2cccn2CC[N@H+]1Cc1cc(F)ccc1O ZINC000179881860 380592064 /nfs/dbraw/zinc/59/20/64/380592064.db2.gz HBEPVXYQLQPSDV-LLVKDONJSA-N -1 1 260.312 2.910 20 10 CFCDMM [O-]c1cccc(Cl)c1CN1CCOCC(F)(F)C1 ZINC000367685909 267108880 /nfs/dbraw/zinc/10/88/80/267108880.db2.gz NJUWPWPDZPWTHB-UHFFFAOYSA-N -1 1 277.698 2.513 20 10 CFCDMM O=C([O-])N1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740512606 574252381 /nfs/dbraw/zinc/25/23/81/574252381.db2.gz OIHNWFWAJLPSAE-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1occc1Br ZINC000735305576 574319975 /nfs/dbraw/zinc/31/99/75/574319975.db2.gz VUSLJKGAULQHQK-UTCJRWHESA-N -1 1 290.163 2.531 20 10 CFCDMM CC[C@H](C)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828747658 601825442 /nfs/dbraw/zinc/82/54/42/601825442.db2.gz RVTBSTWPWVTVOC-JTQLQIEISA-N -1 1 285.771 2.978 20 10 CFCDMM CC[C@H](C)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000828747658 601825444 /nfs/dbraw/zinc/82/54/44/601825444.db2.gz RVTBSTWPWVTVOC-JTQLQIEISA-N -1 1 285.771 2.978 20 10 CFCDMM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC000405351163 604649435 /nfs/dbraw/zinc/64/94/35/604649435.db2.gz CZEUMFPPQVDJMI-NSHDSACASA-N -1 1 295.766 2.732 20 10 CFCDMM C[C@H](C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC1)C(=O)[O-] ZINC000833516736 605752103 /nfs/dbraw/zinc/75/21/03/605752103.db2.gz VEJNWJZJIGJWBX-SECBINFHSA-N -1 1 283.755 2.731 20 10 CFCDMM CC1(C)Cc2cccc(C=C3SC(=S)[N-]C3=O)c2O1 ZINC000255014783 617748526 /nfs/dbraw/zinc/74/85/26/617748526.db2.gz RDFQBETWEBYWKY-UXBLZVDNSA-N -1 1 291.397 2.889 20 10 CFCDMM COC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890759519 617837080 /nfs/dbraw/zinc/83/70/80/617837080.db2.gz MMHYXSYKZLWABX-UHFFFAOYSA-N -1 1 283.755 2.621 20 10 CFCDMM C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759716 617837660 /nfs/dbraw/zinc/83/76/60/617837660.db2.gz PEJJUNUVAFKVDO-ZJUUUORDSA-N -1 1 295.766 2.667 20 10 CFCDMM CO[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761334 617838157 /nfs/dbraw/zinc/83/81/57/617838157.db2.gz OMVVGBAPPYJGIP-AAEUAGOBSA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCC1=O ZINC000890760395 617838211 /nfs/dbraw/zinc/83/82/11/617838211.db2.gz QSSYECHSDPPMKP-NXEZZACHSA-N -1 1 295.766 2.667 20 10 CFCDMM CC1(C)C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760562 617838850 /nfs/dbraw/zinc/83/88/50/617838850.db2.gz TWRQWXNSWQVCCA-VIFPVBQESA-N -1 1 253.729 2.708 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(F)CCCC1 ZINC000890760010 617838883 /nfs/dbraw/zinc/83/88/83/617838883.db2.gz YOYKZVNXZRMOJB-UHFFFAOYSA-N -1 1 271.719 2.944 20 10 CFCDMM CCCCC[C@@H](O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761781 617841620 /nfs/dbraw/zinc/84/16/20/617841620.db2.gz XPSYQCUHWMLICJ-GFCCVEGCSA-N -1 1 285.771 2.603 20 10 CFCDMM O=C(N[C@H]1CCCC2(CC2)C1)c1c(F)ccc(O)c1[O-] ZINC000900763704 620715988 /nfs/dbraw/zinc/71/59/88/620715988.db2.gz RSAQSGWVTQQFBD-VIFPVBQESA-N -1 1 279.311 2.690 20 10 CFCDMM CCCc1cc(C(=O)NCc2cccc(Cl)c2[O-])[nH]n1 ZINC000890758152 617836151 /nfs/dbraw/zinc/83/61/51/617836151.db2.gz RWIRPMXBDUUYBO-UHFFFAOYSA-N -1 1 293.754 2.651 20 10 CFCDMM COCC(C)(C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760986 617840227 /nfs/dbraw/zinc/84/02/27/617840227.db2.gz HMJDNFGLJMUUTL-UHFFFAOYSA-N -1 1 285.771 2.725 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cccc(Cl)c1F ZINC000178000813 618184886 /nfs/dbraw/zinc/18/48/86/618184886.db2.gz ICUWWMUMOJCWQJ-DAXSKMNVSA-N -1 1 273.741 2.968 20 10 CFCDMM O=C(NCCC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000893337953 618412339 /nfs/dbraw/zinc/41/23/39/618412339.db2.gz HKTARLVKJORSRK-UHFFFAOYSA-N -1 1 296.676 2.797 20 10 CFCDMM [O-]c1c(CN2CC3(CC(F)C3)C2)ccc(F)c1F ZINC000877581334 618440272 /nfs/dbraw/zinc/44/02/72/618440272.db2.gz XNJDZQHAHVGWOP-UHFFFAOYSA-N -1 1 257.255 2.604 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C[C@H]1C1CC1 ZINC000894570402 619421343 /nfs/dbraw/zinc/42/13/43/619421343.db2.gz ZKQRMAQCCRFCDP-CMPLNLGQSA-N -1 1 280.755 2.643 20 10 CFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cn1 ZINC000795342623 619564976 /nfs/dbraw/zinc/56/49/76/619564976.db2.gz ABMJOJCNNCJQFG-UHFFFAOYSA-N -1 1 298.751 2.550 20 10 CFCDMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1C ZINC000828399202 624238055 /nfs/dbraw/zinc/23/80/55/624238055.db2.gz MWZHMMMCVNTGIJ-KXUCPTDWSA-N -1 1 281.327 2.791 20 10 CFCDMM C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829902457 624579073 /nfs/dbraw/zinc/57/90/73/624579073.db2.gz GHNUXLGZXXHFHF-ZJUUUORDSA-N -1 1 281.327 2.936 20 10 CFCDMM CCc1ncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000834900378 625915828 /nfs/dbraw/zinc/91/58/28/625915828.db2.gz PEEPXHPLMIRJRY-VIFPVBQESA-N -1 1 291.307 2.702 20 10 CFCDMM CCCCCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782985455 628667668 /nfs/dbraw/zinc/66/76/68/628667668.db2.gz GULDIZHFEPXCMO-UHFFFAOYSA-N -1 1 280.320 2.794 20 10 CFCDMM CC[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000783502139 628713887 /nfs/dbraw/zinc/71/38/87/628713887.db2.gz IDPGGEIMPCIMQP-LLVKDONJSA-N -1 1 294.347 2.896 20 10 CFCDMM CCC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCC1 ZINC000784105427 628776935 /nfs/dbraw/zinc/77/69/35/628776935.db2.gz SEQXGYDZTICORE-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM CC/C(C)=C(/C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616799 628831215 /nfs/dbraw/zinc/83/12/15/628831215.db2.gz ZVCGJJBWTZLAIG-KTKRTIGZSA-N -1 1 278.304 2.570 20 10 CFCDMM CC1(C)CC[C@@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000784630329 628832740 /nfs/dbraw/zinc/83/27/40/628832740.db2.gz HVPPJUXXFZZPPW-LLVKDONJSA-N -1 1 292.331 2.650 20 10 CFCDMM CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784811128 628843169 /nfs/dbraw/zinc/84/31/69/628843169.db2.gz WYCREWMKLVEIMW-BZNIZROVSA-N -1 1 292.331 2.506 20 10 CFCDMM O=C(COC(=O)C1=CCCCCC1)c1ccc([O-])c(O)c1 ZINC000784802875 628843420 /nfs/dbraw/zinc/84/34/20/628843420.db2.gz ZBYLTLOFKZNRMR-UHFFFAOYSA-N -1 1 290.315 2.714 20 10 CFCDMM CN(Cc1ccccc1O)C(=O)c1c(F)ccc([O-])c1F ZINC000798161982 630157947 /nfs/dbraw/zinc/15/79/47/630157947.db2.gz JMSNBKLUCIDBOJ-UHFFFAOYSA-N -1 1 293.269 2.648 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCOCC23CC3)c1[O-] ZINC000801981093 630496723 /nfs/dbraw/zinc/49/67/23/630496723.db2.gz IJPFNKFEBGHCDJ-UHFFFAOYSA-N -1 1 295.766 2.613 20 10 CFCDMM CC(C)CCCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837829192 631138056 /nfs/dbraw/zinc/13/80/56/631138056.db2.gz PYFRBTOKCITMQH-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM CC(C)C[C@@H]1C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837973669 631155392 /nfs/dbraw/zinc/15/53/92/631155392.db2.gz MDVXQFKXCPABDZ-VXGBXAGGSA-N -1 1 292.331 2.506 20 10 CFCDMM C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631062 632884544 /nfs/dbraw/zinc/88/45/44/632884544.db2.gz BHMYPODHXAJSBL-TVQRCGJNSA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631062 632884548 /nfs/dbraw/zinc/88/45/48/632884548.db2.gz BHMYPODHXAJSBL-TVQRCGJNSA-N -1 1 283.755 2.731 20 10 CFCDMM O=C([O-])[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000854248539 635271631 /nfs/dbraw/zinc/27/16/31/635271631.db2.gz XIYVLSAWXOMHAN-LBPRGKRZSA-N -1 1 283.755 2.636 20 10 CFCDMM C/C=C/CNC(=O)NCc1cccc(Br)c1[O-] ZINC000858889015 636372285 /nfs/dbraw/zinc/37/22/85/636372285.db2.gz WYLIJLQRLUUTJY-NSCUHMNNSA-N -1 1 299.168 2.530 20 10 CFCDMM COc1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000877325986 643240116 /nfs/dbraw/zinc/24/01/16/643240116.db2.gz PIXHLCYEBOBUCI-UHFFFAOYSA-N -1 1 294.301 2.706 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cnn(CC2CC2)c1 ZINC000883078005 645594670 /nfs/dbraw/zinc/59/46/70/645594670.db2.gz DLYRZAMZTQRQFS-UHFFFAOYSA-N -1 1 279.290 2.889 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cs1 ZINC000588600782 775266397 /nfs/dbraw/zinc/26/63/97/775266397.db2.gz BKPZOFSBGWDTHQ-QHHAFSJGSA-N -1 1 261.780 2.890 20 10 CFCDMM C[C@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446163 777220719 /nfs/dbraw/zinc/22/07/19/777220719.db2.gz FENYSKCNZDXATC-HNNXBMFYSA-N -1 1 281.327 2.805 20 10 CFCDMM C[C@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446163 777220729 /nfs/dbraw/zinc/22/07/29/777220729.db2.gz FENYSKCNZDXATC-HNNXBMFYSA-N -1 1 281.327 2.805 20 10 CFCDMM CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453185 777223594 /nfs/dbraw/zinc/22/35/94/777223594.db2.gz DFJCJQHBONRRHB-CYBMUJFWSA-N -1 1 263.337 2.711 20 10 CFCDMM CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453185 777223602 /nfs/dbraw/zinc/22/36/02/777223602.db2.gz DFJCJQHBONRRHB-CYBMUJFWSA-N -1 1 263.337 2.711 20 10 CFCDMM CN(Cc1cc(C(=O)[O-])ccc1O)Cc1ccccc1F ZINC001231564809 777261214 /nfs/dbraw/zinc/26/12/14/777261214.db2.gz ZBDYAMZIXUOHRP-UHFFFAOYSA-N -1 1 289.306 2.862 20 10 CFCDMM CCC(CC)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566311 777261255 /nfs/dbraw/zinc/26/12/55/777261255.db2.gz XDGAOYBOYCHMFY-UHFFFAOYSA-N -1 1 251.326 2.711 20 10 CFCDMM CCC(CC)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566311 777261260 /nfs/dbraw/zinc/26/12/60/777261260.db2.gz XDGAOYBOYCHMFY-UHFFFAOYSA-N -1 1 251.326 2.711 20 10 CFCDMM CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC1 ZINC001231563313 777261968 /nfs/dbraw/zinc/26/19/68/777261968.db2.gz HLPOTZKUVDBYBX-UHFFFAOYSA-N -1 1 263.337 2.711 20 10 CFCDMM CC(C)[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CC1 ZINC001231563313 777261975 /nfs/dbraw/zinc/26/19/75/777261975.db2.gz HLPOTZKUVDBYBX-UHFFFAOYSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1c(CN2CCc3cc(O)ccc3C2)ccc(F)c1F ZINC001233076874 777789730 /nfs/dbraw/zinc/78/97/30/777789730.db2.gz WOBFNSIOEDQRHY-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2ncsc2C1 ZINC001233335219 777892186 /nfs/dbraw/zinc/89/21/86/777892186.db2.gz MKVXJWXTTSEKBT-UHFFFAOYSA-N -1 1 282.315 2.685 20 10 CFCDMM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001233335182 777893812 /nfs/dbraw/zinc/89/38/12/777893812.db2.gz KLPQXKZILHLUMN-AOOOYVTPSA-N -1 1 281.302 2.756 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccncc1 ZINC001234474830 778233325 /nfs/dbraw/zinc/23/33/25/778233325.db2.gz XQFBCYZWRFUDGL-JTQLQIEISA-N -1 1 273.288 2.835 20 10 CFCDMM COC1=CC[C@H](Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234475351 778233528 /nfs/dbraw/zinc/23/35/28/778233528.db2.gz FYGAEZJQRDFCLV-NSHDSACASA-N -1 1 278.304 2.762 20 10 CFCDMM COC(C)(C)C[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234476178 778234920 /nfs/dbraw/zinc/23/49/20/778234920.db2.gz LNOKZPFCNRIMBG-SECBINFHSA-N -1 1 282.336 2.883 20 10 CFCDMM C[C@@]1(F)CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1F ZINC001142509114 778395909 /nfs/dbraw/zinc/39/59/09/778395909.db2.gz XGTPDWGEADFLCZ-CHWSQXEVSA-N -1 1 277.261 2.942 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CC(Oc2ccccc2)C1 ZINC001142520313 778398839 /nfs/dbraw/zinc/39/88/39/778398839.db2.gz FVCNOVQCBXUGNI-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM Cc1noc([C@@H]2CCCN2Cc2cc(F)c(F)cc2[O-])n1 ZINC001142527279 778402449 /nfs/dbraw/zinc/40/24/49/778402449.db2.gz RCVBDCNKGYGFSO-LBPRGKRZSA-N -1 1 295.289 2.699 20 10 CFCDMM O=C1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236797333 778940940 /nfs/dbraw/zinc/94/09/40/778940940.db2.gz XCBGAKCGSIAWMP-UHFFFAOYSA-N -1 1 274.147 2.864 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCC12COC2 ZINC001237083037 779006773 /nfs/dbraw/zinc/00/67/73/779006773.db2.gz XBPVWIOWFHIQAY-UHFFFAOYSA-N -1 1 274.147 2.674 20 10 CFCDMM CCOC(=O)CN(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237079981 779007049 /nfs/dbraw/zinc/00/70/49/779007049.db2.gz QFQNVZXHPZKIGS-UHFFFAOYSA-N -1 1 292.162 2.694 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001237124707 779020550 /nfs/dbraw/zinc/02/05/50/779020550.db2.gz RPKSHJGGERLWON-DKCNOQQISA-N -1 1 273.710 2.975 20 10 CFCDMM CO[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001233416007 779040451 /nfs/dbraw/zinc/04/04/51/779040451.db2.gz SEMRNFHELNWGIK-WDEREUQCSA-N -1 1 293.260 2.580 20 10 CFCDMM CO[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001233416006 779041502 /nfs/dbraw/zinc/04/15/02/779041502.db2.gz SEMRNFHELNWGIK-QWRGUYRKSA-N -1 1 293.260 2.580 20 10 CFCDMM CC(=O)[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798222 779179816 /nfs/dbraw/zinc/17/98/16/779179816.db2.gz BDSGELXAOYRATE-JTQLQIEISA-N -1 1 285.746 2.986 20 10 CFCDMM CC(=O)[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798223 779180262 /nfs/dbraw/zinc/18/02/62/779180262.db2.gz BDSGELXAOYRATE-SNVBAGLBSA-N -1 1 285.746 2.986 20 10 CFCDMM CN(Cc1ccncn1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237803908 779182949 /nfs/dbraw/zinc/18/29/49/779182949.db2.gz VVWQQKVNFRMNED-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(COC2)C1 ZINC001236794534 779639086 /nfs/dbraw/zinc/63/90/86/779639086.db2.gz SKTKAGZRIKTBCI-UHFFFAOYSA-N -1 1 274.147 2.531 20 10 CFCDMM C[C@H]1COCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793287 779639212 /nfs/dbraw/zinc/63/92/12/779639212.db2.gz JVLAWFPHAXEMDP-QMMMGPOBSA-N -1 1 276.163 2.920 20 10 CFCDMM Cc1nc([C@@H]2CCCCN2Cc2c([O-])cccc2F)no1 ZINC001137837479 781139818 /nfs/dbraw/zinc/13/98/18/781139818.db2.gz INEXSHINOFFOJB-ZDUSSCGKSA-N -1 1 291.326 2.950 20 10 CFCDMM Cc1cc2c(cn1)CN(Cc1c([O-])cccc1F)C2 ZINC001137838544 781158761 /nfs/dbraw/zinc/15/87/61/781158761.db2.gz CMLQUKBDLFXNEL-UHFFFAOYSA-N -1 1 258.296 2.751 20 10 CFCDMM [O-]c1cccc(Cl)c1CN(CCCO)CC(F)(F)F ZINC000131138741 377665055 /nfs/dbraw/zinc/66/50/55/377665055.db2.gz VKZGZBLWIVWMEQ-UHFFFAOYSA-N -1 1 297.704 2.792 20 10 CFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncccc1[O-] ZINC000153677712 378504690 /nfs/dbraw/zinc/50/46/90/378504690.db2.gz BADZKDCRGUVALO-UHFFFAOYSA-N -1 1 299.374 2.516 20 10 CFCDMM CCCN(Cc1ccccc1O)C(=O)c1ncccc1[O-] ZINC000153987824 378530166 /nfs/dbraw/zinc/53/01/66/378530166.db2.gz OCRBJGXQNRKTPZ-UHFFFAOYSA-N -1 1 286.331 2.545 20 10 CFCDMM C[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1(C)C ZINC000295054995 394296668 /nfs/dbraw/zinc/29/66/68/394296668.db2.gz YCNDHEMUVDFFPE-VIFPVBQESA-N -1 1 281.327 2.745 20 10 CFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CC2)c1[O-] ZINC000037322961 260159786 /nfs/dbraw/zinc/15/97/86/260159786.db2.gz YNZUPYHOCNDLBO-UHFFFAOYSA-N -1 1 253.729 2.842 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C)[C@H]2C)c1[O-] ZINC000155958743 518279465 /nfs/dbraw/zinc/27/94/65/518279465.db2.gz OGUJUSQMVCPQRD-KOLCDFICSA-N -1 1 297.782 2.857 20 10 CFCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277564568 520226093 /nfs/dbraw/zinc/22/60/93/520226093.db2.gz PUPAXECNXLNTLB-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM CC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCC1 ZINC000276606318 520726593 /nfs/dbraw/zinc/72/65/93/520726593.db2.gz OXFDOWFOPGVAMF-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM COC[C@@H]1CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000293540450 522483738 /nfs/dbraw/zinc/48/37/38/522483738.db2.gz CVKBVEZPBDRFPM-JTQLQIEISA-N -1 1 276.163 2.920 20 10 CFCDMM CS[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647270 525837493 /nfs/dbraw/zinc/83/74/93/525837493.db2.gz VZRIMCDWNQDUET-DTWKUNHWSA-N -1 1 299.367 2.641 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])C1CCC1 ZINC000277599985 526710755 /nfs/dbraw/zinc/71/07/55/526710755.db2.gz UDDHMFLZRPBGNQ-UHFFFAOYSA-N -1 1 284.153 2.571 20 10 CFCDMM CC(C)[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccncc21 ZINC000736467808 574056853 /nfs/dbraw/zinc/05/68/53/574056853.db2.gz GWEYUSLFSZSLEG-UHFFFAOYSA-N -1 1 288.347 2.626 20 10 CFCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccncc21 ZINC000736467808 574056855 /nfs/dbraw/zinc/05/68/55/574056855.db2.gz GWEYUSLFSZSLEG-UHFFFAOYSA-N -1 1 288.347 2.626 20 10 CFCDMM O=S(=O)(Nc1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000753013852 574397603 /nfs/dbraw/zinc/39/76/03/574397603.db2.gz BDEBIDBNYKLNHK-UHFFFAOYSA-N -1 1 291.300 2.533 20 10 CFCDMM Fc1cccc(Sc2nccs2)c1-c1nn[n-]n1 ZINC000737662708 598241240 /nfs/dbraw/zinc/24/12/40/598241240.db2.gz CZDLAKFHPPTFRD-UHFFFAOYSA-N -1 1 279.325 2.614 20 10 CFCDMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(N(C)C)cc1 ZINC000827741320 604330202 /nfs/dbraw/zinc/33/02/02/604330202.db2.gz LNHSZFPDKLBCRB-LLVKDONJSA-N -1 1 288.347 2.895 20 10 CFCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC000833497248 605242425 /nfs/dbraw/zinc/24/24/25/605242425.db2.gz YDTGTUYWHQYYLZ-UHFFFAOYSA-N -1 1 271.744 2.731 20 10 CFCDMM O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000834220609 605990634 /nfs/dbraw/zinc/99/06/34/605990634.db2.gz QBHJWUDLJNPCCH-LLVKDONJSA-N -1 1 298.770 2.668 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1C(F)F ZINC000890759717 617837020 /nfs/dbraw/zinc/83/70/20/617837020.db2.gz PESXVOLVPAWWOX-YUMQZZPRSA-N -1 1 275.682 2.563 20 10 CFCDMM O=C(CCCC(=O)C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890760865 617838248 /nfs/dbraw/zinc/83/82/48/617838248.db2.gz BTOKZIJKOXOPPM-UHFFFAOYSA-N -1 1 295.766 2.811 20 10 CFCDMM CO[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761336 617839078 /nfs/dbraw/zinc/83/90/78/617839078.db2.gz OMVVGBAPPYJGIP-WCQYABFASA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)(F)F ZINC000890761422 617840342 /nfs/dbraw/zinc/84/03/42/617840342.db2.gz RETCXOGYTBIILS-SSDOTTSWSA-N -1 1 277.698 2.953 20 10 CFCDMM O=C(CC(F)(F)C(F)F)NCc1cccc(Cl)c1[O-] ZINC000890762791 617842795 /nfs/dbraw/zinc/84/27/95/617842795.db2.gz ITNHGKPFRYMERX-UHFFFAOYSA-N -1 1 299.651 2.952 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1C=CCC1 ZINC000896418208 619733379 /nfs/dbraw/zinc/73/33/79/619733379.db2.gz KYPCQAZVRLPHMB-SNVBAGLBSA-N -1 1 280.755 2.811 20 10 CFCDMM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000896583242 619766943 /nfs/dbraw/zinc/76/69/43/619766943.db2.gz DARPKZAHHUDCJO-VIFPVBQESA-N -1 1 273.735 2.796 20 10 CFCDMM CC(C)Cc1ccc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000899341077 620546802 /nfs/dbraw/zinc/54/68/02/620546802.db2.gz SMKGYINPLJURCI-WDZFZDKYSA-N -1 1 278.402 2.769 20 10 CFCDMM C[C@@H]1C[C@@H]1c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905417669 621764005 /nfs/dbraw/zinc/76/40/05/621764005.db2.gz CLEVBSZCQQHJDL-MUWHJKNJSA-N -1 1 281.262 2.789 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC(C2CCCCC2)C1 ZINC000832908943 625537792 /nfs/dbraw/zinc/53/77/92/625537792.db2.gz TTXRXXBGMPZKRH-UHFFFAOYSA-N -1 1 293.338 2.889 20 10 CFCDMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C ZINC000828399201 624238079 /nfs/dbraw/zinc/23/80/79/624238079.db2.gz MWZHMMMCVNTGIJ-BBBLOLIVSA-N -1 1 281.327 2.791 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cnc(C2CCC2)s1 ZINC000155137399 624643708 /nfs/dbraw/zinc/64/37/08/624643708.db2.gz DIUGXPSQDTVTEW-YWEYNIOJSA-N -1 1 282.415 2.899 20 10 CFCDMM C[C@H]1CC=C(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000838345457 626492864 /nfs/dbraw/zinc/49/28/64/626492864.db2.gz AYUIGEFPOKNKHP-JTQLQIEISA-N -1 1 290.315 2.570 20 10 CFCDMM CC[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000783502141 628714014 /nfs/dbraw/zinc/71/40/14/628714014.db2.gz IDPGGEIMPCIMQP-NSHDSACASA-N -1 1 294.347 2.896 20 10 CFCDMM CCN(Cc1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789946948 629199263 /nfs/dbraw/zinc/19/92/63/629199263.db2.gz SXUQUJSWIOQNPJ-UHFFFAOYSA-N -1 1 289.306 2.899 20 10 CFCDMM CC1(C)CC(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000796283301 629900438 /nfs/dbraw/zinc/90/04/38/629900438.db2.gz UMNSITKRODQLAU-UHFFFAOYSA-N -1 1 292.331 2.650 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@@]2(CCSC2)C1 ZINC000843417311 631949099 /nfs/dbraw/zinc/94/90/99/631949099.db2.gz APWLYTUTJSIEAV-AWEZNQCLSA-N -1 1 299.823 2.754 20 10 CFCDMM C[C@H]1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000845421500 632431454 /nfs/dbraw/zinc/43/14/54/632431454.db2.gz PCZZEJPVBZDUST-XYPYZODXSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631061 632884848 /nfs/dbraw/zinc/88/48/48/632884848.db2.gz BHMYPODHXAJSBL-RNCFNFMXSA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631061 632884852 /nfs/dbraw/zinc/88/48/52/632884852.db2.gz BHMYPODHXAJSBL-RNCFNFMXSA-N -1 1 283.755 2.731 20 10 CFCDMM CC(C)C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)[O-] ZINC000818630646 632884886 /nfs/dbraw/zinc/88/48/86/632884886.db2.gz UVUJKJFKXHASJG-SNVBAGLBSA-N -1 1 285.771 2.882 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N(CCC1CC1)CC1CC1 ZINC000857334397 635967032 /nfs/dbraw/zinc/96/70/32/635967032.db2.gz XWPMIBCZNFJJDY-UHFFFAOYSA-N -1 1 293.338 2.889 20 10 CFCDMM CC(C)c1nnc([C@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877125867 643164805 /nfs/dbraw/zinc/16/48/05/643164805.db2.gz CBUPCWKQPBJMNR-QMMMGPOBSA-N -1 1 296.321 2.763 20 10 CFCDMM [O-]c1c(CN2CCC[C@H](OC(F)F)C2)ccc(F)c1F ZINC000877189397 643196517 /nfs/dbraw/zinc/19/65/17/643196517.db2.gz OOOYSYYFSVUFGR-VIFPVBQESA-N -1 1 293.260 2.874 20 10 CFCDMM C[C@H]1C[C@@H](NCc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571121 643369925 /nfs/dbraw/zinc/36/99/25/643369925.db2.gz WSFLWOCVTGOYSQ-GZMMTYOYSA-N -1 1 279.290 2.663 20 10 CFCDMM [O-]c1c(F)c(F)ccc1Cn1cnc2c1CCCC2 ZINC000877649435 643430753 /nfs/dbraw/zinc/43/07/53/643430753.db2.gz XEYHUQRFQJILBW-UHFFFAOYSA-N -1 1 264.275 2.794 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485167 770721057 /nfs/dbraw/zinc/72/10/57/770721057.db2.gz RSISGEGPUXGISE-ZJUUUORDSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000693485167 770721061 /nfs/dbraw/zinc/72/10/61/770721061.db2.gz RSISGEGPUXGISE-ZJUUUORDSA-N -1 1 283.755 2.588 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001231448770 777221837 /nfs/dbraw/zinc/22/18/37/777221837.db2.gz BBQGDYHHYJMATP-AAEUAGOBSA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1 ZINC001231448770 777221844 /nfs/dbraw/zinc/22/18/44/777221844.db2.gz BBQGDYHHYJMATP-AAEUAGOBSA-N -1 1 275.348 2.712 20 10 CFCDMM CC1(C)CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452684 777222695 /nfs/dbraw/zinc/22/26/95/777222695.db2.gz ROXCIQXTJVARQX-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001233332702 777890191 /nfs/dbraw/zinc/89/01/91/777890191.db2.gz VAHHCMHBUSOCRP-JTQLQIEISA-N -1 1 281.224 2.850 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC2(C1)CC(F)(F)C2 ZINC001233331654 777891638 /nfs/dbraw/zinc/89/16/38/777891638.db2.gz FMQNOWSZJSYNJN-UHFFFAOYSA-N -1 1 275.245 2.902 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cccnc2C1 ZINC001233331554 777891704 /nfs/dbraw/zinc/89/17/04/777891704.db2.gz BCLJTFSGKLCCRC-UHFFFAOYSA-N -1 1 262.259 2.581 20 10 CFCDMM CN(Cc1cccnc1)Cc1c([O-])ccc(F)c1F ZINC001233332125 777891721 /nfs/dbraw/zinc/89/17/21/777891721.db2.gz ZNMKFODGYZRFJW-UHFFFAOYSA-N -1 1 264.275 2.697 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2ccncc2C1 ZINC001233335440 777892285 /nfs/dbraw/zinc/89/22/85/777892285.db2.gz VHJGOGAVSHRWPF-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2ncccc2C1 ZINC001233334818 777894613 /nfs/dbraw/zinc/89/46/13/777894613.db2.gz VAWRNYAVSVDEOD-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM CN(CC(=O)c1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233336115 777897363 /nfs/dbraw/zinc/89/73/63/777897363.db2.gz ZEXZSWXVMWMEMH-UHFFFAOYSA-N -1 1 291.297 2.985 20 10 CFCDMM Cn1ncc2c1CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418409 777943320 /nfs/dbraw/zinc/94/33/20/777943320.db2.gz GFOMHUKVMIYWHE-UHFFFAOYSA-N -1 1 297.280 2.660 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@H](CC)OC ZINC001233496546 777969369 /nfs/dbraw/zinc/96/93/69/777969369.db2.gz WCWFIUZHCNYWGH-JTQLQIEISA-N -1 1 282.336 2.884 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2ccsc2)c(C)cc1O ZINC000714378609 778010117 /nfs/dbraw/zinc/01/01/17/778010117.db2.gz STGZMAIJBBKIQG-UHFFFAOYSA-N -1 1 283.374 2.871 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001234474034 778233312 /nfs/dbraw/zinc/23/33/12/778233312.db2.gz NBOVOSNGTPMXLT-IMSIIYSGSA-N -1 1 262.305 2.868 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001234474017 778233997 /nfs/dbraw/zinc/23/39/97/778233997.db2.gz MYMCYMPQCREDIV-RBZYPMLTSA-N -1 1 260.289 2.644 20 10 CFCDMM C[C@@H]1CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057770 778368681 /nfs/dbraw/zinc/36/86/81/778368681.db2.gz SQCKETVIAYUYSS-SSDOTTSWSA-N -1 1 274.133 2.888 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@](F)(CO)C1 ZINC001237078411 779006281 /nfs/dbraw/zinc/00/62/81/779006281.db2.gz SGEHMRNRADMLNB-GFCCVEGCSA-N -1 1 294.153 2.605 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H](C)O1 ZINC001237946395 779213053 /nfs/dbraw/zinc/21/30/53/779213053.db2.gz KZWQEBGEIPACQV-RKDXNWHRSA-N -1 1 273.735 2.794 20 10 CFCDMM C[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](C)O1 ZINC001237946393 779213108 /nfs/dbraw/zinc/21/31/08/779213108.db2.gz KZWQEBGEIPACQV-IUCAKERBSA-N -1 1 273.735 2.794 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCCOCC1 ZINC000134183483 377991072 /nfs/dbraw/zinc/99/10/72/377991072.db2.gz WWNYUDWEROECNC-UHFFFAOYSA-N -1 1 276.163 2.921 20 10 CFCDMM COc1ccc(C[N@@H+](C)Cc2cc(F)ccc2O)cc1O ZINC000179974035 380605708 /nfs/dbraw/zinc/60/57/08/380605708.db2.gz DVTMPSUWYFXNIV-UHFFFAOYSA-N -1 1 291.322 2.878 20 10 CFCDMM CCC[N@@H+](Cc1ccn(C)n1)Cc1ccccc1O ZINC000271207909 385375961 /nfs/dbraw/zinc/37/59/61/385375961.db2.gz SWKSHGWCAFWDJR-UHFFFAOYSA-N -1 1 259.353 2.538 20 10 CFCDMM O=C(CCC1CC1)NCc1cccc(Br)c1[O-] ZINC000277646851 526396636 /nfs/dbraw/zinc/39/66/36/526396636.db2.gz YMPKHUZXIHZKFT-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM O=C(NC1CCC2(CC2)CC1)c1c(F)ccc(O)c1[O-] ZINC000296776057 527503698 /nfs/dbraw/zinc/50/36/98/527503698.db2.gz PXVRSLVPJNECDZ-UHFFFAOYSA-N -1 1 279.311 2.690 20 10 CFCDMM O=C(NC1CCCCCC1)c1c([O-])c(O)ccc1F ZINC000276759515 527518850 /nfs/dbraw/zinc/51/88/50/527518850.db2.gz WYURPQAEQXUCGC-UHFFFAOYSA-N -1 1 267.300 2.690 20 10 CFCDMM O=C([O-])N1CCCC[C@@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000740515201 574252991 /nfs/dbraw/zinc/25/29/91/574252991.db2.gz FISKSQSIHZHWDF-SNVBAGLBSA-N -1 1 298.770 2.668 20 10 CFCDMM O=C([O-])C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128816545 598151135 /nfs/dbraw/zinc/15/11/35/598151135.db2.gz RESTXYDRPSBQGF-JTQLQIEISA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128816545 598151136 /nfs/dbraw/zinc/15/11/36/598151136.db2.gz RESTXYDRPSBQGF-JTQLQIEISA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])c1ccnc(NCCCSc2nccs2)c1 ZINC000821552721 598220206 /nfs/dbraw/zinc/22/02/06/598220206.db2.gz FMDXFDGAKHNQNY-UHFFFAOYSA-N -1 1 295.389 2.831 20 10 CFCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(F)c1[O-] ZINC000833496620 605242491 /nfs/dbraw/zinc/24/24/91/605242491.db2.gz GJUUVFMTWZSOKG-UHFFFAOYSA-N -1 1 289.734 2.870 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(CCF)CC1 ZINC000890759512 617837688 /nfs/dbraw/zinc/83/76/88/617837688.db2.gz LYSRXTDPSRLGRR-UHFFFAOYSA-N -1 1 271.719 2.802 20 10 CFCDMM O=C(CCC1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890760362 617838128 /nfs/dbraw/zinc/83/81/28/617838128.db2.gz PNINCQHPVCCUMC-UHFFFAOYSA-N -1 1 297.782 2.869 20 10 CFCDMM CC[C@@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759991 617838335 /nfs/dbraw/zinc/83/83/35/617838335.db2.gz YCRGJVURIIORFP-ZYHUDNBSSA-N -1 1 297.782 2.867 20 10 CFCDMM COCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890761176 617838527 /nfs/dbraw/zinc/83/85/27/617838527.db2.gz MVLXPJFEKPCIIH-UHFFFAOYSA-N -1 1 297.782 2.869 20 10 CFCDMM CO[C@@H](CC(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760889 617838988 /nfs/dbraw/zinc/83/89/88/617838988.db2.gz CYYRWIIWSUQTDV-LBPRGKRZSA-N -1 1 285.771 2.723 20 10 CFCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])n1cccn1 ZINC000890761507 617840967 /nfs/dbraw/zinc/84/09/67/617840967.db2.gz UHYGHEGWKFLZLX-SNVBAGLBSA-N -1 1 293.754 2.510 20 10 CFCDMM C[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000890761499 617841003 /nfs/dbraw/zinc/84/10/03/617841003.db2.gz UCNCBRCGEAWXMX-LLVKDONJSA-N -1 1 275.682 2.707 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1CCCc2n[nH]cc21 ZINC000811497448 617631475 /nfs/dbraw/zinc/63/14/75/617631475.db2.gz NJTSXFDLUUUFRQ-UHFFFAOYSA-N -1 1 281.718 2.861 20 10 CFCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])n1ccnc1 ZINC000890761429 617840000 /nfs/dbraw/zinc/84/00/00/617840000.db2.gz RJFMBSMKXKJHCC-SNVBAGLBSA-N -1 1 293.754 2.510 20 10 CFCDMM Cc1nc(SCC(=O)c2ccc([O-])c(O)c2)oc1C ZINC000047558396 618065511 /nfs/dbraw/zinc/06/55/11/618065511.db2.gz MOVSXLNENBJFDQ-UHFFFAOYSA-N -1 1 279.317 2.678 20 10 CFCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)[C@@H](C)C[N@@H+]1C ZINC000775984938 618402066 /nfs/dbraw/zinc/40/20/66/618402066.db2.gz ILORRTKTMIUPLR-ZJUUUORDSA-N -1 1 286.778 2.709 20 10 CFCDMM COc1ccc2oc(C=C3SC(=S)[N-]C3=O)cc2c1 ZINC000142569888 618426644 /nfs/dbraw/zinc/42/66/44/618426644.db2.gz KKFQZDKTIHJWRX-IZZDOVSWSA-N -1 1 291.353 2.930 20 10 CFCDMM CC1CC(NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893396890 618963372 /nfs/dbraw/zinc/96/33/72/618963372.db2.gz LDGVXMOQGAKLNK-UHFFFAOYSA-N -1 1 268.744 2.643 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1C[C@@H](CO)c2ccccc21 ZINC000894857668 619485674 /nfs/dbraw/zinc/48/56/74/619485674.db2.gz NDPHEVWXOHAYJG-NSHDSACASA-N -1 1 291.297 2.767 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NOCC1CCC1 ZINC000895896965 619631713 /nfs/dbraw/zinc/63/17/13/619631713.db2.gz JZJWSDGCGHKBBW-UHFFFAOYSA-N -1 1 284.743 2.577 20 10 CFCDMM CCC(F)(F)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895988582 619649371 /nfs/dbraw/zinc/64/93/71/619649371.db2.gz DLPCYGQCOWRLMU-UHFFFAOYSA-N -1 1 292.713 2.890 20 10 CFCDMM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])CCO1 ZINC000896583240 619766713 /nfs/dbraw/zinc/76/67/13/619766713.db2.gz DARPKZAHHUDCJO-SECBINFHSA-N -1 1 273.735 2.796 20 10 CFCDMM CC(C)n1cncc1C[NH2+]Cc1c(O)cccc1F ZINC000896637519 619780428 /nfs/dbraw/zinc/78/04/28/619780428.db2.gz JWELVECEZGUSQY-UHFFFAOYSA-N -1 1 263.316 2.599 20 10 CFCDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C(C)(C)C ZINC000825862561 623762600 /nfs/dbraw/zinc/76/26/00/623762600.db2.gz BPMYNDUYTXBAEF-QMMMGPOBSA-N -1 1 269.316 2.649 20 10 CFCDMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C[C@@H](C)C1 ZINC000826000962 623779770 /nfs/dbraw/zinc/77/97/70/623779770.db2.gz HRLJIAZKSFUCAL-MYJAWHEDSA-N -1 1 281.327 2.791 20 10 CFCDMM CC[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826028394 623784810 /nfs/dbraw/zinc/78/48/10/623784810.db2.gz ZDJNGVDZQOLJQB-UWVGGRQHSA-N -1 1 281.327 2.936 20 10 CFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCCCC1 ZINC000826062601 623788779 /nfs/dbraw/zinc/78/87/79/623788779.db2.gz BIYOJEITYJTWQV-SECBINFHSA-N -1 1 281.327 2.936 20 10 CFCDMM O=C(N[C@H]1CCCC(F)(F)C1)c1c([O-])c(O)ccc1F ZINC000827060216 623934038 /nfs/dbraw/zinc/93/40/38/623934038.db2.gz SQTJNFVKEYHQFR-ZETCQYMHSA-N -1 1 289.253 2.545 20 10 CFCDMM O=C(C=Cc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590345 624258319 /nfs/dbraw/zinc/25/83/19/624258319.db2.gz QRRLZLCPUMNVKA-RMKNXTFCSA-N -1 1 298.294 2.537 20 10 CFCDMM CC1(C)CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829888146 624577799 /nfs/dbraw/zinc/57/77/99/624577799.db2.gz XLAAWPNSGBESAN-VIFPVBQESA-N -1 1 281.327 2.936 20 10 CFCDMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(F)c1[O-] ZINC000839132234 626527990 /nfs/dbraw/zinc/52/79/90/626527990.db2.gz WIXPUOZWIKDSGP-PHIMTYICSA-N -1 1 283.730 2.881 20 10 CFCDMM CC(C)c1ncc(C=C2SC(=S)[N-]C2=O)s1 ZINC000758414230 626592990 /nfs/dbraw/zinc/59/29/90/626592990.db2.gz AOUFVNSKHTUBFB-CLTKARDFSA-N -1 1 270.404 2.755 20 10 CFCDMM C[C@H](CC(C)(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000839792547 626810783 /nfs/dbraw/zinc/81/07/83/626810783.db2.gz OFAKUXGNMCMCGI-MRVPVSSYSA-N -1 1 269.316 2.791 20 10 CFCDMM C[C@@H](CC(C)(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000839792548 626810911 /nfs/dbraw/zinc/81/09/11/626810911.db2.gz OFAKUXGNMCMCGI-QMMMGPOBSA-N -1 1 269.316 2.791 20 10 CFCDMM CC[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737272 627155652 /nfs/dbraw/zinc/15/56/52/627155652.db2.gz TVFZBTDPRWQZCE-QMMMGPOBSA-N -1 1 286.169 2.817 20 10 CFCDMM Cc1cccc2c1C(=O)N[C@@H](c1cccc(F)c1[O-])N2 ZINC000778520292 628312379 /nfs/dbraw/zinc/31/23/79/628312379.db2.gz SDRQLOFYSGDIKF-AWEZNQCLSA-N -1 1 272.279 2.694 20 10 CFCDMM CCC[C@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783321122 628700046 /nfs/dbraw/zinc/70/00/46/628700046.db2.gz DBSRWEKSKPUKNJ-JTQLQIEISA-N -1 1 280.320 2.650 20 10 CFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000783684591 628734492 /nfs/dbraw/zinc/73/44/92/628734492.db2.gz XEHKWVACWDQCOJ-VIFPVBQESA-N -1 1 280.320 2.506 20 10 CFCDMM C[C@@H]1CCC[C@@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784753445 628841323 /nfs/dbraw/zinc/84/13/23/628841323.db2.gz HLYCNMGRPNLVCN-GHMZBOCLSA-N -1 1 292.331 2.650 20 10 CFCDMM C=Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000785622298 628899356 /nfs/dbraw/zinc/89/93/56/628899356.db2.gz UJEFGFQRFFEOMQ-UHFFFAOYSA-N -1 1 298.294 2.781 20 10 CFCDMM CC1(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCC1 ZINC000808621949 631019516 /nfs/dbraw/zinc/01/95/16/631019516.db2.gz LUPNJXDCPVPYFM-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816479960 632467340 /nfs/dbraw/zinc/46/73/40/632467340.db2.gz ZJMYVDQSIMNLBE-UHFFFAOYSA-N -1 1 294.713 2.896 20 10 CFCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000816646991 632502143 /nfs/dbraw/zinc/50/21/43/632502143.db2.gz LZLNUDMNPGCOBT-SFYZADRCSA-N -1 1 270.716 2.794 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC12CC2 ZINC000817597324 632673857 /nfs/dbraw/zinc/67/38/57/632673857.db2.gz VNHOHCSKUGOMSZ-SECBINFHSA-N -1 1 296.164 2.571 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631036 632885358 /nfs/dbraw/zinc/88/53/58/632885358.db2.gz AIRJIBNMBZJJHQ-CABZTGNLSA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1CO ZINC000857060503 635920856 /nfs/dbraw/zinc/92/08/56/635920856.db2.gz AMMZXLYXGIMRNT-UWVGGRQHSA-N -1 1 287.762 2.635 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CC2(CC2(F)F)C1 ZINC000848922123 633404005 /nfs/dbraw/zinc/40/40/05/633404005.db2.gz MLLRULAFOKJVKB-UHFFFAOYSA-N -1 1 259.683 2.887 20 10 CFCDMM O=C(NCc1cc(Cl)ccc1O)c1cc(F)ccc1[O-] ZINC000857548147 635983248 /nfs/dbraw/zinc/98/32/48/635983248.db2.gz FYDSUBZJRYOJKE-UHFFFAOYSA-N -1 1 295.697 2.820 20 10 CFCDMM Cc1ccc(F)c(C=C2SC(=S)[N-]C2=O)c1 ZINC000116608784 636509488 /nfs/dbraw/zinc/50/94/88/636509488.db2.gz GYSCHFFGNUZYSE-UITAMQMPSA-N -1 1 253.323 2.623 20 10 CFCDMM [O-]c1cc(F)c(Cl)cc1CNc1cnn(CCF)c1 ZINC000862483360 637399332 /nfs/dbraw/zinc/39/93/32/637399332.db2.gz LBAGFKCDZLTGEA-UHFFFAOYSA-N -1 1 287.697 2.963 20 10 CFCDMM Cc1cc(CNCc2cccc(Cl)c2[O-])no1 ZINC000124737994 642308955 /nfs/dbraw/zinc/30/89/55/642308955.db2.gz GITUDZRLGBUAGE-UHFFFAOYSA-N -1 1 252.701 2.632 20 10 CFCDMM O=C1N[C@@H](c2cccc(F)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859968 643609732 /nfs/dbraw/zinc/60/97/32/643609732.db2.gz WKDOZRCZLYPADE-ZDUSSCGKSA-N -1 1 294.232 2.664 20 10 CFCDMM O=C(NCCC[C@H]1C=CCC1)c1c(F)ccc(O)c1[O-] ZINC000881457847 644978732 /nfs/dbraw/zinc/97/87/32/644978732.db2.gz QPXGEIWDKOQYPV-JTQLQIEISA-N -1 1 279.311 2.713 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CCCCO2)c1 ZINC001236664998 778906370 /nfs/dbraw/zinc/90/63/70/778906370.db2.gz ZSCBDPXPXSGIIT-UHFFFAOYSA-N -1 1 286.169 2.991 20 10 CFCDMM O=C1N[C@H](c2cccc(Cl)c2[O-])Nc2ccccc21 ZINC000124677237 776215022 /nfs/dbraw/zinc/21/50/22/776215022.db2.gz OQIHRGOIEGYXCE-CYBMUJFWSA-N -1 1 274.707 2.900 20 10 CFCDMM CC(C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580588 776233279 /nfs/dbraw/zinc/23/32/79/776233279.db2.gz RNFDIAXGEFQNSG-UHFFFAOYSA-N -1 1 282.295 2.955 20 10 CFCDMM C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448543 777221814 /nfs/dbraw/zinc/22/18/14/777221814.db2.gz HQWKNFQITJMMRH-GHMZBOCLSA-N -1 1 263.337 2.853 20 10 CFCDMM C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448544 777221866 /nfs/dbraw/zinc/22/18/66/777221866.db2.gz HQWKNFQITJMMRH-PHIMTYICSA-N -1 1 263.337 2.853 20 10 CFCDMM C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448544 777221872 /nfs/dbraw/zinc/22/18/72/777221872.db2.gz HQWKNFQITJMMRH-PHIMTYICSA-N -1 1 263.337 2.853 20 10 CFCDMM CC(C)[C@H]1COCCN1Cc1cccc(Cl)c1[O-] ZINC001231912768 777380105 /nfs/dbraw/zinc/38/01/05/777380105.db2.gz YPOLHNIOUPWULQ-CYBMUJFWSA-N -1 1 269.772 2.902 20 10 CFCDMM [O-]c1cc(O)c(CN2Cc3cccnc3C2)cc1Cl ZINC001232261151 777496303 /nfs/dbraw/zinc/49/63/03/777496303.db2.gz WDFXKZPQVYHZSD-UHFFFAOYSA-N -1 1 276.723 2.662 20 10 CFCDMM C[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415981 777944606 /nfs/dbraw/zinc/94/46/06/777944606.db2.gz QVUVPOCHWZYARK-SECBINFHSA-N -1 1 275.270 2.632 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC(F)C1 ZINC001236794938 778941967 /nfs/dbraw/zinc/94/19/67/778941967.db2.gz WZVRXLSZRQDNDV-UHFFFAOYSA-N -1 1 250.100 2.853 20 10 CFCDMM COc1cc([O-])c(CN2CCC(F)(F)C2)c(Cl)c1 ZINC001236799632 778943761 /nfs/dbraw/zinc/94/37/61/778943761.db2.gz TYNJCUGLQUHPMH-UHFFFAOYSA-N -1 1 277.698 2.895 20 10 CFCDMM CCN(Cc1c([O-])ccc(Cl)c1Cl)C1COC1 ZINC001237084176 779009039 /nfs/dbraw/zinc/00/90/39/779009039.db2.gz HVLDQQKCDJLNHD-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM O=C1CCCN(Cc2c([O-])ccc(F)c2Cl)C[C@@H]1F ZINC001237120077 779018113 /nfs/dbraw/zinc/01/81/13/779018113.db2.gz ITANXBIWHLGGNN-JTQLQIEISA-N -1 1 289.709 2.688 20 10 CFCDMM O=C1CCCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237123116 779018489 /nfs/dbraw/zinc/01/84/89/779018489.db2.gz HJMKPHWLQYKUBY-UHFFFAOYSA-N -1 1 271.719 2.740 20 10 CFCDMM CN(Cc1cncnc1)Cc1cc(Cl)cc(F)c1[O-] ZINC001237624215 779147166 /nfs/dbraw/zinc/14/71/66/779147166.db2.gz PLANJZCJXSABJZ-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(Cl)c1[O-] ZINC001237800981 779181974 /nfs/dbraw/zinc/18/19/74/779181974.db2.gz PPOFXLQVVAKFFF-PHIMTYICSA-N -1 1 283.730 2.881 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237808054 779184691 /nfs/dbraw/zinc/18/46/91/779184691.db2.gz POXYXRXWAMJSKH-SECBINFHSA-N -1 1 273.735 2.796 20 10 CFCDMM CC1(C)COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237936822 779211009 /nfs/dbraw/zinc/21/10/09/779211009.db2.gz MSFBXHZEODKHJL-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237934654 779212188 /nfs/dbraw/zinc/21/21/88/779212188.db2.gz MDCCGDHBCADOSI-AOOOYVTPSA-N -1 1 271.719 2.548 20 10 CFCDMM Cc1cc(C(=O)[O-])ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001238146487 779261815 /nfs/dbraw/zinc/26/18/15/779261815.db2.gz XBDDVEDPVAPAQP-UHFFFAOYSA-N -1 1 297.354 2.957 20 10 CFCDMM Cn1ncc2c1CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236795204 779638933 /nfs/dbraw/zinc/63/89/33/779638933.db2.gz BSCQIASVUSWVEK-UHFFFAOYSA-N -1 1 298.173 2.948 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000090906650 375034893 /nfs/dbraw/zinc/03/48/93/375034893.db2.gz KDYCILQQUVGWCB-BETUJISGSA-N -1 1 295.766 2.611 20 10 CFCDMM [O-]c1c(F)cccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529665071 383744179 /nfs/dbraw/zinc/74/41/79/383744179.db2.gz JQLYOBAMIQTCQU-UHFFFAOYSA-N -1 1 299.349 2.757 20 10 CFCDMM CC[C@H](C)CN(CC)C(=O)c1c([O-])c(O)ccc1F ZINC000295350094 380803845 /nfs/dbraw/zinc/80/38/45/380803845.db2.gz QICGJNDXQGVPSB-VIFPVBQESA-N -1 1 269.316 2.745 20 10 CFCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1cncc([O-])c1 ZINC000355463123 381772771 /nfs/dbraw/zinc/77/27/71/381772771.db2.gz CTOVVHCIAKPBAK-UHFFFAOYSA-N -1 1 295.342 2.517 20 10 CFCDMM CC[C@@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294861239 382534274 /nfs/dbraw/zinc/53/42/74/382534274.db2.gz GZGQVTYVOXOISC-HNNXBMFYSA-N -1 1 281.327 2.889 20 10 CFCDMM Cc1csc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000273432163 385683415 /nfs/dbraw/zinc/68/34/15/385683415.db2.gz VWJYVFPOOAMMGK-VIFPVBQESA-N -1 1 293.348 2.916 20 10 CFCDMM C[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627508 524208765 /nfs/dbraw/zinc/20/87/65/524208765.db2.gz SBRKVQAWAKWQJN-IUCAKERBSA-N -1 1 267.300 2.545 20 10 CFCDMM CS[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647275 525830876 /nfs/dbraw/zinc/83/08/76/525830876.db2.gz VZRIMCDWNQDUET-RKDXNWHRSA-N -1 1 299.367 2.641 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000277436635 526710163 /nfs/dbraw/zinc/71/01/63/526710163.db2.gz FBFXKUMEPGWGHW-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM Cc1c(N[C@@H](C)c2cc(F)cc(F)c2[O-])cnn1C ZINC000756875220 574133136 /nfs/dbraw/zinc/13/31/36/574133136.db2.gz ULVBHUFLQSXJQA-ZETCQYMHSA-N -1 1 267.279 2.885 20 10 CFCDMM O=C([O-])N1CC[C@H](CC[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000740498437 574251445 /nfs/dbraw/zinc/25/14/45/574251445.db2.gz BXDQFJUXZYMXOW-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1nccc2ccccc21 ZINC000740764556 574266660 /nfs/dbraw/zinc/26/66/60/574266660.db2.gz YJVCFCFZJIPMAG-YRNVUSSQSA-N -1 1 272.354 2.724 20 10 CFCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000743259580 574355825 /nfs/dbraw/zinc/35/58/25/574355825.db2.gz FFWIKUDJZYYEAN-UHFFFAOYSA-N -1 1 293.344 2.510 20 10 CFCDMM O=C([O-])C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086756740 598151302 /nfs/dbraw/zinc/15/13/02/598151302.db2.gz WWKXVANNSGCAAE-SNVBAGLBSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000086756740 598151303 /nfs/dbraw/zinc/15/13/03/598151303.db2.gz WWKXVANNSGCAAE-SNVBAGLBSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000050508786 598219612 /nfs/dbraw/zinc/21/96/12/598219612.db2.gz ZILZIXOMPBIMKY-AWEZNQCLSA-N -1 1 291.734 2.961 20 10 CFCDMM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086726728 604528281 /nfs/dbraw/zinc/52/82/81/604528281.db2.gz YSLQDXNZLVDZTD-JTQLQIEISA-N -1 1 290.146 2.748 20 10 CFCDMM O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086726728 604528286 /nfs/dbraw/zinc/52/82/86/604528286.db2.gz YSLQDXNZLVDZTD-JTQLQIEISA-N -1 1 290.146 2.748 20 10 CFCDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000834215828 605990397 /nfs/dbraw/zinc/99/03/97/605990397.db2.gz ORCQGYOVHAMYRS-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc(C2CC2)n1 ZINC000890759487 617837053 /nfs/dbraw/zinc/83/70/53/617837053.db2.gz LIVICSRLCDHVGI-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCSC1 ZINC000890759356 617837438 /nfs/dbraw/zinc/83/74/38/617837438.db2.gz KCFSBOMHXGOIOM-SNVBAGLBSA-N -1 1 285.796 2.805 20 10 CFCDMM CC1(C)CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759263 617837446 /nfs/dbraw/zinc/83/74/46/617837446.db2.gz IWLOFQYMJFOWMW-LLVKDONJSA-N -1 1 283.755 2.619 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC=CC1 ZINC000890759637 617837527 /nfs/dbraw/zinc/83/75/27/617837527.db2.gz FPXXUSNORYBOAE-UHFFFAOYSA-N -1 1 251.713 2.628 20 10 CFCDMM CC1(C)CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759264 617837606 /nfs/dbraw/zinc/83/76/06/617837606.db2.gz IWLOFQYMJFOWMW-NSHDSACASA-N -1 1 283.755 2.619 20 10 CFCDMM O=C(COCC1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890760859 617838299 /nfs/dbraw/zinc/83/82/99/617838299.db2.gz BJJWQUTWVRMVFN-UHFFFAOYSA-N -1 1 297.782 2.869 20 10 CFCDMM CCC(C)(C)C(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760856 617838718 /nfs/dbraw/zinc/83/87/18/617838718.db2.gz BFBLLIGOOCDXBC-UHFFFAOYSA-N -1 1 283.755 2.667 20 10 CFCDMM COCCC[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760754 617838919 /nfs/dbraw/zinc/83/89/19/617838919.db2.gz YNUJNXODDVKMFD-SNVBAGLBSA-N -1 1 285.771 2.725 20 10 CFCDMM O=C(COC1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890758301 617835850 /nfs/dbraw/zinc/83/58/50/617835850.db2.gz VBBNWDWLSLINDH-UHFFFAOYSA-N -1 1 283.755 2.621 20 10 CFCDMM CCC[C@H](OCC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761095 617840500 /nfs/dbraw/zinc/84/05/00/617840500.db2.gz KNNYWWKVULWRFW-LBPRGKRZSA-N -1 1 285.771 2.867 20 10 CFCDMM C[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CC1(F)F ZINC000890761500 617840848 /nfs/dbraw/zinc/84/08/48/617840848.db2.gz UCNCBRCGEAWXMX-NSHDSACASA-N -1 1 275.682 2.707 20 10 CFCDMM CC1(C)CO[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890763683 617843760 /nfs/dbraw/zinc/84/37/60/617843760.db2.gz ZWOWIHZTRSAQBA-NSHDSACASA-N -1 1 297.782 2.867 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cc[nH]n1 ZINC000041014264 618003444 /nfs/dbraw/zinc/00/34/44/618003444.db2.gz LYLFTRWPQYLGQR-UHFFFAOYSA-N -1 1 272.135 2.712 20 10 CFCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000892306495 618103498 /nfs/dbraw/zinc/10/34/98/618103498.db2.gz VSPHNVUKGRLPFC-SECBINFHSA-N -1 1 282.771 2.891 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1c2ccccc2C[C@@H]1CO ZINC000895241530 618493854 /nfs/dbraw/zinc/49/38/54/618493854.db2.gz MFXZSPQZKIYASN-CYBMUJFWSA-N -1 1 291.297 2.594 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)c2cccnc12 ZINC000164607276 618690496 /nfs/dbraw/zinc/69/04/96/618690496.db2.gz MBMQABQTUPKVJV-UXBLZVDNSA-N -1 1 290.344 2.863 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1nc2ccccn2n1 ZINC000195013527 618944417 /nfs/dbraw/zinc/94/44/17/618944417.db2.gz UXVZABBYRDXCGC-UHFFFAOYSA-N -1 1 292.701 2.840 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000895742056 619594456 /nfs/dbraw/zinc/59/44/56/619594456.db2.gz VVBPKHUSZJESHN-UHFFFAOYSA-N -1 1 297.717 2.593 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1CC=CC1 ZINC000895960713 619641973 /nfs/dbraw/zinc/64/19/73/619641973.db2.gz HNJGSHKURBCOJC-UHFFFAOYSA-N -1 1 280.755 2.811 20 10 CFCDMM COc1cnc(C=Cc2ccc(N(C)C)cc2C)[n-]c1=O ZINC000905077636 621689483 /nfs/dbraw/zinc/68/94/83/621689483.db2.gz ZMEBYPLDFDFIOB-SOFGYWHQSA-N -1 1 285.347 2.736 20 10 CFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000174728648 623544109 /nfs/dbraw/zinc/54/41/09/623544109.db2.gz UNIMLURXKWXGBH-UHFFFAOYSA-N -1 1 295.335 2.949 20 10 CFCDMM COC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC000825634208 623727401 /nfs/dbraw/zinc/72/74/01/623727401.db2.gz JPIQMMOVNXQEPB-YPMHNXCESA-N -1 1 299.798 2.590 20 10 CFCDMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3c([O-])c(O)ccc3F)C2)C1 ZINC000828183767 624194895 /nfs/dbraw/zinc/19/48/95/624194895.db2.gz HLCUTLDLEBEQCR-QLJPJBMISA-N -1 1 293.338 2.889 20 10 CFCDMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C ZINC000828399203 624238006 /nfs/dbraw/zinc/23/80/06/624238006.db2.gz MWZHMMMCVNTGIJ-OPRDCNLKSA-N -1 1 281.327 2.791 20 10 CFCDMM O=C(C=Cc1ccccc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590346 624258238 /nfs/dbraw/zinc/25/82/38/624258238.db2.gz QRRLZLCPUMNVKA-TWGQIWQCSA-N -1 1 298.294 2.537 20 10 CFCDMM CC[C@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)F ZINC000834826996 625888451 /nfs/dbraw/zinc/88/84/51/625888451.db2.gz HCCDGVSVPPACHL-KWQFWETISA-N -1 1 287.306 2.873 20 10 CFCDMM Cc1nccc(NCc2cccc(Br)c2[O-])n1 ZINC000764935552 627107767 /nfs/dbraw/zinc/10/77/67/627107767.db2.gz WQEMREABZDRCAJ-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(CCO)nc1 ZINC000809780362 631287576 /nfs/dbraw/zinc/28/75/76/631287576.db2.gz VVGJEZMKXKPCRJ-UHFFFAOYSA-N -1 1 296.729 2.727 20 10 CFCDMM O=[N+]([O-])c1ccc([O-])c(CNc2cc3c(cn2)CCC3)c1 ZINC000815159623 632220085 /nfs/dbraw/zinc/22/00/85/632220085.db2.gz WPFDSWHJZJFDDO-UHFFFAOYSA-N -1 1 285.303 2.796 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](C2CCC2)C1 ZINC000857332848 635967136 /nfs/dbraw/zinc/96/71/36/635967136.db2.gz IVXZHQIHZBLGGV-NSHDSACASA-N -1 1 293.338 2.889 20 10 CFCDMM C[C@@H](CC1CCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000881369641 644963210 /nfs/dbraw/zinc/96/32/10/644963210.db2.gz KDAJINNGFDXGMS-QMMMGPOBSA-N -1 1 267.300 2.545 20 10 CFCDMM Cc1[nH]nc(NCc2cc(F)cc(F)c2[O-])c1C ZINC000886197897 646916573 /nfs/dbraw/zinc/91/65/73/646916573.db2.gz PSQTZVQBGUXPPL-UHFFFAOYSA-N -1 1 253.252 2.622 20 10 CFCDMM O=C(C[C@@H]1CC=CCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924245354 647947661 /nfs/dbraw/zinc/94/76/61/647947661.db2.gz FNYOZLFRECSISS-LLVKDONJSA-N -1 1 290.315 2.570 20 10 CFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000931785770 649489139 /nfs/dbraw/zinc/48/91/39/649489139.db2.gz INFDEBKKZXSMBS-LURJTMIESA-N -1 1 296.676 2.796 20 10 CFCDMM Cc1ccc(O)c(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC001167293932 770227088 /nfs/dbraw/zinc/22/70/88/770227088.db2.gz VKBBVJWQNJCBQI-UHFFFAOYSA-N -1 1 291.734 2.990 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1C ZINC001231452678 777222873 /nfs/dbraw/zinc/22/28/73/777222873.db2.gz RJFYPWQGLMCTMY-GHMZBOCLSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])[C@@H]1C ZINC001231452678 777222877 /nfs/dbraw/zinc/22/28/77/777222877.db2.gz RJFYPWQGLMCTMY-GHMZBOCLSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451986 777223060 /nfs/dbraw/zinc/22/30/60/777223060.db2.gz AAQSKTHRPDLRJF-WDEREUQCSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451986 777223067 /nfs/dbraw/zinc/22/30/67/777223067.db2.gz AAQSKTHRPDLRJF-WDEREUQCSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1cc(O)c(CN2CC(F)(C3CC3)C2)cc1Cl ZINC001232259014 777496775 /nfs/dbraw/zinc/49/67/75/777496775.db2.gz GYYDIUZMTSSALW-UHFFFAOYSA-N -1 1 271.719 2.685 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2c(O)cccc2C1 ZINC001233332560 777888839 /nfs/dbraw/zinc/88/88/39/777888839.db2.gz PEOSVGLADFBOPY-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM [O-]c1c(CN2C[C@@H](F)[C@H](F)C2)cccc1C(F)(F)F ZINC001233415895 777942697 /nfs/dbraw/zinc/94/26/97/777942697.db2.gz MXDBPNUGIFQYEY-NXEZZACHSA-N -1 1 281.224 2.903 20 10 CFCDMM CCCCOC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473415 778233824 /nfs/dbraw/zinc/23/38/24/778233824.db2.gz GPDDAPOTDNIGDK-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM COC1=CC[C@@H](Oc2cc([O-])c(O)cc2C(C)=O)CC1 ZINC001234475350 778234113 /nfs/dbraw/zinc/23/41/13/778234113.db2.gz FYGAEZJQRDFCLV-LLVKDONJSA-N -1 1 278.304 2.762 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001142509064 778395621 /nfs/dbraw/zinc/39/56/21/778395621.db2.gz WAMRSVJYPKTAKA-IUCAKERBSA-N -1 1 263.234 2.552 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCc2cccnc2C1 ZINC001142527244 778401879 /nfs/dbraw/zinc/40/18/79/778401879.db2.gz PQSVBEGQYCDJOV-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM CO[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236794634 778938873 /nfs/dbraw/zinc/93/88/73/778938873.db2.gz TVJJMPPYNIIRPX-CMPLNLGQSA-N -1 1 294.153 2.868 20 10 CFCDMM CO[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236794638 778938978 /nfs/dbraw/zinc/93/89/78/778938978.db2.gz TVJJMPPYNIIRPX-JQWIXIFHSA-N -1 1 294.153 2.868 20 10 CFCDMM COc1ccc(CN2C[C@H](F)C[C@H]2C)c([O-])c1Cl ZINC001236800529 778943589 /nfs/dbraw/zinc/94/35/89/778943589.db2.gz AASXHZSDQACXIF-PSASIEDQSA-N -1 1 273.735 2.987 20 10 CFCDMM COc1cc([O-])c(CN2Cc3cccnc3C2)c(Cl)c1 ZINC001236799633 778943829 /nfs/dbraw/zinc/94/38/29/778943829.db2.gz TZQZAMGVMUXMKC-UHFFFAOYSA-N -1 1 290.750 2.965 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237131947 779023050 /nfs/dbraw/zinc/02/30/50/779023050.db2.gz YSBIGAAXGMBDQU-CQSZACIVSA-N -1 1 285.746 2.940 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOC[C@@H]1C1CC1 ZINC001237940343 779211550 /nfs/dbraw/zinc/21/15/50/779211550.db2.gz JQUTTXHSZJFGGJ-CYBMUJFWSA-N -1 1 285.746 2.796 20 10 CFCDMM CC[C@@H]1COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237949447 779214904 /nfs/dbraw/zinc/21/49/04/779214904.db2.gz LZCDBRLGYDIOHP-SNVBAGLBSA-N -1 1 273.735 2.796 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000124561486 377062335 /nfs/dbraw/zinc/06/23/35/377062335.db2.gz RVBGKHPLQYXVPZ-STQMWFEESA-N -1 1 267.756 2.799 20 10 CFCDMM CC(=O)c1cc(F)cc(C[N@H+](C)CCCOC(C)C)c1O ZINC000267460333 384395788 /nfs/dbraw/zinc/39/57/88/384395788.db2.gz RLJVCCYVTNHOCD-UHFFFAOYSA-N -1 1 297.370 2.981 20 10 CFCDMM C[C@]1(O)CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000369557023 267250095 /nfs/dbraw/zinc/25/00/95/267250095.db2.gz RIBREJBKCVGONC-AWEZNQCLSA-N -1 1 287.762 2.922 20 10 CFCDMM CC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277604021 518585658 /nfs/dbraw/zinc/58/56/58/518585658.db2.gz UNVVBBHZPOJEPC-UHFFFAOYSA-N -1 1 286.169 2.817 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2cn[nH]c2)c1[O-] ZINC000754660719 574111367 /nfs/dbraw/zinc/11/13/67/574111367.db2.gz UFWOAWDDEIQISK-UHFFFAOYSA-N -1 1 293.754 2.603 20 10 CFCDMM CCc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)s1 ZINC000731158911 574112030 /nfs/dbraw/zinc/11/20/30/574112030.db2.gz LLUNCOPCMVTBJA-GXDHUFHOSA-N -1 1 298.367 2.772 20 10 CFCDMM O=C(NCc1ccccc1O)c1c([O-])cccc1Cl ZINC000748346586 574247809 /nfs/dbraw/zinc/24/78/09/574247809.db2.gz NVZVQKCPNUGNPF-UHFFFAOYSA-N -1 1 277.707 2.681 20 10 CFCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765747087 627155934 /nfs/dbraw/zinc/15/59/34/627155934.db2.gz LDKZOPPSUWXMSE-MRVPVSSYSA-N -1 1 298.180 2.817 20 10 CFCDMM C[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCC1=O ZINC000890760396 617838677 /nfs/dbraw/zinc/83/86/77/617838677.db2.gz QSSYECHSDPPMKP-UWVGGRQHSA-N -1 1 295.766 2.667 20 10 CFCDMM CC(C)n1cc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890760042 617836045 /nfs/dbraw/zinc/83/60/45/617836045.db2.gz ZDMGAABPMUDMFF-UHFFFAOYSA-N -1 1 293.754 2.753 20 10 CFCDMM C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760320 617840115 /nfs/dbraw/zinc/84/01/15/617840115.db2.gz OJEFFMKDHJREQZ-BXKDBHETSA-N -1 1 295.766 2.667 20 10 CFCDMM CC[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761787 617840615 /nfs/dbraw/zinc/84/06/15/617840615.db2.gz YAQDYNNBKLMBSM-PSASIEDQSA-N -1 1 253.729 2.708 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCSCC2)c1[O-] ZINC000050133114 618075208 /nfs/dbraw/zinc/07/52/08/618075208.db2.gz MMZUVIZDHQSJQG-UHFFFAOYSA-N -1 1 285.796 2.797 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1C[C@H]1C1CC1 ZINC000895261167 618501568 /nfs/dbraw/zinc/50/15/68/618501568.db2.gz CPKQQQGQDWOWEW-RYUDHWBXSA-N -1 1 294.782 2.891 20 10 CFCDMM [O-]c1c(CN[C@@H](c2ncccn2)C2CC2)ccc(F)c1F ZINC000896596056 619771222 /nfs/dbraw/zinc/77/12/22/619771222.db2.gz BUSNCNGSVVRKTM-CYBMUJFWSA-N -1 1 291.301 2.701 20 10 CFCDMM Oc1cccc(F)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000896638668 619781170 /nfs/dbraw/zinc/78/11/70/619781170.db2.gz KIYDAQKUQKEOSZ-UHFFFAOYSA-N -1 1 289.354 2.818 20 10 CFCDMM CC(C)(CCNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000832919520 625537866 /nfs/dbraw/zinc/53/78/66/625537866.db2.gz CHKKQIREOWWPMZ-UHFFFAOYSA-N -1 1 281.327 2.793 20 10 CFCDMM COC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)O1 ZINC000825634205 623727225 /nfs/dbraw/zinc/72/72/25/623727225.db2.gz JPIQMMOVNXQEPB-WCQYABFASA-N -1 1 299.798 2.590 20 10 CFCDMM C[C@@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])c2ncnn21 ZINC000826888632 623903027 /nfs/dbraw/zinc/90/30/27/623903027.db2.gz JINLOJIBMNMAHD-HQJQHLMTSA-N -1 1 296.733 2.572 20 10 CFCDMM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086803478 626418277 /nfs/dbraw/zinc/41/82/77/626418277.db2.gz PTACRCCXKXPHTA-JTQLQIEISA-N -1 1 292.162 2.994 20 10 CFCDMM C/C=C/C=C\C(=O)NCc1cccc(Br)c1[O-] ZINC000765764039 627155922 /nfs/dbraw/zinc/15/59/22/627155922.db2.gz GBGBDDWTXSQHNI-HOJFPOIOSA-N -1 1 296.164 2.903 20 10 CFCDMM CN(Cc1cn[nH]c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775700413 628056749 /nfs/dbraw/zinc/05/67/49/628056749.db2.gz OHTLPOCDQCJDFL-UHFFFAOYSA-N -1 1 269.707 2.540 20 10 CFCDMM CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779023154 628345753 /nfs/dbraw/zinc/34/57/53/628345753.db2.gz OYKWKONNLKNULE-CYBMUJFWSA-N -1 1 295.354 2.837 20 10 CFCDMM CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784811132 628843692 /nfs/dbraw/zinc/84/36/92/628843692.db2.gz WYCREWMKLVEIMW-MEDUHNTESA-N -1 1 292.331 2.506 20 10 CFCDMM O=C(NC[C@@H]1CCC[C@H]1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000839807782 628869325 /nfs/dbraw/zinc/86/93/25/628869325.db2.gz UCNZRWJLZZFXTP-QWRGUYRKSA-N -1 1 293.338 2.793 20 10 CFCDMM Cc1c(CN(C)Cc2cc(Cl)cc(F)c2[O-])cnn1C ZINC000790938881 629272888 /nfs/dbraw/zinc/27/28/88/629272888.db2.gz OPFZWNDUMRHVOJ-UHFFFAOYSA-N -1 1 297.761 2.859 20 10 CFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000795352762 629765183 /nfs/dbraw/zinc/76/51/83/629765183.db2.gz JULBCVGPNZMYLN-UHFFFAOYSA-N -1 1 283.374 2.817 20 10 CFCDMM CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-] ZINC000852738096 634818720 /nfs/dbraw/zinc/81/87/20/634818720.db2.gz ZGIKXHLZPXQGTB-MRVPVSSYSA-N -1 1 299.754 2.543 20 10 CFCDMM CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)C(=O)[O-] ZINC000852738096 634818725 /nfs/dbraw/zinc/81/87/25/634818725.db2.gz ZGIKXHLZPXQGTB-MRVPVSSYSA-N -1 1 299.754 2.543 20 10 CFCDMM C[C@H]1CCC[C@@]1(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837928785 631152617 /nfs/dbraw/zinc/15/26/17/631152617.db2.gz JOAKGZMYPMKDBN-MGPLVRAMSA-N -1 1 292.331 2.650 20 10 CFCDMM CCn1ccc(CNCc2cc(Cl)cc(F)c2[O-])n1 ZINC000840955876 631282885 /nfs/dbraw/zinc/28/28/85/631282885.db2.gz ZGCQSIZZLJKJQO-UHFFFAOYSA-N -1 1 283.734 2.691 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C(=O)[O-] ZINC000843040927 631810582 /nfs/dbraw/zinc/81/05/82/631810582.db2.gz MDSJYOJGSGNODW-MWLCHTKSSA-N -1 1 283.755 2.588 20 10 CFCDMM CC[C@H]1CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179615 632025313 /nfs/dbraw/zinc/02/53/13/632025313.db2.gz WIUOVNMIKMROLB-JTQLQIEISA-N -1 1 270.716 2.938 20 10 CFCDMM C[C@H]1C[N@H+](Cc2cccc(Br)c2O)[C@H]1C ZINC000816649325 632503026 /nfs/dbraw/zinc/50/30/26/632503026.db2.gz XLFWGMQWTBPXKJ-IUCAKERBSA-N -1 1 270.170 2.995 20 10 CFCDMM CC(C)(CC[NH2+]Cc1c([O-])cccc1Cl)C(=O)[O-] ZINC000818629146 632882923 /nfs/dbraw/zinc/88/29/23/632882923.db2.gz STGILJZWLZFLJA-UHFFFAOYSA-N -1 1 271.744 2.636 20 10 CFCDMM CC(C)C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C(=O)[O-] ZINC000818630645 632884584 /nfs/dbraw/zinc/88/45/84/632884584.db2.gz UVUJKJFKXHASJG-JTQLQIEISA-N -1 1 285.771 2.882 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C(=O)[O-] ZINC000859815740 636706826 /nfs/dbraw/zinc/70/68/26/636706826.db2.gz RSFUSXRUSXMKCV-ONGXEEELSA-N -1 1 283.755 2.588 20 10 CFCDMM CC(C)c1c[nH]c(SCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000863365176 637643088 /nfs/dbraw/zinc/64/30/88/637643088.db2.gz AXRPVIGYFVQUQF-UHFFFAOYSA-N -1 1 292.360 2.919 20 10 CFCDMM C[C@H](NCc1nn(C)cc1Cl)c1c([O-])cccc1F ZINC000886618937 647071810 /nfs/dbraw/zinc/07/18/10/647071810.db2.gz OZEFSDWPARRGSX-QMMMGPOBSA-N -1 1 283.734 2.769 20 10 CFCDMM Cc1cccnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000692582807 775898213 /nfs/dbraw/zinc/89/82/13/775898213.db2.gz CCLHSLQOYAFEAP-UHFFFAOYSA-N -1 1 275.329 2.776 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231446405 777221315 /nfs/dbraw/zinc/22/13/15/777221315.db2.gz IPFOIKIKIJRSNP-NEPJUHHUSA-N -1 1 277.364 2.958 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C[C@@H]1C ZINC001231446405 777221325 /nfs/dbraw/zinc/22/13/25/777221325.db2.gz IPFOIKIKIJRSNP-NEPJUHHUSA-N -1 1 277.364 2.958 20 10 CFCDMM [O-]c1c(CN2CC(c3cccnc3)C2)ccc(F)c1F ZINC001233078170 777789407 /nfs/dbraw/zinc/78/94/07/777789407.db2.gz JQRZEHVGFQVUFG-UHFFFAOYSA-N -1 1 276.286 2.665 20 10 CFCDMM Cc1nc2c(s1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334778 777893607 /nfs/dbraw/zinc/89/36/07/777893607.db2.gz SSJTVJWDSXENEF-UHFFFAOYSA-N -1 1 296.342 2.994 20 10 CFCDMM Oc1ccc(F)c(F)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001233334398 777893991 /nfs/dbraw/zinc/89/39/91/777893991.db2.gz FDAOUPGAFPGZTJ-DKCNOQQISA-N -1 1 257.255 2.603 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001233335869 777895596 /nfs/dbraw/zinc/89/55/96/777895596.db2.gz PFJUGJHOIPLKNS-MRVPVSSYSA-N -1 1 289.322 2.700 20 10 CFCDMM Cc1cnc2c(c1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233336421 777897778 /nfs/dbraw/zinc/89/77/78/777897778.db2.gz KZHFPYWZDRUFTR-UHFFFAOYSA-N -1 1 290.313 2.932 20 10 CFCDMM O=C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233416126 777943045 /nfs/dbraw/zinc/94/30/45/777943045.db2.gz WWUKGNDWFQVKAM-UHFFFAOYSA-N -1 1 273.254 2.576 20 10 CFCDMM C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233416415 777944203 /nfs/dbraw/zinc/94/42/03/777944203.db2.gz HIBGUMSCENUDIK-SECBINFHSA-N -1 1 275.270 2.632 20 10 CFCDMM CC(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419728 777946092 /nfs/dbraw/zinc/94/60/92/777946092.db2.gz KFWWPSKEJPPXPO-LBPRGKRZSA-N -1 1 287.281 2.964 20 10 CFCDMM [O-]c1c(CN2CCOC3(CC3)C2)cccc1C(F)(F)F ZINC001233419255 777946261 /nfs/dbraw/zinc/94/62/61/777946261.db2.gz PWPAVIDSLMGKRG-UHFFFAOYSA-N -1 1 287.281 2.776 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC[C@H]1F ZINC001233495356 777969153 /nfs/dbraw/zinc/96/91/53/777969153.db2.gz FICCWSMBVLTQIW-QMTHXVAHSA-N -1 1 298.310 2.586 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1OCCOC1CCCC1 ZINC001234477043 778234457 /nfs/dbraw/zinc/23/44/57/778234457.db2.gz QRKMWJQKQQQASS-UHFFFAOYSA-N -1 1 280.320 2.638 20 10 CFCDMM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001142534415 778403861 /nfs/dbraw/zinc/40/38/61/778403861.db2.gz IONDTXUBUGIQBY-CYBMUJFWSA-N -1 1 291.301 2.798 20 10 CFCDMM C[C@@H]1CCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235298776 778448450 /nfs/dbraw/zinc/44/84/50/778448450.db2.gz TXQNDDXLWHRLDV-SSDOTTSWSA-N -1 1 274.133 2.888 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236792721 778939607 /nfs/dbraw/zinc/93/96/07/778939607.db2.gz HFDQZXBOIGROJT-AMIZOPFISA-N -1 1 290.190 2.902 20 10 CFCDMM COc1cc([O-])c(CN2CC(F)(C3CC3)C2)c(Cl)c1 ZINC001236798421 778943221 /nfs/dbraw/zinc/94/32/21/778943221.db2.gz ODVLHCNHXSGQJQ-UHFFFAOYSA-N -1 1 285.746 2.988 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H](F)C[C@H]1CO ZINC001237077414 779007371 /nfs/dbraw/zinc/00/73/71/779007371.db2.gz HMKNZVFHYLCKGV-SFYZADRCSA-N -1 1 294.153 2.604 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1F ZINC001237085235 779008606 /nfs/dbraw/zinc/00/86/06/779008606.db2.gz VUCIHJKKVWFYEF-SECBINFHSA-N -1 1 292.137 2.812 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CC2(C1)CCCO2 ZINC001237935690 779210925 /nfs/dbraw/zinc/21/09/25/779210925.db2.gz XMXMSMNPKTWMEP-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM CCc1nc(CNCc2ccc(F)c(F)c2[O-])cs1 ZINC000703341975 781008485 /nfs/dbraw/zinc/00/84/85/781008485.db2.gz SWPBUETXZLZWOT-UHFFFAOYSA-N -1 1 284.331 2.979 20 10 CFCDMM [O-]c1c(CN2CCC(F)(F)CC2)ccc(F)c1F ZINC000703519976 781018262 /nfs/dbraw/zinc/01/82/62/781018262.db2.gz XWMDGCONHVCNPQ-UHFFFAOYSA-N -1 1 263.234 2.902 20 10 CFCDMM O=C(N[C@H]1CC12CCCCC2)c1c(F)ccc(O)c1[O-] ZINC000297596318 381567729 /nfs/dbraw/zinc/56/77/29/381567729.db2.gz UOCFCZJQMQQLHU-NSHDSACASA-N -1 1 279.311 2.690 20 10 CFCDMM Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)no1 ZINC000373123000 381933275 /nfs/dbraw/zinc/93/32/75/381933275.db2.gz HLHXQRWFGQRSJP-LBPRGKRZSA-N -1 1 291.326 2.602 20 10 CFCDMM Cc1nc([C@H]2CCCCN2Cc2cccc(F)c2[O-])no1 ZINC000376163992 382123114 /nfs/dbraw/zinc/12/31/14/382123114.db2.gz DOBPQZABUDWLCZ-CYBMUJFWSA-N -1 1 291.326 2.950 20 10 CFCDMM O=C(NCCC1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000294941079 382544915 /nfs/dbraw/zinc/54/49/15/382544915.db2.gz VGWBKJMNBXJUAL-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM CN(C)C(=O)CN(C)Cc1cc(-c2ccccc2)ccc1O ZINC000271051361 385320712 /nfs/dbraw/zinc/32/07/12/385320712.db2.gz VUZABJHXDFLLGA-UHFFFAOYSA-N -1 1 298.386 2.579 20 10 CFCDMM Cc1csc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000273432161 293032260 /nfs/dbraw/zinc/03/22/60/293032260.db2.gz VWJYVFPOOAMMGK-SECBINFHSA-N -1 1 293.348 2.916 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC[C@@H]2C)c1[O-] ZINC000218350075 518278231 /nfs/dbraw/zinc/27/82/31/518278231.db2.gz VFBAMTPUIHBTBJ-VHSXEESVSA-N -1 1 297.782 2.857 20 10 CFCDMM COC(=O)[C@H](C)N(Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000191645511 523878192 /nfs/dbraw/zinc/87/81/92/523878192.db2.gz NMUUMHWBOIXTBX-JTQLQIEISA-N -1 1 297.782 2.962 20 10 CFCDMM CN(C)c1ccc(CN(C)Cc2cc(C(=O)[O-])co2)cc1 ZINC000737477379 574144395 /nfs/dbraw/zinc/14/43/95/574144395.db2.gz ROGZXMWRIRHBJR-UHFFFAOYSA-N -1 1 288.347 2.676 20 10 CFCDMM C[N@H+](CC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739631311 574241323 /nfs/dbraw/zinc/24/13/23/574241323.db2.gz AXAVDNFQSUYUAK-UHFFFAOYSA-N -1 1 289.331 2.534 20 10 CFCDMM C[N@@H+](CC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739631311 574241325 /nfs/dbraw/zinc/24/13/25/574241325.db2.gz AXAVDNFQSUYUAK-UHFFFAOYSA-N -1 1 289.331 2.534 20 10 CFCDMM O=C([O-])N1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000740512605 574252205 /nfs/dbraw/zinc/25/22/05/574252205.db2.gz OIHNWFWAJLPSAE-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM O=C(Nc1c([O-])cccc1F)C1=CC(=O)CS1 ZINC000743416101 574362987 /nfs/dbraw/zinc/36/29/87/574362987.db2.gz NWYMVPXMDQZBPH-UHFFFAOYSA-N -1 1 253.254 2.551 20 10 CFCDMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827833 605682050 /nfs/dbraw/zinc/68/20/50/605682050.db2.gz BCEGMNXVRYNVFQ-NXEZZACHSA-N -1 1 298.770 2.524 20 10 CFCDMM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827833 605682052 /nfs/dbraw/zinc/68/20/52/605682052.db2.gz BCEGMNXVRYNVFQ-NXEZZACHSA-N -1 1 298.770 2.524 20 10 CFCDMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000834215830 605990550 /nfs/dbraw/zinc/99/05/50/605990550.db2.gz ORCQGYOVHAMYRS-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM CS[C@@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759355 617837195 /nfs/dbraw/zinc/83/71/95/617837195.db2.gz AFVUQUBPVTWYBE-QMMMGPOBSA-N -1 1 273.785 2.803 20 10 CFCDMM CC[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759476 617837476 /nfs/dbraw/zinc/83/74/76/617837476.db2.gz CWERMZYAMVKSQJ-ZYHUDNBSSA-N -1 1 283.755 2.619 20 10 CFCDMM CC[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759990 617839220 /nfs/dbraw/zinc/83/92/20/617839220.db2.gz YCRGJVURIIORFP-PWSUYJOCSA-N -1 1 297.782 2.867 20 10 CFCDMM Cn1cc(NCc2cccc(Br)c2[O-])cn1 ZINC000042411926 620755409 /nfs/dbraw/zinc/75/54/09/620755409.db2.gz UZLYNBJLEZRPCX-UHFFFAOYSA-N -1 1 282.141 2.500 20 10 CFCDMM COC1(CC(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760033 617835546 /nfs/dbraw/zinc/83/55/46/617835546.db2.gz ZBRIWDXHOPDMPF-UHFFFAOYSA-N -1 1 283.755 2.621 20 10 CFCDMM C[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCCO1 ZINC000890761418 617839774 /nfs/dbraw/zinc/83/97/74/617839774.db2.gz REGDMWLILWQDDG-AWEZNQCLSA-N -1 1 283.755 2.621 20 10 CFCDMM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890762762 617842386 /nfs/dbraw/zinc/84/23/86/617842386.db2.gz HUZZZLUOHLEXIW-QTKMDUPCSA-N -1 1 279.767 2.954 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1CCC1 ZINC000892046053 617924222 /nfs/dbraw/zinc/92/42/22/617924222.db2.gz LNZRJNUESPASEC-UHFFFAOYSA-N -1 1 268.744 2.645 20 10 CFCDMM Cc1ccc(F)c(C=C2SC(=S)[N-]C2=O)c1 ZINC000255520766 618085640 /nfs/dbraw/zinc/08/56/40/618085640.db2.gz GYSCHFFGNUZYSE-WEVVVXLNSA-N -1 1 253.323 2.623 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1c2ccccc2C[C@@H]1CO ZINC000895241103 618492969 /nfs/dbraw/zinc/49/29/69/618492969.db2.gz BWDJLUXEIRUFET-CYBMUJFWSA-N -1 1 289.762 2.969 20 10 CFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCCC2)c1[O-] ZINC000199914712 618978130 /nfs/dbraw/zinc/97/81/30/618978130.db2.gz IPIGTZWSVCLGPW-UHFFFAOYSA-N -1 1 297.354 2.925 20 10 CFCDMM CCC[C@@H](C)S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908327292 622220138 /nfs/dbraw/zinc/22/01/38/622220138.db2.gz GTSMDRBEEMBPQA-SECBINFHSA-N -1 1 291.800 2.654 20 10 CFCDMM C[C@@H]1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000820938739 622799936 /nfs/dbraw/zinc/79/99/36/622799936.db2.gz DSBPUFZLFLOWKH-PWSUYJOCSA-N -1 1 292.331 2.650 20 10 CFCDMM CCN(CCC(F)(F)F)C(=O)c1c([O-])c(O)ccc1F ZINC000825658686 623732524 /nfs/dbraw/zinc/73/25/24/623732524.db2.gz MSMRPOXNACXRDB-UHFFFAOYSA-N -1 1 295.232 2.651 20 10 CFCDMM O=C(CCCF)NCc1cccc(Br)c1[O-] ZINC000834476042 625689816 /nfs/dbraw/zinc/68/98/16/625689816.db2.gz LPUYYDWVUMRQHA-UHFFFAOYSA-N -1 1 290.132 2.521 20 10 CFCDMM C[C@H]1CC[C@]2(CCN(C(=O)c3c([O-])c(O)ccc3F)C2)C1 ZINC000828183766 624195101 /nfs/dbraw/zinc/19/51/01/624195101.db2.gz HLCUTLDLEBEQCR-QFYYESIMSA-N -1 1 293.338 2.889 20 10 CFCDMM CC1(C2CC2)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000832214811 625244914 /nfs/dbraw/zinc/24/49/14/625244914.db2.gz LSUVXUNXFYBHSM-UHFFFAOYSA-N -1 1 293.338 2.889 20 10 CFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CCC1 ZINC000838156292 626487469 /nfs/dbraw/zinc/48/74/69/626487469.db2.gz DNGCLVSEMCXAGC-UHFFFAOYSA-N -1 1 292.331 2.650 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cnc(-c2ccco2)s1 ZINC000788101109 626492579 /nfs/dbraw/zinc/49/25/79/626492579.db2.gz ZWJCFXAPQTZRHR-XBXARRHUSA-N -1 1 294.382 2.892 20 10 CFCDMM COCC1=CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775995929 628092014 /nfs/dbraw/zinc/09/20/14/628092014.db2.gz PVQOQOACTRMRBU-UHFFFAOYSA-N -1 1 285.746 2.963 20 10 CFCDMM Cc1cccc2c1N[C@@H](c1cccc(F)c1[O-])NC2=O ZINC000778519592 628312052 /nfs/dbraw/zinc/31/20/52/628312052.db2.gz JCKHATCLGOFOCL-CQSZACIVSA-N -1 1 272.279 2.694 20 10 CFCDMM CC(C)CC(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784062841 628770663 /nfs/dbraw/zinc/77/06/63/628770663.db2.gz YDLZJRIWSHVSIL-UHFFFAOYSA-N -1 1 294.347 2.896 20 10 CFCDMM C[C@H](CC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784788206 628842245 /nfs/dbraw/zinc/84/22/45/628842245.db2.gz RDKWFEMDWIBVBS-SNVBAGLBSA-N -1 1 294.347 2.896 20 10 CFCDMM CN(Cc1ccccc1F)C(=O)c1c([O-])c(O)ccc1F ZINC000789958391 629199520 /nfs/dbraw/zinc/19/95/20/629199520.db2.gz DZNYOUJNHRUFFH-UHFFFAOYSA-N -1 1 293.269 2.648 20 10 CFCDMM CCCCC[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789954073 629199599 /nfs/dbraw/zinc/19/95/99/629199599.db2.gz BJFYSWFJWVAJBK-SECBINFHSA-N -1 1 269.316 2.936 20 10 CFCDMM Cc1ccc(CN(C)C(=O)c2c([O-])c(O)ccc2F)s1 ZINC000789970778 629200849 /nfs/dbraw/zinc/20/08/49/629200849.db2.gz IJJKAQOLQQQSIP-UHFFFAOYSA-N -1 1 295.335 2.879 20 10 CFCDMM CSc1ccc(C=C2SC(=S)[N-]C2=O)s1 ZINC000798232671 630169509 /nfs/dbraw/zinc/16/95/09/630169509.db2.gz ZODMRIZPHJBGBN-XQRVVYSFSA-N -1 1 273.429 2.959 20 10 CFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(C)c1OC ZINC000806553878 630809925 /nfs/dbraw/zinc/80/99/25/630809925.db2.gz BJTMRVOWCCYQEK-POHAHGRESA-N -1 1 295.385 2.501 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1c[nH]c(C(F)(F)F)c1 ZINC000806564622 630812754 /nfs/dbraw/zinc/81/27/54/630812754.db2.gz FAOJEEDKLDWPLO-KTAJNNJTSA-N -1 1 278.280 2.522 20 10 CFCDMM O=C1NCc2c1cccc2NCc1cccc(Cl)c1[O-] ZINC000809722257 631271597 /nfs/dbraw/zinc/27/15/97/631271597.db2.gz QUNDCVXHXPWCNX-UHFFFAOYSA-N -1 1 288.734 2.901 20 10 CFCDMM COc1cnc(NCc2c([O-])ccc(Cl)c2F)nc1 ZINC000811837334 631630303 /nfs/dbraw/zinc/63/03/03/631630303.db2.gz GBOGUFFHSIFEGA-UHFFFAOYSA-N -1 1 283.690 2.595 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](C2CCCC2)C1 ZINC000817766034 632709302 /nfs/dbraw/zinc/70/93/02/632709302.db2.gz LNAIVPDHILGYBU-LLVKDONJSA-N -1 1 293.338 2.889 20 10 CFCDMM CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(Cl)c1[O-] ZINC000854244077 635270760 /nfs/dbraw/zinc/27/07/60/635270760.db2.gz OPXWOPXOMROZRK-UHFFFAOYSA-N -1 1 285.771 2.978 20 10 CFCDMM O=C(NCCCC1CCC1)c1c(F)ccc(O)c1[O-] ZINC000857321994 635965457 /nfs/dbraw/zinc/96/54/57/635965457.db2.gz GFISOGCGJJBIFV-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877080645 643140609 /nfs/dbraw/zinc/14/06/09/643140609.db2.gz LJCBCFCADJEHLD-LLVKDONJSA-N -1 1 283.274 2.741 20 10 CFCDMM C[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571124 643370092 /nfs/dbraw/zinc/37/00/92/643370092.db2.gz WSFLWOCVTGOYSQ-LDYMZIIASA-N -1 1 279.290 2.663 20 10 CFCDMM C[C@H]1C[C@H](NCc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571123 643370321 /nfs/dbraw/zinc/37/03/21/643370321.db2.gz WSFLWOCVTGOYSQ-KWQFWETISA-N -1 1 279.290 2.663 20 10 CFCDMM C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452681 777223733 /nfs/dbraw/zinc/22/37/33/777223733.db2.gz RJFYPWQGLMCTMY-WDEREUQCSA-N -1 1 263.337 2.711 20 10 CFCDMM C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452681 777223739 /nfs/dbraw/zinc/22/37/39/777223739.db2.gz RJFYPWQGLMCTMY-WDEREUQCSA-N -1 1 263.337 2.711 20 10 CFCDMM [O-]c1cc(O)c(CN2CCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232260989 777496667 /nfs/dbraw/zinc/49/66/67/777496667.db2.gz UPZCWFOLUKLHGR-NSHDSACASA-N -1 1 295.688 2.930 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2ccncc2C1 ZINC001233334342 777894750 /nfs/dbraw/zinc/89/47/50/777894750.db2.gz CECGPSBZLCNAFJ-UHFFFAOYSA-N -1 1 262.259 2.581 20 10 CFCDMM CN(Cc1cncs1)Cc1c([O-])ccc(F)c1F ZINC001233335866 777896394 /nfs/dbraw/zinc/89/63/94/777896394.db2.gz PAOPCVYLAHONQQ-UHFFFAOYSA-N -1 1 270.304 2.759 20 10 CFCDMM [O-]c1c(CN2CCCC23COC3)cccc1C(F)(F)F ZINC001233418708 777942309 /nfs/dbraw/zinc/94/23/09/777942309.db2.gz RUMVTHYHIINPMN-UHFFFAOYSA-N -1 1 287.281 2.776 20 10 CFCDMM C[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415982 777943478 /nfs/dbraw/zinc/94/34/78/777943478.db2.gz QVUVPOCHWZYARK-VIFPVBQESA-N -1 1 275.270 2.632 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCCC1=O ZINC001233495087 777968625 /nfs/dbraw/zinc/96/86/25/777968625.db2.gz BCJSQILFPMTKJA-HNNXBMFYSA-N -1 1 292.331 2.971 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H](C)OCC ZINC001233495314 777969290 /nfs/dbraw/zinc/96/92/90/777969290.db2.gz FABLZRZWQXNLRT-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@H](C)C1 ZINC001234474726 778233424 /nfs/dbraw/zinc/23/34/24/778233424.db2.gz WOIUYFKCQAHHHN-WCBMZHEXSA-N -1 1 250.294 2.868 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)Cc1ccco1 ZINC001234475669 778233472 /nfs/dbraw/zinc/23/34/72/778233472.db2.gz IFKDALZEEOOEQY-SECBINFHSA-N -1 1 276.288 2.903 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCc2cccnc21 ZINC001234473336 778233623 /nfs/dbraw/zinc/23/36/23/778233623.db2.gz DCUMTEQGNSJFQV-CQSZACIVSA-N -1 1 285.299 2.762 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC(C)(C)C1 ZINC001234474974 778233810 /nfs/dbraw/zinc/23/38/10/778233810.db2.gz BHLBCHUPJWBKIN-SNVBAGLBSA-N -1 1 280.320 2.637 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CCC1 ZINC001234474308 778234239 /nfs/dbraw/zinc/23/42/39/778234239.db2.gz QYLLIIHHJSAMDM-SECBINFHSA-N -1 1 250.294 2.868 20 10 CFCDMM C[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792663 778938948 /nfs/dbraw/zinc/93/89/48/778938948.db2.gz GLFCWZLQNNJEKU-CYBMUJFWSA-N -1 1 290.190 2.903 20 10 CFCDMM COc1cc([O-])c(CN(C)CC(F)F)c(Cl)c1 ZINC001236805386 778947432 /nfs/dbraw/zinc/94/74/32/778947432.db2.gz FDMPUVZNFVKYRV-UHFFFAOYSA-N -1 1 265.687 2.751 20 10 CFCDMM CCOC1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077002 779005746 /nfs/dbraw/zinc/00/57/46/779005746.db2.gz BJRIGRGGZXVEIX-UHFFFAOYSA-N -1 1 276.163 2.920 20 10 CFCDMM C[C@H]1COCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237076898 779005117 /nfs/dbraw/zinc/00/51/17/779005117.db2.gz AGHFGZFQZZRYLK-QMMMGPOBSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](O)[C@H](F)C1 ZINC001237078338 779006563 /nfs/dbraw/zinc/00/65/63/779006563.db2.gz PVKBHPPYOSDYNS-MWLCHTKSSA-N -1 1 294.153 2.604 20 10 CFCDMM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCO1 ZINC001237078565 779007067 /nfs/dbraw/zinc/00/70/67/779007067.db2.gz USFHRCUZGKTGQT-QMMMGPOBSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H](F)C[C@H]1CO ZINC001237077415 779007649 /nfs/dbraw/zinc/00/76/49/779007649.db2.gz HMKNZVFHYLCKGV-YUMQZZPRSA-N -1 1 294.153 2.604 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CCO2)C1 ZINC001237084644 779009105 /nfs/dbraw/zinc/00/91/05/779009105.db2.gz MTVBIVGMLLVXKZ-UHFFFAOYSA-N -1 1 274.147 2.674 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN(C1CC1)C1COC1 ZINC001237123050 779019083 /nfs/dbraw/zinc/01/90/83/779019083.db2.gz BGOHDFUMDHHARK-UHFFFAOYSA-N -1 1 271.719 2.548 20 10 CFCDMM CCOC(=O)CN(CC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940817 779211738 /nfs/dbraw/zinc/21/17/38/779211738.db2.gz NXPHNAWPBJYYEF-UHFFFAOYSA-N -1 1 289.734 2.570 20 10 CFCDMM CC(=O)[C@@H]1CCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940764 779212009 /nfs/dbraw/zinc/21/20/09/779212009.db2.gz CYGXZBNNVKKRMJ-LBPRGKRZSA-N -1 1 271.719 2.738 20 10 CFCDMM C[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])[C@H](C)CO1 ZINC001237949215 779215199 /nfs/dbraw/zinc/21/51/99/779215199.db2.gz ITUVHLFBHLCPJY-RKDXNWHRSA-N -1 1 273.735 2.794 20 10 CFCDMM C[C@@H]1COCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793282 779637473 /nfs/dbraw/zinc/63/74/73/779637473.db2.gz JVLAWFPHAXEMDP-MRVPVSSYSA-N -1 1 276.163 2.920 20 10 CFCDMM C[C@@H](NCc1nccs1)c1ccc(F)c(F)c1[O-] ZINC000191211885 296136421 /nfs/dbraw/zinc/13/64/21/296136421.db2.gz ILLYMUISWSFZEC-SSDOTTSWSA-N -1 1 270.304 2.978 20 10 CFCDMM C[C@@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C[C@@H](C)C1 ZINC000295557385 380938870 /nfs/dbraw/zinc/93/88/70/380938870.db2.gz VGDNTEBFFQVOJK-ZJUUUORDSA-N -1 1 281.327 2.745 20 10 CFCDMM O=C(N[C@@H]1CC12CCCCC2)c1c(F)ccc(O)c1[O-] ZINC000297596314 381567140 /nfs/dbraw/zinc/56/71/40/381567140.db2.gz UOCFCZJQMQQLHU-LLVKDONJSA-N -1 1 279.311 2.690 20 10 CFCDMM CC[C@]1(C)CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294861245 382533734 /nfs/dbraw/zinc/53/37/34/382533734.db2.gz GZGQVTYVOXOISC-OAHLLOKOSA-N -1 1 281.327 2.889 20 10 CFCDMM O=C(NCC[C@@H]1CC=CCC1)c1c(F)ccc(O)c1[O-] ZINC000530275751 383769707 /nfs/dbraw/zinc/76/97/07/383769707.db2.gz XDQHFHGKVVEGTF-SNVBAGLBSA-N -1 1 279.311 2.713 20 10 CFCDMM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cccc(F)c1[O-] ZINC000272323206 385509985 /nfs/dbraw/zinc/50/99/85/385509985.db2.gz UROHCMWSCMSURP-JTQLQIEISA-N -1 1 283.343 2.693 20 10 CFCDMM C[C@@H](NCc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273372635 287042028 /nfs/dbraw/zinc/04/20/28/287042028.db2.gz GLPYJOYRUNQLNY-MRVPVSSYSA-N -1 1 279.321 2.608 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCC(=O)[C@@H](C)C2)c1[O-] ZINC000169140287 518279154 /nfs/dbraw/zinc/27/91/54/518279154.db2.gz SNKPGWVXIURQCI-VIFPVBQESA-N -1 1 295.766 2.659 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)C(F)(F)F)c1 ZINC000287138715 522139724 /nfs/dbraw/zinc/13/97/24/522139724.db2.gz ANAVEWDYJMVGCE-JGVFFNPUSA-N -1 1 291.269 2.780 20 10 CFCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000833419507 605548767 /nfs/dbraw/zinc/54/87/67/605548767.db2.gz FTELURKNNCXOJM-GFCCVEGCSA-N -1 1 295.354 2.854 20 10 CFCDMM CC(C)(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000833426026 605750924 /nfs/dbraw/zinc/75/09/24/605750924.db2.gz MINKFAISBVFHMD-LLVKDONJSA-N -1 1 271.744 2.635 20 10 CFCDMM COCCC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760112 617836659 /nfs/dbraw/zinc/83/66/59/617836659.db2.gz IIWOGMAYVKTYKT-UHFFFAOYSA-N -1 1 297.782 2.869 20 10 CFCDMM CCc1nc(C(=O)NCc2cccc(Cl)c2[O-])c(C)o1 ZINC000890759216 617836910 /nfs/dbraw/zinc/83/69/10/617836910.db2.gz GVVQDQNUXLDLPW-UHFFFAOYSA-N -1 1 294.738 2.834 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000890759655 617836985 /nfs/dbraw/zinc/83/69/85/617836985.db2.gz GLWKURGEIYNSBN-IAZYJMLFSA-N -1 1 265.740 2.708 20 10 CFCDMM CC1=C(C(=O)NCc2cccc(Cl)c2[O-])CCCO1 ZINC000890759671 617837239 /nfs/dbraw/zinc/83/72/39/617837239.db2.gz GWORGMBFMYRRBC-UHFFFAOYSA-N -1 1 281.739 2.746 20 10 CFCDMM CC(C)[C@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759960 617839118 /nfs/dbraw/zinc/83/91/18/617839118.db2.gz XFLWCIBCECQYTD-MNOVXSKESA-N -1 1 267.756 2.954 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(F)c(Cl)c1 ZINC000158625950 618071726 /nfs/dbraw/zinc/07/17/26/618071726.db2.gz QJKNZTOWEKTKTA-XBXARRHUSA-N -1 1 273.741 2.968 20 10 CFCDMM CC(C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891445164 618208999 /nfs/dbraw/zinc/20/89/99/618208999.db2.gz QAPJKKRRSSJGSL-UHFFFAOYSA-N -1 1 256.733 2.501 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1F ZINC000178863193 619262263 /nfs/dbraw/zinc/26/22/63/619262263.db2.gz WLNGNOGTAWHEOY-YWEYNIOJSA-N -1 1 273.741 2.968 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000894593346 619427623 /nfs/dbraw/zinc/42/76/23/619427623.db2.gz RLAKGZUDGLQSIK-CYBMUJFWSA-N -1 1 291.297 2.594 20 10 CFCDMM [O-]c1cc(F)c(Cl)cc1CNc1n[nH]c2c1COCC2 ZINC000895741582 619593872 /nfs/dbraw/zinc/59/38/72/619593872.db2.gz JJTVRHVWXLGPDM-UHFFFAOYSA-N -1 1 297.717 2.593 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1O ZINC000148636902 620251732 /nfs/dbraw/zinc/25/17/32/620251732.db2.gz GNVDETUGKDFGTK-UHFFFAOYSA-N -1 1 281.308 2.641 20 10 CFCDMM C[C@@H]1CCCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000820938740 622799890 /nfs/dbraw/zinc/79/98/90/622799890.db2.gz DSBPUFZLFLOWKH-ZYHUDNBSSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1nccn1C ZINC000827722916 624076756 /nfs/dbraw/zinc/07/67/56/624076756.db2.gz ZIEPRBUKCRQLDW-MRVPVSSYSA-N -1 1 283.734 2.769 20 10 CFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000085203944 626039974 /nfs/dbraw/zinc/03/99/74/626039974.db2.gz LSYIQOQRZBJHBB-UHFFFAOYSA-N -1 1 287.337 2.702 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1nc2ccc(F)cc2s1 ZINC000761375982 626829565 /nfs/dbraw/zinc/82/95/65/626829565.db2.gz LNRNBHWOQVANKL-YWEYNIOJSA-N -1 1 296.373 2.924 20 10 CFCDMM O=C(NCC1(C2CCC2)CCC1)c1c(F)ccc(O)c1[O-] ZINC000839793699 626873379 /nfs/dbraw/zinc/87/33/79/626873379.db2.gz XDDQMLBTKPHYDN-UHFFFAOYSA-N -1 1 293.338 2.937 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])C1=CCCC1 ZINC000765727586 627155438 /nfs/dbraw/zinc/15/54/38/627155438.db2.gz CZUSYZLELIYXNB-UHFFFAOYSA-N -1 1 296.164 2.881 20 10 CFCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1c([O-])cccc1F ZINC000779486881 628385421 /nfs/dbraw/zinc/38/54/21/628385421.db2.gz WBBIEQDKNYFYKF-FNORWQNLSA-N -1 1 289.262 2.594 20 10 CFCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1c([O-])cccc1F ZINC000779486878 628385556 /nfs/dbraw/zinc/38/55/56/628385556.db2.gz WBBIEQDKNYFYKF-ALCCZGGFSA-N -1 1 289.262 2.594 20 10 CFCDMM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616037 628831294 /nfs/dbraw/zinc/83/12/94/628831294.db2.gz YHNRPAQMRJUFRB-NXEZZACHSA-N -1 1 280.320 2.506 20 10 CFCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccccc1 ZINC000789943435 629198928 /nfs/dbraw/zinc/19/89/28/629198928.db2.gz YWCVIXPTVYUHRR-VIFPVBQESA-N -1 1 275.279 2.728 20 10 CFCDMM Cc1cccc(CCNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000789967975 629200966 /nfs/dbraw/zinc/20/09/66/629200966.db2.gz ZLEORQCOXIIKFM-UHFFFAOYSA-N -1 1 289.306 2.518 20 10 CFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC(C3CC3)C2)c1[O-] ZINC000812775152 631770569 /nfs/dbraw/zinc/77/05/69/631770569.db2.gz HNLJYQFTNCIZAX-UHFFFAOYSA-N -1 1 282.727 2.796 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817881158 632717610 /nfs/dbraw/zinc/71/76/10/632717610.db2.gz GSWBCWHDKDOHHR-CABZTGNLSA-N -1 1 297.782 2.897 20 10 CFCDMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1SC ZINC000874928972 642555504 /nfs/dbraw/zinc/55/55/04/642555504.db2.gz YRJBZZZOQLJJSN-POHAHGRESA-N -1 1 281.358 2.741 20 10 CFCDMM CC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126169471 643022573 /nfs/dbraw/zinc/02/25/73/643022573.db2.gz XWILUOWJYRAWDG-UHFFFAOYSA-N -1 1 271.272 2.553 20 10 CFCDMM C[C@@H]1C[C@H](NCc2ccc(F)c(F)c2[O-])c2nccn21 ZINC000877571122 643369674 /nfs/dbraw/zinc/36/96/74/643369674.db2.gz WSFLWOCVTGOYSQ-KCJUWKMLSA-N -1 1 279.290 2.663 20 10 CFCDMM Cn1ncc(NCc2cc(F)cc(F)c2[O-])c1C1CC1 ZINC000883089404 645600420 /nfs/dbraw/zinc/60/04/20/645600420.db2.gz JEZZAKUHVODESM-UHFFFAOYSA-N -1 1 279.290 2.893 20 10 CFCDMM Cc1nnc(CN[C@H](C)c2c([O-])cccc2F)s1 ZINC000886588322 647056418 /nfs/dbraw/zinc/05/64/18/647056418.db2.gz OZVYULXNMCQTEL-SSDOTTSWSA-N -1 1 267.329 2.542 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(CCO)cc1 ZINC000708466677 775225357 /nfs/dbraw/zinc/22/53/57/775225357.db2.gz UDSCUMFXSWPOOX-UHFFFAOYSA-N -1 1 279.286 2.817 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446489 777220524 /nfs/dbraw/zinc/22/05/24/777220524.db2.gz JNYINGBJEOVWGH-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231446489 777220530 /nfs/dbraw/zinc/22/05/30/777220530.db2.gz JNYINGBJEOVWGH-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231449429 777220936 /nfs/dbraw/zinc/22/09/36/777220936.db2.gz ZSRHGYSBSUDINF-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC1CC1 ZINC001231449429 777220941 /nfs/dbraw/zinc/22/09/41/777220941.db2.gz ZSRHGYSBSUDINF-UHFFFAOYSA-N -1 1 263.337 2.712 20 10 CFCDMM CCC[NH+](CCC)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231446404 777221774 /nfs/dbraw/zinc/22/17/74/777221774.db2.gz IMBSFCQDQWNQKF-UHFFFAOYSA-N -1 1 251.326 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2CC3CCC(CC3)C2)c([O-])c1 ZINC001231453858 777223380 /nfs/dbraw/zinc/22/33/80/777223380.db2.gz LIPDHZFWZZLVOW-UHFFFAOYSA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(O)c(CN2Cc3ccccc3C2)c1 ZINC001231559448 777259441 /nfs/dbraw/zinc/25/94/41/777259441.db2.gz FDIHZCAUWFIISB-UHFFFAOYSA-N -1 1 269.300 2.606 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCc2cc(O)ccc2C1 ZINC001233332278 777890637 /nfs/dbraw/zinc/89/06/37/777890637.db2.gz FSTMZMYFQDOWBJ-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CCO[C@@H]1C ZINC001233496001 777969162 /nfs/dbraw/zinc/96/91/62/777969162.db2.gz UYEKTPLSJGGEDM-MNOVXSKESA-N -1 1 294.347 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC[C@@H]1F ZINC001233495351 777969321 /nfs/dbraw/zinc/96/93/21/777969321.db2.gz FICCWSMBVLTQIW-HZMBPMFUSA-N -1 1 298.310 2.586 20 10 CFCDMM CO[C@H]1CCCC[C@@H]1Oc1cc([O-])c(O)cc1C(C)=O ZINC001234475349 778234136 /nfs/dbraw/zinc/23/41/36/778234136.db2.gz FXDYZSWMWJHICL-KBPBESRZSA-N -1 1 280.320 2.637 20 10 CFCDMM CCOC(=O)CN(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236790273 778937388 /nfs/dbraw/zinc/93/73/88/778937388.db2.gz OJHZPFXKYAARSU-UHFFFAOYSA-N -1 1 292.162 2.694 20 10 CFCDMM COc1cc([O-])c(CN2CCC(=O)C[C@H]2C)c(Cl)c1 ZINC001236798119 778940532 /nfs/dbraw/zinc/94/05/32/778940532.db2.gz LNFZRFLSDYNINP-SECBINFHSA-N -1 1 283.755 2.608 20 10 CFCDMM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC001236795022 778940981 /nfs/dbraw/zinc/94/09/81/778940981.db2.gz ZZJFGRMPKBEZKB-MRVPVSSYSA-N -1 1 276.163 2.920 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCO[C@H]2C[C@H]21 ZINC001236801196 778944933 /nfs/dbraw/zinc/94/49/33/778944933.db2.gz BMDXRJOQJCARTM-PWSUYJOCSA-N -1 1 274.147 2.672 20 10 CFCDMM C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCCC1=O ZINC001237119122 779016275 /nfs/dbraw/zinc/01/62/75/779016275.db2.gz BCVWHPNGAKVQAH-SECBINFHSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOCC(F)(F)C1 ZINC001237121921 779017034 /nfs/dbraw/zinc/01/70/34/779017034.db2.gz QBZWULHQHGLPAP-UHFFFAOYSA-N -1 1 295.688 2.652 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@@H]1F ZINC001237121372 779017676 /nfs/dbraw/zinc/01/76/76/779017676.db2.gz LJOBJTBVAUDZAL-VIFPVBQESA-N -1 1 289.709 2.688 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CC[C@]12CCOC2 ZINC001237125395 779019289 /nfs/dbraw/zinc/01/92/89/779019289.db2.gz DKAKVUQWPAIVQA-CYBMUJFWSA-N -1 1 271.719 2.550 20 10 CFCDMM CCN(Cc1c([O-])ccc(F)c1Cl)[C@@H](C)C(=O)OC ZINC001237129344 779021192 /nfs/dbraw/zinc/02/11/92/779021192.db2.gz XMWDHZIZMRHPPQ-QMMMGPOBSA-N -1 1 289.734 2.568 20 10 CFCDMM C[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237808055 779184197 /nfs/dbraw/zinc/18/41/97/779184197.db2.gz POXYXRXWAMJSKH-VIFPVBQESA-N -1 1 273.735 2.796 20 10 CFCDMM CCCOC1CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937020 779211475 /nfs/dbraw/zinc/21/14/75/779211475.db2.gz NDLBSNTUJGYFAM-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM O=C1CCCN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1F ZINC001237935088 779212228 /nfs/dbraw/zinc/21/22/28/779212228.db2.gz QERFJGYARXFDFG-NSHDSACASA-N -1 1 289.709 2.688 20 10 CFCDMM Cc1cc(C[NH2+]Cc2c(O)cccc2Br)on1 ZINC000706829932 781204634 /nfs/dbraw/zinc/20/46/34/781204634.db2.gz HBEDEBGZJCGRSG-UHFFFAOYSA-N -1 1 297.152 2.741 20 10 CFCDMM C[C@H](NCc1nccs1)c1ccc(F)c(F)c1[O-] ZINC000191211869 299325369 /nfs/dbraw/zinc/32/53/69/299325369.db2.gz ILLYMUISWSFZEC-ZETCQYMHSA-N -1 1 270.304 2.978 20 10 CFCDMM CCn1cc(NCc2cccc(Cl)c2[O-])cn1 ZINC000124864313 377096375 /nfs/dbraw/zinc/09/63/75/377096375.db2.gz PCATWIQNFHDFCB-UHFFFAOYSA-N -1 1 251.717 2.874 20 10 CFCDMM CC[C@@H](C)CN(CC)C(=O)c1c([O-])c(O)ccc1F ZINC000295350079 380804282 /nfs/dbraw/zinc/80/42/82/380804282.db2.gz QICGJNDXQGVPSB-SECBINFHSA-N -1 1 269.316 2.745 20 10 CFCDMM COC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295464611 380871548 /nfs/dbraw/zinc/87/15/48/380871548.db2.gz WDQPHAQDYCWWGS-SECBINFHSA-N -1 1 273.735 2.653 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H](O)C2(CC2)C1 ZINC000375289912 382075271 /nfs/dbraw/zinc/07/52/71/382075271.db2.gz YSJYWVZHBTUAAC-NSHDSACASA-N -1 1 288.174 2.656 20 10 CFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc([O-])c1 ZINC000264825648 383787130 /nfs/dbraw/zinc/78/71/30/383787130.db2.gz IEWVOPDVQIXQDP-UHFFFAOYSA-N -1 1 299.374 2.516 20 10 CFCDMM Cc1c2ccccc2n(C)c1CNC(=O)c1ncccc1[O-] ZINC000352120951 228185515 /nfs/dbraw/zinc/18/55/15/228185515.db2.gz MUEQUXQNQKUFIC-UHFFFAOYSA-N -1 1 295.342 2.517 20 10 CFCDMM CCOC(=O)[C@H](NCc1cccc(F)c1[O-])[C@@H](C)CC ZINC000276484983 521271302 /nfs/dbraw/zinc/27/13/02/521271302.db2.gz OZAXZUBZGVMKOF-GXFFZTMASA-N -1 1 283.343 2.599 20 10 CFCDMM CCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736992183 574093122 /nfs/dbraw/zinc/09/31/22/574093122.db2.gz BDZVJILHYJXGSS-UHFFFAOYSA-N -1 1 271.744 2.732 20 10 CFCDMM CCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736992183 574093123 /nfs/dbraw/zinc/09/31/23/574093123.db2.gz BDZVJILHYJXGSS-UHFFFAOYSA-N -1 1 271.744 2.732 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1nccc2ccccc21 ZINC000740764555 574266396 /nfs/dbraw/zinc/26/63/96/574266396.db2.gz YJVCFCFZJIPMAG-XFFZJAGNSA-N -1 1 272.354 2.724 20 10 CFCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc(Cl)o2)c1 ZINC000725841680 574324967 /nfs/dbraw/zinc/32/49/67/574324967.db2.gz LNXNSEIZBYSOPQ-UHFFFAOYSA-N -1 1 282.683 2.837 20 10 CFCDMM O=C(NC[C@]12C[C@H]1CCCC2)c1c(F)ccc(O)c1[O-] ZINC000900207869 620650209 /nfs/dbraw/zinc/65/02/09/620650209.db2.gz WIDIIBYDEFVQAO-PSLIRLAXSA-N -1 1 279.311 2.547 20 10 CFCDMM O=C(C[C@@H]1CCCC[C@H]1O)NCc1cccc(Cl)c1[O-] ZINC000890759575 617837383 /nfs/dbraw/zinc/83/73/83/617837383.db2.gz OMNZIXFEGMFMLO-GXFFZTMASA-N -1 1 297.782 2.603 20 10 CFCDMM O=C(C[C@H]1CCCC[C@@H]1O)NCc1cccc(Cl)c1[O-] ZINC000890759576 617837582 /nfs/dbraw/zinc/83/75/82/617837582.db2.gz OMNZIXFEGMFMLO-MFKMUULPSA-N -1 1 297.782 2.603 20 10 CFCDMM CC[C@H](SC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760593 617838265 /nfs/dbraw/zinc/83/82/65/617838265.db2.gz UQCOSHFANYVJKM-JTQLQIEISA-N -1 1 273.785 2.803 20 10 CFCDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CCC1=O ZINC000890760397 617839047 /nfs/dbraw/zinc/83/90/47/617839047.db2.gz QSSYECHSDPPMKP-VHSXEESVSA-N -1 1 295.766 2.667 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1conc1C1CC1 ZINC000890759984 617839109 /nfs/dbraw/zinc/83/91/09/617839109.db2.gz XWDVJEYBLJEUKV-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ncoc1C1CC1 ZINC000890761204 617839164 /nfs/dbraw/zinc/83/91/64/617839164.db2.gz NHSANNLMUJQGSA-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc(C2CC2)o1 ZINC000890761814 617841207 /nfs/dbraw/zinc/84/12/07/617841207.db2.gz YXGHWWBOMLVGEC-UHFFFAOYSA-N -1 1 292.722 2.841 20 10 CFCDMM Cc1noc(C)c1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758480 617835815 /nfs/dbraw/zinc/83/58/15/617835815.db2.gz ZYOKJJJQJVOCAG-UHFFFAOYSA-N -1 1 294.738 2.509 20 10 CFCDMM CC1(C)CO[C@H](CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890763682 617843050 /nfs/dbraw/zinc/84/30/50/617843050.db2.gz ZWOWIHZTRSAQBA-LLVKDONJSA-N -1 1 297.782 2.867 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@]12C[C@H]1CCC2 ZINC000890763349 617843654 /nfs/dbraw/zinc/84/36/54/617843654.db2.gz STYKBPOMUFHRTM-QMTHXVAHSA-N -1 1 265.740 2.852 20 10 CFCDMM CCO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000890763513 617843737 /nfs/dbraw/zinc/84/37/37/617843737.db2.gz XJVSBQJCQVXCNO-ZDUSSCGKSA-N -1 1 285.771 2.723 20 10 CFCDMM CC(C)(C)c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905408342 621760623 /nfs/dbraw/zinc/76/06/23/621760623.db2.gz PQZKJIMGGUAHTK-UHFFFAOYSA-N -1 1 283.278 2.963 20 10 CFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000151873638 623585284 /nfs/dbraw/zinc/58/52/84/623585284.db2.gz PAHAMBULBJGLNS-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM CC1(C)CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829888142 624577995 /nfs/dbraw/zinc/57/79/95/624577995.db2.gz XLAAWPNSGBESAN-SECBINFHSA-N -1 1 281.327 2.936 20 10 CFCDMM CC[C@H](N[C@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)F ZINC000834826993 625884264 /nfs/dbraw/zinc/88/42/64/625884264.db2.gz HCCDGVSVPPACHL-KCJUWKMLSA-N -1 1 287.306 2.873 20 10 CFCDMM CC(C)N(Cc1cc(Cl)cc(F)c1[O-])C1COC1 ZINC000824471380 626480483 /nfs/dbraw/zinc/48/04/83/626480483.db2.gz AEXBEOAKAVQKRZ-UHFFFAOYSA-N -1 1 273.735 2.794 20 10 CFCDMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169270 626579795 /nfs/dbraw/zinc/57/97/95/626579795.db2.gz NDAXPLWTDFKGFF-UHFFFAOYSA-N -1 1 287.337 2.702 20 10 CFCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776748417 628174098 /nfs/dbraw/zinc/17/40/98/628174098.db2.gz HJXCLQMOMPZUBS-UHFFFAOYSA-N -1 1 295.335 2.949 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc2cnccc2c1 ZINC000779221143 628360907 /nfs/dbraw/zinc/36/09/07/628360907.db2.gz OTXAJMZOTONQRE-IZZDOVSWSA-N -1 1 272.354 2.724 20 10 CFCDMM C[C@H]1CCC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000783854870 628750139 /nfs/dbraw/zinc/75/01/39/628750139.db2.gz KFWTVKRYVAFKKM-JQWIXIFHSA-N -1 1 292.331 2.650 20 10 CFCDMM CCC(CC)[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784428386 628816081 /nfs/dbraw/zinc/81/60/81/628816081.db2.gz PLEXUEJCRXHHPI-SNVBAGLBSA-N -1 1 294.347 2.896 20 10 CFCDMM CCC[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)C ZINC000784445793 628817227 /nfs/dbraw/zinc/81/72/27/628817227.db2.gz NOKORBJGQSZKMY-LBPRGKRZSA-N -1 1 294.347 2.896 20 10 CFCDMM CC(C)[C@]1(C)C[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784811134 628843811 /nfs/dbraw/zinc/84/38/11/628843811.db2.gz WYCREWMKLVEIMW-ZBEGNZNMSA-N -1 1 292.331 2.506 20 10 CFCDMM CC(C)CC[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789953635 629199742 /nfs/dbraw/zinc/19/97/42/629199742.db2.gz WJFQFHXRPYSGGX-VIFPVBQESA-N -1 1 269.316 2.791 20 10 CFCDMM CCc1cccc(F)c1C=C1SC(=S)[N-]C1=O ZINC000794867344 629697242 /nfs/dbraw/zinc/69/72/42/629697242.db2.gz WLDWUYDDMHIYQB-POHAHGRESA-N -1 1 267.350 2.877 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1c[nH]c(C(F)(F)F)c1 ZINC000806564624 630812371 /nfs/dbraw/zinc/81/23/71/630812371.db2.gz FAOJEEDKLDWPLO-ORCRQEGFSA-N -1 1 278.280 2.522 20 10 CFCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cccc(F)c1[O-] ZINC000840828674 631233304 /nfs/dbraw/zinc/23/33/04/631233304.db2.gz OXAROYLBUKSTPT-CYBMUJFWSA-N -1 1 294.370 2.786 20 10 CFCDMM CC[N@H+](CC(=O)OC)Cc1ccc2ccccc2c1O ZINC000816503013 632472532 /nfs/dbraw/zinc/47/25/32/632472532.db2.gz ZYLSYJSVQJLAND-UHFFFAOYSA-N -1 1 273.332 2.540 20 10 CFCDMM C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC000818631037 632884801 /nfs/dbraw/zinc/88/48/01/632884801.db2.gz AIRJIBNMBZJJHQ-JOYOIKCWSA-N -1 1 283.755 2.731 20 10 CFCDMM CCCC[C@@](C)(F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000849845294 633741132 /nfs/dbraw/zinc/74/11/32/633741132.db2.gz CTGUBEBELRNZFQ-OAHLLOKOSA-N -1 1 298.310 2.742 20 10 CFCDMM CCCOC(=O)NCc1cccc(Br)c1[O-] ZINC000859133857 636469827 /nfs/dbraw/zinc/46/98/27/636469827.db2.gz HOAYLSQULBBYJK-UHFFFAOYSA-N -1 1 288.141 2.791 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])C12CC(C1)C2 ZINC000861332711 637168242 /nfs/dbraw/zinc/16/82/42/637168242.db2.gz RADWNNARQKXNQN-UHFFFAOYSA-N -1 1 296.164 2.571 20 10 CFCDMM NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000124499984 642165826 /nfs/dbraw/zinc/16/58/26/642165826.db2.gz CEYGHNLHYNBZPN-UHFFFAOYSA-N -1 1 276.723 2.757 20 10 CFCDMM CCC[C@H](CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000873419359 642196455 /nfs/dbraw/zinc/19/64/55/642196455.db2.gz RBHGXFPYYOUEMC-JTQLQIEISA-N -1 1 280.320 2.650 20 10 CFCDMM Cc1ccc2c(c1)N[C@@H](c1cccc(F)c1[O-])NC2=O ZINC000877865345 643613122 /nfs/dbraw/zinc/61/31/22/643613122.db2.gz YNDVPDBHRJTDAW-CQSZACIVSA-N -1 1 272.279 2.694 20 10 CFCDMM CCc1nnc(CN[C@H](C)c2c([O-])cccc2F)s1 ZINC000886612633 647067575 /nfs/dbraw/zinc/06/75/75/647067575.db2.gz QFJJVEBEEDPCLC-MRVPVSSYSA-N -1 1 281.356 2.796 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001231448772 777221598 /nfs/dbraw/zinc/22/15/98/777221598.db2.gz BBQGDYHHYJMATP-WCQYABFASA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001231448772 777221603 /nfs/dbraw/zinc/22/16/03/777221603.db2.gz BBQGDYHHYJMATP-WCQYABFASA-N -1 1 275.348 2.712 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCc2cnccc2C1 ZINC001231909314 777378487 /nfs/dbraw/zinc/37/84/87/777378487.db2.gz INQOVDVKTMQCEC-UHFFFAOYSA-N -1 1 274.751 2.999 20 10 CFCDMM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CCCC1=O ZINC001231909935 777380070 /nfs/dbraw/zinc/38/00/70/777380070.db2.gz UASZMFSWVJYXFI-JTQLQIEISA-N -1 1 267.756 2.847 20 10 CFCDMM COC(=O)[C@H](C(C)C)N(C)Cc1cccc(Cl)c1[O-] ZINC001231914888 777383539 /nfs/dbraw/zinc/38/35/39/777383539.db2.gz VBUAAPMLWBSIOT-LBPRGKRZSA-N -1 1 285.771 2.675 20 10 CFCDMM CN(Cc1cncs1)Cc1ccc(F)c(F)c1[O-] ZINC001233078905 777790158 /nfs/dbraw/zinc/79/01/58/777790158.db2.gz NVXDWVWEIAJNBL-UHFFFAOYSA-N -1 1 270.304 2.759 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1c1cnccn1 ZINC001233334464 777894032 /nfs/dbraw/zinc/89/40/32/777894032.db2.gz IDZRJFUZXSVREI-CYBMUJFWSA-N -1 1 291.301 2.798 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1c1ncccn1 ZINC001233336305 777896831 /nfs/dbraw/zinc/89/68/31/777896831.db2.gz HHKRAPLRNAXYGG-GFCCVEGCSA-N -1 1 291.301 2.798 20 10 CFCDMM C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001233416416 777942336 /nfs/dbraw/zinc/94/23/36/777942336.db2.gz HIBGUMSCENUDIK-VIFPVBQESA-N -1 1 275.270 2.632 20 10 CFCDMM C[C@]1(F)CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508805 778395090 /nfs/dbraw/zinc/39/50/90/778395090.db2.gz MAMWCAFAPZTUAG-ZDUSSCGKSA-N -1 1 259.271 2.994 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@](F)(CO)C1 ZINC001236793602 778939774 /nfs/dbraw/zinc/93/97/74/778939774.db2.gz MBBFIUOSLAGOOL-GFCCVEGCSA-N -1 1 294.153 2.605 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[C@H]1CO2 ZINC001236796425 778941842 /nfs/dbraw/zinc/94/18/42/778941842.db2.gz OUTWNEVOKFFETJ-IUCAKERBSA-N -1 1 274.147 2.672 20 10 CFCDMM COc1cc([O-])c(CN2C[C@@H](F)[C@H](F)C2)c(Cl)c1 ZINC001236799081 778942656 /nfs/dbraw/zinc/94/26/56/778942656.db2.gz RCBDCBSXCISSKD-GHMZBOCLSA-N -1 1 277.698 2.546 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2nccc2C1 ZINC001236802155 778945788 /nfs/dbraw/zinc/94/57/88/778945788.db2.gz GLIRZUBMRSSFDT-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM O=C1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080392 779007320 /nfs/dbraw/zinc/00/73/20/779007320.db2.gz BNPCFHAZLQVSLY-UHFFFAOYSA-N -1 1 274.147 2.864 20 10 CFCDMM CC1(CO)CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078802 779007901 /nfs/dbraw/zinc/00/79/01/779007901.db2.gz XCUJSWFFTFQGHN-UHFFFAOYSA-N -1 1 276.163 2.513 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237085236 779009029 /nfs/dbraw/zinc/00/90/29/779009029.db2.gz VUCIHJKKVWFYEF-VIFPVBQESA-N -1 1 292.137 2.812 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(F)c2Cl)CC1(F)F ZINC001237125464 779020256 /nfs/dbraw/zinc/02/02/56/779020256.db2.gz CILIFYJREAHFJY-UHFFFAOYSA-N -1 1 293.672 2.595 20 10 CFCDMM C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233416207 779040408 /nfs/dbraw/zinc/04/04/08/779040408.db2.gz ZSPYDBNUOARCEB-SECBINFHSA-N -1 1 287.281 2.822 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCCCC12COC2 ZINC001237938135 779210896 /nfs/dbraw/zinc/21/08/96/779210896.db2.gz YOTZOHCPZMVSKB-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOCC12CC2 ZINC001237940434 779211042 /nfs/dbraw/zinc/21/10/42/779211042.db2.gz KVXVKFGPZVVNSJ-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM O=C1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1(F)F ZINC001237950441 779214379 /nfs/dbraw/zinc/21/43/79/779214379.db2.gz UBTXMVNYNXCERK-UHFFFAOYSA-N -1 1 293.672 2.595 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOCC12CCC2 ZINC001237949442 779214773 /nfs/dbraw/zinc/21/47/73/779214773.db2.gz LSWUOICXIBGKEV-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CC(F)(F)C1 ZINC001237948194 779215123 /nfs/dbraw/zinc/21/51/23/779215123.db2.gz ZCYFWHXXKFWQGA-UHFFFAOYSA-N -1 1 251.635 2.636 20 10 CFCDMM C[C@H]1CC(=O)CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122453 779664814 /nfs/dbraw/zinc/66/48/14/779664814.db2.gz UYXCCOSPLNAVSD-QMMMGPOBSA-N -1 1 271.719 2.738 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+](C)Cc2cnccn2)c1O ZINC000179886594 380591323 /nfs/dbraw/zinc/59/13/23/380591323.db2.gz DIYHXWDENURYCU-UHFFFAOYSA-N -1 1 277.755 2.776 20 10 CFCDMM CS[C@@H]1CCCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295476609 380883216 /nfs/dbraw/zinc/88/32/16/380883216.db2.gz PJEDXOBARKBJNN-SECBINFHSA-N -1 1 299.367 2.595 20 10 CFCDMM CS[C@H]1CCCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295476617 380883249 /nfs/dbraw/zinc/88/32/49/380883249.db2.gz PJEDXOBARKBJNN-VIFPVBQESA-N -1 1 299.367 2.595 20 10 CFCDMM CCC1(CC)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295182424 382579170 /nfs/dbraw/zinc/57/91/70/382579170.db2.gz TUJLGYSSTRTKPA-UHFFFAOYSA-N -1 1 281.327 2.889 20 10 CFCDMM CN(Cc1cscn1)Cc1cccc(F)c1[O-] ZINC000272297488 385502599 /nfs/dbraw/zinc/50/25/99/385502599.db2.gz PCLXHWNGYXWBKB-UHFFFAOYSA-N -1 1 252.314 2.620 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C)[C@@H]2C)c1[O-] ZINC000155959119 518277963 /nfs/dbraw/zinc/27/79/63/518277963.db2.gz OGUJUSQMVCPQRD-GXSJLCMTSA-N -1 1 297.782 2.857 20 10 CFCDMM CC1(C)C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277653285 520533061 /nfs/dbraw/zinc/53/30/61/520533061.db2.gz ZEWJUKZMFFYPBI-SECBINFHSA-N -1 1 298.180 2.817 20 10 CFCDMM Cc1cc(C)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000728697522 574104792 /nfs/dbraw/zinc/10/47/92/574104792.db2.gz QUIQLIIEGUCDFB-WJDWOHSUSA-N -1 1 292.338 2.765 20 10 CFCDMM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000828664496 601432861 /nfs/dbraw/zinc/43/28/61/601432861.db2.gz AVJJSPHXKHACEU-ZDUSSCGKSA-N -1 1 271.744 2.779 20 10 CFCDMM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086726726 604528482 /nfs/dbraw/zinc/52/84/82/604528482.db2.gz YSLQDXNZLVDZTD-SNVBAGLBSA-N -1 1 290.146 2.748 20 10 CFCDMM O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086726726 604528486 /nfs/dbraw/zinc/52/84/86/604528486.db2.gz YSLQDXNZLVDZTD-SNVBAGLBSA-N -1 1 290.146 2.748 20 10 CFCDMM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827836 605682826 /nfs/dbraw/zinc/68/28/26/605682826.db2.gz BCEGMNXVRYNVFQ-UWVGGRQHSA-N -1 1 298.770 2.524 20 10 CFCDMM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(Cl)ccc1[O-] ZINC000833827836 605682830 /nfs/dbraw/zinc/68/28/30/605682830.db2.gz BCEGMNXVRYNVFQ-UWVGGRQHSA-N -1 1 298.770 2.524 20 10 CFCDMM CC(C)(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000833426030 605751152 /nfs/dbraw/zinc/75/11/52/605751152.db2.gz MINKFAISBVFHMD-NSHDSACASA-N -1 1 271.744 2.635 20 10 CFCDMM O=C(CCC(F)F)NCc1cccc(Cl)c1[O-] ZINC000890759513 617837042 /nfs/dbraw/zinc/83/70/42/617837042.db2.gz LZQQPGFWMCFCKR-UHFFFAOYSA-N -1 1 263.671 2.707 20 10 CFCDMM CC[C@@H](C)[C@@H](OC)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759826 617837467 /nfs/dbraw/zinc/83/74/67/617837467.db2.gz RNMKYGUWOOEIIN-NOZJJQNGSA-N -1 1 285.771 2.723 20 10 CFCDMM CCCc1nc(C(=O)NCc2cccc(Cl)c2[O-])co1 ZINC000890759046 617837481 /nfs/dbraw/zinc/83/74/81/617837481.db2.gz ARRVZTMRPFGIBC-UHFFFAOYSA-N -1 1 294.738 2.916 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC2(CC2)C1 ZINC000890761042 617839942 /nfs/dbraw/zinc/83/99/42/617839942.db2.gz JFUURGFLONLWED-UHFFFAOYSA-N -1 1 265.740 2.852 20 10 CFCDMM CCC(C)(C)OCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761075 617840138 /nfs/dbraw/zinc/84/01/38/617840138.db2.gz KCNJJSAUADCBPO-UHFFFAOYSA-N -1 1 285.771 2.867 20 10 CFCDMM C[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892060355 617933193 /nfs/dbraw/zinc/93/31/93/617933193.db2.gz JDAJIFNBLULCDH-PSASIEDQSA-N -1 1 268.744 2.501 20 10 CFCDMM CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC000783730144 618721692 /nfs/dbraw/zinc/72/16/92/618721692.db2.gz QSBMJLQIDCXNSC-GFCCVEGCSA-N -1 1 287.762 2.778 20 10 CFCDMM OCC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1O ZINC000893871158 619232682 /nfs/dbraw/zinc/23/26/82/619232682.db2.gz GYERSOWZYHPOQX-UHFFFAOYSA-N -1 1 293.313 2.665 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC=CO1 ZINC000894330434 619336179 /nfs/dbraw/zinc/33/61/79/619336179.db2.gz ZYDSSDFRTCISLR-NSHDSACASA-N -1 1 296.754 2.538 20 10 CFCDMM CC(C)(C)C1CC(NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000832871001 625535379 /nfs/dbraw/zinc/53/53/79/625535379.db2.gz TXYAPZCFKJJIDC-UHFFFAOYSA-N -1 1 281.327 2.791 20 10 CFCDMM C[C@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])c2ncnn21 ZINC000826888628 623903191 /nfs/dbraw/zinc/90/31/91/623903191.db2.gz JINLOJIBMNMAHD-CPCISQLKSA-N -1 1 296.733 2.572 20 10 CFCDMM CC[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737271 627155767 /nfs/dbraw/zinc/15/57/67/627155767.db2.gz TVFZBTDPRWQZCE-MRVPVSSYSA-N -1 1 286.169 2.817 20 10 CFCDMM CCn1nc(C=C2SC(=S)[N-]C2=O)c2ccccc21 ZINC000769718354 627469510 /nfs/dbraw/zinc/46/95/10/627469510.db2.gz KTTOVMQWAIYFDY-XFFZJAGNSA-N -1 1 289.385 2.545 20 10 CFCDMM Cc1cccc2c1N[C@H](c1cccc(F)c1[O-])NC2=O ZINC000778519591 628312186 /nfs/dbraw/zinc/31/21/86/628312186.db2.gz JCKHATCLGOFOCL-AWEZNQCLSA-N -1 1 272.279 2.694 20 10 CFCDMM O=C(COC(=O)C(F)=C1CCCC1)c1ccc([O-])c(O)c1 ZINC000784150949 628784257 /nfs/dbraw/zinc/78/42/57/628784257.db2.gz APGDZOKTJSADRT-UHFFFAOYSA-N -1 1 294.278 2.621 20 10 CFCDMM O=C(NC[C@H]1CCC[C@H]1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000839807781 628869224 /nfs/dbraw/zinc/86/92/24/628869224.db2.gz UCNZRWJLZZFXTP-MNOVXSKESA-N -1 1 293.338 2.793 20 10 CFCDMM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1c(F)ccc(O)c1[O-] ZINC000839807780 628869413 /nfs/dbraw/zinc/86/94/13/628869413.db2.gz UCNZRWJLZZFXTP-GHMZBOCLSA-N -1 1 293.338 2.793 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ncc(C(F)(F)F)s1 ZINC000788343250 629060141 /nfs/dbraw/zinc/06/01/41/629060141.db2.gz FRWZUOBRWQPWEA-IWQZZHSRSA-N -1 1 296.320 2.651 20 10 CFCDMM C[C@H](NCC(F)(F)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000788749388 629096766 /nfs/dbraw/zinc/09/67/66/629096766.db2.gz FEYYCACPHJVGTN-ZETCQYMHSA-N -1 1 299.239 2.689 20 10 CFCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccccc1 ZINC000789943434 629199248 /nfs/dbraw/zinc/19/92/48/629199248.db2.gz YWCVIXPTVYUHRR-SECBINFHSA-N -1 1 275.279 2.728 20 10 CFCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1[O-] ZINC000840997741 631297667 /nfs/dbraw/zinc/29/76/67/631297667.db2.gz IXUFURXMBXEXDL-SWHYSGLUSA-N -1 1 293.338 2.749 20 10 CFCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000816560624 632484019 /nfs/dbraw/zinc/48/40/19/632484019.db2.gz UYPDZEFMRALJEP-UHFFFAOYSA-N -1 1 269.707 2.839 20 10 CFCDMM Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC12CCOCC2 ZINC000816592461 632491783 /nfs/dbraw/zinc/49/17/83/632491783.db2.gz KSSNNJATUGVVBO-UHFFFAOYSA-N -1 1 285.746 2.940 20 10 CFCDMM C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631060 632885267 /nfs/dbraw/zinc/88/52/67/632885267.db2.gz BHMYPODHXAJSBL-NOZJJQNGSA-N -1 1 283.755 2.731 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631060 632885275 /nfs/dbraw/zinc/88/52/75/632885275.db2.gz BHMYPODHXAJSBL-NOZJJQNGSA-N -1 1 283.755 2.731 20 10 CFCDMM [O-]c1c(Br)cccc1CNc1cccnn1 ZINC000191839546 650524938 /nfs/dbraw/zinc/52/49/38/650524938.db2.gz MZBRFZLXHIFFHV-UHFFFAOYSA-N -1 1 280.125 2.557 20 10 CFCDMM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877080646 643140307 /nfs/dbraw/zinc/14/03/07/643140307.db2.gz LJCBCFCADJEHLD-NSHDSACASA-N -1 1 283.274 2.741 20 10 CFCDMM C[C@H](CN(C)C(=O)c1c([O-])c(O)ccc1F)C(C)(C)C ZINC000881461845 644980694 /nfs/dbraw/zinc/98/06/94/644980694.db2.gz IVUCAMXIZWAKDI-SECBINFHSA-N -1 1 283.343 2.991 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cnc2c(c1)COCC2 ZINC000883084269 645598040 /nfs/dbraw/zinc/59/80/40/645598040.db2.gz MEQXAAFDDGGPPC-UHFFFAOYSA-N -1 1 292.285 2.750 20 10 CFCDMM [O-]c1c(Br)cccc1CNc1nncs1 ZINC000134423275 646343185 /nfs/dbraw/zinc/34/31/85/646343185.db2.gz LDNVWMMMKKGEQN-UHFFFAOYSA-N -1 1 286.154 2.618 20 10 CFCDMM [O-]c1ccc(Cl)c(F)c1CNc1n[nH]c2c1COCC2 ZINC000886205995 646921423 /nfs/dbraw/zinc/92/14/23/646921423.db2.gz FXNIIWMYAFFRFH-UHFFFAOYSA-N -1 1 297.717 2.593 20 10 CFCDMM Cc1nnc(CN[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886588323 647056713 /nfs/dbraw/zinc/05/67/13/647056713.db2.gz OZVYULXNMCQTEL-ZETCQYMHSA-N -1 1 267.329 2.542 20 10 CFCDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCCCC1 ZINC001231559993 777258922 /nfs/dbraw/zinc/25/89/22/777258922.db2.gz MBVWUQWYOPETHF-UHFFFAOYSA-N -1 1 263.337 2.855 20 10 CFCDMM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCCCC1 ZINC001231559993 777258930 /nfs/dbraw/zinc/25/89/30/777258930.db2.gz MBVWUQWYOPETHF-UHFFFAOYSA-N -1 1 263.337 2.855 20 10 CFCDMM [O-]c1cc(O)c(CN2CCC(F)(F)C2)cc1Cl ZINC001232258933 777496057 /nfs/dbraw/zinc/49/60/57/777496057.db2.gz DTTSKWXRCRZYLY-UHFFFAOYSA-N -1 1 263.671 2.592 20 10 CFCDMM [O-]c1c(CN2C[C@@H](F)[C@@H](F)C2)cccc1C(F)(F)F ZINC001233415894 777944043 /nfs/dbraw/zinc/94/40/43/777944043.db2.gz MXDBPNUGIFQYEY-AOOOYVTPSA-N -1 1 281.224 2.903 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCCC1=O ZINC001233495088 777968915 /nfs/dbraw/zinc/96/89/15/777968915.db2.gz BCJSQILFPMTKJA-OAHLLOKOSA-N -1 1 292.331 2.971 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@@H](C)C1 ZINC001234474725 778233681 /nfs/dbraw/zinc/23/36/81/778233681.db2.gz WOIUYFKCQAHHHN-SCZZXKLOSA-N -1 1 250.294 2.868 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C)C1 ZINC001234474724 778233700 /nfs/dbraw/zinc/23/37/00/778233700.db2.gz WOIUYFKCQAHHHN-PSASIEDQSA-N -1 1 250.294 2.868 20 10 CFCDMM C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@H]1O ZINC001236793120 778939169 /nfs/dbraw/zinc/93/91/69/778939169.db2.gz IBMZWOCYXHUMJD-JVXZTZIISA-N -1 1 276.163 2.512 20 10 CFCDMM C[C@H]1C[N@H+](Cc2cc(Cl)c(Cl)cc2O)C[C@@H]1O ZINC001236793122 778939488 /nfs/dbraw/zinc/93/94/88/778939488.db2.gz IBMZWOCYXHUMJD-MADCSZMMSA-N -1 1 276.163 2.512 20 10 CFCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1F ZINC001236799617 778942648 /nfs/dbraw/zinc/94/26/48/778942648.db2.gz QCSRXECZBFXQHU-SNVBAGLBSA-N -1 1 292.137 2.812 20 10 CFCDMM CO[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@H]1F ZINC001237076964 779005679 /nfs/dbraw/zinc/00/56/79/779005679.db2.gz BAKKKFURMNBTTL-ONGXEEELSA-N -1 1 294.153 2.868 20 10 CFCDMM COC(=O)[C@H](C)N(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083087 779007260 /nfs/dbraw/zinc/00/72/60/779007260.db2.gz YQVJUJYDLRTKDT-ZETCQYMHSA-N -1 1 292.162 2.692 20 10 CFCDMM C[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237121390 779017988 /nfs/dbraw/zinc/01/79/88/779017988.db2.gz MAQFJWWAWSMSFG-VIFPVBQESA-N -1 1 285.746 2.986 20 10 CFCDMM CC(=O)[C@@H]1CCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237127505 779021581 /nfs/dbraw/zinc/02/15/81/779021581.db2.gz GQYICSVQAXQXJX-NSHDSACASA-N -1 1 271.719 2.738 20 10 CFCDMM C[C@H]1CC(=O)CCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237933762 779210227 /nfs/dbraw/zinc/21/02/27/779210227.db2.gz GVCSQXWSUKYAKE-QMMMGPOBSA-N -1 1 271.719 2.738 20 10 CFCDMM O=C1CN(Cc2cc(F)c(Cl)cc2[O-])CCC[C@H]1F ZINC001237935107 779212207 /nfs/dbraw/zinc/21/22/07/779212207.db2.gz QJNGGCSMCXPAEP-SNVBAGLBSA-N -1 1 289.709 2.688 20 10 CFCDMM CCOC1CC([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000286690326 385687140 /nfs/dbraw/zinc/68/71/40/385687140.db2.gz CZSSXGXFRVVHRV-UHFFFAOYSA-N -1 1 295.354 2.733 20 10 CFCDMM COC(=O)[C@@H](C)N(Cc1cccc(Cl)c1[O-])C1CCC1 ZINC000191645528 523526524 /nfs/dbraw/zinc/52/65/24/523526524.db2.gz NMUUMHWBOIXTBX-SNVBAGLBSA-N -1 1 297.782 2.962 20 10 CFCDMM O=C([O-])N1CCC(C[NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000740495865 574097810 /nfs/dbraw/zinc/09/78/10/574097810.db2.gz DYOQCTBLTSCARY-UHFFFAOYSA-N -1 1 298.770 2.525 20 10 CFCDMM Cc1cnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000756606125 574251560 /nfs/dbraw/zinc/25/15/60/574251560.db2.gz BXMHXDCVSSAGQV-VIFPVBQESA-N -1 1 293.348 2.916 20 10 CFCDMM CC(C)[N@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000086748066 604643021 /nfs/dbraw/zinc/64/30/21/604643021.db2.gz XWUOVRJDQAFHBC-UHFFFAOYSA-N -1 1 271.744 2.731 20 10 CFCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000086748066 604643022 /nfs/dbraw/zinc/64/30/22/604643022.db2.gz XWUOVRJDQAFHBC-UHFFFAOYSA-N -1 1 271.744 2.731 20 10 CFCDMM O=C([O-])NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834221348 605556169 /nfs/dbraw/zinc/55/61/69/605556169.db2.gz RMWKUOXUOVJPGP-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000834221348 605556171 /nfs/dbraw/zinc/55/61/71/605556171.db2.gz RMWKUOXUOVJPGP-JTQLQIEISA-N -1 1 298.770 2.525 20 10 CFCDMM CC(C)n1cnc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759478 617837393 /nfs/dbraw/zinc/83/73/93/617837393.db2.gz LBZGVHBSVKCNSA-UHFFFAOYSA-N -1 1 293.754 2.753 20 10 CFCDMM CC(C)n1nccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759351 617837641 /nfs/dbraw/zinc/83/76/41/617837641.db2.gz AEGPRGXNIYCGIW-UHFFFAOYSA-N -1 1 293.754 2.753 20 10 CFCDMM CO[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CCCC1 ZINC000890760866 617838618 /nfs/dbraw/zinc/83/86/18/617838618.db2.gz CBOYZEVGDRUIGT-AWEZNQCLSA-N -1 1 297.782 2.867 20 10 CFCDMM CC(C)c1cc(C(=O)NCc2cccc(Cl)c2[O-])[nH]n1 ZINC000890757405 617834404 /nfs/dbraw/zinc/83/44/04/617834404.db2.gz CPDXPCPPRAKYJW-UHFFFAOYSA-N -1 1 293.754 2.822 20 10 CFCDMM CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC000783730150 618721668 /nfs/dbraw/zinc/72/16/68/618721668.db2.gz QSBMJLQIDCXNSC-LBPRGKRZSA-N -1 1 287.762 2.778 20 10 CFCDMM CCC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC ZINC000784117701 618744170 /nfs/dbraw/zinc/74/41/70/618744170.db2.gz MXNCWRFKEZTVRA-UHFFFAOYSA-N -1 1 278.304 2.570 20 10 CFCDMM CC1CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894608280 619426715 /nfs/dbraw/zinc/42/67/15/619426715.db2.gz GPMKZATZIOYZMS-UHFFFAOYSA-N -1 1 274.133 2.746 20 10 CFCDMM CC(C)(C)n1cc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000898219323 620347217 /nfs/dbraw/zinc/34/72/17/620347217.db2.gz WZTUTXAOFGTFGY-UHFFFAOYSA-N -1 1 294.786 2.682 20 10 CFCDMM O=S(=O)(CCC1CC1)Nc1cc(F)c([O-])cc1Cl ZINC000901962745 620946361 /nfs/dbraw/zinc/94/63/61/620946361.db2.gz MEYPBTGONPMFCW-UHFFFAOYSA-N -1 1 293.747 2.727 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1nc(C2CC2)no1 ZINC000905411909 621761960 /nfs/dbraw/zinc/76/19/60/621761960.db2.gz PRPAAABAYFDMPC-UHFFFAOYSA-N -1 1 267.235 2.543 20 10 CFCDMM O=C(NCC1(C2CC2)CCC1)c1c(F)ccc(O)c1[O-] ZINC000827230155 623970141 /nfs/dbraw/zinc/97/01/41/623970141.db2.gz DHQYCZIEZUFNRW-UHFFFAOYSA-N -1 1 279.311 2.547 20 10 CFCDMM CC(C)(C)[C@H]1CCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000828328110 624229235 /nfs/dbraw/zinc/22/92/35/624229235.db2.gz MGGHOQORJIINPN-VIFPVBQESA-N -1 1 281.327 2.745 20 10 CFCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000916617683 624265622 /nfs/dbraw/zinc/26/56/22/624265622.db2.gz WQPWKJUHTAWTAJ-UHFFFAOYSA-N -1 1 292.312 2.507 20 10 CFCDMM O=C(Nc1cccc(N2CCCC2)c1)c1ccc(O)cc1[O-] ZINC000917698085 624377794 /nfs/dbraw/zinc/37/77/94/624377794.db2.gz ZSCRWOBGHHDCFE-UHFFFAOYSA-N -1 1 298.342 2.950 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(F)c2cccnc12 ZINC000759116123 626628912 /nfs/dbraw/zinc/62/89/12/626628912.db2.gz MBMQABQTUPKVJV-POHAHGRESA-N -1 1 290.344 2.863 20 10 CFCDMM Cc1cncc(NCc2cccc(Br)c2[O-])n1 ZINC000764933553 627107782 /nfs/dbraw/zinc/10/77/82/627107782.db2.gz FIVIMNVQOSBALN-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765754303 627156133 /nfs/dbraw/zinc/15/61/33/627156133.db2.gz VLMLJVLMEDHAKD-UHFFFAOYSA-N -1 1 296.120 2.678 20 10 CFCDMM CC=C(C=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)CC ZINC000784215493 628791564 /nfs/dbraw/zinc/79/15/64/628791564.db2.gz ZVCCNUBTMSFEHZ-MJYGYMJXSA-N -1 1 290.315 2.736 20 10 CFCDMM CCC(CC)[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784428385 628815987 /nfs/dbraw/zinc/81/59/87/628815987.db2.gz PLEXUEJCRXHHPI-JTQLQIEISA-N -1 1 294.347 2.896 20 10 CFCDMM CC[C@H](C)[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616038 628831401 /nfs/dbraw/zinc/83/14/01/628831401.db2.gz YHNRPAQMRJUFRB-UWVGGRQHSA-N -1 1 280.320 2.506 20 10 CFCDMM O=C(NCc1cccc(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789940460 629198619 /nfs/dbraw/zinc/19/86/19/629198619.db2.gz AJVTUAIETNHXNW-UHFFFAOYSA-N -1 1 295.697 2.820 20 10 CFCDMM C[C@@H](Cc1cccs1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789971105 629201088 /nfs/dbraw/zinc/20/10/88/629201088.db2.gz NOTWAIFDZSOFBP-QMMMGPOBSA-N -1 1 295.335 2.659 20 10 CFCDMM CCCC[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000800275620 630365752 /nfs/dbraw/zinc/36/57/52/630365752.db2.gz BQOTYUHHIOIWOQ-SNVBAGLBSA-N -1 1 280.320 2.650 20 10 CFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(C)c1OC ZINC000806553879 630809375 /nfs/dbraw/zinc/80/93/75/630809375.db2.gz BJTMRVOWCCYQEK-UXBLZVDNSA-N -1 1 295.385 2.501 20 10 CFCDMM [O-]c1c(Cl)cccc1CNc1ccc(CCO)nc1 ZINC000809779914 631286196 /nfs/dbraw/zinc/28/61/96/631286196.db2.gz DTSWDFOPCGOJLA-UHFFFAOYSA-N -1 1 278.739 2.588 20 10 CFCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846111889 632635544 /nfs/dbraw/zinc/63/55/44/632635544.db2.gz ODXNXVOBVORRKD-DTORHVGOSA-N -1 1 277.673 2.882 20 10 CFCDMM C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639758 633305562 /nfs/dbraw/zinc/30/55/62/633305562.db2.gz LAGDJBUOVIUHCI-TVYUQYBPSA-N -1 1 295.354 2.756 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ncccc1C(F)(F)F ZINC000119540436 637706312 /nfs/dbraw/zinc/70/63/12/637706312.db2.gz MNMYEPSLCRCRFO-QPJJXVBHSA-N -1 1 290.291 2.589 20 10 CFCDMM CC(C)c1nnc([C@@H](C)NCc2ccc(F)c(F)c2[O-])[nH]1 ZINC000877125866 643165240 /nfs/dbraw/zinc/16/52/40/643165240.db2.gz CBUPCWKQPBJMNR-MRVPVSSYSA-N -1 1 296.321 2.763 20 10 CFCDMM C[C@H](CC1CCC1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000881369640 644963457 /nfs/dbraw/zinc/96/34/57/644963457.db2.gz KDAJINNGFDXGMS-MRVPVSSYSA-N -1 1 267.300 2.545 20 10 CFCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])C(C)(F)F ZINC000881437064 644974793 /nfs/dbraw/zinc/97/47/93/644974793.db2.gz KJNBXPQTSFJLRP-UHFFFAOYSA-N -1 1 291.269 2.648 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(F)F)c1[O-] ZINC000135820877 646639562 /nfs/dbraw/zinc/63/95/62/646639562.db2.gz KFOBNBLXNDMZHZ-UHFFFAOYSA-N -1 1 277.698 2.945 20 10 CFCDMM C[C@@H](NCc1ncnn1C(C)(C)C)c1c([O-])cccc1F ZINC000886606833 647064568 /nfs/dbraw/zinc/06/45/68/647064568.db2.gz HDBWGMOGCCNTEA-SNVBAGLBSA-N -1 1 292.358 2.729 20 10 CFCDMM C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450444 777222731 /nfs/dbraw/zinc/22/27/31/777222731.db2.gz FFFXGAOWYCQFID-LLVKDONJSA-N -1 1 263.337 2.855 20 10 CFCDMM C[C@@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450444 777222733 /nfs/dbraw/zinc/22/27/33/777222733.db2.gz FFFXGAOWYCQFID-LLVKDONJSA-N -1 1 263.337 2.855 20 10 CFCDMM C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231455281 777222967 /nfs/dbraw/zinc/22/29/67/777222967.db2.gz MGNXMKQALDLKLQ-QWRGUYRKSA-N -1 1 263.337 2.568 20 10 CFCDMM COC1(C)CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233415812 777941342 /nfs/dbraw/zinc/94/13/42/777941342.db2.gz JBAQLFZPFNITQK-UHFFFAOYSA-N -1 1 275.270 2.632 20 10 CFCDMM [O-]c1c(CN2CCCCO2)cccc1C(F)(F)F ZINC001233415659 777943460 /nfs/dbraw/zinc/94/34/60/777943460.db2.gz DNUSQCQGKBSJII-UHFFFAOYSA-N -1 1 261.243 2.938 20 10 CFCDMM CC(C)[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142527448 778402533 /nfs/dbraw/zinc/40/25/33/778402533.db2.gz VAMDGLPHBOODOK-AWEZNQCLSA-N -1 1 271.307 2.527 20 10 CFCDMM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795492 778941173 /nfs/dbraw/zinc/94/11/73/778941173.db2.gz FHDYWYNDVOMEDE-SSDOTTSWSA-N -1 1 292.162 2.692 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CCO2)C1 ZINC001236800662 778943749 /nfs/dbraw/zinc/94/37/49/778943749.db2.gz XKEKESKUXVZZFK-UHFFFAOYSA-N -1 1 274.147 2.674 20 10 CFCDMM CN(Cc1c([O-])ccc(Cl)c1Cl)C1COC1 ZINC001237082475 779006191 /nfs/dbraw/zinc/00/61/91/779006191.db2.gz RZAFQKYFRJJMNS-UHFFFAOYSA-N -1 1 262.136 2.530 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCOCC12CC2 ZINC001237127810 779021206 /nfs/dbraw/zinc/02/12/06/779021206.db2.gz FXCJKCXCNKTDFE-UHFFFAOYSA-N -1 1 271.719 2.550 20 10 CFCDMM CC1(C)COCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237127202 779021448 /nfs/dbraw/zinc/02/14/48/779021448.db2.gz WINSLLJYTXKITB-UHFFFAOYSA-N -1 1 273.735 2.796 20 10 CFCDMM C[C@@H]1COCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237807510 779184628 /nfs/dbraw/zinc/18/46/28/779184628.db2.gz KWHPNBWFDVDAER-VIFPVBQESA-N -1 1 273.735 2.653 20 10 CFCDMM CC(C)[C@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031050 781288315 /nfs/dbraw/zinc/28/83/15/781288315.db2.gz SNRDDNFUJXZFCS-CYBMUJFWSA-N -1 1 269.772 2.902 20 10 CFCDMM Oc1cccc(Cl)c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000130516813 377570850 /nfs/dbraw/zinc/57/08/50/377570850.db2.gz SMTKHTXISDDJRG-UHFFFAOYSA-N -1 1 267.756 2.801 20 10 CFCDMM CC1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])CCS1 ZINC000296042543 381226286 /nfs/dbraw/zinc/22/62/86/381226286.db2.gz AOIPJMUDIMMVDO-UHFFFAOYSA-N -1 1 299.367 2.595 20 10 CFCDMM C[C@@H](CCc1ccco1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296423337 381388492 /nfs/dbraw/zinc/38/84/92/381388492.db2.gz MULRSLWIUXKVBP-VIFPVBQESA-N -1 1 293.294 2.581 20 10 CFCDMM CC[C@H](C)N(CC(=O)OC)Cc1cccc(Cl)c1[O-] ZINC000281171417 394076598 /nfs/dbraw/zinc/07/65/98/394076598.db2.gz GWRAGJIWTDSRLB-JTQLQIEISA-N -1 1 285.771 2.819 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCO[C@H](C2CC2)C1 ZINC000364496955 394221029 /nfs/dbraw/zinc/22/10/29/394221029.db2.gz WIJSHLRHTWTXFA-ZDUSSCGKSA-N -1 1 267.756 2.656 20 10 CFCDMM Cc1noc([C@@H]2CCCN2Cc2cccc(F)c2[O-])n1 ZINC000289690433 394220940 /nfs/dbraw/zinc/22/09/40/394220940.db2.gz FLBYLUCGXPNRQB-LBPRGKRZSA-N -1 1 277.299 2.560 20 10 CFCDMM CC[C@H](NCc1cnn(CC)n1)c1cccc(Cl)c1[O-] ZINC000527923063 330296068 /nfs/dbraw/zinc/29/60/68/330296068.db2.gz IRDDSHMWARNABW-ZDUSSCGKSA-N -1 1 294.786 2.898 20 10 CFCDMM C[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276627497 524404788 /nfs/dbraw/zinc/40/47/88/524404788.db2.gz SBRKVQAWAKWQJN-BDAKNGLRSA-N -1 1 267.300 2.545 20 10 CFCDMM Cc1cc(C)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000728697521 574104879 /nfs/dbraw/zinc/10/48/79/574104879.db2.gz QUIQLIIEGUCDFB-LFIBNONCSA-N -1 1 292.338 2.765 20 10 CFCDMM O=C([O-])N1CCCC[C@H]1C[NH2+]Cc1c([O-])cccc1Cl ZINC000740515200 574253025 /nfs/dbraw/zinc/25/30/25/574253025.db2.gz FISKSQSIHZHWDF-JTQLQIEISA-N -1 1 298.770 2.668 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1occc1Br ZINC000735305577 574319693 /nfs/dbraw/zinc/31/96/93/574319693.db2.gz VUSLJKGAULQHQK-ZZXKWVIFSA-N -1 1 290.163 2.531 20 10 CFCDMM O=C([O-])C[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128816341 598151344 /nfs/dbraw/zinc/15/13/44/598151344.db2.gz RESTXYDRPSBQGF-SNVBAGLBSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000128816341 598151345 /nfs/dbraw/zinc/15/13/45/598151345.db2.gz RESTXYDRPSBQGF-SNVBAGLBSA-N -1 1 283.755 2.732 20 10 CFCDMM O=C(CSc1nccs1)c1ccc([O-])cc1 ZINC000040677255 617696097 /nfs/dbraw/zinc/69/60/97/617696097.db2.gz ISRVSRAPBUKYJF-UHFFFAOYSA-N -1 1 251.332 2.824 20 10 CFCDMM CC[C@@H]1CC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])O1 ZINC000890759475 617837273 /nfs/dbraw/zinc/83/72/73/617837273.db2.gz CWERMZYAMVKSQJ-PWSUYJOCSA-N -1 1 283.755 2.619 20 10 CFCDMM C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759715 617837417 /nfs/dbraw/zinc/83/74/17/617837417.db2.gz PEJJUNUVAFKVDO-VHSXEESVSA-N -1 1 295.766 2.667 20 10 CFCDMM C[C@H]1C[C@H]1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892060358 617933142 /nfs/dbraw/zinc/93/31/42/617933142.db2.gz JDAJIFNBLULCDH-WPRPVWTQSA-N -1 1 268.744 2.501 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1c2ccccc2C[C@H]1CO ZINC000895241104 618493000 /nfs/dbraw/zinc/49/30/00/618493000.db2.gz BWDJLUXEIRUFET-ZDUSSCGKSA-N -1 1 289.762 2.969 20 10 CFCDMM CC(C)=CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894395128 619366532 /nfs/dbraw/zinc/36/65/32/619366532.db2.gz XZYGRTYXIBPFHL-UHFFFAOYSA-N -1 1 268.744 2.811 20 10 CFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(F)CC2)c1[O-] ZINC000895548718 619549331 /nfs/dbraw/zinc/54/93/31/619549331.db2.gz BXPVOPSBZPJEMI-UHFFFAOYSA-N -1 1 288.706 2.888 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1C=CCC1 ZINC000895721379 619591056 /nfs/dbraw/zinc/59/10/56/619591056.db2.gz WXNRAGGYDYLVHT-SNVBAGLBSA-N -1 1 266.728 2.563 20 10 CFCDMM Cc1nn(C)c(NCc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000897391977 620092253 /nfs/dbraw/zinc/09/22/53/620092253.db2.gz IELDSRUWJIWGDI-UHFFFAOYSA-N -1 1 296.714 2.608 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@H](C)NC2(C(F)F)CC2)c1 ZINC000800502079 620193894 /nfs/dbraw/zinc/19/38/94/620193894.db2.gz LZGAVGPBGPWGEP-QMMMGPOBSA-N -1 1 285.290 2.627 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1O ZINC000897684508 620271067 /nfs/dbraw/zinc/27/10/67/620271067.db2.gz QKKXVWHWZOEOAC-WRWORJQWSA-N -1 1 276.163 2.512 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1ncc[nH]1 ZINC000080579844 620381372 /nfs/dbraw/zinc/38/13/72/620381372.db2.gz GNOHZSNZORHFDW-UHFFFAOYSA-N -1 1 272.135 2.712 20 10 CFCDMM CC(C)CCS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329893 622220676 /nfs/dbraw/zinc/22/06/76/622220676.db2.gz VFTALELNEHHARN-UHFFFAOYSA-N -1 1 291.800 2.511 20 10 CFCDMM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CC(C)(C)C1 ZINC000828279773 624221021 /nfs/dbraw/zinc/22/10/21/624221021.db2.gz BORSKWLXCKPRKE-VIFPVBQESA-N -1 1 281.327 2.745 20 10 CFCDMM Cc1ccsc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000000106046 624510123 /nfs/dbraw/zinc/51/01/23/624510123.db2.gz BXTPTKSTDRONEX-FMIVXFBMSA-N -1 1 284.340 2.518 20 10 CFCDMM C[C@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC=CCC1 ZINC000838182599 626489069 /nfs/dbraw/zinc/48/90/69/626489069.db2.gz IKOHEDHNHUMULT-INIZCTEOSA-N -1 1 290.315 2.570 20 10 CFCDMM CC[C@H](CC(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838254037 626491039 /nfs/dbraw/zinc/49/10/39/626491039.db2.gz WPQDITFVTKPROG-LLVKDONJSA-N -1 1 294.347 2.896 20 10 CFCDMM C[C@@H]1CC=C(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000838345458 626492834 /nfs/dbraw/zinc/49/28/34/626492834.db2.gz AYUIGEFPOKNKHP-SNVBAGLBSA-N -1 1 290.315 2.570 20 10 CFCDMM [O-]c1c(Br)cccc1CNc1ncc(F)cn1 ZINC000764933934 627107660 /nfs/dbraw/zinc/10/76/60/627107660.db2.gz GMDGNURJLOOROO-UHFFFAOYSA-N -1 1 298.115 2.696 20 10 CFCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000765747088 627156309 /nfs/dbraw/zinc/15/63/09/627156309.db2.gz LDKZOPPSUWXMSE-QMMMGPOBSA-N -1 1 298.180 2.817 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cscc1Cl ZINC000771837735 627635758 /nfs/dbraw/zinc/63/57/58/627635758.db2.gz MATJKHRJFAIKEQ-BHQIHCQQSA-N -1 1 261.780 2.890 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Cl)nc1Cl ZINC000779357693 628376577 /nfs/dbraw/zinc/37/65/77/628376577.db2.gz IWFVOWLSMYHPIQ-HYXAFXHYSA-N -1 1 291.184 2.877 20 10 CFCDMM C/C(=C/C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000783925871 628755916 /nfs/dbraw/zinc/75/59/16/628755916.db2.gz AWKRDTAMRZXEJO-YFHOEESVSA-N -1 1 292.331 2.816 20 10 CFCDMM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784616040 628831284 /nfs/dbraw/zinc/83/12/84/628831284.db2.gz YHNRPAQMRJUFRB-ZJUUUORDSA-N -1 1 280.320 2.506 20 10 CFCDMM CCC(C)(CC)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784754752 628841187 /nfs/dbraw/zinc/84/11/87/628841187.db2.gz DXPUXZQBADWGDU-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCCCC1 ZINC000784837753 628845186 /nfs/dbraw/zinc/84/51/86/628845186.db2.gz JLUQTZOOVPGEJE-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM CC(C)C(C)(C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784876001 628847200 /nfs/dbraw/zinc/84/72/00/628847200.db2.gz NZWQIYFBNIUYAT-UHFFFAOYSA-N -1 1 280.320 2.506 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788343249 629060182 /nfs/dbraw/zinc/06/01/82/629060182.db2.gz FRWZUOBRWQPWEA-HNQUOIGGSA-N -1 1 296.320 2.651 20 10 CFCDMM C[C@@H](NCC(F)(F)CO)c1cccc(C(F)(F)F)c1[O-] ZINC000788749387 629096920 /nfs/dbraw/zinc/09/69/20/629096920.db2.gz FEYYCACPHJVGTN-SSDOTTSWSA-N -1 1 299.239 2.689 20 10 CFCDMM Cc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1F ZINC000789948744 629198916 /nfs/dbraw/zinc/19/89/16/629198916.db2.gz DGWSUDWSAYATEI-UHFFFAOYSA-N -1 1 293.269 2.614 20 10 CFCDMM O=C(NCc1ccccc1Cl)c1c([O-])c(O)ccc1F ZINC000789942535 629198970 /nfs/dbraw/zinc/19/89/70/629198970.db2.gz UGBGCGIFCFIHFS-UHFFFAOYSA-N -1 1 295.697 2.820 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccnc(Cl)c1Cl ZINC000791435256 629315277 /nfs/dbraw/zinc/31/52/77/629315277.db2.gz RBONRRKKBLQBLT-HYXAFXHYSA-N -1 1 291.184 2.877 20 10 CFCDMM CC[C@@H](C)CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000803876702 630650112 /nfs/dbraw/zinc/65/01/12/630650112.db2.gz DQGWUIMEKJFJLE-SNVBAGLBSA-N -1 1 280.320 2.650 20 10 CFCDMM Cc1nccnc1NCc1cccc(Br)c1[O-] ZINC000811839890 631630197 /nfs/dbraw/zinc/63/01/97/631630197.db2.gz HFNUAOKUKXFWTD-UHFFFAOYSA-N -1 1 294.152 2.865 20 10 CFCDMM CCCC[C@](C)(F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000849845293 633741111 /nfs/dbraw/zinc/74/11/11/633741111.db2.gz CTGUBEBELRNZFQ-HNNXBMFYSA-N -1 1 298.310 2.742 20 10 CFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCC(F)CC1 ZINC000857329496 635966116 /nfs/dbraw/zinc/96/61/16/635966116.db2.gz UYNONCPDSBAVKC-IDKOKCKLSA-N -1 1 299.317 2.884 20 10 CFCDMM O=[N+]([O-])c1ccc([O-])c(CNc2ccc3c[nH]nc3c2)c1 ZINC000864034366 637837985 /nfs/dbraw/zinc/83/79/85/637837985.db2.gz GRGRDRVCAHQADC-UHFFFAOYSA-N -1 1 284.275 2.789 20 10 CFCDMM CC[C@@H](NCc1nonc1C)c1cccc(Cl)c1[O-] ZINC000872137750 641665917 /nfs/dbraw/zinc/66/59/17/641665917.db2.gz WEOHIXMPEIQADT-LLVKDONJSA-N -1 1 281.743 2.978 20 10 CFCDMM [O-]c1c(CN2CCc3c(O)cccc3C2)ccc(F)c1F ZINC000877658833 643438537 /nfs/dbraw/zinc/43/85/37/643438537.db2.gz YJTCMSYGJWTGFJ-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM C[C@@]1(F)CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508804 778394893 /nfs/dbraw/zinc/39/48/93/778394893.db2.gz MAMWCAFAPZTUAG-CYBMUJFWSA-N -1 1 259.271 2.994 20 10 CFCDMM C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485161 770721796 /nfs/dbraw/zinc/72/17/96/770721796.db2.gz RSISGEGPUXGISE-NXEZZACHSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C(=O)[O-] ZINC000693485161 770721802 /nfs/dbraw/zinc/72/18/02/770721802.db2.gz RSISGEGPUXGISE-NXEZZACHSA-N -1 1 283.755 2.588 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c([O-])c1 ZINC001231447176 777221914 /nfs/dbraw/zinc/22/19/14/777221914.db2.gz OTLMIUVHUSRPOE-STQMWFEESA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001231447174 777221924 /nfs/dbraw/zinc/22/19/24/777221924.db2.gz OTLMIUVHUSRPOE-CHWSQXEVSA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001231448771 777222193 /nfs/dbraw/zinc/22/21/93/777222193.db2.gz BBQGDYHHYJMATP-DGCLKSJQSA-N -1 1 275.348 2.712 20 10 CFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001231448771 777222200 /nfs/dbraw/zinc/22/22/00/777222200.db2.gz BBQGDYHHYJMATP-DGCLKSJQSA-N -1 1 275.348 2.712 20 10 CFCDMM COc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231452166 777222892 /nfs/dbraw/zinc/22/28/92/777222892.db2.gz FTAHOEPCKJKCLL-UHFFFAOYSA-N -1 1 299.326 2.615 20 10 CFCDMM CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454561 777223089 /nfs/dbraw/zinc/22/30/89/777223089.db2.gz GXGJYPXYOGPTLM-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454561 777223095 /nfs/dbraw/zinc/22/30/95/777223095.db2.gz GXGJYPXYOGPTLM-LLVKDONJSA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453945 777223233 /nfs/dbraw/zinc/22/32/33/777223233.db2.gz MGNXMKQALDLKLQ-PHIMTYICSA-N -1 1 263.337 2.568 20 10 CFCDMM C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453945 777223240 /nfs/dbraw/zinc/22/32/40/777223240.db2.gz MGNXMKQALDLKLQ-PHIMTYICSA-N -1 1 263.337 2.568 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1CCc2cccnc2C1 ZINC001231912832 777379730 /nfs/dbraw/zinc/37/97/30/777379730.db2.gz AFNOJENBNXSQKQ-UHFFFAOYSA-N -1 1 274.751 2.999 20 10 CFCDMM [O-]c1c(CN2CC3(C2)C[C@H](F)CS3)ccc(F)c1F ZINC001233078407 777788672 /nfs/dbraw/zinc/78/86/72/777788672.db2.gz VBCSKTXNDXFMDD-VIFPVBQESA-N -1 1 289.322 2.700 20 10 CFCDMM [O-]c1c(CN2CC(F)(F)C2)cccc1C(F)(F)F ZINC001233416061 777942422 /nfs/dbraw/zinc/94/24/22/777942422.db2.gz VCHJRLBTSQQSFE-UHFFFAOYSA-N -1 1 267.197 2.862 20 10 CFCDMM C[C@@H]1CC(=O)CCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416050 777943178 /nfs/dbraw/zinc/94/31/78/777943178.db2.gz UMLZWYHZWBFNCT-SECBINFHSA-N -1 1 287.281 2.964 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)COCC ZINC001233496763 777969048 /nfs/dbraw/zinc/96/90/48/777969048.db2.gz IBOYCXNNVQKZDM-SNVBAGLBSA-N -1 1 282.336 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CC2(COC2)C1 ZINC001233497040 777969255 /nfs/dbraw/zinc/96/92/55/777969255.db2.gz LTFIPBXMWNDCJB-UHFFFAOYSA-N -1 1 292.331 2.638 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H](O)[C@@H](F)C1 ZINC001236793651 778938450 /nfs/dbraw/zinc/93/84/50/778938450.db2.gz MSVVKLPCZWWQSD-WDEREUQCSA-N -1 1 294.153 2.604 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCn2cncc2C1 ZINC001236799225 778942635 /nfs/dbraw/zinc/94/26/35/778942635.db2.gz MLRWAOVWJXNHBY-UHFFFAOYSA-N -1 1 298.173 2.911 20 10 CFCDMM O=C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@H]1F ZINC001236799613 778942847 /nfs/dbraw/zinc/94/28/47/778942847.db2.gz QCSRXECZBFXQHU-JTQLQIEISA-N -1 1 292.137 2.812 20 10 CFCDMM Cc1nc(CC[N@@H+](C)Cc2c([O-])ccc(F)c2Cl)no1 ZINC001237121263 779017626 /nfs/dbraw/zinc/01/76/26/779017626.db2.gz AJUWEMMOWFAELN-UHFFFAOYSA-N -1 1 299.733 2.551 20 10 CFCDMM O=C1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@H]1F ZINC001237121371 779017838 /nfs/dbraw/zinc/01/78/38/779017838.db2.gz LJOBJTBVAUDZAL-SECBINFHSA-N -1 1 289.709 2.688 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2ncncc2C1 ZINC001237125877 779019010 /nfs/dbraw/zinc/01/90/10/779019010.db2.gz HAFSIVVSDFAVHT-UHFFFAOYSA-N -1 1 293.729 2.533 20 10 CFCDMM CN(Cc1ncccn1)Cc1c([O-])ccc(F)c1Cl ZINC001237122086 779020354 /nfs/dbraw/zinc/02/03/54/779020354.db2.gz RRVQEBLKCDLQHU-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2OCC[C@H]21 ZINC001237801330 779181235 /nfs/dbraw/zinc/18/12/35/779181235.db2.gz QXTVGNVAPARCJA-VXGBXAGGSA-N -1 1 271.719 2.548 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2ncncc2C1 ZINC001237937633 779211588 /nfs/dbraw/zinc/21/15/88/779211588.db2.gz SEUDHYJQTIBJGD-UHFFFAOYSA-N -1 1 293.729 2.533 20 10 CFCDMM O=C1CCCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H]1F ZINC001237935087 779212113 /nfs/dbraw/zinc/21/21/13/779212113.db2.gz QERFJGYARXFDFG-LLVKDONJSA-N -1 1 289.709 2.688 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccnc1 ZINC001234474893 779233498 /nfs/dbraw/zinc/23/34/98/779233498.db2.gz YSARVBNMBXULHB-SNVBAGLBSA-N -1 1 273.288 2.835 20 10 CFCDMM C[C@@H]1CC(=O)CCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122428 779664765 /nfs/dbraw/zinc/66/47/65/779664765.db2.gz UYXCCOSPLNAVSD-MRVPVSSYSA-N -1 1 271.719 2.738 20 10 CFCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCO1 ZINC000037323536 372663937 /nfs/dbraw/zinc/66/39/37/372663937.db2.gz OBSUOCRUJJWDIO-ZDUSSCGKSA-N -1 1 297.782 2.859 20 10 CFCDMM O=C(NCC1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000296325133 381348383 /nfs/dbraw/zinc/34/83/83/381348383.db2.gz HGKJEDMUJUTCLP-UHFFFAOYSA-N -1 1 267.300 2.547 20 10 CFCDMM CCOC(=O)[C@H]1CCCCC[N@H+]1Cc1ccccc1O ZINC000371465880 381633852 /nfs/dbraw/zinc/63/38/52/381633852.db2.gz IWTMRIKMGQOBCR-CQSZACIVSA-N -1 1 277.364 2.700 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(OCC2CC2)cc1 ZINC000190220427 382657191 /nfs/dbraw/zinc/65/71/91/382657191.db2.gz OUOMDWXOJIDKAE-KPKJPENVSA-N -1 1 291.397 2.964 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC(C)(C)C2)c1[O-] ZINC000037328976 173129430 /nfs/dbraw/zinc/12/94/30/173129430.db2.gz YUQWUDRFXQWTLH-UHFFFAOYSA-N -1 1 297.782 2.859 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2CCOCC2(C)C)c1[O-] ZINC000048945886 518279872 /nfs/dbraw/zinc/27/98/72/518279872.db2.gz HXEHJLSOEZJYTQ-UHFFFAOYSA-N -1 1 297.782 2.859 20 10 CFCDMM C/C=C(\C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277628615 518481948 /nfs/dbraw/zinc/48/19/48/518481948.db2.gz WZZXIZSEBXBXQI-FPYGCLRLSA-N -1 1 284.153 2.737 20 10 CFCDMM CC(C)C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276561517 519272068 /nfs/dbraw/zinc/27/20/68/519272068.db2.gz JBQZFQXIPMMXQT-JTQLQIEISA-N -1 1 281.327 2.745 20 10 CFCDMM CCOC(=O)[C@H](NCc1cccc(F)c1[O-])[C@H](C)CC ZINC000276484989 521271254 /nfs/dbraw/zinc/27/12/54/521271254.db2.gz OZAXZUBZGVMKOF-ZWNOBZJWSA-N -1 1 283.343 2.599 20 10 CFCDMM CCN(Cc1cccc(F)c1[O-])CC(F)(F)F ZINC000160204237 521350096 /nfs/dbraw/zinc/35/00/96/521350096.db2.gz GGHYPKYKMLILER-UHFFFAOYSA-N -1 1 251.223 2.916 20 10 CFCDMM O=C(CC1CCC1)NCc1cccc(Br)c1[O-] ZINC000277628611 526350883 /nfs/dbraw/zinc/35/08/83/526350883.db2.gz WZXZTVRCUSONRZ-UHFFFAOYSA-N -1 1 298.180 2.961 20 10 CFCDMM COC(=O)c1cc(CN(C)Cc2ccccc2O)c(C)o1 ZINC000731842776 574130402 /nfs/dbraw/zinc/13/04/02/574130402.db2.gz BIDOSHKIDZEAOA-UHFFFAOYSA-N -1 1 289.331 2.712 20 10 CFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1SC ZINC000746340633 574146534 /nfs/dbraw/zinc/14/65/34/574146534.db2.gz OINJKXYABCEJDK-UXBLZVDNSA-N -1 1 297.426 2.906 20 10 CFCDMM O=C([O-])NC1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000834163161 606010554 /nfs/dbraw/zinc/01/05/54/606010554.db2.gz IGOAJAASYROPMI-UHFFFAOYSA-N -1 1 298.770 2.714 20 10 CFCDMM C[C@@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CCC1=O ZINC000890760398 617838001 /nfs/dbraw/zinc/83/80/01/617838001.db2.gz QSSYECHSDPPMKP-ZJUUUORDSA-N -1 1 295.766 2.667 20 10 CFCDMM CC(C)[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760536 617838387 /nfs/dbraw/zinc/83/83/87/617838387.db2.gz SKPNPHBALXLJNY-SECBINFHSA-N -1 1 255.745 2.954 20 10 CFCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])n1cccn1 ZINC000890761506 617841261 /nfs/dbraw/zinc/84/12/61/617841261.db2.gz UHYGHEGWKFLZLX-JTQLQIEISA-N -1 1 293.754 2.510 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC1(Cl)Cl ZINC000890757908 617835964 /nfs/dbraw/zinc/83/59/64/617835964.db2.gz MZDIPSLQEGLHAO-ZETCQYMHSA-N -1 1 294.565 2.856 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000890763619 617844068 /nfs/dbraw/zinc/84/40/68/617844068.db2.gz YZLSYQIEPMJVEA-JWSAXSAHSA-N -1 1 291.778 2.954 20 10 CFCDMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(C2CCCC2)n1 ZINC000901415852 620811810 /nfs/dbraw/zinc/81/18/10/620811810.db2.gz AUVYJLYDMMWEDA-POHAHGRESA-N -1 1 293.417 2.567 20 10 CFCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000182406070 625295558 /nfs/dbraw/zinc/29/55/58/625295558.db2.gz UJAFMWYAHYYBOC-UHFFFAOYSA-N -1 1 281.308 2.641 20 10 CFCDMM CC(C)(F)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000896078403 619665327 /nfs/dbraw/zinc/66/53/27/619665327.db2.gz KJFQDBFBHQHFHL-UHFFFAOYSA-N -1 1 274.723 2.593 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC12CCC2 ZINC000896319378 619717308 /nfs/dbraw/zinc/71/73/08/619717308.db2.gz SDWWEKJPCXPOFU-NSHDSACASA-N -1 1 280.755 2.787 20 10 CFCDMM C[C@H]1C[C@H]1c1nnc(NCc2cc(F)cc(F)c2[O-])o1 ZINC000905417668 621764318 /nfs/dbraw/zinc/76/43/18/621764318.db2.gz CLEVBSZCQQHJDL-IMTBSYHQSA-N -1 1 281.262 2.789 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])OCC1CC1 ZINC000908326720 622220081 /nfs/dbraw/zinc/22/00/81/622220081.db2.gz CSTDIIZIAUKLBI-UHFFFAOYSA-N -1 1 255.701 2.682 20 10 CFCDMM C[C@@H]1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825529267 623709372 /nfs/dbraw/zinc/70/93/72/623709372.db2.gz FIBCLSAANKCPGX-ZJUUUORDSA-N -1 1 281.327 2.793 20 10 CFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCCCC1 ZINC000826062604 623788750 /nfs/dbraw/zinc/78/87/50/623788750.db2.gz BIYOJEITYJTWQV-VIFPVBQESA-N -1 1 281.327 2.936 20 10 CFCDMM C[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829902454 624578847 /nfs/dbraw/zinc/57/88/47/624578847.db2.gz GHNUXLGZXXHFHF-NXEZZACHSA-N -1 1 281.327 2.936 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1nc2ccc(F)cc2s1 ZINC000761375979 626829876 /nfs/dbraw/zinc/82/98/76/626829876.db2.gz LNRNBHWOQVANKL-XBXARRHUSA-N -1 1 296.373 2.924 20 10 CFCDMM CN(Cc1cnn(C)c1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644499 628049563 /nfs/dbraw/zinc/04/95/63/628049563.db2.gz LNYGCQDVJSABLO-UHFFFAOYSA-N -1 1 283.734 2.550 20 10 CFCDMM CCC/C(C)=C/C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783179626 628682164 /nfs/dbraw/zinc/68/21/64/628682164.db2.gz VKFDKVCSWBVIDQ-JXMROGBWSA-N -1 1 278.304 2.570 20 10 CFCDMM CCC(C)(C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783948415 628757004 /nfs/dbraw/zinc/75/70/04/628757004.db2.gz VLMOWXXDRZNSJZ-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM C[C@H]1CCC[C@@H]1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784753448 628841296 /nfs/dbraw/zinc/84/12/96/628841296.db2.gz HLYCNMGRPNLVCN-WDEREUQCSA-N -1 1 292.331 2.650 20 10 CFCDMM C[C@@H](CC(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784788205 628842426 /nfs/dbraw/zinc/84/24/26/628842426.db2.gz RDKWFEMDWIBVBS-JTQLQIEISA-N -1 1 294.347 2.896 20 10 CFCDMM O=C(NCCCc1ccccc1)c1c([O-])c(O)ccc1F ZINC000789942518 629199230 /nfs/dbraw/zinc/19/92/30/629199230.db2.gz SNTQNPXXBOJGNV-UHFFFAOYSA-N -1 1 289.306 2.600 20 10 CFCDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000789954870 629199640 /nfs/dbraw/zinc/19/96/40/629199640.db2.gz OIPXOADKYJTHMW-UHFFFAOYSA-N -1 1 289.306 2.784 20 10 CFCDMM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1c(F)ccc(O)c1[O-] ZINC000789987768 629202200 /nfs/dbraw/zinc/20/22/00/629202200.db2.gz VUSWMQMCVRUKIJ-ZYHUDNBSSA-N -1 1 293.338 2.936 20 10 CFCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(Cl)c1 ZINC000796980464 629999246 /nfs/dbraw/zinc/99/92/46/629999246.db2.gz DVCTZEXAUADRNO-RUDMXATFSA-N -1 1 285.777 2.837 20 10 CFCDMM CC[C@H]1CCC[C@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000837854387 631143250 /nfs/dbraw/zinc/14/32/50/631143250.db2.gz ZFYPBVYBOJOZIX-CMPLNLGQSA-N -1 1 292.331 2.650 20 10 CFCDMM CCc1noc(NCc2cccc(Br)c2[O-])n1 ZINC000814257581 632047697 /nfs/dbraw/zinc/04/76/97/632047697.db2.gz OZGZXDRTAPIWCA-UHFFFAOYSA-N -1 1 298.140 2.712 20 10 CFCDMM Cc1cc(Br)c(O)c(C[N@H+](C)CCF)c1 ZINC000816640413 632500164 /nfs/dbraw/zinc/50/01/64/632500164.db2.gz HRPLBCWVNLFHRO-UHFFFAOYSA-N -1 1 276.149 2.864 20 10 CFCDMM Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817881162 632716926 /nfs/dbraw/zinc/71/69/26/632716926.db2.gz GSWBCWHDKDOHHR-SKDRFNHKSA-N -1 1 297.782 2.897 20 10 CFCDMM C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H]1C(=O)[O-] ZINC000818631038 632885115 /nfs/dbraw/zinc/88/51/15/632885115.db2.gz AIRJIBNMBZJJHQ-SKDRFNHKSA-N -1 1 283.755 2.731 20 10 CFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCC1 ZINC000848640074 633305632 /nfs/dbraw/zinc/30/56/32/633305632.db2.gz NGOZPSYUJJLTEW-UHFFFAOYSA-N -1 1 287.718 2.624 20 10 CFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(C2CCC2)CC1 ZINC000857309954 635963654 /nfs/dbraw/zinc/96/36/54/635963654.db2.gz VJXWKHMXRZVLDY-UHFFFAOYSA-N -1 1 293.338 2.889 20 10 CFCDMM CCn1cc(CN(C)Cc2ccc(F)c(F)c2[O-])cn1 ZINC000876741111 642989007 /nfs/dbraw/zinc/98/90/07/642989007.db2.gz LVEOASLBTIGUFV-UHFFFAOYSA-N -1 1 281.306 2.519 20 10 CFCDMM CCc1cc(CNCc2ccc(F)c(F)c2[O-])on1 ZINC000876874897 643045092 /nfs/dbraw/zinc/04/50/92/643045092.db2.gz NLUHCOIYUBZNHU-UHFFFAOYSA-N -1 1 268.263 2.511 20 10 CFCDMM CCn1ccnc1[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877571232 643369757 /nfs/dbraw/zinc/36/97/57/643369757.db2.gz ZMSDEYYYDWGPGH-VIFPVBQESA-N -1 1 281.306 2.738 20 10 CFCDMM [O-]c1c(F)c(F)ccc1CN1CC(Cc2ccco2)C1 ZINC000877654848 643435742 /nfs/dbraw/zinc/43/57/42/643435742.db2.gz WTWYPZZCRNYIEW-UHFFFAOYSA-N -1 1 279.286 2.938 20 10 CFCDMM Cc1ccc2c(c1)C(=O)N[C@H](c1cccc(F)c1[O-])N2 ZINC000877862654 643611482 /nfs/dbraw/zinc/61/14/82/643611482.db2.gz MEFLWBUOTXBAHI-CQSZACIVSA-N -1 1 272.279 2.694 20 10 CFCDMM CCc1cc(NCc2cc(F)cc(F)c2[O-])n(C)n1 ZINC000883035827 645574189 /nfs/dbraw/zinc/57/41/89/645574189.db2.gz QKIMNSDOJRHKBJ-UHFFFAOYSA-N -1 1 267.279 2.578 20 10 CFCDMM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1csnn1 ZINC000398264674 776143964 /nfs/dbraw/zinc/14/39/64/776143964.db2.gz GKDDBNFRGYTKBX-JGVFFNPUSA-N -1 1 267.329 2.795 20 10 CFCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1O)CC(C)C ZINC001231455029 777223309 /nfs/dbraw/zinc/22/33/09/777223309.db2.gz UYGXGDGSLGJDKA-UHFFFAOYSA-N -1 1 265.353 2.958 20 10 CFCDMM CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)C ZINC001231455029 777223315 /nfs/dbraw/zinc/22/33/15/777223315.db2.gz UYGXGDGSLGJDKA-UHFFFAOYSA-N -1 1 265.353 2.958 20 10 CFCDMM CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC(C)C ZINC001231455029 777223322 /nfs/dbraw/zinc/22/33/22/777223322.db2.gz UYGXGDGSLGJDKA-UHFFFAOYSA-N -1 1 265.353 2.958 20 10 CFCDMM CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1O ZINC001231454791 777223676 /nfs/dbraw/zinc/22/36/76/777223676.db2.gz JIOKMWPQOBMGOO-CYBMUJFWSA-N -1 1 263.337 2.855 20 10 CFCDMM CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454791 777223684 /nfs/dbraw/zinc/22/36/84/777223684.db2.gz JIOKMWPQOBMGOO-CYBMUJFWSA-N -1 1 263.337 2.855 20 10 CFCDMM CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454791 777223694 /nfs/dbraw/zinc/22/36/94/777223694.db2.gz JIOKMWPQOBMGOO-CYBMUJFWSA-N -1 1 263.337 2.855 20 10 CFCDMM [O-]c1c(F)ccc(CN2CCc3cccc(O)c3C2)c1F ZINC001232937432 777726130 /nfs/dbraw/zinc/72/61/30/777726130.db2.gz OCAGGFXEXCCHJM-UHFFFAOYSA-N -1 1 291.297 2.934 20 10 CFCDMM Cc1cnc2c(c1)CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233078679 777789830 /nfs/dbraw/zinc/78/98/30/777789830.db2.gz DYZKSLZEQBDZQW-UHFFFAOYSA-N -1 1 290.313 2.932 20 10 CFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2ncsc2C1 ZINC001233335574 777897266 /nfs/dbraw/zinc/89/72/66/777897266.db2.gz BXCSKZCMUKXKAG-UHFFFAOYSA-N -1 1 268.288 2.643 20 10 CFCDMM CCOC1CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416174 777943638 /nfs/dbraw/zinc/94/36/38/777943638.db2.gz YOQOFCDJDKYFIT-UHFFFAOYSA-N -1 1 275.270 2.632 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1ccccn1 ZINC001234473380 778233648 /nfs/dbraw/zinc/23/36/48/778233648.db2.gz FRFPMDMOWACURU-JTQLQIEISA-N -1 1 273.288 2.835 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CCC1 ZINC001234474309 778233864 /nfs/dbraw/zinc/23/38/64/778233864.db2.gz QYLLIIHHJSAMDM-VIFPVBQESA-N -1 1 250.294 2.868 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCC(F)(F)C1 ZINC001234475078 778234200 /nfs/dbraw/zinc/23/42/00/778234200.db2.gz CVNLCGGVXITOGO-QMMMGPOBSA-N -1 1 272.247 2.867 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1cccnc1F ZINC001234478138 778235317 /nfs/dbraw/zinc/23/53/17/778235317.db2.gz XXNNDQNWTFGBOK-SECBINFHSA-N -1 1 291.278 2.975 20 10 CFCDMM COC1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794623 778939300 /nfs/dbraw/zinc/93/93/00/778939300.db2.gz TUCGTNHARDEDPW-UHFFFAOYSA-N -1 1 262.136 2.530 20 10 CFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@](F)(CO)C1 ZINC001236793604 778939271 /nfs/dbraw/zinc/93/92/71/778939271.db2.gz MBBFIUOSLAGOOL-LBPRGKRZSA-N -1 1 294.153 2.605 20 10 CFCDMM COc1ccc(CN2CCSCC2)c([O-])c1Cl ZINC001236802239 778944764 /nfs/dbraw/zinc/94/47/64/778944764.db2.gz PUFQBHWJODQJNL-UHFFFAOYSA-N -1 1 273.785 2.603 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@@H]2C[C@@H]21 ZINC001237083326 779008546 /nfs/dbraw/zinc/00/85/46/779008546.db2.gz BVHMNJQCWPOIKK-GXSJLCMTSA-N -1 1 274.147 2.672 20 10 CFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCO[C@H]2C[C@H]21 ZINC001237083329 779009182 /nfs/dbraw/zinc/00/91/82/779009182.db2.gz BVHMNJQCWPOIKK-KOLCDFICSA-N -1 1 274.147 2.672 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001237121391 779017159 /nfs/dbraw/zinc/01/71/59/779017159.db2.gz MAQPRTNMBBOAPV-DTORHVGOSA-N -1 1 271.719 2.548 20 10 CFCDMM C[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CCC1=O ZINC001237121389 779017818 /nfs/dbraw/zinc/01/78/18/779017818.db2.gz MAQFJWWAWSMSFG-SECBINFHSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001237129105 779021024 /nfs/dbraw/zinc/02/10/24/779021024.db2.gz UYROXPAADCKQBW-RKDXNWHRSA-N -1 1 271.719 2.548 20 10 CFCDMM CC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622702 779146917 /nfs/dbraw/zinc/14/69/17/779146917.db2.gz WXUJYKNHESJXHO-JTQLQIEISA-N -1 1 285.746 2.986 20 10 CFCDMM C[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CCC1=O ZINC001237935209 779210623 /nfs/dbraw/zinc/21/06/23/779210623.db2.gz RNKFAUWFZNZJLX-SECBINFHSA-N -1 1 285.746 2.986 20 10 CFCDMM CN(Cc1cc(F)c(Cl)cc1[O-])Cc1ncccn1 ZINC001237935584 779211966 /nfs/dbraw/zinc/21/19/66/779211966.db2.gz WEHOTXGFOQPMKG-UHFFFAOYSA-N -1 1 281.718 2.607 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCOC[C@H]1C1CC1 ZINC001237940346 779212135 /nfs/dbraw/zinc/21/21/35/779212135.db2.gz JQUTTXHSZJFGGJ-ZDUSSCGKSA-N -1 1 285.746 2.796 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)c1cccnc1 ZINC001234474892 779233534 /nfs/dbraw/zinc/23/35/34/779233534.db2.gz YSARVBNMBXULHB-JTQLQIEISA-N -1 1 273.288 2.835 20 10 CFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccsn1 ZINC001128704461 780736078 /nfs/dbraw/zinc/73/60/78/780736078.db2.gz LKSVLBNBSPERHG-UHFFFAOYSA-N -1 1 280.696 2.585 20 10 CFCDMM [O-]c1cccc(F)c1CN1CC(Oc2ccccc2)C1 ZINC001137837677 781141084 /nfs/dbraw/zinc/14/10/84/781141084.db2.gz QRLXJNOPDUZWHO-UHFFFAOYSA-N -1 1 273.307 2.795 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](O)C1 ZINC000271008254 385300565 /nfs/dbraw/zinc/30/05/65/385300565.db2.gz OLHAOZOZCUCCNB-SNVBAGLBSA-N -1 1 276.163 2.656 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC[C@@H]2C)c1[O-] ZINC000218350156 518278044 /nfs/dbraw/zinc/27/80/44/518278044.db2.gz VFBAMTPUIHBTBJ-UWVGGRQHSA-N -1 1 297.782 2.857 20 10 CFCDMM CC(C)=CC(=O)NCc1cccc(Br)c1[O-] ZINC000277451594 519397604 /nfs/dbraw/zinc/39/76/04/519397604.db2.gz GEKZOMLPAGXXRH-UHFFFAOYSA-N -1 1 284.153 2.737 20 10 CFCDMM CC(C)C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276561521 519412879 /nfs/dbraw/zinc/41/28/79/519412879.db2.gz JBQZFQXIPMMXQT-SNVBAGLBSA-N -1 1 281.327 2.745 20 10 CFCDMM CS[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276647267 525905578 /nfs/dbraw/zinc/90/55/78/525905578.db2.gz VZRIMCDWNQDUET-BDAKNGLRSA-N -1 1 299.367 2.641 20 10 CFCDMM Cc1nc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000756433783 574236550 /nfs/dbraw/zinc/23/65/50/574236550.db2.gz HLKWHEJUQVLLSQ-QMMMGPOBSA-N -1 1 293.348 2.916 20 10 CFCDMM O=C(NC[C@@]12C[C@@H]1CCCC2)c1c(F)ccc(O)c1[O-] ZINC000900207868 620650345 /nfs/dbraw/zinc/65/03/45/620650345.db2.gz WIDIIBYDEFVQAO-BJOHPYRUSA-N -1 1 279.311 2.547 20 10 CFCDMM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000086747970 604556776 /nfs/dbraw/zinc/55/67/76/604556776.db2.gz AGDHYHHJUIHWIQ-UHFFFAOYSA-N -1 1 292.162 2.994 20 10 CFCDMM O=C([O-])NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834222219 605556950 /nfs/dbraw/zinc/55/69/50/605556950.db2.gz XVOHOMXPGUVYEH-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000834222219 605556952 /nfs/dbraw/zinc/55/69/52/605556952.db2.gz XVOHOMXPGUVYEH-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM O=C(CC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890757448 617834939 /nfs/dbraw/zinc/83/49/39/617834939.db2.gz DQUZNFMPESUJGL-UHFFFAOYSA-N -1 1 267.634 2.614 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])C1=CCCC1 ZINC000890760080 617837299 /nfs/dbraw/zinc/83/72/99/617837299.db2.gz HDMKGRREZDEWBA-UHFFFAOYSA-N -1 1 251.713 2.772 20 10 CFCDMM CC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890760164 617837360 /nfs/dbraw/zinc/83/73/60/617837360.db2.gz KIGARYLBHZFJMO-UHFFFAOYSA-N -1 1 253.729 2.852 20 10 CFCDMM CC(=O)CC1(C(=O)NCc2cccc(Cl)c2[O-])CCC1 ZINC000890759939 617837962 /nfs/dbraw/zinc/83/79/62/617837962.db2.gz WOTRPGBHLYPPGC-UHFFFAOYSA-N -1 1 295.766 2.811 20 10 CFCDMM CC(C)SCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757369 617834672 /nfs/dbraw/zinc/83/46/72/617834672.db2.gz CBVUNXVRERKKKB-UHFFFAOYSA-N -1 1 273.785 2.803 20 10 CFCDMM CCn1nc(C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758305 617835392 /nfs/dbraw/zinc/83/53/92/617835392.db2.gz VCKLAOSCULRZTI-UHFFFAOYSA-N -1 1 293.754 2.500 20 10 CFCDMM CCc1cccc(F)c1C=C1SC(=S)[N-]C1=O ZINC000794867345 618464867 /nfs/dbraw/zinc/46/48/67/618464867.db2.gz WLDWUYDDMHIYQB-UXBLZVDNSA-N -1 1 267.350 2.877 20 10 CFCDMM CS[C@H](C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893799758 619220814 /nfs/dbraw/zinc/22/08/14/619220814.db2.gz MOGBPEHVDMSWIO-MRVPVSSYSA-N -1 1 288.800 2.596 20 10 CFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC000148634897 620251544 /nfs/dbraw/zinc/25/15/44/620251544.db2.gz DDPZVMONAMXCMF-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(C2CC2)nn1 ZINC000905413226 621762353 /nfs/dbraw/zinc/76/23/53/621762353.db2.gz KWIZUMOWMAFFMM-UHFFFAOYSA-N -1 1 277.274 2.950 20 10 CFCDMM O=C(N[C@H]1CC2CCC1CC2)c1c([O-])c(O)ccc1F ZINC000832838367 625532285 /nfs/dbraw/zinc/53/22/85/625532285.db2.gz UBJUDYPNJDSUPC-AMUVOQDHSA-N -1 1 279.311 2.545 20 10 CFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]2C2CC2)c1[O-] ZINC000824649065 623539085 /nfs/dbraw/zinc/53/90/85/623539085.db2.gz AXYSEOXUNJMFOD-NSHDSACASA-N -1 1 282.727 2.938 20 10 CFCDMM COC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H](C)O1 ZINC000825634202 623727429 /nfs/dbraw/zinc/72/74/29/623727429.db2.gz JPIQMMOVNXQEPB-DGCLKSJQSA-N -1 1 299.798 2.590 20 10 CFCDMM COC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@H](C)O1 ZINC000825634194 623727734 /nfs/dbraw/zinc/72/77/34/623727734.db2.gz JPIQMMOVNXQEPB-AAEUAGOBSA-N -1 1 299.798 2.590 20 10 CFCDMM CC1(C)CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000827678378 624062150 /nfs/dbraw/zinc/06/21/50/624062150.db2.gz CYNXSBZSBHBXFG-MRVPVSSYSA-N -1 1 267.300 2.545 20 10 CFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(F)c1 ZINC000181626216 625197598 /nfs/dbraw/zinc/19/75/98/625197598.db2.gz PZPPZNRMZPICAA-UHFFFAOYSA-N -1 1 299.298 2.780 20 10 CFCDMM CC[C@@H](CC(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838254038 626491008 /nfs/dbraw/zinc/49/10/08/626491008.db2.gz WPQDITFVTKPROG-NSHDSACASA-N -1 1 294.347 2.896 20 10 CFCDMM CN(C)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767294655 627242784 /nfs/dbraw/zinc/24/27/84/627242784.db2.gz HBHLKBUHCNKDSE-UHFFFAOYSA-N -1 1 288.322 2.527 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1nc2c(s1)CCCC2 ZINC000776264053 628123809 /nfs/dbraw/zinc/12/38/09/628123809.db2.gz VJWPKIQAWIRKPQ-YVMONPNESA-N -1 1 282.415 2.511 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1cc(F)cc(Cl)c1 ZINC000776722548 628170946 /nfs/dbraw/zinc/17/09/46/628170946.db2.gz SMUUCCWRBVSMTH-BAQGIRSFSA-N -1 1 273.741 2.968 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1ccc2cnccc2c1 ZINC000779221144 628360957 /nfs/dbraw/zinc/36/09/57/628360957.db2.gz OTXAJMZOTONQRE-WDZFZDKYSA-N -1 1 272.354 2.724 20 10 CFCDMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)c(O)c1O ZINC000780994644 628511801 /nfs/dbraw/zinc/51/18/01/628511801.db2.gz VCBLBBSVVJKRPV-UHFFFAOYSA-N -1 1 277.251 2.503 20 10 CFCDMM CCC[C@@H](C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783321124 628699792 /nfs/dbraw/zinc/69/97/92/628699792.db2.gz DBSRWEKSKPUKNJ-SNVBAGLBSA-N -1 1 280.320 2.650 20 10 CFCDMM CCC(CC)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784116393 628779100 /nfs/dbraw/zinc/77/91/00/628779100.db2.gz GIIAKOVOUTYLDZ-UHFFFAOYSA-N -1 1 280.320 2.650 20 10 CFCDMM C/C(=C\C(C)(C)C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784802863 628843036 /nfs/dbraw/zinc/84/30/36/628843036.db2.gz YWHRMWQSMVWPGX-CSKARUKUSA-N -1 1 292.331 2.816 20 10 CFCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)nn1C ZINC000790983678 629277365 /nfs/dbraw/zinc/27/73/65/629277365.db2.gz UNTVYIOZYUJFQF-UHFFFAOYSA-N -1 1 269.707 2.839 20 10 CFCDMM C[C@H]1C[C@H](C)N1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793220227 629507781 /nfs/dbraw/zinc/50/77/81/629507781.db2.gz LZSNYICUXLSQQU-YUMQZZPRSA-N -1 1 270.716 2.937 20 10 CFCDMM CCN(Cc1occc1C)C(=O)c1c([O-])c(O)ccc1F ZINC000839883274 630321778 /nfs/dbraw/zinc/32/17/78/630321778.db2.gz FHOSQBGFNNRYGS-UHFFFAOYSA-N -1 1 293.294 2.801 20 10 CFCDMM CC[C@@H]1CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814179616 632024978 /nfs/dbraw/zinc/02/49/78/632024978.db2.gz WIUOVNMIKMROLB-SNVBAGLBSA-N -1 1 270.716 2.938 20 10 CFCDMM CC(C)(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C1CC1 ZINC000815469235 632278200 /nfs/dbraw/zinc/27/82/00/632278200.db2.gz CPRSSYKGKINVBZ-UHFFFAOYSA-N -1 1 292.331 2.650 20 10 CFCDMM Cn1ccnc1C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816564804 632484960 /nfs/dbraw/zinc/48/49/60/632484960.db2.gz QPJCSYDVYIMFHO-UHFFFAOYSA-N -1 1 281.359 2.911 20 10 CFCDMM O=C([O-])C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC000848640426 633307080 /nfs/dbraw/zinc/30/70/80/633307080.db2.gz RSGHADUGHSVLPE-UHFFFAOYSA-N -1 1 287.718 2.624 20 10 CFCDMM O=C([O-])[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CCC1 ZINC000854248538 635271904 /nfs/dbraw/zinc/27/19/04/635271904.db2.gz XIYVLSAWXOMHAN-GFCCVEGCSA-N -1 1 283.755 2.636 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C(=O)[O-] ZINC000859815737 636706848 /nfs/dbraw/zinc/70/68/48/636706848.db2.gz RSFUSXRUSXMKCV-GXSJLCMTSA-N -1 1 283.755 2.588 20 10 CFCDMM O=C(NC[C@H]1CCCC12CC2)c1c(F)ccc(O)c1[O-] ZINC000863945608 637820085 /nfs/dbraw/zinc/82/00/85/637820085.db2.gz KZRVEZRBWYVGCS-SECBINFHSA-N -1 1 279.311 2.547 20 10 CFCDMM [O-]c1c(F)c(F)ccc1CNCc1nccn1C(F)F ZINC000876981096 643091604 /nfs/dbraw/zinc/09/16/04/643091604.db2.gz RFPNHUZNILVREJ-UHFFFAOYSA-N -1 1 289.232 2.552 20 10 CFCDMM CCc1nocc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000877552179 643351867 /nfs/dbraw/zinc/35/18/67/643351867.db2.gz LRJJJVZECUUJSM-UHFFFAOYSA-N -1 1 282.290 2.853 20 10 CFCDMM Cc1ccc2c(c1)C(=O)N[C@@H](c1cccc(F)c1[O-])N2 ZINC000877862653 643611536 /nfs/dbraw/zinc/61/15/36/643611536.db2.gz MEFLWBUOTXBAHI-AWEZNQCLSA-N -1 1 272.279 2.694 20 10 CFCDMM C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000126871345 643705956 /nfs/dbraw/zinc/70/59/56/643705956.db2.gz GONMVFISQSHVCE-AOOOYVTPSA-N -1 1 255.745 2.655 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1cc(F)c(F)cc1F ZINC000128671650 644852405 /nfs/dbraw/zinc/85/24/05/644852405.db2.gz OZTBRHZLLFROOB-KRXBUXKQSA-N -1 1 275.276 2.593 20 10 CFCDMM Cn1nc(NCc2cc(F)cc(F)c2[O-])cc1C1CC1 ZINC000883122022 645611778 /nfs/dbraw/zinc/61/17/78/645611778.db2.gz YTYABMYWLUNERP-UHFFFAOYSA-N -1 1 279.290 2.893 20 10 CFCDMM CC(C)C[C@H]1C(=O)N[C@@H](c2cc(Cl)ccc2[O-])N1C ZINC000887332632 647275606 /nfs/dbraw/zinc/27/56/06/647275606.db2.gz JNCDDKLVFHTIMR-WCQYABFASA-N -1 1 282.771 2.521 20 10 CFCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(CCO)c1 ZINC000708440377 775203693 /nfs/dbraw/zinc/20/36/93/775203693.db2.gz AAVLVPAENCUIHW-UHFFFAOYSA-N -1 1 279.286 2.817 20 10 CFCDMM CC(C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228115753 776399752 /nfs/dbraw/zinc/39/97/52/776399752.db2.gz QJUHUNRJVPDLFN-UHFFFAOYSA-N -1 1 288.299 2.822 20 10 CFCDMM C[C@H]1CCCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446116 777221050 /nfs/dbraw/zinc/22/10/50/777221050.db2.gz DMKHZPYYNDQPSV-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM C[C@H]1CCCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231446116 777221052 /nfs/dbraw/zinc/22/10/52/777221052.db2.gz DMKHZPYYNDQPSV-NSHDSACASA-N -1 1 263.337 2.712 20 10 CFCDMM CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)C ZINC001231567115 777260604 /nfs/dbraw/zinc/26/06/04/777260604.db2.gz VNYDZBVSLDPFEN-UHFFFAOYSA-N -1 1 265.353 2.958 20 10 CFCDMM CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC(C)C ZINC001231567115 777260608 /nfs/dbraw/zinc/26/06/08/777260608.db2.gz VNYDZBVSLDPFEN-UHFFFAOYSA-N -1 1 265.353 2.958 20 10 CFCDMM [O-]c1c(Cl)cccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001231911003 777362289 /nfs/dbraw/zinc/36/22/89/777362289.db2.gz YEDZPQBHLAOXDV-NHCYSSNCSA-N -1 1 255.720 2.835 20 10 CFCDMM [O-]c1c(CN2CCc3cnccc3C2)ccc(F)c1F ZINC001233074833 777787216 /nfs/dbraw/zinc/78/72/16/777787216.db2.gz XVVOWGVIYIZFDE-UHFFFAOYSA-N -1 1 276.286 2.624 20 10 CFCDMM [O-]c1c(CN2CCCC[C@H](F)C2)ccc(F)c1F ZINC001233073671 777788421 /nfs/dbraw/zinc/78/84/21/777788421.db2.gz BTJAMRGZJZVHRT-JTQLQIEISA-N -1 1 259.271 2.994 20 10 CFCDMM CCOC(=O)[C@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233335174 777892931 /nfs/dbraw/zinc/89/29/31/777892931.db2.gz KGMRIRVMBSKXTN-GFCCVEGCSA-N -1 1 299.317 2.588 20 10 CFCDMM Oc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001233332757 777895220 /nfs/dbraw/zinc/89/52/20/777895220.db2.gz WRIBAVTTXMABEI-HZMBPMFUSA-N -1 1 283.318 2.671 20 10 CFCDMM CC(=O)[C@H]1CCCCN1Cc1c([O-])ccc(F)c1F ZINC001233336023 777897287 /nfs/dbraw/zinc/89/72/87/777897287.db2.gz VQFOONRTCZUHOH-GFCCVEGCSA-N -1 1 269.291 2.614 20 10 CFCDMM [O-]c1c(CN2CC[C@H](F)C2)cccc1C(F)(F)F ZINC001233415731 777943739 /nfs/dbraw/zinc/94/37/39/777943739.db2.gz GXXPBPJRVSVFOT-VIFPVBQESA-N -1 1 263.234 2.955 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCC[C@@H]1F ZINC001234475358 778233435 /nfs/dbraw/zinc/23/34/35/778233435.db2.gz GGCLGXCPAGNUOZ-GXFFZTMASA-N -1 1 268.284 2.960 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)c1ncccc1F ZINC001234475343 778233591 /nfs/dbraw/zinc/23/35/91/778233591.db2.gz FUQKIQKLCJKLSH-SECBINFHSA-N -1 1 291.278 2.975 20 10 CFCDMM C[C@H]1CCN1Cc1cc(Br)cc(F)c1[O-] ZINC001235057771 778368783 /nfs/dbraw/zinc/36/87/83/778368783.db2.gz SQCKETVIAYUYSS-ZETCQYMHSA-N -1 1 274.133 2.888 20 10 CFCDMM C[C@]1(F)CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1F ZINC001142509117 778395542 /nfs/dbraw/zinc/39/55/42/778395542.db2.gz XGTPDWGEADFLCZ-STQMWFEESA-N -1 1 277.261 2.942 20 10 CFCDMM COC(=O)[C@H](C)N(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795495 779638890 /nfs/dbraw/zinc/63/88/90/779638890.db2.gz FHDYWYNDVOMEDE-ZETCQYMHSA-N -1 1 292.162 2.692 20 10 CFCDMM C[C@H](NCc1ccc(F)c(F)c1[O-])c1cscn1 ZINC000703286717 781003683 /nfs/dbraw/zinc/00/36/83/781003683.db2.gz PXTSOEFKVCUWHA-ZETCQYMHSA-N -1 1 270.304 2.978 20 10 CFCDMM CCc1cnc(CNCc2ccc(F)c(F)c2[O-])s1 ZINC000703330047 781006146 /nfs/dbraw/zinc/00/61/46/781006146.db2.gz UWYSOHBPWBOBPF-UHFFFAOYSA-N -1 1 284.331 2.979 20 10 CFCDMM CCc1nnc(NCc2cc(F)cc(F)c2[O-])s1 ZINC000708465888 781276042 /nfs/dbraw/zinc/27/60/42/781276042.db2.gz LDCMSWCAWQBBKK-UHFFFAOYSA-N -1 1 271.292 2.696 20 10 CFCDMM CC(C)[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000709031052 781288269 /nfs/dbraw/zinc/28/82/69/781288269.db2.gz SNRDDNFUJXZFCS-ZDUSSCGKSA-N -1 1 269.772 2.902 20 10 CFCDMM COC(=O)CN(Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000180499206 291082043 /nfs/dbraw/zinc/08/20/43/291082043.db2.gz WTPSSLBKQXUGGN-UHFFFAOYSA-N -1 1 297.782 2.963 20 10 CFCDMM CCC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295141278 382577894 /nfs/dbraw/zinc/57/78/94/382577894.db2.gz OPKWHZMAKTUPMK-SNVBAGLBSA-N -1 1 281.327 2.889 20 10 CFCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)C(F)(F)F)c1 ZINC000287138722 385787794 /nfs/dbraw/zinc/78/77/94/385787794.db2.gz ANAVEWDYJMVGCE-YUMQZZPRSA-N -1 1 291.269 2.780 20 10 CFCDMM O=C([O-])N1CCC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000740512912 574252554 /nfs/dbraw/zinc/25/25/54/574252554.db2.gz QTDODEBPPWLQIX-SNVBAGLBSA-N -1 1 298.770 2.525 20 10 CFCDMM C[C@@H](NCc1ncccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756769426 574261312 /nfs/dbraw/zinc/26/13/12/574261312.db2.gz QPFWUVLPBDICDK-SECBINFHSA-N -1 1 291.282 2.685 20 10 CFCDMM CC(C)=CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736343370 574364276 /nfs/dbraw/zinc/36/42/76/574364276.db2.gz FYBBPBJEXGEULR-UHFFFAOYSA-N -1 1 283.755 2.898 20 10 CFCDMM CC(C)=CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736343370 574364277 /nfs/dbraw/zinc/36/42/77/574364277.db2.gz FYBBPBJEXGEULR-UHFFFAOYSA-N -1 1 283.755 2.898 20 10 CFCDMM Cc1cc(Br)c([O-])c(CN2CC(F)C2)c1 ZINC000753576422 574405195 /nfs/dbraw/zinc/40/51/95/574405195.db2.gz MYRGESMCZYYEJH-UHFFFAOYSA-N -1 1 274.133 2.617 20 10 CFCDMM CC(C)(C)C[C@H](O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759176 617836648 /nfs/dbraw/zinc/83/66/48/617836648.db2.gz FSCLLIZXIFNFHQ-LLVKDONJSA-N -1 1 299.798 2.849 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCSC1 ZINC000890759354 617836846 /nfs/dbraw/zinc/83/68/46/617836846.db2.gz KCFSBOMHXGOIOM-JTQLQIEISA-N -1 1 285.796 2.805 20 10 CFCDMM C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759713 617836862 /nfs/dbraw/zinc/83/68/62/617836862.db2.gz PEJJUNUVAFKVDO-NXEZZACHSA-N -1 1 295.766 2.667 20 10 CFCDMM COC[C@H](C)[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760075 617837184 /nfs/dbraw/zinc/83/71/84/617837184.db2.gz ZXPGZBYXIREMRG-VHSXEESVSA-N -1 1 285.771 2.580 20 10 CFCDMM CSCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760538 617838236 /nfs/dbraw/zinc/83/82/36/617838236.db2.gz SKYWOMFBGQOYEL-UHFFFAOYSA-N -1 1 273.785 2.805 20 10 CFCDMM CO[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759874 617839062 /nfs/dbraw/zinc/83/90/62/617839062.db2.gz TWVAVKFDGKSXDF-ZYHUDNBSSA-N -1 1 297.782 2.867 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625798 618717557 /nfs/dbraw/zinc/71/75/57/618717557.db2.gz UEFQCLPGPBHIAL-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[N@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625798 618717559 /nfs/dbraw/zinc/71/75/59/618717559.db2.gz UEFQCLPGPBHIAL-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM C[C@H]1C[N@@H+](Cc2c([O-])cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000311625798 618717562 /nfs/dbraw/zinc/71/75/62/618717562.db2.gz UEFQCLPGPBHIAL-VHSXEESVSA-N -1 1 283.755 2.588 20 10 CFCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000182412516 618895491 /nfs/dbraw/zinc/89/54/91/618895491.db2.gz DBLTWSZQGWGBIH-UHFFFAOYSA-N -1 1 281.308 2.641 20 10 CFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1C=CCC1 ZINC000896418207 619733075 /nfs/dbraw/zinc/73/30/75/619733075.db2.gz KYPCQAZVRLPHMB-JTQLQIEISA-N -1 1 280.755 2.811 20 10 CFCDMM CC(C)(C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000899462474 620571729 /nfs/dbraw/zinc/57/17/29/620571729.db2.gz HTZAUYOSQNDREY-UHFFFAOYSA-N -1 1 256.733 2.643 20 10 CFCDMM Cn1ccnc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000071140805 625464738 /nfs/dbraw/zinc/46/47/38/625464738.db2.gz XTQYNPTZPUBELS-UHFFFAOYSA-N -1 1 286.162 2.722 20 10 CFCDMM CCCc1ncc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000825085015 623625621 /nfs/dbraw/zinc/62/56/21/623625621.db2.gz INHLTFOWTNEOLL-UHFFFAOYSA-N -1 1 291.307 2.531 20 10 CFCDMM O=C(CC1CCCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591201 624258185 /nfs/dbraw/zinc/25/81/85/624258185.db2.gz BBTPHURGDCPPIA-UHFFFAOYSA-N -1 1 292.331 2.794 20 10 CFCDMM COc1cc(C)c(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000916663190 624271884 /nfs/dbraw/zinc/27/18/84/624271884.db2.gz ASQDTHVKALDQAT-WDZFZDKYSA-N -1 1 295.385 2.501 20 10 CFCDMM CC(=O)c1cc(Cl)cc(CN(C(C)C)C2COC2)c1[O-] ZINC000830217303 624673548 /nfs/dbraw/zinc/67/35/48/624673548.db2.gz GMQUQHOQQHZXCL-UHFFFAOYSA-N -1 1 297.782 2.857 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C/c1ccccc1OCC1CC1 ZINC000920388044 624718526 /nfs/dbraw/zinc/71/85/26/624718526.db2.gz UQRVNLKZDQZPPF-KPKJPENVSA-N -1 1 291.397 2.964 20 10 CFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000170841713 624946991 /nfs/dbraw/zinc/94/69/91/624946991.db2.gz NVLUSBHUSBREEN-UHFFFAOYSA-N -1 1 297.354 2.923 20 10 CFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000170841713 624946992 /nfs/dbraw/zinc/94/69/92/624946992.db2.gz NVLUSBHUSBREEN-UHFFFAOYSA-N -1 1 297.354 2.923 20 10 CFCDMM Cc1csc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000069168299 625057526 /nfs/dbraw/zinc/05/75/26/625057526.db2.gz KHSZZDBDEMGRBV-SECBINFHSA-N -1 1 293.348 2.916 20 10 CFCDMM CC[C@@H](N[C@@H](C)c1cc(C(=O)OC)ccc1[O-])C(F)F ZINC000834826991 625885227 /nfs/dbraw/zinc/88/52/27/625885227.db2.gz HCCDGVSVPPACHL-GZMMTYOYSA-N -1 1 287.306 2.873 20 10 CFCDMM C[C@H](C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000086807759 626418902 /nfs/dbraw/zinc/41/89/02/626418902.db2.gz QTZICDPGRJANCB-SSDOTTSWSA-N -1 1 292.162 2.852 20 10 CFCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)cnc1Cl ZINC000760211735 626720104 /nfs/dbraw/zinc/72/01/04/626720104.db2.gz PPORJGBQPAYAJQ-CLTKARDFSA-N -1 1 270.766 2.532 20 10 CFCDMM O=C(CC1=CCCCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783528544 628717650 /nfs/dbraw/zinc/71/76/50/628717650.db2.gz KHEOZXIMMOTEHD-UHFFFAOYSA-N -1 1 290.315 2.714 20 10 CFCDMM C/C(=C\C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000783925870 628756049 /nfs/dbraw/zinc/75/60/49/628756049.db2.gz AWKRDTAMRZXEJO-JXMROGBWSA-N -1 1 292.331 2.816 20 10 CFCDMM [O-]c1c(Cl)cccc1CNc1ccc(CO)cn1 ZINC000788830673 629103469 /nfs/dbraw/zinc/10/34/69/629103469.db2.gz FICUMERPHZVSAD-UHFFFAOYSA-N -1 1 264.712 2.545 20 10 CFCDMM C[C@@H]1CCCC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789943016 629198952 /nfs/dbraw/zinc/19/89/52/629198952.db2.gz YFLSPICVOMOGLV-PSASIEDQSA-N -1 1 267.300 2.545 20 10 CFCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cccc(F)c1[O-] ZINC000840828676 631233264 /nfs/dbraw/zinc/23/32/64/631233264.db2.gz OXAROYLBUKSTPT-ZDUSSCGKSA-N -1 1 294.370 2.786 20 10 CFCDMM CCC[N@@H+](CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl ZINC000840911930 631260955 /nfs/dbraw/zinc/26/09/55/631260955.db2.gz UWDKFMRYSGGQOK-UHFFFAOYSA-N -1 1 298.814 2.654 20 10 CFCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(F)c1[O-] ZINC000840997738 631297692 /nfs/dbraw/zinc/29/76/92/631297692.db2.gz IXUFURXMBXEXDL-BPNCWPANSA-N -1 1 293.338 2.749 20 10 CFCDMM [O-]c1cc(F)c(Cl)cc1CN1CCCc2n[nH]cc21 ZINC000816594213 632491805 /nfs/dbraw/zinc/49/18/05/632491805.db2.gz UDNDRHJPHILPSY-UHFFFAOYSA-N -1 1 281.718 2.861 20 10 CFCDMM Cc1cn(C)nc1NCc1c([O-])ccc(Cl)c1F ZINC000850420329 633985503 /nfs/dbraw/zinc/98/55/03/633985503.db2.gz NIHGSNZIMBNOJH-UHFFFAOYSA-N -1 1 269.707 2.839 20 10 CFCDMM O=C1[N-]C(=S)S/C1=C\c1coc(-c2ccccc2)n1 ZINC000109707383 634184985 /nfs/dbraw/zinc/18/49/85/634184985.db2.gz QNWYCGBLIFTXII-POHAHGRESA-N -1 1 288.353 2.830 20 10 CFCDMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(F)ccc(O)c1[O-] ZINC000857335009 635966974 /nfs/dbraw/zinc/96/69/74/635966974.db2.gz OZUYCQTVGFVSPJ-PBINXNQUSA-N -1 1 279.311 2.640 20 10 CFCDMM CC[C@H](NCc1nonc1C)c1cccc(Cl)c1[O-] ZINC000872137751 641666497 /nfs/dbraw/zinc/66/64/97/641666497.db2.gz WEOHIXMPEIQADT-NSHDSACASA-N -1 1 281.743 2.978 20 10 CFCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])CC(F)F ZINC000881539024 645031021 /nfs/dbraw/zinc/03/10/21/645031021.db2.gz IDHFFDUTWZONCO-UHFFFAOYSA-N -1 1 291.269 2.648 20 10 CFCDMM O=C(NCc1ccccc1O)c1ccc(Cl)cc1[O-] ZINC000133796401 646229481 /nfs/dbraw/zinc/22/94/81/646229481.db2.gz FVIMHVUHXDABKN-UHFFFAOYSA-N -1 1 277.707 2.681 20 10 CFCDMM [O-]c1cc(O)c(CN2C[C@@H](F)C[C@H]2CF)cc1Cl ZINC001232259477 777496422 /nfs/dbraw/zinc/49/64/22/777496422.db2.gz JNNIJFONANFRFH-IUCAKERBSA-N -1 1 277.698 2.633 20 10 CFCDMM C[C@H]1C[C@@H](CF)N(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233074164 777787662 /nfs/dbraw/zinc/78/76/62/777787662.db2.gz JBNLHTAIQOWYLV-WPRPVWTQSA-N -1 1 259.271 2.850 20 10 CFCDMM CN(Cc1c([O-])ccc(F)c1F)CC(F)(F)F ZINC001233332122 777889052 /nfs/dbraw/zinc/88/90/52/777889052.db2.gz ZMCSUFUKTBGMBP-UHFFFAOYSA-N -1 1 255.186 2.665 20 10 CFCDMM C[N@@H+](Cc1c(O)ccc(F)c1F)C[C@H]1CCCCO1 ZINC001233334361 777894680 /nfs/dbraw/zinc/89/46/80/777894680.db2.gz CSSPQHMFWNBBRM-SNVBAGLBSA-N -1 1 271.307 2.671 20 10 CFCDMM O=C1CCN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001233418344 777942945 /nfs/dbraw/zinc/94/29/45/777942945.db2.gz CMEVKWGDZJPAGB-JTQLQIEISA-N -1 1 291.244 2.524 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCOC[C@@H]1C ZINC001233495953 777968375 /nfs/dbraw/zinc/96/83/75/777968375.db2.gz OAYDRSADZPYJLR-BONVTDFDSA-N -1 1 294.347 2.884 20 10 CFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCOC[C@H]1C ZINC001233495954 777968820 /nfs/dbraw/zinc/96/88/20/777968820.db2.gz OAYDRSADZPYJLR-MEBBXXQBSA-N -1 1 294.347 2.884 20 10 CFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](C)C1 ZINC001234474727 778234026 /nfs/dbraw/zinc/23/40/26/778234026.db2.gz WOIUYFKCQAHHHN-WPRPVWTQSA-N -1 1 250.294 2.868 20 10 CFCDMM CC1(CO)CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794947 778940592 /nfs/dbraw/zinc/94/05/92/778940592.db2.gz XIKLQABTKVZLTO-UHFFFAOYSA-N -1 1 276.163 2.513 20 10 CFCDMM COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c([O-])c1Cl ZINC001236804375 778944579 /nfs/dbraw/zinc/94/45/79/778944579.db2.gz YNBYLVUXTRHYOA-SCZZXKLOSA-N -1 1 273.735 2.844 20 10 CFCDMM O=C1CN(Cc2c([O-])ccc(F)c2Cl)CCC[C@H]1F ZINC001237122139 779019066 /nfs/dbraw/zinc/01/90/66/779019066.db2.gz SIUMFEYHTZKXNV-SECBINFHSA-N -1 1 289.709 2.688 20 10 CFCDMM CCOC(=O)CN(CC)Cc1c([O-])ccc(F)c1Cl ZINC001237131157 779022529 /nfs/dbraw/zinc/02/25/29/779022529.db2.gz UECJDBBMPMHRMD-UHFFFAOYSA-N -1 1 289.734 2.570 20 10 CFCDMM CC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622703 779147299 /nfs/dbraw/zinc/14/72/99/779147299.db2.gz WXUJYKNHESJXHO-SNVBAGLBSA-N -1 1 285.746 2.986 20 10 CFCDMM [O-]c1c(Cl)cc(F)cc1CN1CC2(C1)CCOCC2 ZINC001237814433 779186815 /nfs/dbraw/zinc/18/68/15/779186815.db2.gz RGUJQTYIXVAVPM-UHFFFAOYSA-N -1 1 285.746 2.797 20 10 CFCDMM [O-]c1cc(Cl)c(F)cc1CN(C1CC1)C1COC1 ZINC001237948703 779214748 /nfs/dbraw/zinc/21/47/48/779214748.db2.gz GUHJAXVBRKGVLN-UHFFFAOYSA-N -1 1 271.719 2.548 20 10 CFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@@H](O)C2(CC2)C1 ZINC000375289911 382075942 /nfs/dbraw/zinc/07/59/42/382075942.db2.gz YSJYWVZHBTUAAC-LLVKDONJSA-N -1 1 288.174 2.656 20 10 CFCDMM Oc1ccc(F)cc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000293834262 382298100 /nfs/dbraw/zinc/29/81/00/382298100.db2.gz ATOYIUZVQQTRAT-HZPDHXFCSA-N -1 1 277.339 2.675 20 10 CFCDMM