smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[n-]c(Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000000935705 1128102518 /nfs/dbraw/zinc/10/25/18/1128102518.db2.gz MABCDXAXWQHDRY-UHFFFAOYSA-N -1 1 292.342 3.566 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1Cl ZINC000006449841 170202212 /nfs/dbraw/zinc/20/22/12/170202212.db2.gz DZZHJMDPTFVSJC-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM O=C(Nc1cccc(Cl)c1Cl)c1ccccc1[O-] ZINC000006668520 170224412 /nfs/dbraw/zinc/22/44/12/170224412.db2.gz VWBJONZJHGUDPA-UHFFFAOYSA-N -1 1 282.126 3.951 50 0 CHAAMM CCn1c(=S)[n-]nc1-c1csc2c1CC[C@H](C)C2 ZINC000006711026 170231160 /nfs/dbraw/zinc/23/11/60/170231160.db2.gz UYBKIDBXIWDHQS-QMMMGPOBSA-N -1 1 279.434 3.814 50 0 CHAAMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007050656 170264350 /nfs/dbraw/zinc/26/43/50/170264350.db2.gz DDWPEYDSJKFNOC-UHFFFAOYSA-N -1 1 295.791 3.703 50 0 CHAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000007056365 170265058 /nfs/dbraw/zinc/26/50/58/170265058.db2.gz JELFSRWJCGXEON-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000007056366 170265170 /nfs/dbraw/zinc/26/51/70/170265170.db2.gz PMFDSNNGWFRLOT-UHFFFAOYSA-N -1 1 289.400 3.721 50 0 CHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000007405625 170283257 /nfs/dbraw/zinc/28/32/57/170283257.db2.gz PPUJSITWDVYSIP-UHFFFAOYSA-N -1 1 293.363 3.552 50 0 CHAAMM Cc1ccc([C@H]2C[C@H]2c2n[n-]c(=S)n2C2CC2)cc1 ZINC000008550530 170339736 /nfs/dbraw/zinc/33/97/36/170339736.db2.gz BDGOPDFGPRSPQM-CHWSQXEVSA-N -1 1 271.389 3.855 50 0 CHAAMM Cc1ccc([C@@H]2C[C@@H]2c2n[n-]c(=S)n2C2CC2)cc1 ZINC000008550462 170339923 /nfs/dbraw/zinc/33/99/23/170339923.db2.gz BDGOPDFGPRSPQM-STQMWFEESA-N -1 1 271.389 3.855 50 0 CHAAMM CCCCCCc1c(C)c2c([O-])cc(O)cc2oc1=O ZINC000008764791 170354781 /nfs/dbraw/zinc/35/47/81/170354781.db2.gz ITHCYOPLUFBMGC-UHFFFAOYSA-N -1 1 276.332 3.635 50 0 biogenic CHAAMM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000020464135 171209302 /nfs/dbraw/zinc/20/93/02/171209302.db2.gz GQTKYUCWOKKEMI-UHFFFAOYSA-N -1 1 278.311 3.985 50 0 CHAAMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000037362104 173151457 /nfs/dbraw/zinc/15/14/57/173151457.db2.gz DHWQRWLBQISUPU-LBPRGKRZSA-N -1 1 288.174 3.605 50 0 CHAAMM CCCCc1n[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000013597540 567892834 /nfs/dbraw/zinc/89/28/34/567892834.db2.gz YJAPOVLCWSXABC-UHFFFAOYSA-N -1 1 281.812 3.985 50 0 CHAAMM O=C1[N-]C(=O)C(=Cc2ccc3oc4ccccc4c3c2)S1 ZINC000003627954 567853021 /nfs/dbraw/zinc/85/30/21/567853021.db2.gz DJDKKCWXOMLADB-RIYZIHGNSA-N -1 1 295.319 3.910 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1c(O)ccc2ccccc21 ZINC000017021979 567874653 /nfs/dbraw/zinc/87/46/53/567874653.db2.gz FCDWTZXDSQZIES-GHXNOFRVSA-N -1 1 287.365 3.875 50 0 CHAAMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1n[n-]c(=S)n1C ZINC000017022781 567874673 /nfs/dbraw/zinc/87/46/73/567874673.db2.gz JGNUIOGFUDACOT-SNVBAGLBSA-N -1 1 291.420 3.915 50 0 CHAAMM Cc1ccc(Nc2nc(C)c(CCC(C)C)c(=O)[n-]2)cc1 ZINC000018222926 567877085 /nfs/dbraw/zinc/87/70/85/567877085.db2.gz ZKCFFNGKQYWOFP-UHFFFAOYSA-N -1 1 285.391 3.719 50 0 CHAAMM C[C@@H]1CCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000000406403 567936133 /nfs/dbraw/zinc/93/61/33/567936133.db2.gz YUNWSDXUWCBDSN-GFCCVEGCSA-N -1 1 267.328 3.546 50 0 CHAAMM CC(C)(C)c1cc(C(=O)c2ccccc2)c([O-])cc1O ZINC000000404170 169631668 /nfs/dbraw/zinc/63/16/68/169631668.db2.gz HSYUVRRTSSSDJI-UHFFFAOYSA-N -1 1 270.328 3.626 50 0 CHAAMM Cc1cc(=O)[n-]c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000005625857 170121713 /nfs/dbraw/zinc/12/17/13/170121713.db2.gz RLZPXBCDQPLQKO-UHFFFAOYSA-N -1 1 293.326 3.614 50 0 CHAAMM CCCCc1c([O-])[nH]c2cc(Cl)c(Cl)cc2c1=O ZINC000005807080 170141461 /nfs/dbraw/zinc/14/14/61/170141461.db2.gz HPKKSTXALNKAOB-UHFFFAOYSA-N -1 1 286.158 3.883 50 0 CHAAMM Cc1n[n-]c(=S)n1C(c1ccccc1)c1ccccc1 ZINC000037376844 173165745 /nfs/dbraw/zinc/16/57/45/173165745.db2.gz JYQALGAWVFNVLH-UHFFFAOYSA-N -1 1 281.384 3.887 50 0 CHAAMM COc1cccc(-c2noc([N-]c3ccc(F)cc3)n2)c1 ZINC000071928081 176302015 /nfs/dbraw/zinc/30/20/15/176302015.db2.gz OHTBWSDETPSKNX-UHFFFAOYSA-N -1 1 285.278 3.628 50 0 CHAAMM Cc1ccc(Cl)c(O[C@@H](C)c2n[n-]c(=S)n2C)c1 ZINC000002526658 567847893 /nfs/dbraw/zinc/84/78/93/567847893.db2.gz VEICWCJHSJKSGH-QMMMGPOBSA-N -1 1 283.784 3.580 50 0 CHAAMM CCc1cc(=O)[n-]c(SCc2cccc3ccccc32)n1 ZINC000013115378 567116792 /nfs/dbraw/zinc/11/67/92/567116792.db2.gz CEEKRLCASLUHNE-UHFFFAOYSA-N -1 1 296.395 3.778 50 0 CHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000101269 567818309 /nfs/dbraw/zinc/81/83/09/567818309.db2.gz MOARWRMTEQRKDP-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM O=c1cc(CSc2ccccc2)c2ccc([O-])cc2o1 ZINC000000127661 567819177 /nfs/dbraw/zinc/81/91/77/567819177.db2.gz ARIWKXMOXGLFME-UHFFFAOYSA-N -1 1 284.336 3.791 50 0 CHAAMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000272492 567823528 /nfs/dbraw/zinc/82/35/28/567823528.db2.gz ISILYLLKWCOBKN-UHFFFAOYSA-N -1 1 293.413 3.518 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000346889 567825882 /nfs/dbraw/zinc/82/58/82/567825882.db2.gz AXLRNMNUUKKOLP-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccccc1 ZINC000001233227 567836300 /nfs/dbraw/zinc/83/63/00/567836300.db2.gz XDNYJBFMZAMPSW-UHFFFAOYSA-N -1 1 283.352 3.641 50 0 CHAAMM CC(C)Oc1ccccc1C=C1SC(=S)[N-]C1=O ZINC000002536801 567847761 /nfs/dbraw/zinc/84/77/61/567847761.db2.gz BBIHLIJOGGGVLQ-YRNVUSSQSA-N -1 1 279.386 3.803 50 0 CHAAMM Cc1cc2nc([N-]c3nc4ccc[nH]c-4n3)sc2cc1C ZINC000004567262 567858012 /nfs/dbraw/zinc/85/80/12/567858012.db2.gz ZPHMJLBWAIFCDQ-UHFFFAOYSA-N -1 1 295.371 3.928 50 0 CHAAMM Cc1ccccc1CSc1nc(C(C)(C)C)cc(=O)[n-]1 ZINC000015986881 567871677 /nfs/dbraw/zinc/87/16/77/567871677.db2.gz DVRUZKGETQPAEY-UHFFFAOYSA-N -1 1 288.416 3.668 50 0 CHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c(C)c1 ZINC000000196851 567924991 /nfs/dbraw/zinc/92/49/91/567924991.db2.gz IKYBILYWXSZYSH-UHFFFAOYSA-N -1 1 293.363 3.552 50 0 CHAAMM O=c1[n-]c(Nc2cccc3ccccc32)nc2c1CCCC2 ZINC000011903477 567928614 /nfs/dbraw/zinc/92/86/14/567928614.db2.gz RWJQZYRWUJPPJK-UHFFFAOYSA-N -1 1 291.354 3.546 50 0 CHAAMM CC[C@H](Oc1ccc(C)c(C)c1)c1n[n-]c(=S)n1C ZINC000017007857 570226780 /nfs/dbraw/zinc/22/67/80/570226780.db2.gz XPYAWRIBYVZZLX-LBPRGKRZSA-N -1 1 277.393 3.625 50 0 CHAAMM S=c1[n-]nc(CSCc2ccccc2)n1C1CC1 ZINC000017007866 570226783 /nfs/dbraw/zinc/22/67/83/570226783.db2.gz QCAOMBFSWZAQBE-UHFFFAOYSA-N -1 1 277.418 3.709 50 0 CHAAMM CCC[C@H](C)c1c([O-])nc(S[C@@H](C)CC)n(CC)c1=O ZINC000023115572 1119261880 /nfs/dbraw/zinc/26/18/80/1119261880.db2.gz ZECQTMNMLSFBRF-QWRGUYRKSA-N -1 1 298.452 3.763 50 0 CHAAMM Cc1cc(O[C@H](C)c2n[n-]c(=S)n2C)cc(C)c1Cl ZINC000002522233 169801971 /nfs/dbraw/zinc/80/19/71/169801971.db2.gz WPDKZGFYSUMDLJ-SECBINFHSA-N -1 1 297.811 3.888 50 0 CHAAMM CCCc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1 ZINC000005154807 170071079 /nfs/dbraw/zinc/07/10/79/170071079.db2.gz VNMVFKUUYKSLTM-UHFFFAOYSA-N -1 1 294.807 3.668 50 0 CHAAMM Fc1ccccc1-c1n[n-]c(=S)n1C1CCCC1 ZINC000006438578 170201457 /nfs/dbraw/zinc/20/14/57/170201457.db2.gz IFVZFPSTDOVDCF-UHFFFAOYSA-N -1 1 263.341 3.862 50 0 CHAAMM S=c1[n-]nc(C=Cc2ccc(Cl)cc2Cl)[nH]1 ZINC000006480316 170204296 /nfs/dbraw/zinc/20/42/96/170204296.db2.gz JIMGHSVNQRAMOL-DUXPYHPUSA-N -1 1 272.160 3.944 50 0 CHAAMM FC(F)(F)c1cc(Cl)ccc1Nc1n[n-]c(=S)[nH]1 ZINC000006505455 170207919 /nfs/dbraw/zinc/20/79/19/170207919.db2.gz DVLSCKJJHXCVNV-UHFFFAOYSA-N -1 1 294.689 3.883 50 0 CHAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007408995 170283491 /nfs/dbraw/zinc/28/34/91/170283491.db2.gz GSKZHKBISZALCY-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM CCCCCc1c(C)nc(Nc2ccc(C)cc2)[n-]c1=O ZINC000008969748 170359796 /nfs/dbraw/zinc/35/97/96/170359796.db2.gz BMVKAHIAELRMTJ-UHFFFAOYSA-N -1 1 285.391 3.863 50 0 CHAAMM Cc1cc(C(=O)[N-]c2ccccc2SC(F)F)on1 ZINC000027382255 567067440 /nfs/dbraw/zinc/06/74/40/567067440.db2.gz XHVUYBKBCDRAOJ-UHFFFAOYSA-N -1 1 284.287 3.550 50 0 CHAAMM O=C(Nc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000000120040 567818651 /nfs/dbraw/zinc/81/86/51/567818651.db2.gz JFGQHAHJWJBOPD-UHFFFAOYSA-N -1 1 263.296 3.798 50 0 CHAAMM O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1[O-] ZINC000000139684 567819972 /nfs/dbraw/zinc/81/99/72/567819972.db2.gz DEGBTUMOZWTMIR-UHFFFAOYSA-N -1 1 282.126 3.951 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000000243150 567822970 /nfs/dbraw/zinc/82/29/70/567822970.db2.gz HEXCXGXJELSYJW-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM CCn1c(=S)[n-]nc1-c1csc2c1CCCC2 ZINC000013111480 567864977 /nfs/dbraw/zinc/86/49/77/567864977.db2.gz HSOCTHYUPRPDNH-UHFFFAOYSA-N -1 1 265.407 3.568 50 0 CHAAMM Cc1cccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)c1 ZINC000017135525 567875008 /nfs/dbraw/zinc/87/50/08/567875008.db2.gz QERFYXRYNRCBRR-UHFFFAOYSA-N -1 1 292.298 3.695 50 0 CHAAMM CCCCCc1c(C)nc(N2CCc3ccccc32)[n-]c1=O ZINC000018266678 567877017 /nfs/dbraw/zinc/87/70/17/567877017.db2.gz JCRRRLPOWKNTDW-UHFFFAOYSA-N -1 1 297.402 3.505 50 0 CHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000239119 567925287 /nfs/dbraw/zinc/92/52/87/567925287.db2.gz XVYBNRFPCMXDQG-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM Cc1nc(-c2c(C)oc3cc(C)cc([O-])c3c2=O)cs1 ZINC000005923746 570325981 /nfs/dbraw/zinc/32/59/81/570325981.db2.gz YIVLAXRSYNLWMI-UHFFFAOYSA-N -1 1 287.340 3.547 50 0 CHAAMM C[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000004855813 170030991 /nfs/dbraw/zinc/03/09/91/170030991.db2.gz UWBIJOFDVTYYBS-LBPRGKRZSA-N -1 1 269.344 3.560 50 0 CHAAMM C[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000004855811 170031139 /nfs/dbraw/zinc/03/11/39/170031139.db2.gz UWBIJOFDVTYYBS-GFCCVEGCSA-N -1 1 269.344 3.560 50 0 CHAAMM S=c1[n-]nc(-c2ccco2)n1C/C=C/c1ccccc1 ZINC000005731357 170135130 /nfs/dbraw/zinc/13/51/30/170135130.db2.gz KYZPOHFQRBFCDI-XBXARRHUSA-N -1 1 283.356 3.914 50 0 CHAAMM Cc1cc([O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000006556532 170212679 /nfs/dbraw/zinc/21/26/79/170212679.db2.gz GZDMBGNCLPSXDC-UHFFFAOYSA-N -1 1 280.323 3.706 50 0 biogenic CHAAMM CSc1cn[n-]c(=S)c1SCc1ccccc1 ZINC000006556154 170212700 /nfs/dbraw/zinc/21/27/00/170212700.db2.gz COYNUBFDHBRLKC-UHFFFAOYSA-N -1 1 280.443 3.780 50 0 CHAAMM CCCCCc1c(C)nc(Nc2cccc(C)c2)[n-]c1=O ZINC000009015630 170361434 /nfs/dbraw/zinc/36/14/34/170361434.db2.gz CWNBYUFPJFDCGZ-UHFFFAOYSA-N -1 1 285.391 3.863 50 0 CHAAMM [O-]c1c(F)cc(F)cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000020201067 171064505 /nfs/dbraw/zinc/06/45/05/171064505.db2.gz QQAGQJRGALJSNH-UHFFFAOYSA-N -1 1 272.254 3.728 50 0 CHAAMM CN(Cc1ccsc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000013006234 566959211 /nfs/dbraw/zinc/95/92/11/566959211.db2.gz XVVLRQQFZQEHAR-UHFFFAOYSA-N -1 1 297.379 3.879 50 0 CHAAMM Cc1cccc(-c2cc([O-])cc3sc(=O)oc32)c1 ZINC000000180398 567821635 /nfs/dbraw/zinc/82/16/35/567821635.db2.gz PWAPRARLWYMFLU-UHFFFAOYSA-N -1 1 258.298 3.536 50 0 CHAAMM COC(=O)c1cc2oc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000000409421 567829571 /nfs/dbraw/zinc/82/95/71/567829571.db2.gz MCGNIWPQWGGHRS-UHFFFAOYSA-N -1 1 275.691 3.868 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1ccc(Cl)cc1 ZINC000001311506 567836756 /nfs/dbraw/zinc/83/67/56/567836756.db2.gz HIWUQEXWRIIIKB-VMPITWQZSA-N -1 1 255.751 3.669 50 0 CHAAMM O=C(c1ccccc1)c1c[n-]c2ccc(Cl)cc2c1=O ZINC000000248717 567925784 /nfs/dbraw/zinc/92/57/84/567925784.db2.gz GNAIZDNGZCOIKT-UHFFFAOYSA-N -1 1 283.714 3.825 50 0 CHAAMM O=C(c1ccccc1)c1cnc2ccc(Cl)cc2c1[O-] ZINC000000248717 567925786 /nfs/dbraw/zinc/92/57/86/567925786.db2.gz GNAIZDNGZCOIKT-UHFFFAOYSA-N -1 1 283.714 3.825 50 0 CHAAMM COCCn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000017957786 570289597 /nfs/dbraw/zinc/28/95/97/570289597.db2.gz KSFVFMHEWJQNHR-UHFFFAOYSA-N -1 1 291.420 3.552 50 0 CHAAMM CCC[C@@H](C)c1c([O-])nc(S[C@@H](C)CC)n(CC)c1=O ZINC000023115571 1119262316 /nfs/dbraw/zinc/26/23/16/1119262316.db2.gz ZECQTMNMLSFBRF-MNOVXSKESA-N -1 1 298.452 3.763 50 0 CHAAMM O=c1nc(-c2ccco2)[n-]c2scc(-c3ccco3)c21 ZINC000047682161 1120791942 /nfs/dbraw/zinc/79/19/42/1120791942.db2.gz XYFWFJUUFUVFQR-UHFFFAOYSA-N -1 1 284.296 3.505 50 0 CHAAMM Cc1cc(=O)[n-]c(SCc2cccc3ccccc32)n1 ZINC000002918399 169844276 /nfs/dbraw/zinc/84/42/76/169844276.db2.gz BTRPBSQRBUFFHP-UHFFFAOYSA-N -1 1 282.368 3.524 50 0 CHAAMM C[C@H]1CCCC[C@@H]1n1c(=S)[n-]nc1-c1cccnc1 ZINC000006383294 170196803 /nfs/dbraw/zinc/19/68/03/170196803.db2.gz PUJQPRBCIATNGV-JQWIXIFHSA-N -1 1 274.393 3.754 50 0 CHAAMM CC(C)c1ccc(O[C@H](C)c2n[n-]c(=S)n2C)cc1 ZINC000006390417 170197564 /nfs/dbraw/zinc/19/75/64/170197564.db2.gz ORCYKNXZCPJCCG-SNVBAGLBSA-N -1 1 277.393 3.741 50 0 CHAAMM O=c1[n-]c(-c2ccccc2)nc2c1Cc1cc(F)ccc1O2 ZINC000006748540 170239771 /nfs/dbraw/zinc/23/97/71/170239771.db2.gz DBESIGNWRMJTGZ-UHFFFAOYSA-N -1 1 294.285 3.685 50 0 CHAAMM Cc1ccc2c(n1)[n-]cc(C(=O)c1ccc(Cl)cc1)c2=O ZINC000006974074 170259826 /nfs/dbraw/zinc/25/98/26/170259826.db2.gz ORALSWAQXPYCAU-UHFFFAOYSA-N -1 1 298.729 3.528 50 0 CHAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1C ZINC000007053041 170264048 /nfs/dbraw/zinc/26/40/48/170264048.db2.gz PXDUZMBQPWKVBI-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccccc1Cl ZINC000017009094 170720839 /nfs/dbraw/zinc/72/08/39/170720839.db2.gz VBAIBNFUSIVKKB-MRVPVSSYSA-N -1 1 283.784 3.754 50 0 CHAAMM C[C@H](c1ccccc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000035306338 172120219 /nfs/dbraw/zinc/12/02/19/172120219.db2.gz KVXQGWAVRGHOLJ-LLVKDONJSA-N -1 1 299.399 3.590 50 0 CHAAMM Cc1cccc([N-]c2nc(-c3ccccc3)no2)c1 ZINC000071928156 176301976 /nfs/dbraw/zinc/30/19/76/176301976.db2.gz WQKZUOGUQISSLN-UHFFFAOYSA-N -1 1 251.289 3.789 50 0 CHAAMM CC(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000000380504 260000169 /nfs/dbraw/zinc/00/01/69/260000169.db2.gz VCZYQFUFMXBZFC-UHFFFAOYSA-N -1 1 296.326 3.795 50 0 CHAAMM O=C1[N-]C(=O)C(=Cc2ccc3oc4ccccc4c3c2)S1 ZINC000001444263 566892209 /nfs/dbraw/zinc/89/22/09/566892209.db2.gz DJDKKCWXOMLADB-ZSOIEALJSA-N -1 1 295.319 3.910 50 0 CHAAMM CC[C@H]([N-]c1nc(C(C)C)no1)c1nc(C)cs1 ZINC000170633606 567032469 /nfs/dbraw/zinc/03/24/69/567032469.db2.gz XAQYJVRTACZZLM-VIFPVBQESA-N -1 1 266.370 3.521 50 0 CHAAMM COc1ccc(-c2ncncc2-c2ccccc2)c([O-])c1 ZINC000013126701 567115663 /nfs/dbraw/zinc/11/56/63/567115663.db2.gz SNBGSXSYSDPFBZ-UHFFFAOYSA-N -1 1 278.311 3.525 50 0 CHAAMM O=C([O-])CCN1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000172074265 567197044 /nfs/dbraw/zinc/19/70/44/567197044.db2.gz IYRGAFDLTDZJAZ-LBPRGKRZSA-N -1 1 288.174 3.605 50 0 CHAAMM O=c1oc2c(cc([O-])cc2-c2cccc(Cl)c2)s1 ZINC000000137432 567819682 /nfs/dbraw/zinc/81/96/82/567819682.db2.gz VPTFYMNILPYFRK-UHFFFAOYSA-N -1 1 278.716 3.881 50 0 CHAAMM COC(=O)c1cc2oc(-c3ccc(C)cc3)cc2[n-]1 ZINC000000409420 567829698 /nfs/dbraw/zinc/82/96/98/567829698.db2.gz QPQWCUUXHVFTNM-UHFFFAOYSA-N -1 1 255.273 3.523 50 0 CHAAMM COc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O ZINC000002536809 567847904 /nfs/dbraw/zinc/84/79/04/567847904.db2.gz YCJQKTBKSKFQEJ-WEVVVXLNSA-N -1 1 285.777 3.678 50 0 CHAAMM CCCCCC(=O)c1c(O)cc(OC)c(Cl)c1[O-] ZINC000002563944 567848220 /nfs/dbraw/zinc/84/82/20/567848220.db2.gz JWBMZIJMSBFBIY-UHFFFAOYSA-N -1 1 272.728 3.523 50 0 CHAAMM CC(C)n1c(=S)[n-]nc1-c1ccc(Br)o1 ZINC000002569166 567848541 /nfs/dbraw/zinc/84/85/41/567848541.db2.gz OTNORTFRTDBCHR-UHFFFAOYSA-N -1 1 288.170 3.544 50 0 CHAAMM Fc1ccccc1-c1n[n-]c(=S)n1CCc1ccccc1 ZINC000003246535 567851911 /nfs/dbraw/zinc/85/19/11/567851911.db2.gz ARNMRQBSYYUBRS-UHFFFAOYSA-N -1 1 299.374 3.989 50 0 CHAAMM CC(C)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000004615063 567938397 /nfs/dbraw/zinc/93/83/97/567938397.db2.gz XGGYDMNWTUNUIW-UHFFFAOYSA-N -1 1 255.317 3.768 50 0 CHAAMM CC(C)Oc1ccccc1C=C1SC(=S)[N-]C1=O ZINC000017008158 570226739 /nfs/dbraw/zinc/22/67/39/570226739.db2.gz BBIHLIJOGGGVLQ-XFFZJAGNSA-N -1 1 279.386 3.803 50 0 CHAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000048652481 570298859 /nfs/dbraw/zinc/29/88/59/570298859.db2.gz UTYPWAUEGMFIJQ-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM Cc1cc(C)c(CN=Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000254705146 1129705967 /nfs/dbraw/zinc/70/59/67/1129705967.db2.gz ZBYDDCWGVOFUEC-UHFFFAOYSA-N -1 1 282.343 3.756 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc(C)c(C)c1 ZINC000002522219 169802186 /nfs/dbraw/zinc/80/21/86/169802186.db2.gz NKIRMRVLGUIHBU-NSHDSACASA-N -1 1 277.393 3.717 50 0 CHAAMM CCc1cc(-c2n[n-]c(=S)n2CC(C)C)cs1 ZINC000006519547 170208882 /nfs/dbraw/zinc/20/88/82/170208882.db2.gz IASHHGDQUMMMGE-UHFFFAOYSA-N -1 1 267.423 3.888 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H](C)Oc1ccccc1Cl ZINC000006710976 170231007 /nfs/dbraw/zinc/23/10/07/170231007.db2.gz VBAIBNFUSIVKKB-QMMMGPOBSA-N -1 1 283.784 3.754 50 0 CHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007381953 170280857 /nfs/dbraw/zinc/28/08/57/170280857.db2.gz URMDGNXKIGSTFR-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1[O-] ZINC000019840517 170889486 /nfs/dbraw/zinc/88/94/86/170889486.db2.gz XLMJSLBIADRICU-UHFFFAOYSA-N -1 1 297.232 3.543 50 0 CHAAMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000037362106 173151948 /nfs/dbraw/zinc/15/19/48/173151948.db2.gz DHWQRWLBQISUPU-GFCCVEGCSA-N -1 1 288.174 3.605 50 0 CHAAMM [O-]c1c(Br)ccc2ccc(Cl)cc12 ZINC000071477601 176187474 /nfs/dbraw/zinc/18/74/74/176187474.db2.gz NVFPSNRZJLEAAU-UHFFFAOYSA-N -1 1 257.514 3.961 50 0 CHAAMM COc1ccc(-c2noc([N-]c3cccc(C)c3)n2)cc1 ZINC000071928106 176301914 /nfs/dbraw/zinc/30/19/14/176301914.db2.gz AGHFCXXKSRYZNL-UHFFFAOYSA-N -1 1 281.315 3.797 50 0 CHAAMM COC(=O)c1cc2oc(-c3ccccc3Cl)cc2[n-]1 ZINC000096517672 333238714 /nfs/dbraw/zinc/23/87/14/333238714.db2.gz QNZMCSGLKNSTKS-UHFFFAOYSA-N -1 1 275.691 3.868 50 0 CHAAMM CCO[C@H](C)c1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000426399334 566987493 /nfs/dbraw/zinc/98/74/93/566987493.db2.gz CQXHGCYCYWYNOE-MRVPVSSYSA-N -1 1 285.269 3.588 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000000036596 567816809 /nfs/dbraw/zinc/81/68/09/567816809.db2.gz FQSVUFOEUWDJPO-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM Cc1ccc(-c2cc([O-])cc3sc(=O)oc32)cc1 ZINC000000137435 567819698 /nfs/dbraw/zinc/81/96/98/567819698.db2.gz RUCVHWRDFXVMMU-UHFFFAOYSA-N -1 1 258.298 3.536 50 0 biogenic CHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000348101 567826194 /nfs/dbraw/zinc/82/61/94/567826194.db2.gz ROGBSZSTBHSARC-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000363440 567826995 /nfs/dbraw/zinc/82/69/95/567826995.db2.gz MBEMVOHKOJLOCA-UHFFFAOYSA-N -1 1 293.413 3.518 50 0 CHAAMM O=C(Nc1ccc(F)cc1)c1cc2ccccc2cc1[O-] ZINC000001669793 567840739 /nfs/dbraw/zinc/84/07/39/567840739.db2.gz MTNUXXSZHTXWJX-UHFFFAOYSA-N -1 1 281.286 3.937 50 0 CHAAMM CCc1cc(-c2n[n-]c(=S)n2C(C)C)cs1 ZINC000002569127 567848316 /nfs/dbraw/zinc/84/83/16/567848316.db2.gz ITSUOSSNIFRGKE-UHFFFAOYSA-N -1 1 253.396 3.812 50 0 CHAAMM Cc1cccc(-c2n[n-]c(=S)n2Cc2ccco2)c1 ZINC000004205388 567855744 /nfs/dbraw/zinc/85/57/44/567855744.db2.gz HDIZWWKXJGNAAS-UHFFFAOYSA-N -1 1 271.345 3.557 50 0 CHAAMM FC(F)Oc1ccccc1-c1n[n-]c(=S)n1C1CC1 ZINC000002788034 567860342 /nfs/dbraw/zinc/86/03/42/567860342.db2.gz UXKVDOBHIWWNLU-UHFFFAOYSA-N -1 1 283.303 3.544 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)c2ccccc12 ZINC000012291013 567862664 /nfs/dbraw/zinc/86/26/64/567862664.db2.gz OXHXZTRCZUTESM-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM CCCc1cc(=O)[n-]c(SC/C=C/c2ccccc2)n1 ZINC000013465819 567866288 /nfs/dbraw/zinc/86/62/88/567866288.db2.gz DMKBESUPDSQJRJ-UXBLZVDNSA-N -1 1 286.400 3.528 50 0 CHAAMM O=c1[n-]c(-c2cccs2)nc2c1Cc1ccccc1O2 ZINC000015673796 567870903 /nfs/dbraw/zinc/87/09/03/567870903.db2.gz RBYNCSVJWAMMTI-UHFFFAOYSA-N -1 1 282.324 3.607 50 0 CHAAMM Cn1c(Cn2c3ccccc3c3ccccc32)n[n-]c1=S ZINC000015924327 567871776 /nfs/dbraw/zinc/87/17/76/567871776.db2.gz IJTCUQCTNPSRDK-UHFFFAOYSA-N -1 1 294.383 3.634 50 0 CHAAMM CC(C)Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000017008163 570226772 /nfs/dbraw/zinc/22/67/72/570226772.db2.gz DCJDQFRWWUATCO-XFFZJAGNSA-N -1 1 279.386 3.803 50 0 CHAAMM [O-]c1ccc2nc(/C=C/c3csnn3)ccc2c1Cl ZINC000170090971 1127589456 /nfs/dbraw/zinc/58/94/56/1127589456.db2.gz HFQPVFPZPBXCIZ-OWOJBTEDSA-N -1 1 289.747 3.616 50 0 CHAAMM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccccc2)S1 ZINC000001406034 169703279 /nfs/dbraw/zinc/70/32/79/169703279.db2.gz HJDHEMGPYLPENJ-UVTDQMKNSA-N -1 1 297.335 3.803 50 0 CHAAMM O=c1cc(-c2ccccc2)nc(SCc2ccccn2)[n-]1 ZINC000005154842 170071511 /nfs/dbraw/zinc/07/15/11/170071511.db2.gz QEKLTAZKMUABGH-UHFFFAOYSA-N -1 1 295.367 3.537 50 0 CHAAMM Cc1cc(=O)[n-]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000005181931 170074106 /nfs/dbraw/zinc/07/41/06/170074106.db2.gz OTFNJEVLLIIKKI-UHFFFAOYSA-N -1 1 288.416 3.668 50 0 CHAAMM CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1 ZINC000006756803 170241153 /nfs/dbraw/zinc/24/11/53/170241153.db2.gz HGZFHBFHYIZWJF-UHFFFAOYSA-N -1 1 282.299 3.549 50 0 biogenic CHAAMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3)cc2)S1 ZINC000007154764 170269165 /nfs/dbraw/zinc/26/91/65/170269165.db2.gz RHRLYVRWKISPMD-GXDHUFHOSA-N -1 1 281.336 3.678 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H]1C[C@H]1c1ccc(C)cc1 ZINC000008339816 170332334 /nfs/dbraw/zinc/33/23/34/170332334.db2.gz GUVZGKRXASSIMU-RYUDHWBXSA-N -1 1 259.378 3.540 50 0 CHAAMM Cc1ccc([C@@H]2C[C@H]2c2n[n-]c(=S)n2C2CC2)cc1 ZINC000008550463 170339813 /nfs/dbraw/zinc/33/98/13/170339813.db2.gz BDGOPDFGPRSPQM-QWHCGFSZSA-N -1 1 271.389 3.855 50 0 CHAAMM Cc1ccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1C ZINC000008845897 170357330 /nfs/dbraw/zinc/35/73/30/170357330.db2.gz SQMKPVSVROQLCW-UHFFFAOYSA-N -1 1 291.354 3.797 50 0 CHAAMM CCCCCc1nc(Nc2ccc(C)cc2)[n-]c(=O)c1C ZINC000009483877 170378303 /nfs/dbraw/zinc/37/83/03/170378303.db2.gz PGIKMQPLNOMVSD-UHFFFAOYSA-N -1 1 285.391 3.863 50 0 CHAAMM O=C(Nc1cccc(Cl)c1Cl)Nc1ncccc1[O-] ZINC000000401880 333313213 /nfs/dbraw/zinc/31/32/13/333313213.db2.gz LHBZYZFUGCMOJM-UHFFFAOYSA-N -1 1 298.129 3.738 50 0 CHAAMM O=C(COc1cccc2ccccc21)c1ccc([O-])cc1O ZINC000003111548 567160205 /nfs/dbraw/zinc/16/02/05/567160205.db2.gz REDAXCPBSWPTFV-UHFFFAOYSA-N -1 1 294.306 3.513 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1c(F)cccc1Cl ZINC000001241064 567836298 /nfs/dbraw/zinc/83/62/98/567836298.db2.gz KBELKNAFHSPQRM-XBXARRHUSA-N -1 1 273.741 3.808 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000002791566 567849654 /nfs/dbraw/zinc/84/96/54/567849654.db2.gz XQXSDEDZHJIUCK-MNOVXSKESA-N -1 1 279.796 3.885 50 0 CHAAMM CC(C)c1n[n-]c(=S)n1[C@H]1CCc2ccccc21 ZINC000015109597 567870400 /nfs/dbraw/zinc/87/04/00/567870400.db2.gz NODWBLXCLBYSOZ-LBPRGKRZSA-N -1 1 259.378 3.600 50 0 CHAAMM CCn1c(CC23CC4CC(CC(C4)C2)C3)n[n-]c1=S ZINC000015933425 567871760 /nfs/dbraw/zinc/87/17/60/567871760.db2.gz CQZHMRZVESCXHW-UHFFFAOYSA-N -1 1 277.437 3.719 50 0 CHAAMM CCOC(=O)c1nc(-c2cc(Cl)ccc2[O-])sc1C ZINC000096345674 567895196 /nfs/dbraw/zinc/89/51/96/567895196.db2.gz VBERTVYHXIDXRG-UHFFFAOYSA-N -1 1 297.763 3.654 50 0 CHAAMM CC(C)c1cc(=O)[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000002548539 567932063 /nfs/dbraw/zinc/93/20/63/567932063.db2.gz SUWQRAVLPFQGNZ-UHFFFAOYSA-N -1 1 294.807 3.839 50 0 CHAAMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000005925476 170156085 /nfs/dbraw/zinc/15/60/85/170156085.db2.gz LWPMCLHGUTZCTN-UHFFFAOYSA-N -1 1 289.400 3.919 50 0 CHAAMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000007402302 170283010 /nfs/dbraw/zinc/28/30/10/170283010.db2.gz ARWDXNNXCSAELT-UHFFFAOYSA-N -1 1 293.363 3.579 50 0 CHAAMM CCCCc1c(C)nc(SCCC(C)C)[n-]c1=O ZINC000008767757 170354975 /nfs/dbraw/zinc/35/49/75/170354975.db2.gz MWLSNRDHILMWMU-UHFFFAOYSA-N -1 1 268.426 3.559 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1cccc(Cl)c1 ZINC000016989541 534343993 /nfs/dbraw/zinc/34/39/93/534343993.db2.gz RUBMOEKDIMPMHT-YVMONPNESA-N -1 1 255.751 3.669 50 0 CHAAMM CCO[C@@H](C)c1ccc(-c2nc(C(F)(F)F)n[nH]2)cc1 ZINC000426399335 566987699 /nfs/dbraw/zinc/98/76/99/566987699.db2.gz CQXHGCYCYWYNOE-QMMMGPOBSA-N -1 1 285.269 3.588 50 0 CHAAMM CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000067738978 567196953 /nfs/dbraw/zinc/19/69/53/567196953.db2.gz NEOUSXRRBUMOKM-UHFFFAOYSA-N -1 1 291.734 3.697 50 0 CHAAMM O=C(COc1ccc2ccccc2c1)c1ccc([O-])cc1O ZINC000000136923 567819592 /nfs/dbraw/zinc/81/95/92/567819592.db2.gz PZWONDJKMIEKIL-UHFFFAOYSA-N -1 1 294.306 3.513 50 0 CHAAMM 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Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC000192235012 566973695 /nfs/dbraw/zinc/97/36/95/566973695.db2.gz ALAMSCSMVJZXOI-UHFFFAOYSA-N -1 1 291.738 3.701 50 0 CHAAMM COc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000003151812 567163208 /nfs/dbraw/zinc/16/32/08/567163208.db2.gz FOXHGFAYNSVJSF-UHFFFAOYSA-N -1 1 293.322 3.806 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C ZINC000003581427 567178566 /nfs/dbraw/zinc/17/85/66/567178566.db2.gz SOAUYRUWQOGMTJ-UHFFFAOYSA-N -1 1 293.363 3.552 50 0 CHAAMM CCCCn1c(-c2ccccc2F)n[n-]c1=S ZINC000003628211 567179899 /nfs/dbraw/zinc/17/98/99/567179899.db2.gz WXXOLFNWXRTTMH-UHFFFAOYSA-N -1 1 251.330 3.547 50 0 CHAAMM CCC1(CC)Cc2ccccc2-c2[nH]c(=S)[n-]c(=O)c21 ZINC000000477507 567832338 /nfs/dbraw/zinc/83/23/38/567832338.db2.gz YLYIABHKKTUWPT-UHFFFAOYSA-N -1 1 286.400 3.713 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1ccccc1Cl ZINC000001268950 567836907 /nfs/dbraw/zinc/83/69/07/567836907.db2.gz AAIBSXUAGRXSIQ-VMPITWQZSA-N -1 1 255.751 3.669 50 0 CHAAMM CSc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000002536878 567847808 /nfs/dbraw/zinc/84/78/08/567847808.db2.gz SEIFTQHMDCKSIB-RMKNXTFCSA-N -1 1 267.400 3.738 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000002740238 567849150 /nfs/dbraw/zinc/84/91/50/567849150.db2.gz KPRWHOCOWVZODI-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1[nH]c2ccccc2c1C=C1SC(=S)[N-]C1=O ZINC000012681213 567863814 /nfs/dbraw/zinc/86/38/14/567863814.db2.gz UVIPMLZWLKVILY-WDZFZDKYSA-N -1 1 274.370 3.805 50 0 CHAAMM CCC(=O)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000000447795 567887899 /nfs/dbraw/zinc/88/78/99/567887899.db2.gz XOKRKZFLTRDVJJ-UHFFFAOYSA-N -1 1 296.326 3.857 50 0 CHAAMM Cc1[nH]c(=S)[n-]c(=O)c1Oc1ccc(Cl)cc1 ZINC000042777696 567891877 /nfs/dbraw/zinc/89/18/77/567891877.db2.gz FGOLGRYNKIMJGX-UHFFFAOYSA-N -1 1 268.725 3.599 50 0 CHAAMM CCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000100177524 567912436 /nfs/dbraw/zinc/91/24/36/567912436.db2.gz NITSLLJSCFDSNQ-UHFFFAOYSA-N -1 1 285.372 3.572 50 0 CHAAMM Cc1ccc(N[C@H](c2cccc(C)c2)[P@](=O)([O-])O)cc1 ZINC000024769600 567947383 /nfs/dbraw/zinc/94/73/83/567947383.db2.gz VWSLPJQOQNPAPB-HNNXBMFYSA-N -1 1 291.287 3.592 50 0 CHAAMM O=C1[N-]C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S1 ZINC000001188185 570325262 /nfs/dbraw/zinc/32/52/62/570325262.db2.gz KUGWAQWUAGDMPL-GXDHUFHOSA-N -1 1 297.335 3.803 50 0 CHAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000024070583 1119151526 /nfs/dbraw/zinc/15/15/26/1119151526.db2.gz OALBQKJFZXBEEG-UHFFFAOYSA-N -1 1 295.429 3.728 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1csc(-c2ccco2)n1 ZINC000049065658 1123074977 /nfs/dbraw/zinc/07/49/77/1123074977.db2.gz JXQYMWCZDZIPTH-XBXARRHUSA-N -1 1 294.382 3.732 50 0 CHAAMM CC(C)(C)n1c(=S)[n-]nc1-c1ccc2ncccc2c1 ZINC000005624964 170121690 /nfs/dbraw/zinc/12/16/90/170121690.db2.gz JOOSWSIFRIJQOP-UHFFFAOYSA-N -1 1 284.388 3.911 50 0 CHAAMM Cc1nc(-c2ccccc2)sc1-c1n[n-]c(=S)n1C ZINC000005721793 170133253 /nfs/dbraw/zinc/13/32/53/170133253.db2.gz WGSCKEBSIIZIMG-UHFFFAOYSA-N -1 1 288.401 3.577 50 0 CHAAMM CCn1c(=S)[n-]nc1-c1csc2ccccc12 ZINC000006791918 170244372 /nfs/dbraw/zinc/24/43/72/170244372.db2.gz LRRDTJUVWSJCMS-UHFFFAOYSA-N -1 1 261.375 3.842 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C ZINC000006865885 170250978 /nfs/dbraw/zinc/25/09/78/170250978.db2.gz XYZFMJKELLHQDZ-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CCc1ccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000007995032 170312777 /nfs/dbraw/zinc/31/27/77/170312777.db2.gz TYGDCRUUPOQKFP-UHFFFAOYSA-N -1 1 291.354 3.743 50 0 CHAAMM O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1[O-] ZINC000008716861 170348897 /nfs/dbraw/zinc/34/88/97/170348897.db2.gz GFUKRQFBTHGSIC-UHFFFAOYSA-N -1 1 282.126 3.951 50 0 CHAAMM CCCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000008828699 170356693 /nfs/dbraw/zinc/35/66/93/170356693.db2.gz WSQAUALTIKYGJA-UHFFFAOYSA-N -1 1 294.807 3.668 50 0 aggregator CHAAMM CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000016130176 170687994 /nfs/dbraw/zinc/68/79/94/170687994.db2.gz HJQOMCIISYOVBU-UHFFFAOYSA-N -1 1 295.791 3.703 50 0 CHAAMM CCC(CC)(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[O-] ZINC000035412376 172184252 /nfs/dbraw/zinc/18/42/52/172184252.db2.gz VRCKMONEBNRXKJ-UHFFFAOYSA-N -1 1 280.755 3.650 50 0 CHAAMM O=Cc1ccc([O-])c(Cc2c(Cl)cccc2Cl)c1O ZINC000001402589 566874957 /nfs/dbraw/zinc/87/49/57/566874957.db2.gz GDBOBQIBMIMWIY-UHFFFAOYSA-N -1 1 297.137 3.808 50 0 CHAAMM O=C([O-])c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000033559133 566962655 /nfs/dbraw/zinc/96/26/55/566962655.db2.gz UHLQBNHANRPRNR-UHFFFAOYSA-N -1 1 272.691 3.582 50 0 CHAAMM C[C@H]1CCCC[C@H]1n1c(=S)[n-]nc1-c1cccnc1 ZINC000013142545 567865143 /nfs/dbraw/zinc/86/51/43/567865143.db2.gz PUJQPRBCIATNGV-CMPLNLGQSA-N -1 1 274.393 3.754 50 0 CHAAMM CCn1c(=S)[n-]nc1-c1csc2c1CCCCC2 ZINC000019737338 567878494 /nfs/dbraw/zinc/87/84/94/567878494.db2.gz FJICFWKVWQVMST-UHFFFAOYSA-N -1 1 279.434 3.958 50 0 CHAAMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1[O-] ZINC000019838571 567879094 /nfs/dbraw/zinc/87/90/94/567879094.db2.gz FTUBVPDEKVSHHN-UHFFFAOYSA-N -1 1 297.232 3.543 50 0 CHAAMM CC(C)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000011865628 567928598 /nfs/dbraw/zinc/92/85/98/567928598.db2.gz NLWLYTJIXINFTF-UHFFFAOYSA-N -1 1 296.322 3.953 50 0 biogenic CHAAMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000441593 567936347 /nfs/dbraw/zinc/93/63/47/567936347.db2.gz DULSNKHCEDZQPN-UHFFFAOYSA-N -1 1 293.363 3.750 50 0 CHAAMM Cc1nc(NC(=O)c2ccccc2[O-])sc1C(C)(C)C ZINC000000551476 567943107 /nfs/dbraw/zinc/94/31/07/567943107.db2.gz GAJGGJLQTFWSIO-UHFFFAOYSA-N -1 1 290.388 3.707 50 0 CHAAMM O=C1[N-]C(=S)SC1=CC(Cl)=Cc1ccccc1 ZINC000002536899 1125654406 /nfs/dbraw/zinc/65/44/06/1125654406.db2.gz DUACNJOZFSRLIT-LFPVQMOXSA-N -1 1 281.789 3.709 50 0 CHAAMM CCC[C@@H](C)c1c([O-])nc(S[C@H](C)CC)n(CC)c1=O ZINC000023115573 1119262450 /nfs/dbraw/zinc/26/24/50/1119262450.db2.gz ZECQTMNMLSFBRF-GHMZBOCLSA-N -1 1 298.452 3.763 50 0 CHAAMM CC(C)(C)c1ccc(CC(=O)c2ccc([O-])cc2O)cc1 ZINC000085554927 179093123 /nfs/dbraw/zinc/09/31/23/179093123.db2.gz WIHFBIHMWDXSJI-UHFFFAOYSA-N -1 1 284.355 3.821 50 0 CHAAMM Cc1ccccc1-c1n[n-]c(=S)n1Cc1ccco1 ZINC000006812655 170245656 /nfs/dbraw/zinc/24/56/56/170245656.db2.gz DAKNLYLTGOGIAY-UHFFFAOYSA-N -1 1 271.345 3.557 50 0 CHAAMM S=c1[n-]nc(-c2ccccc2-n2cccc2)n1C1CC1 ZINC000008435873 170336413 /nfs/dbraw/zinc/33/64/13/170336413.db2.gz AWNOWWWCTSSNCQ-UHFFFAOYSA-N -1 1 282.372 3.733 50 0 CHAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000072301064 176365048 /nfs/dbraw/zinc/36/50/48/176365048.db2.gz WVZRSNHRTPBJSM-UHFFFAOYSA-N -1 1 281.402 3.501 50 0 CHAAMM O=[P@]([O-])(O)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000012914121 566928264 /nfs/dbraw/zinc/92/82/64/566928264.db2.gz SAQLOZLISVUTON-ZDUSSCGKSA-N -1 1 297.678 3.628 50 0 CHAAMM Cc1ccc2c(c1)Cc1c(=O)[n-]c(-c3ccccc3)nc1O2 ZINC000067350824 567197009 /nfs/dbraw/zinc/19/70/09/567197009.db2.gz PECVUCHCLGIUQV-UHFFFAOYSA-N -1 1 290.322 3.854 50 0 CHAAMM O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000000002052 567816478 /nfs/dbraw/zinc/81/64/78/567816478.db2.gz WQDAVGDBWHWDSC-UHFFFAOYSA-N -1 1 281.233 3.663 50 0 in-man CHAAMM CCc1cc2c(cc1[O-])oc(=O)cc2-c1ccccc1 ZINC000000406884 567829693 /nfs/dbraw/zinc/82/96/93/567829693.db2.gz FRFGBBUZDWJTET-UHFFFAOYSA-N -1 1 266.296 3.728 50 0 biogenic CHAAMM O=C1[N-]C(=S)SC1=Cc1ccc(OC(F)F)cc1 ZINC000002240226 567845183 /nfs/dbraw/zinc/84/51/83/567845183.db2.gz AYWRWQXDWXANHC-VMPITWQZSA-N -1 1 287.312 3.617 50 0 CHAAMM Cc1ccc(Oc2c(C)nc(-c3ccccc3)[n-]c2=O)cc1 ZINC000013469630 567866333 /nfs/dbraw/zinc/86/63/33/567866333.db2.gz KGCKRTMFQYJNRG-UHFFFAOYSA-N -1 1 292.338 3.846 50 0 CHAAMM O=c1[n-]c(=S)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000017861775 567937659 /nfs/dbraw/zinc/93/76/59/567937659.db2.gz GTDBGPWZNPZTJR-UHFFFAOYSA-N -1 1 298.411 3.857 50 0 CHAAMM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cccs1 ZINC000002995945 567937871 /nfs/dbraw/zinc/93/78/71/567937871.db2.gz PPUFJYRDRWLDGZ-UHFFFAOYSA-N -1 1 293.216 3.696 50 0 CHAAMM CSc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000016991284 570226387 /nfs/dbraw/zinc/22/63/87/570226387.db2.gz SEIFTQHMDCKSIB-TWGQIWQCSA-N -1 1 267.400 3.738 50 0 CHAAMM Cc1oc(C)c2c1c([O-])cc(-c1ccccc1)cc2=O ZINC000023549766 1119911399 /nfs/dbraw/zinc/91/13/99/1119911399.db2.gz HEYMZCFSOQGMMG-UHFFFAOYSA-N -1 1 266.296 3.782 50 0 CHAAMM CCCc1cc(=O)[n-]c(Nc2ccc(C(C)C)cc2)n1 ZINC000005012125 170055163 /nfs/dbraw/zinc/05/51/63/170055163.db2.gz XGCDNPTXIRLPJI-UHFFFAOYSA-N -1 1 271.364 3.589 50 0 CHAAMM CCOc1ccc(-c2ncncc2-c2ccccc2)c([O-])c1 ZINC000005427306 170098209 /nfs/dbraw/zinc/09/82/09/170098209.db2.gz SQJNKBMFONAESM-UHFFFAOYSA-N -1 1 292.338 3.915 50 0 CHAAMM CCc1ccc(O[C@@H](C)c2n[n-]c(=S)n2CC)cc1 ZINC000005444932 170099756 /nfs/dbraw/zinc/09/97/56/170099756.db2.gz ACSUILVRYGORER-JTQLQIEISA-N -1 1 277.393 3.663 50 0 CHAAMM Cc1c([O-])cc(-c2cccs2)n(-c2ccccc2)c1=O ZINC000006556303 170212849 /nfs/dbraw/zinc/21/28/49/170212849.db2.gz RIBIPVDHRJYQLH-UHFFFAOYSA-N -1 1 283.352 3.580 50 0 CHAAMM C[C@@H](c1ccccc1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000035306334 172120438 /nfs/dbraw/zinc/12/04/38/172120438.db2.gz KVXQGWAVRGHOLJ-NSHDSACASA-N -1 1 299.399 3.590 50 0 CHAAMM Fc1ccc([N-]c2nc(-c3ccccc3F)no2)cc1 ZINC000071928158 176302345 /nfs/dbraw/zinc/30/23/45/176302345.db2.gz OTQDNEKSZDOHQS-UHFFFAOYSA-N -1 1 273.242 3.758 50 0 CHAAMM O=c1oc2c(cc([O-])cc2-c2ccccc2Cl)s1 ZINC000003885734 260013531 /nfs/dbraw/zinc/01/35/31/260013531.db2.gz IKQKTNUVTJUWGY-UHFFFAOYSA-N -1 1 278.716 3.881 50 0 CHAAMM Cc1ccc(-n2nccc2-c2ccc(F)cc2[O-])cc1 ZINC000116711251 567093330 /nfs/dbraw/zinc/09/33/30/567093330.db2.gz FMJNNCUZOXVUPG-UHFFFAOYSA-N -1 1 268.291 3.692 50 0 CHAAMM CCOc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000000043094 567816902 /nfs/dbraw/zinc/81/69/02/567816902.db2.gz IIBZPBNMVWOFEQ-UHFFFAOYSA-N -1 1 282.295 3.564 50 0 biogenic CHAAMM CCn1c(=S)[n-]nc1[C@@H](C)Oc1ccc(Cl)cc1 ZINC000000163591 567820960 /nfs/dbraw/zinc/82/09/60/567820960.db2.gz ZSVKAUICNCCCPU-MRVPVSSYSA-N -1 1 283.784 3.754 50 0 CHAAMM CCCCCc1c(C)nc(SCCC(C)C)[n-]c1=O ZINC000002191064 567845309 /nfs/dbraw/zinc/84/53/09/567845309.db2.gz AKZZBKCMNZTUQW-UHFFFAOYSA-N -1 1 282.453 3.949 50 0 CHAAMM C=Cc1cc(O)cc2nc(-c3ccc([O-])c(F)c3)oc21 ZINC000003817763 567853461 /nfs/dbraw/zinc/85/34/61/567853461.db2.gz MQIMZDXIAHJKQP-UHFFFAOYSA-N -1 1 271.247 3.688 50 0 in-man CHAAMM CCCn1c2ccccc2c([O-])c(-c2ccccc2)c1=O ZINC000100498535 567913344 /nfs/dbraw/zinc/91/33/44/567913344.db2.gz VJRTWEUTEIJBQW-UHFFFAOYSA-N -1 1 279.339 3.784 50 0 CHAAMM O=c1cc(-c2ccccc2)nc(SCc2cccnc2)[n-]1 ZINC000017967178 567937866 /nfs/dbraw/zinc/93/78/66/567937866.db2.gz IIUHYPSHQCDOLL-UHFFFAOYSA-N -1 1 295.367 3.537 50 0 CHAAMM CCCN(CC1CC1)C(=O)c1ccc2ccccc2c1[O-] ZINC000032893609 567948670 /nfs/dbraw/zinc/94/86/70/567948670.db2.gz LRQBOCFJGRWZPJ-UHFFFAOYSA-N -1 1 283.371 3.808 50 0 CHAAMM CC[C@@H](Oc1ccc(C)c(C)c1)c1n[n-]c(=S)n1C ZINC000017007854 570226762 /nfs/dbraw/zinc/22/67/62/570226762.db2.gz XPYAWRIBYVZZLX-GFCCVEGCSA-N -1 1 277.393 3.625 50 0 CHAAMM S=c1[n-]nc2c3c(-c4ccccc4)csc3ncn12 ZINC000000087235 1118850988 /nfs/dbraw/zinc/85/09/88/1118850988.db2.gz OSTRIYYXFAMLDV-UHFFFAOYSA-N -1 1 284.369 3.669 50 0 CHAAMM O=[P@@]1([O-])C=C(c2ccccc2)N=C(c2ccccc2)C1 ZINC000003212407 1119774581 /nfs/dbraw/zinc/77/45/81/1119774581.db2.gz ROKNDKSLBMXZNT-UHFFFAOYSA-N -1 1 283.267 3.857 50 0 CHAAMM O=P1([O-])C=C(c2ccccc2)NC(c2ccccc2)=C1 ZINC000003212407 1119774584 /nfs/dbraw/zinc/77/45/84/1119774584.db2.gz ROKNDKSLBMXZNT-UHFFFAOYSA-N -1 1 283.267 3.857 50 0 CHAAMM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000095974019 185050300 /nfs/dbraw/zinc/05/03/00/185050300.db2.gz YHVJGFKYOSDJPT-UHFFFAOYSA-N -1 1 289.718 3.501 50 0 CHAAMM Cc1[n-]n2c(nc3c(c2=S)CCCC3)c1-c1ccccc1 ZINC000006167213 170180229 /nfs/dbraw/zinc/18/02/29/170180229.db2.gz ZWUKSZBFUCRRHM-UHFFFAOYSA-N -1 1 295.411 3.872 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@@H]1C[C@@H]1c1ccc(C)cc1 ZINC000008339808 170332134 /nfs/dbraw/zinc/33/21/34/170332134.db2.gz GUVZGKRXASSIMU-VXGBXAGGSA-N -1 1 259.378 3.540 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000008339814 170332365 /nfs/dbraw/zinc/33/23/65/170332365.db2.gz GUVZGKRXASSIMU-NEPJUHHUSA-N -1 1 259.378 3.540 50 0 CHAAMM COc1ccc(-c2c(C)c3ccc([O-])c(C)c3oc2=O)cc1 ZINC000017043348 567032422 /nfs/dbraw/zinc/03/24/22/567032422.db2.gz VJEMKBLWLGIWFX-UHFFFAOYSA-N -1 1 296.322 3.791 50 0 biogenic CHAAMM CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000168460 567820969 /nfs/dbraw/zinc/82/09/69/567820969.db2.gz NRLPIFSZXPPQNL-UHFFFAOYSA-N -1 1 295.791 3.703 50 0 CHAAMM C[C@H](Oc1ccc(C(C)(C)C)cc1)c1n[n-]c(=S)n1C ZINC000002522207 567847556 /nfs/dbraw/zinc/84/75/56/567847556.db2.gz JGNUIOGFUDACOT-JTQLQIEISA-N -1 1 291.420 3.915 50 0 CHAAMM CC(C)c1n[n-]c(=S)n1[C@@H]1CCc2ccccc21 ZINC000015109594 567870338 /nfs/dbraw/zinc/87/03/38/567870338.db2.gz NODWBLXCLBYSOZ-GFCCVEGCSA-N -1 1 259.378 3.600 50 0 CHAAMM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(C)C ZINC000100072235 567911438 /nfs/dbraw/zinc/91/14/38/567911438.db2.gz PHZOQVKWLOTXTG-UHFFFAOYSA-N -1 1 262.328 3.614 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1csc(-c2ccco2)n1 ZINC000084432918 570273598 /nfs/dbraw/zinc/27/35/98/570273598.db2.gz JXQYMWCZDZIPTH-YWEYNIOJSA-N -1 1 294.382 3.732 50 0 CHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000003368704 570275116 /nfs/dbraw/zinc/27/51/16/570275116.db2.gz KFLVYFFTQAKEED-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1oc2ccccc2c1C(=O)c1ccc([O-])cc1 ZINC000002576318 570333874 /nfs/dbraw/zinc/33/38/74/570333874.db2.gz BCQDWIKXULTIHQ-UHFFFAOYSA-N -1 1 252.269 3.678 50 0 CHAAMM CCN(C(=O)OC(C)(C)C)c1ccc([O-])c(Cl)c1 ZINC000261493677 190039791 /nfs/dbraw/zinc/03/97/91/190039791.db2.gz GWRFIWRLAHSEJH-UHFFFAOYSA-N -1 1 271.744 3.807 50 0 CHAAMM CSc1nc2c(c(=O)[n-]1)C1(CCCC1)Cc1ccccc1-2 ZINC000005092581 170065846 /nfs/dbraw/zinc/06/58/46/170065846.db2.gz SFNOIVQCMOVNJN-UHFFFAOYSA-N -1 1 298.411 3.527 50 0 biogenic CHAAMM C[C@@H]1Oc2ccccc2C=C1C=C1SC(=O)[N-]C1=S ZINC000005347110 170088442 /nfs/dbraw/zinc/08/84/42/170088442.db2.gz JFUDFJGRCDKBKB-VQLBTBKJSA-N -1 1 289.381 3.519 50 0 CHAAMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000007053937 170264393 /nfs/dbraw/zinc/26/43/93/170264393.db2.gz GOQXDCIJGUTXRH-UHFFFAOYSA-N -1 1 289.400 3.785 50 0 CHAAMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000007055481 170264574 /nfs/dbraw/zinc/26/45/74/170264574.db2.gz DPDHQHNWPFDFGN-UHFFFAOYSA-N -1 1 293.363 3.750 50 0 CHAAMM O=C(NCc1cccs1)c1cc2ccccc2cc1[O-] ZINC000008156044 170321732 /nfs/dbraw/zinc/32/17/32/170321732.db2.gz RPIFJHAUXVWYQM-UHFFFAOYSA-N -1 1 283.352 3.537 50 0 CHAAMM Cc1cc(Nc2ccccc2C(=O)[O-])c2ccccc2n1 ZINC000020345228 171153998 /nfs/dbraw/zinc/15/39/98/171153998.db2.gz JBFQYOFMSDMFRW-UHFFFAOYSA-N -1 1 278.311 3.985 50 0 CHAAMM O=C(NC1CCCCC1)c1cc2ccccc2cc1[O-] ZINC000001670127 566996975 /nfs/dbraw/zinc/99/69/75/566996975.db2.gz XMCXTRGQLIANRN-UHFFFAOYSA-N -1 1 269.344 3.608 50 0 CHAAMM O=S(=O)([N-]c1cccc2ccccc21)c1ccccc1 ZINC000000156183 567820821 /nfs/dbraw/zinc/82/08/21/567820821.db2.gz VRKMDUCAEICPMN-UHFFFAOYSA-N -1 1 283.352 3.641 50 0 CHAAMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000000365198 567827504 /nfs/dbraw/zinc/82/75/04/567827504.db2.gz IZASIFIDXPGBLQ-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000000383759 567827897 /nfs/dbraw/zinc/82/78/97/567827897.db2.gz QXRMGEDTISTVNC-UHFFFAOYSA-N -1 1 289.400 3.919 50 0 CHAAMM CCc1c(-c2ccccc2)oc(-c2ccccc2[O-])[n+]1[O-] ZINC000000389925 567828281 /nfs/dbraw/zinc/82/82/81/567828281.db2.gz PKVNZGPLGVHFSQ-UHFFFAOYSA-N -1 1 281.311 3.515 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)c1 ZINC000000575918 567833994 /nfs/dbraw/zinc/83/39/94/567833994.db2.gz SXNKOIYZOLSHOY-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CCCCCCc1c(C)c2ccc([O-])cc2oc1=O ZINC000003882130 567854403 /nfs/dbraw/zinc/85/44/03/567854403.db2.gz RCRLOVSDQMDTML-UHFFFAOYSA-N -1 1 260.333 3.930 50 0 CHAAMM Cc1cc(Cl)ccc1O[C@H](C)c1n[n-]c(=S)n1C ZINC000017009089 567874457 /nfs/dbraw/zinc/87/44/57/567874457.db2.gz FPEPBEYRTZLFDV-MRVPVSSYSA-N -1 1 283.784 3.580 50 0 CHAAMM Cc1cccc2sc(NC(=O)c3ccccc3[O-])nc21 ZINC000022024773 567881311 /nfs/dbraw/zinc/88/13/11/567881311.db2.gz GMBYMSZAARZOTG-UHFFFAOYSA-N -1 1 284.340 3.563 50 0 CHAAMM CC(=O)c1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-] ZINC000030822733 567884882 /nfs/dbraw/zinc/88/48/82/567884882.db2.gz ORZPICGJLYOTKO-UHFFFAOYSA-N -1 1 294.306 3.677 50 0 CHAAMM COc1ccc(-c2ccc([O-])c(Cl)c2)cc1F ZINC000065343309 567898470 /nfs/dbraw/zinc/89/84/70/567898470.db2.gz BGJSWYUYDPQDAA-UHFFFAOYSA-N -1 1 252.672 3.860 50 0 CHAAMM Cc1ccc(C(=O)c2c[n-]c3ccc(F)cc3c2=O)cc1C ZINC000000248769 567925661 /nfs/dbraw/zinc/92/56/61/567925661.db2.gz JITAVGPABYPNCK-UHFFFAOYSA-N -1 1 295.313 3.927 50 0 CHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000577367 567943772 /nfs/dbraw/zinc/94/37/72/567943772.db2.gz KDOGSTJKUCNNJN-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM CCn1c(CSCc2ccc(C)cc2)n[n-]c1=S ZINC000005909229 170153758 /nfs/dbraw/zinc/15/37/58/170153758.db2.gz IRLRUMYADILFSP-UHFFFAOYSA-N -1 1 279.434 3.702 50 0 CHAAMM CC(C)c1ccc(O[C@@H](C)c2n[n-]c(=S)n2C)cc1 ZINC000006359061 170195332 /nfs/dbraw/zinc/19/53/32/170195332.db2.gz ORCYKNXZCPJCCG-JTQLQIEISA-N -1 1 277.393 3.741 50 0 CHAAMM Cc1ccc(-c2n[n-]c(=S)n2Cc2ccccc2)cc1 ZINC000008580107 170341694 /nfs/dbraw/zinc/34/16/94/170341694.db2.gz MTHDKYLTQGUNHF-UHFFFAOYSA-N -1 1 281.384 3.964 50 0 CHAAMM Cc1ccc(C)c(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC000000158097 567820857 /nfs/dbraw/zinc/82/08/57/567820857.db2.gz OQOULCPVNZYDHV-UHFFFAOYSA-N -1 1 272.188 3.616 50 0 CHAAMM Cc1ccc2nc(NC(=O)c3ccccc3[O-])sc2c1 ZINC000000192472 567822157 /nfs/dbraw/zinc/82/21/57/567822157.db2.gz ODMDCSVWTPJREQ-UHFFFAOYSA-N -1 1 284.340 3.563 50 0 CHAAMM CC(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000354346 567826265 /nfs/dbraw/zinc/82/62/65/567826265.db2.gz WWWNVDFXVOPVMS-UHFFFAOYSA-N -1 1 275.373 3.611 50 0 CHAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000000363554 567827103 /nfs/dbraw/zinc/82/71/03/567827103.db2.gz JAHLYNVHEIMBNF-UHFFFAOYSA-N -1 1 297.379 3.949 50 0 CHAAMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccccc1 ZINC000000392850 567828576 /nfs/dbraw/zinc/82/85/76/567828576.db2.gz VIJIPNMCOOEVFF-UHFFFAOYSA-N -1 1 289.400 3.612 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1cccc(Cl)c1 ZINC000002536846 567847651 /nfs/dbraw/zinc/84/76/51/567847651.db2.gz RUBMOEKDIMPMHT-VMPITWQZSA-N -1 1 255.751 3.669 50 0 CHAAMM CCOC(=O)c1cc2oc(-c3ccccc3)cc2[n-]1 ZINC000019928496 567880023 /nfs/dbraw/zinc/88/00/23/567880023.db2.gz QCUOJQGCBZVOAP-UHFFFAOYSA-N -1 1 255.273 3.605 50 0 CHAAMM Cc1ccc(-c2n[n-]c(=S)n2Cc2ccco2)cc1 ZINC000036724590 567889605 /nfs/dbraw/zinc/88/96/05/567889605.db2.gz XYTCNMWNRCOYES-UHFFFAOYSA-N -1 1 271.345 3.557 50 0 CHAAMM CCCCc1c([O-])c2ccccc2n(CCCC)c1=O ZINC000100294436 567912712 /nfs/dbraw/zinc/91/27/12/567912712.db2.gz HQJNWEYTMIIJNY-UHFFFAOYSA-N -1 1 273.376 3.850 50 0 CHAAMM Cc1cc(C)c(C=C2SC(=S)[N-]C2=O)cc1C ZINC000056683736 570387181 /nfs/dbraw/zinc/38/71/81/570387181.db2.gz YQCOWZMUBBSVLP-IZZDOVSWSA-N -1 1 263.387 3.941 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1ccccc1OC(F)F ZINC000012719669 570395529 /nfs/dbraw/zinc/39/55/29/570395529.db2.gz JGZBNVQIQJRQHN-VMPITWQZSA-N -1 1 287.312 3.617 50 0 CHAAMM Cc1ccc(CN(C)Cc2cccc([O-])c2Cl)o1 ZINC000294785856 1120209821 /nfs/dbraw/zinc/20/98/21/1120209821.db2.gz BZVKBJYXSIPBKQ-UHFFFAOYSA-N -1 1 265.740 3.579 50 0 CHAAMM CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000012941905 1124075425 /nfs/dbraw/zinc/07/54/25/1124075425.db2.gz LFMSPJQLVNIBRU-UHFFFAOYSA-N -1 1 291.350 3.818 50 0 CHAAMM CCc1ccc(O[C@H](C)c2n[n-]c(=S)n2CC)cc1 ZINC000005444933 170099791 /nfs/dbraw/zinc/09/97/91/170099791.db2.gz ACSUILVRYGORER-SNVBAGLBSA-N -1 1 277.393 3.663 50 0 CHAAMM CCCCCCc1cc2cc(C(C)=O)c(=O)oc2cc1[O-] ZINC000005929408 170156577 /nfs/dbraw/zinc/15/65/77/170156577.db2.gz BGAZGUZBSNPFDQ-UHFFFAOYSA-N -1 1 288.343 3.824 50 0 biogenic CHAAMM Cc1cc(-c2n[n-]c(=S)n2CC(C)C)cs1 ZINC000006556604 170213415 /nfs/dbraw/zinc/21/34/15/170213415.db2.gz QULQXWHMKKYITQ-UHFFFAOYSA-N -1 1 253.396 3.634 50 0 CHAAMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007409038 170283312 /nfs/dbraw/zinc/28/33/12/170283312.db2.gz VBEKRXNVZKHNNI-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])nc1 ZINC000023054814 171407746 /nfs/dbraw/zinc/40/77/46/171407746.db2.gz ZCIRCFUJVQPTMW-UHFFFAOYSA-N -1 1 278.311 3.501 50 0 CHAAMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000048652222 175441477 /nfs/dbraw/zinc/44/14/77/175441477.db2.gz XSMVVVZJLJZQIO-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CC(C)C(=O)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000000447565 567830601 /nfs/dbraw/zinc/83/06/01/567830601.db2.gz JQDGKMFGFVCAIM-UHFFFAOYSA-N -1 1 296.326 3.795 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000002573490 567848402 /nfs/dbraw/zinc/84/84/02/567848402.db2.gz XQXSDEDZHJIUCK-GHMZBOCLSA-N -1 1 279.796 3.885 50 0 CHAAMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CCC(C)C ZINC000100070138 567911445 /nfs/dbraw/zinc/91/14/45/567911445.db2.gz WIZSKSVILLJOFQ-UHFFFAOYSA-N -1 1 258.365 3.783 50 0 CHAAMM CCCn1c2ccccc2c([O-])c(Cc2ccccc2)c1=O ZINC000100673098 567913682 /nfs/dbraw/zinc/91/36/82/567913682.db2.gz KLOCVDUGNIGCCY-UHFFFAOYSA-N -1 1 293.366 3.708 50 0 CHAAMM Cc1cc(C)c2nc([N-]c3nc(C)cc(C)n3)nc(C)c2c1 ZINC000000273241 567926238 /nfs/dbraw/zinc/92/62/38/567926238.db2.gz HADVUOJWKXFAEY-UHFFFAOYSA-N -1 1 293.374 3.706 50 0 CHAAMM C=Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000002525272 570215184 /nfs/dbraw/zinc/21/51/84/570215184.db2.gz RHDPTOIUYREFCO-UHFFFAOYSA-N -1 1 270.172 3.642 50 0 CHAAMM CC1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000012846621 570340979 /nfs/dbraw/zinc/34/09/79/570340979.db2.gz VCVFBWYJDTUZIV-UHFFFAOYSA-N -1 1 283.371 3.854 50 0 CHAAMM CC(C=C1SC(=O)[N-]C1=S)=Cc1ccccc1 ZINC000004756134 170012882 /nfs/dbraw/zinc/01/28/82/170012882.db2.gz UJEHGCWVJKQHCQ-BGZVTZOUSA-N -1 1 261.371 3.758 50 0 CHAAMM C[C@H]1Oc2ccccc2C=C1C=C1SC(=O)[N-]C1=S ZINC000005347108 170088216 /nfs/dbraw/zinc/08/82/16/170088216.db2.gz JFUDFJGRCDKBKB-HLPMDPMVSA-N -1 1 289.381 3.519 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000007403935 170282730 /nfs/dbraw/zinc/28/27/30/170282730.db2.gz VKZPZLAXFRJYMW-UHFFFAOYSA-N -1 1 287.793 3.511 50 0 CHAAMM CCCCc1ccc(Nc2nc(CCC)cc(=O)[n-]2)cc1 ZINC000008584512 170342405 /nfs/dbraw/zinc/34/24/05/170342405.db2.gz RCSIVKKBQQABIF-UHFFFAOYSA-N -1 1 285.391 3.809 50 0 CHAAMM CN(C(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000035218905 172059215 /nfs/dbraw/zinc/05/92/15/172059215.db2.gz XIAGBYSUZAJIHN-UHFFFAOYSA-N -1 1 277.323 3.822 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@H](C)Oc1ccc(Cl)cc1 ZINC000000163593 567821081 /nfs/dbraw/zinc/82/10/81/567821081.db2.gz ZSVKAUICNCCCPU-QMMMGPOBSA-N -1 1 283.784 3.754 50 0 CHAAMM Cc1cc(Cl)cc2c(=O)c(-c3ccccc3)c([O-])[nH]c12 ZINC000000135997 567819691 /nfs/dbraw/zinc/81/96/91/567819691.db2.gz AZUBXKLDDZETKC-UHFFFAOYSA-N -1 1 285.730 3.863 50 0 CHAAMM Cc1cc(C)c(NC(=O)c2ccccc2[O-])c(C)c1 ZINC000000304013 567824670 /nfs/dbraw/zinc/82/46/70/567824670.db2.gz NGSKFFMLBJPJIR-UHFFFAOYSA-N -1 1 255.317 3.570 50 0 CHAAMM Cc1cc(Cl)ccc1O[C@@H](C)c1n[n-]c(=S)n1C ZINC000002522214 567847422 /nfs/dbraw/zinc/84/74/22/567847422.db2.gz FPEPBEYRTZLFDV-QMMMGPOBSA-N -1 1 283.784 3.580 50 0 CHAAMM CC(C)Cc1ccc([C@@H](C)c2n[n-]c(=S)[nH]2)cc1 ZINC000096193768 567910132 /nfs/dbraw/zinc/91/01/32/567910132.db2.gz CGOSBPJFRUGXNN-SNVBAGLBSA-N -1 1 261.394 3.818 50 0 CHAAMM C[C@H]1CCN(C(=O)c2ccccc2[O-])c2ccccc21 ZINC000000406402 567936175 /nfs/dbraw/zinc/93/61/75/567936175.db2.gz YUNWSDXUWCBDSN-LBPRGKRZSA-N -1 1 267.328 3.546 50 0 CHAAMM COc1ccc(-c2cc([O-])c3c(C)oc(C)c3c(=O)c2)cc1 ZINC000000519667 567942273 /nfs/dbraw/zinc/94/22/73/567942273.db2.gz ZNBVMDQSJSQZRA-UHFFFAOYSA-N -1 1 296.322 3.791 50 0 biogenic CHAAMM O=C(c1cc2ccccc2cc1[O-])N1CCCCCCC1 ZINC000012940091 570347668 /nfs/dbraw/zinc/34/76/68/570347668.db2.gz QGYVKDMNLUWYIL-UHFFFAOYSA-N -1 1 283.371 3.952 50 0 CHAAMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000005127049 170068865 /nfs/dbraw/zinc/06/88/65/170068865.db2.gz TXQBSTLPAFFREO-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM CCCOc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 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CHAAMM Cc1c(Cl)cccc1NC(=O)c1ccccc1[O-] ZINC000006668511 170224686 /nfs/dbraw/zinc/22/46/86/170224686.db2.gz YVOKZSWLWVOQKI-UHFFFAOYSA-N -1 1 261.708 3.606 50 0 CHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000006700274 170229192 /nfs/dbraw/zinc/22/91/92/170229192.db2.gz IERSFPLUBNMLGD-UHFFFAOYSA-N -1 1 293.363 3.552 50 0 CHAAMM CCn1c(=S)[n-]nc1-c1csc2c1CC[C@@H](C)C2 ZINC000006711030 170231219 /nfs/dbraw/zinc/23/12/19/170231219.db2.gz UYBKIDBXIWDHQS-MRVPVSSYSA-N -1 1 279.434 3.814 50 0 CHAAMM Cc1cccc(-c2nc3c(c(=O)[n-]2)Cc2ccccc2O3)c1 ZINC000006748573 170239954 /nfs/dbraw/zinc/23/99/54/170239954.db2.gz ZUGHZWYLMZCSNN-UHFFFAOYSA-N -1 1 290.322 3.854 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000008339810 170332229 /nfs/dbraw/zinc/33/22/29/170332229.db2.gz GUVZGKRXASSIMU-NWDGAFQWSA-N -1 1 259.378 3.540 50 0 CHAAMM Cc1ccccc1Nc1nc(C)c(CCC(C)C)c(=O)[n-]1 ZINC000009009911 170361443 /nfs/dbraw/zinc/36/14/43/170361443.db2.gz KIVFUIWQSXDLSD-UHFFFAOYSA-N -1 1 285.391 3.719 50 0 CHAAMM COc1cccc(-c2noc([N-]c3cccc(C)c3)n2)c1 ZINC000071928089 176302082 /nfs/dbraw/zinc/30/20/82/176302082.db2.gz QENWIXQBAVURKW-UHFFFAOYSA-N -1 1 281.315 3.797 50 0 CHAAMM O=[P@]([O-])(O)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000065475843 567007714 /nfs/dbraw/zinc/00/77/14/567007714.db2.gz ZFFFHKYAHRMQJM-CYBMUJFWSA-N -1 1 297.678 3.628 50 0 CHAAMM CCc1ccc(C(=O)c2c[n-]c3ccc(F)cc3c2=O)cc1 ZINC000000248801 567822758 /nfs/dbraw/zinc/82/27/58/567822758.db2.gz KLARQSPOVMTYRJ-UHFFFAOYSA-N -1 1 295.313 3.873 50 0 CHAAMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000241744 567822816 /nfs/dbraw/zinc/82/28/16/567822816.db2.gz XLAJPSBESDKJHJ-UHFFFAOYSA-N -1 1 295.791 3.703 50 0 CHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCc1ccccc1 ZINC000000386444 567828290 /nfs/dbraw/zinc/82/82/90/567828290.db2.gz LXEOSKKNXJCQKO-UHFFFAOYSA-N -1 1 280.323 3.592 50 0 CHAAMM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccccc1 ZINC000000397785 567828884 /nfs/dbraw/zinc/82/88/84/567828884.db2.gz XOVRAMKLFPYFHF-UHFFFAOYSA-N -1 1 297.379 3.949 50 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CCc1c(C)scc1-c1n[n-]c(=S)n1CC ZINC000006359067 170195245 /nfs/dbraw/zinc/19/52/45/170195245.db2.gz ZFCWPEMEWNEZHA-UHFFFAOYSA-N -1 1 253.396 3.560 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1cccn1-c1ccccc1 ZINC000009088442 170362974 /nfs/dbraw/zinc/36/29/74/170362974.db2.gz DLAQFBYDBMSXHG-FMIVXFBMSA-N -1 1 286.381 3.806 50 0 CHAAMM COc1ccc(-c2noc([N-]c3ccccc3C)n2)cc1 ZINC000021158354 171298697 /nfs/dbraw/zinc/29/86/97/171298697.db2.gz KEFFLDMFLMFIGV-UHFFFAOYSA-N -1 1 281.315 3.797 50 0 CHAAMM O=C(Nc1ccc(O)cc1)c1cc2ccccc2cc1[O-] ZINC000003190822 567162292 /nfs/dbraw/zinc/16/22/92/567162292.db2.gz VSGDHUXKHRQXMJ-UHFFFAOYSA-N -1 1 279.295 3.503 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1ccc2ccccc2c1O ZINC000003211601 567163605 /nfs/dbraw/zinc/16/36/05/567163605.db2.gz UOSQPJQCLMWXSK-YRNVUSSQSA-N -1 1 287.365 3.875 50 0 CHAAMM CC(C)(C)c1ccc(-c2nc(=O)[n-]n2-c2ccccc2)cc1 ZINC000000104250 567818570 /nfs/dbraw/zinc/81/85/70/567818570.db2.gz MLJPUSSCLJDNCV-UHFFFAOYSA-N -1 1 293.370 3.937 50 0 CHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000000335700 567825503 /nfs/dbraw/zinc/82/55/03/567825503.db2.gz DKZNFOUXEXTWDY-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000000383762 567828158 /nfs/dbraw/zinc/82/81/58/567828158.db2.gz SUEBLUQEUZFRMU-UHFFFAOYSA-N -1 1 299.754 3.588 50 0 CHAAMM CCCCCc1c(C)nc(SCCCC)[n-]c1=O ZINC000002191065 567845169 /nfs/dbraw/zinc/84/51/69/567845169.db2.gz GEOQLHKANOUEFK-UHFFFAOYSA-N -1 1 268.426 3.703 50 0 CHAAMM O=c1cc(-c2ccccc2)nc(SCc2ccccc2)[n-]1 ZINC000018284418 567876968 /nfs/dbraw/zinc/87/69/68/567876968.db2.gz WRDMBAGAWMSBHV-UHFFFAOYSA-N -1 1 294.379 3.729 50 0 CHAAMM O=C([O-])[C@H]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000034939266 567889111 /nfs/dbraw/zinc/88/91/11/567889111.db2.gz JJVOPJNIGSYPNV-ZJUUUORDSA-N -1 1 278.739 3.575 50 0 CHAAMM COc1ccc(-c2ccc([O-])c(Cl)c2)c(F)c1 ZINC000065343301 567898393 /nfs/dbraw/zinc/89/83/93/567898393.db2.gz DEAFOHQPNYCABT-UHFFFAOYSA-N -1 1 252.672 3.860 50 0 CHAAMM COc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000016505232 570355888 /nfs/dbraw/zinc/35/58/88/570355888.db2.gz ZGZIWJXBOGSHNI-UHFFFAOYSA-N -1 1 293.322 3.806 50 0 CHAAMM Cc1ccc2nc(S[C@H](C(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000003848328 956869331 /nfs/dbraw/zinc/86/93/31/956869331.db2.gz PRJIEAHSJLTVBI-AWEZNQCLSA-N -1 1 298.367 3.789 50 0 CHAAMM [O-]c1c(-c2ccccc2O)cc(Cl)c2cccnc12 ZINC000090715335 180029317 /nfs/dbraw/zinc/02/93/17/180029317.db2.gz LYSTVVWUURZPGM-UHFFFAOYSA-N -1 1 271.703 3.966 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(C)c1 ZINC000007053107 170264140 /nfs/dbraw/zinc/26/41/40/170264140.db2.gz VUMNCNRVXUNKTG-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM CCCCCc1c(C)nc(Nc2ccccc2)[n-]c1=O ZINC000008602394 170342790 /nfs/dbraw/zinc/34/27/90/170342790.db2.gz XXTRZRAOPQYIPF-UHFFFAOYSA-N -1 1 271.364 3.555 50 0 CHAAMM Cc1cc(C)cc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000008844090 170357443 /nfs/dbraw/zinc/35/74/43/170357443.db2.gz YLFJPEHHXTTXPY-UHFFFAOYSA-N -1 1 291.354 3.797 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000143564 567820065 /nfs/dbraw/zinc/82/00/65/567820065.db2.gz OQYSDZCKDSRSTB-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 CHAAMM [O-]c1ccc(Cl)cc1-c1cc(C(F)(F)F)on1 ZINC000000237599 567822741 /nfs/dbraw/zinc/82/27/41/567822741.db2.gz KEMDXDPWPFAJBO-UHFFFAOYSA-N -1 1 263.602 3.719 50 0 CHAAMM O=C1[N-]C(=S)SC1=Cc1c(O)ccc2ccccc21 ZINC000002536879 567847697 /nfs/dbraw/zinc/84/76/97/567847697.db2.gz FCDWTZXDSQZIES-KPKJPENVSA-N -1 1 287.365 3.875 50 0 CHAAMM CCn1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000002791565 567849611 /nfs/dbraw/zinc/84/96/11/567849611.db2.gz XQXSDEDZHJIUCK-WDEREUQCSA-N -1 1 279.796 3.885 50 0 CHAAMM Cc1ccc(-c2cc([O-])cc3sc(=O)oc32)cc1C ZINC000004124388 567855491 /nfs/dbraw/zinc/85/54/91/567855491.db2.gz XDHMTRGJMDBJTH-UHFFFAOYSA-N -1 1 272.325 3.844 50 0 CHAAMM CC(C)c1ccc(-c2nonc2[N-]C(=O)c2ccco2)cc1 ZINC000013735734 567867559 /nfs/dbraw/zinc/86/75/59/567867559.db2.gz RZJJZIVIEGYUOJ-UHFFFAOYSA-N -1 1 297.314 3.705 50 0 CHAAMM Cc1[nH]c2ccccc2c1C=C1SC(=S)[N-]C1=O ZINC000015933437 567871968 /nfs/dbraw/zinc/87/19/68/567871968.db2.gz UVIPMLZWLKVILY-IZZDOVSWSA-N -1 1 274.370 3.805 50 0 CHAAMM Cc1cc(Nc2cccc(C(=O)[O-])c2)c2cccc(C)c2n1 ZINC000019912101 567879782 /nfs/dbraw/zinc/87/97/82/567879782.db2.gz LRNZTGOCCMNPAA-UHFFFAOYSA-N -1 1 292.338 3.715 50 0 CHAAMM CCc1noc(C)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000097117509 567904708 /nfs/dbraw/zinc/90/47/08/567904708.db2.gz PMIXBHDABIDGNG-UHFFFAOYSA-N -1 1 295.726 3.548 50 0 CHAAMM CC(C)Cc1ccc([C@H](C)c2n[n-]c(=S)[nH]2)cc1 ZINC000096193769 567910067 /nfs/dbraw/zinc/91/00/67/567910067.db2.gz CGOSBPJFRUGXNN-JTQLQIEISA-N -1 1 261.394 3.818 50 0 CHAAMM Cc1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000023496123 567948694 /nfs/dbraw/zinc/94/86/94/567948694.db2.gz DAIIPNSQKHMXGH-UHFFFAOYSA-N -1 1 295.338 3.719 50 0 CHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000048652400 570299004 /nfs/dbraw/zinc/29/90/04/570299004.db2.gz KSAJJQWSDYRHJO-UHFFFAOYSA-N -1 1 295.791 3.758 50 0 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