smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000186970301 837509930 /nfs/dbraw/zinc/50/99/30/837509930.db2.gz RCLFZEKFQLLOTP-INIZCTEOSA-N -1 0 375.425 3.663 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005013814 843336886 /nfs/dbraw/zinc/33/68/86/843336886.db2.gz XPILEFALUNYFDR-LSDHHAIUSA-N -1 0 392.883 3.796 50 0 GHAARM CN1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(=O)[O-])C1 ZINC000020335333 858988561 /nfs/dbraw/zinc/98/85/61/858988561.db2.gz AZYNQQDTPZVPIL-UHFFFAOYSA-N -1 0 385.272 3.993 50 0 GHAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1C ZINC000013348675 859889995 /nfs/dbraw/zinc/88/99/95/859889995.db2.gz ARUJJCZITKTKGJ-UHFFFAOYSA-N -1 0 390.490 3.929 50 0 GHAARM N#C/C(=C/c1ccc(OCC(=O)[O-])c(Br)c1)C(=O)c1cccs1 ZINC000170642522 860498866 /nfs/dbraw/zinc/49/88/66/860498866.db2.gz CCUPIUMDILQYMB-WDZFZDKYSA-N -1 0 392.230 3.764 50 0 GHAARM O=S(=O)([N-]c1cnn(C[C@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl ZINC000390829234 860504717 /nfs/dbraw/zinc/50/47/17/860504717.db2.gz XQADCZCQCNEAPO-CYBMUJFWSA-N -1 0 390.292 3.560 50 0 GHAARM O=C([O-])c1ccn(-c2ccccc2NC(=O)CCc2ccc(Cl)s2)n1 ZINC000095424657 860575386 /nfs/dbraw/zinc/57/53/86/860575386.db2.gz YNZABOAYYBOIRN-UHFFFAOYSA-N -1 0 375.837 3.857 50 0 GHAARM Cc1noc(C)c1CSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)s1 ZINC000095463978 860593581 /nfs/dbraw/zinc/59/35/81/860593581.db2.gz LDYZKTWCWAWEAZ-NSHDSACASA-N -1 0 388.898 3.572 50 0 GHAARM CC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000095944174 860710367 /nfs/dbraw/zinc/71/03/67/860710367.db2.gz WPHHCLXHEZQVMF-UHFFFAOYSA-N -1 0 379.429 3.796 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)c1 ZINC000096379562 860907487 /nfs/dbraw/zinc/90/74/87/860907487.db2.gz UZQBGIXOSPWNBA-UHFFFAOYSA-N -1 0 378.479 3.513 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3noc(CC)n3)cs2)cc1 ZINC000021702064 860910625 /nfs/dbraw/zinc/91/06/25/860910625.db2.gz ICZPQGGZLJURKU-UHFFFAOYSA-N -1 0 379.463 3.560 50 0 GHAARM C[C@H]1CCn2ncc(C(=O)N3CCC([C@H](CC(=O)[O-])c4ccccc4)CC3)c2C1 ZINC000621544414 884831474 /nfs/dbraw/zinc/83/14/74/884831474.db2.gz WDXPTECZTFZOKQ-QFBILLFUSA-N -1 0 395.503 3.576 50 0 GHAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)N(C)Cc3ccccc3)c2=O)sc1C ZINC000021803635 893304072 /nfs/dbraw/zinc/30/40/72/893304072.db2.gz JIPLZMNPPVKECQ-UHFFFAOYSA-N -1 0 384.505 3.551 50 0 GHAARM COC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c([O-])c2ccccc2oc1=O ZINC000217716451 894260648 /nfs/dbraw/zinc/26/06/48/894260648.db2.gz PKCOUSVKRBSCJH-INIZCTEOSA-N -1 0 378.380 3.621 50 0 biogenic GHAARM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000952978598 904658186 /nfs/dbraw/zinc/65/81/86/904658186.db2.gz RBXJBYCEPZKSSW-QFIPXVFZSA-N -1 0 398.890 3.809 50 0 GHAARM CN(Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000426430737 530022725 /nfs/dbraw/zinc/02/27/25/530022725.db2.gz MTNSIVZUSFPBBK-UHFFFAOYSA-N -1 0 393.834 3.651 50 0 GHAARM COc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626629 204014907 /nfs/dbraw/zinc/01/49/07/204014907.db2.gz VZDWRYHVLNLIKC-IBGZPJMESA-N -1 0 385.460 3.704 50 0 GHAARM O=C([O-])c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1 ZINC000004038076 204024900 /nfs/dbraw/zinc/02/49/00/204024900.db2.gz DTCUKYSBRUYMAC-UHFFFAOYSA-N -1 0 380.366 3.852 50 0 GHAARM C[C@H]1CCc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c32)C1 ZINC000004812099 204077972 /nfs/dbraw/zinc/07/79/72/204077972.db2.gz ZUAXFHMGDKFBFA-NSHDSACASA-N -1 0 386.498 3.749 50 0 GHAARM CCOc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000004869141 204084226 /nfs/dbraw/zinc/08/42/26/204084226.db2.gz IMFDUTKFLBZLLQ-UHFFFAOYSA-N -1 0 378.222 3.727 50 0 GHAARM Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000004902121 204088527 /nfs/dbraw/zinc/08/85/27/204088527.db2.gz LXJGLXAANUMNTH-MDZDMXLPSA-N -1 0 386.473 3.699 50 0 GHAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cccc(C)c1 ZINC000004648626 204059421 /nfs/dbraw/zinc/05/94/21/204059421.db2.gz JIYPQMSOFITGHZ-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3OC)/c(=N/O)oc2c1 ZINC000004663328 204061214 /nfs/dbraw/zinc/06/12/14/204061214.db2.gz BOSKSAMXEKMZCQ-LNVKXUELSA-N -1 0 381.432 3.830 50 0 GHAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000004677607 204062693 /nfs/dbraw/zinc/06/26/93/204062693.db2.gz MUZFGXZIDUROPZ-UHFFFAOYSA-N -1 0 385.894 3.868 50 0 GHAARM Cc1cccc(N2CCN(Cc3n[n-]c(=S)n3-c3ccccc3)CC2)c1C ZINC000004982052 204099716 /nfs/dbraw/zinc/09/97/16/204099716.db2.gz DRCWWGWWRKZTMA-UHFFFAOYSA-N -1 0 379.533 3.869 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 ZINC000005022375 204103936 /nfs/dbraw/zinc/10/39/36/204103936.db2.gz PCTHQAQYEAGXLE-AWEZNQCLSA-N -1 0 391.221 3.585 50 0 GHAARM CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000005046939 204107627 /nfs/dbraw/zinc/10/76/27/204107627.db2.gz FMTSPSFBZUMWFK-UHFFFAOYSA-N -1 0 392.864 3.952 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000006328807 204174045 /nfs/dbraw/zinc/17/40/45/204174045.db2.gz LWEJBECPJYRTJC-UHFFFAOYSA-N -1 0 393.795 3.759 50 0 GHAARM CCn1c2ccccc2c(CC(=O)Nc2cc(OC)ccc2OC)c1C(=O)[O-] ZINC000006720674 204194653 /nfs/dbraw/zinc/19/46/53/204194653.db2.gz BKUMZAUQCVPDNI-UHFFFAOYSA-N -1 0 382.416 3.558 50 0 GHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000007005437 204229478 /nfs/dbraw/zinc/22/94/78/204229478.db2.gz YWNDRZRHMGKRDD-UHFFFAOYSA-N -1 0 380.372 3.738 50 0 GHAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2csc(C)n2)cc1 ZINC000007726313 204247631 /nfs/dbraw/zinc/24/76/31/204247631.db2.gz YVGRWQRHGMCFPC-UHFFFAOYSA-N -1 0 388.470 3.706 50 0 GHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1 ZINC000007729027 204248146 /nfs/dbraw/zinc/24/81/46/204248146.db2.gz MQDBEJSTMPQHFS-UHFFFAOYSA-N -1 0 385.342 3.831 50 0 GHAARM O=c1c2c(nc3[n-]ncn31)nc1c(c2-c2ccc(F)cc2)CCc2ccccc2-1 ZINC000008716854 204286419 /nfs/dbraw/zinc/28/64/19/204286419.db2.gz ZPKDJXACLJIATK-UHFFFAOYSA-N -1 0 383.386 3.538 50 0 GHAARM Cc1[nH]c2[n-]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1Cc1ccccc1 ZINC000008768191 204289976 /nfs/dbraw/zinc/28/99/76/204289976.db2.gz UXIBRKGTADVLAN-UHFFFAOYSA-N -1 0 388.452 3.516 50 0 GHAARM CCCCOc1ccc(C2=N/C(=C\c3ccccc3OCC(=O)[O-])C(=O)O2)cc1 ZINC000008180083 204264310 /nfs/dbraw/zinc/26/43/10/204264310.db2.gz HFRBKKCKBSQYRL-AQTBWJFISA-N -1 0 395.411 3.673 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1C(=O)N1CCCCC1 ZINC000009684395 204319419 /nfs/dbraw/zinc/31/94/19/204319419.db2.gz ZKKFVFJCUGOKPO-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684407 204319888 /nfs/dbraw/zinc/31/98/88/204319888.db2.gz DPOOVQQSASFZHN-UHFFFAOYSA-N -1 0 389.521 3.621 50 0 GHAARM O=C([O-])c1cc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)ccc1O ZINC000020096619 204700974 /nfs/dbraw/zinc/70/09/74/204700974.db2.gz ULDLKNLHMCYNKY-UHFFFAOYSA-N -1 0 382.397 3.657 50 0 GHAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nccs1 ZINC000038528726 205037385 /nfs/dbraw/zinc/03/73/85/205037385.db2.gz WSMJGKBXDVPSJT-QGZVFWFLSA-N -1 0 380.425 3.808 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)s2)cc1 ZINC000049549356 205128095 /nfs/dbraw/zinc/12/80/95/205128095.db2.gz LIPDGCARWFUZLZ-MRXNPFEDSA-N -1 0 382.441 3.683 50 0 GHAARM COc1c(C)cc([C@@H](C(=O)[O-])N(Cc2cccnc2)Cc2cccnc2)cc1C ZINC000055368567 205146647 /nfs/dbraw/zinc/14/66/47/205146647.db2.gz HVLAGGNOSYYTJS-NRFANRHFSA-N -1 0 391.471 3.930 50 0 GHAARM CCOC(=O)c1c(=O)[nH]c2scc(-c3ccc(Br)cc3)c2c1[O-] ZINC000057315551 205156858 /nfs/dbraw/zinc/15/68/58/205156858.db2.gz FZUOTARYQNOCQI-UHFFFAOYSA-N -1 0 394.246 3.901 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000064947346 205201711 /nfs/dbraw/zinc/20/17/11/205201711.db2.gz UNJUTIDJEUICHO-UHFFFAOYSA-N -1 0 377.416 3.877 50 0 GHAARM CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)CCc1c(C)nn(C)c1C ZINC000064820810 205197261 /nfs/dbraw/zinc/19/72/61/205197261.db2.gz VYKIJSBOYLRNGE-UHFFFAOYSA-N -1 0 386.496 3.543 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000068351900 205272578 /nfs/dbraw/zinc/27/25/78/205272578.db2.gz RQJARZSAMVURIS-HZPDHXFCSA-N -1 0 386.835 3.920 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1Cl ZINC000078938548 205377700 /nfs/dbraw/zinc/37/77/00/205377700.db2.gz UTEBTXKSBWQVNG-UHFFFAOYSA-N -1 0 392.820 3.858 50 0 GHAARM Cn1c(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c([O-])c2ccccc21 ZINC000100658498 205609502 /nfs/dbraw/zinc/60/95/02/205609502.db2.gz ISKZMHQYNJAHGT-UHFFFAOYSA-N -1 0 385.832 3.760 50 0 GHAARM Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000002827735 205814459 /nfs/dbraw/zinc/81/44/59/205814459.db2.gz STZYQEAFWXWRGW-UHFFFAOYSA-N -1 0 386.473 3.709 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000016648786 205906367 /nfs/dbraw/zinc/90/63/67/205906367.db2.gz ARCUUSMXLHOIOB-UHFFFAOYSA-N -1 0 389.271 3.544 50 0 GHAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000008840918 535385087 /nfs/dbraw/zinc/38/50/87/535385087.db2.gz KHLMGSJSJYGHGA-UHFFFAOYSA-N -1 0 390.480 3.952 50 0 GHAARM Nc1nc(Nc2ccc(Br)cc2)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000000626159 570211374 /nfs/dbraw/zinc/21/13/74/570211374.db2.gz KPBLEOSZIBNXEU-UHFFFAOYSA-N -1 0 392.644 3.986 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21)N1CCCCC1 ZINC000000937413 570230236 /nfs/dbraw/zinc/23/02/36/570230236.db2.gz IMANYNLBHQGMNZ-UHFFFAOYSA-N -1 0 395.484 3.662 50 0 GHAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1 ZINC000001041516 570237620 /nfs/dbraw/zinc/23/76/20/570237620.db2.gz GMWNQDTXFHCFJL-WOJBJXKFSA-N -1 0 376.387 3.786 50 0 GHAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1OCCC(C)C ZINC000013167461 570241104 /nfs/dbraw/zinc/24/11/04/570241104.db2.gz YPHIVRRJMDSHQY-UHFFFAOYSA-N -1 0 383.872 3.710 50 0 GHAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001160189 570251540 /nfs/dbraw/zinc/25/15/40/570251540.db2.gz IZTAVJOIEZSDRN-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccccc1F ZINC000001166647 570252783 /nfs/dbraw/zinc/25/27/83/570252783.db2.gz SUGNTPNZPMTRSN-OVCLIPMQSA-N -1 0 390.798 3.637 50 0 GHAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1Cl ZINC000000718657 570303403 /nfs/dbraw/zinc/30/34/03/570303403.db2.gz NRKFZSMPWRLLHJ-RHSMWYFYSA-N -1 0 379.865 3.716 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000002843503 570307451 /nfs/dbraw/zinc/30/74/51/570307451.db2.gz KDSQGJLMAIFLRB-UHFFFAOYSA-N -1 0 382.688 3.973 50 0 GHAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000022622248 570323869 /nfs/dbraw/zinc/32/38/69/570323869.db2.gz JFLJUDJBRZJDFR-CQSZACIVSA-N -1 0 399.447 3.513 50 0 GHAARM Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000023055147 570342106 /nfs/dbraw/zinc/34/21/06/570342106.db2.gz QSMMHBZUJDQVPU-UHFFFAOYSA-N -1 0 391.449 3.644 50 0 GHAARM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)o1 ZINC000023710233 570369564 /nfs/dbraw/zinc/36/95/64/570369564.db2.gz UALQPSKHBMIKDY-UHFFFAOYSA-N -1 0 390.486 3.723 50 0 GHAARM O=S(=O)([N-]c1cccnc1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557344 570396548 /nfs/dbraw/zinc/39/65/48/570396548.db2.gz XWDCQXDSFXEAFI-UHFFFAOYSA-N -1 0 376.463 3.652 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000237962058 570417716 /nfs/dbraw/zinc/41/77/16/570417716.db2.gz KCFOUTRJVOKSKR-APHBMKBZSA-N -1 0 380.282 3.656 50 0 GHAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccc(Br)cc1 ZINC000000819032 570484669 /nfs/dbraw/zinc/48/46/69/570484669.db2.gz QBUDEWVBCXLTHP-NEPJUHHUSA-N -1 0 388.283 3.885 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000001129159 570534994 /nfs/dbraw/zinc/53/49/94/570534994.db2.gz PUVGGQNRUIHCRW-OALUTQOASA-N -1 0 396.443 3.777 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000033007357 570619970 /nfs/dbraw/zinc/61/99/70/570619970.db2.gz XLXSDFOSOSESQW-UHFFFAOYSA-N -1 0 388.489 3.874 50 0 GHAARM Cc1cc(C)c(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2(O)C(F)(F)F)c(C)c1 ZINC000169692589 570621917 /nfs/dbraw/zinc/62/19/17/570621917.db2.gz WSDOIVIDDHNPSL-SGJUXQJHSA-N -1 0 398.425 3.876 50 0 GHAARM O=C([O-])c1ccccc1Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1 ZINC000001105625 570755160 /nfs/dbraw/zinc/75/51/60/570755160.db2.gz RBRQGIDDMATVSN-UHFFFAOYSA-N -1 0 376.420 3.657 50 0 GHAARM Cc1cc(F)ccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301768 570818674 /nfs/dbraw/zinc/81/86/74/570818674.db2.gz WLHHNYFQGRXQGX-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000101300388 570818750 /nfs/dbraw/zinc/81/87/50/570818750.db2.gz AGVVSZKAFSHSQX-FMQWLBJXSA-N -1 0 386.411 3.784 50 0 GHAARM COc1ccc(Cl)cc1-n1cc(C(=O)c2ccccc2[O-])cc(C(C)=O)c1=O ZINC000014138380 570824634 /nfs/dbraw/zinc/82/46/34/570824634.db2.gz VGCBQQITAXVCKK-UHFFFAOYSA-N -1 0 397.814 3.639 50 0 GHAARM CCn1c(=O)c(-c2nc(-c3ccc(OC)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724794 570829524 /nfs/dbraw/zinc/82/95/24/570829524.db2.gz DFLHDYUZQOIAAA-UHFFFAOYSA-N -1 0 381.363 3.592 50 0 GHAARM CCOc1ccccc1-c1noc(-c2c([O-])c3ccc(F)cc3n(CC)c2=O)n1 ZINC000101724788 570829611 /nfs/dbraw/zinc/82/96/11/570829611.db2.gz WOAIJUOUVQUGRP-UHFFFAOYSA-N -1 0 395.390 3.982 50 0 GHAARM CCOc1ccccc1-c1noc(-c2c([O-])c3cc(F)ccc3n(CC)c2=O)n1 ZINC000101725079 570829927 /nfs/dbraw/zinc/82/99/27/570829927.db2.gz NAQKYUDYXGUAQE-UHFFFAOYSA-N -1 0 395.390 3.982 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cccc(Cl)c4)nn3c2=O)cc1 ZINC000101802935 570835459 /nfs/dbraw/zinc/83/54/59/570835459.db2.gz WNTAZBIBWGHDSG-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM CN(Cc1cccs1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012544807 570846253 /nfs/dbraw/zinc/84/62/53/570846253.db2.gz MMUWFWZFPAYJQU-UHFFFAOYSA-N -1 0 392.527 3.883 50 0 GHAARM C[C@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597623 570855711 /nfs/dbraw/zinc/85/57/11/570855711.db2.gz VCBJECIKFGBQGA-DIFFPNOSSA-N -1 0 379.867 3.804 50 0 GHAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253501 570861534 /nfs/dbraw/zinc/86/15/34/570861534.db2.gz AICOVENSDLPTHY-UHFFFAOYSA-N -1 0 394.468 3.951 50 0 GHAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cnc3ccccc3c2)n1 ZINC000170617733 570875107 /nfs/dbraw/zinc/87/51/07/570875107.db2.gz ZNZFWMGCXYAKDH-UHFFFAOYSA-N -1 0 378.457 3.838 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000103292543 570880822 /nfs/dbraw/zinc/88/08/22/570880822.db2.gz LDXZWGFIZDDBCP-OAHLLOKOSA-N -1 0 393.226 3.744 50 0 GHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCc2ccccc21 ZINC000015563581 570897171 /nfs/dbraw/zinc/89/71/71/570897171.db2.gz NBDYMNPDWZMYRD-UHFFFAOYSA-N -1 0 384.482 3.752 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)cc4)c=3c2=O)c1 ZINC000101078047 570899679 /nfs/dbraw/zinc/89/96/79/570899679.db2.gz HQDVQKPLHVRCNH-HOTGVXAUSA-N -1 0 399.248 3.564 50 0 GHAARM Cc1cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)ccc1F ZINC000101301773 570900502 /nfs/dbraw/zinc/90/05/02/570900502.db2.gz ONUOPVOAPYQDHK-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238067788 570945197 /nfs/dbraw/zinc/94/51/97/570945197.db2.gz JMIQBWJGAHQVBU-HUUCEWRRSA-N -1 0 386.275 3.579 50 0 GHAARM O=C([O-])CCN(C(=O)c1csc(-c2ccccc2Cl)n1)C1CCOCC1 ZINC000238080934 570945793 /nfs/dbraw/zinc/94/57/93/570945793.db2.gz RVUNHGFLFUJPGD-UHFFFAOYSA-N -1 0 394.880 3.559 50 0 GHAARM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012752526 571006075 /nfs/dbraw/zinc/00/60/75/571006075.db2.gz BBLNWUPNPIBALF-VXGBXAGGSA-N -1 0 389.429 3.790 50 0 GHAARM CCCCN1C[C@]2(CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)CCC1=O ZINC000091644503 571021352 /nfs/dbraw/zinc/02/13/52/571021352.db2.gz MCQPOWLWCIBGBE-FQEVSTJZSA-N -1 0 378.900 3.691 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)C2)c1 ZINC000095364343 571057552 /nfs/dbraw/zinc/05/75/52/571057552.db2.gz GTIGIDOKAKFSPP-MRXNPFEDSA-N -1 0 391.427 3.500 50 0 GHAARM C/C(=C/C(=O)N(CCC(=O)[O-])C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000236618822 600963287 /nfs/dbraw/zinc/96/32/87/600963287.db2.gz IDUDIHZEXKUICK-QBFSEMIESA-N -1 0 385.382 3.591 50 0 GHAARM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)cc2)oc1C ZINC000098009154 601325402 /nfs/dbraw/zinc/32/54/02/601325402.db2.gz NBEGEGWSRKPTPX-XGICHPGQSA-N -1 0 398.440 3.857 50 0 GHAARM COc1ccc(CCn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1OC ZINC000003043414 862141101 /nfs/dbraw/zinc/14/11/01/862141101.db2.gz NDQYQBXGRAOWBG-UHFFFAOYSA-N -1 0 376.865 3.972 50 0 GHAARM COC1CN(c2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)C1 ZINC000245026687 856707434 /nfs/dbraw/zinc/70/74/34/856707434.db2.gz NGPJRFOAJMOEKO-UHFFFAOYSA-N -1 0 387.288 3.629 50 0 GHAARM CN1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009165483 856925088 /nfs/dbraw/zinc/92/50/88/856925088.db2.gz QKTBRVFAWRILAY-UHFFFAOYSA-N -1 0 394.880 3.522 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2s1 ZINC000013348645 859889272 /nfs/dbraw/zinc/88/92/72/859889272.db2.gz OYFUAYRSABOUAQ-UHFFFAOYSA-N -1 0 396.881 3.965 50 0 GHAARM CS(=O)(=O)C1=N[N-]c2c(-c3ccc(Cl)cc3)cnn2[C@H]1c1ccccc1 ZINC000618256621 859971811 /nfs/dbraw/zinc/97/18/11/859971811.db2.gz KCRQFWAFMLULCV-INIZCTEOSA-N -1 0 386.864 3.577 50 0 GHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)on1 ZINC000021540611 860827976 /nfs/dbraw/zinc/82/79/76/860827976.db2.gz NASOKDBZOVSAAX-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000066045005 883370837 /nfs/dbraw/zinc/37/08/37/883370837.db2.gz FDJILTBMFNSAEE-QGZVFWFLSA-N -1 0 383.398 3.723 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc1C(F)(F)F ZINC000585081621 897032493 /nfs/dbraw/zinc/03/24/93/897032493.db2.gz APWCKBFIJRGPQS-HNNXBMFYSA-N -1 0 387.379 3.631 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)cc1C(F)(F)F ZINC000585081622 897032684 /nfs/dbraw/zinc/03/26/84/897032684.db2.gz APWCKBFIJRGPQS-OAHLLOKOSA-N -1 0 387.379 3.631 50 0 GHAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCC[C@@H](CNC(=O)C2CCC2)C1 ZINC000952976107 904656280 /nfs/dbraw/zinc/65/62/80/904656280.db2.gz QDQPFNPMSKLPHJ-INIZCTEOSA-N -1 0 393.487 3.580 50 0 GHAARM O=C([O-])CCCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000096663482 914903734 /nfs/dbraw/zinc/90/37/34/914903734.db2.gz YYSJOVLIILHPHL-XFXZXTDPSA-N -1 0 387.429 3.744 50 0 GHAARM Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)c1 ZINC000004840335 204080172 /nfs/dbraw/zinc/08/01/72/204080172.db2.gz YHYMQILPJXRWLR-UHFFFAOYSA-N -1 0 398.271 3.830 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000004863196 204082751 /nfs/dbraw/zinc/08/27/51/204082751.db2.gz BKYZHVABKWQOFK-AWEZNQCLSA-N -1 0 391.221 3.585 50 0 GHAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccccc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004661711 204061114 /nfs/dbraw/zinc/06/11/14/204061114.db2.gz RCVSPZXXCRHDHH-PFONDFGASA-N -1 0 399.878 3.636 50 0 GHAARM CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004689753 204064370 /nfs/dbraw/zinc/06/43/70/204064370.db2.gz AJRDTVPAPAMIKF-LJQANCHMSA-N -1 0 382.460 3.888 50 0 GHAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000005101469 204111592 /nfs/dbraw/zinc/11/15/92/204111592.db2.gz WGYFXIIMGASPQX-HMMYKYKNSA-N -1 0 386.407 3.794 50 0 GHAARM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000005136521 204113832 /nfs/dbraw/zinc/11/38/32/204113832.db2.gz OCRDOYJDMYORIE-UHFFFAOYSA-N -1 0 388.470 3.735 50 0 GHAARM COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])c1OC ZINC000005017759 204103755 /nfs/dbraw/zinc/10/37/55/204103755.db2.gz QGRQUNJDKLUDDU-GOSISDBHSA-N -1 0 396.443 3.636 50 0 GHAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000005984805 204160708 /nfs/dbraw/zinc/16/07/08/204160708.db2.gz NOHJPRJHIPDDHW-WVDJIFEKSA-N -1 0 399.443 3.622 50 0 GHAARM Cc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)s1 ZINC000006431800 204178621 /nfs/dbraw/zinc/17/86/21/204178621.db2.gz MURBISKWKKNBNW-RAXLEYEMSA-N -1 0 383.516 3.528 50 0 GHAARM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cnn2c1ncc1c2CCCCC1 ZINC000006943640 204226569 /nfs/dbraw/zinc/22/65/69/204226569.db2.gz ITMHJIPTNLDRDF-UHFFFAOYSA-N -1 0 396.319 3.946 50 0 GHAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009015700 204296842 /nfs/dbraw/zinc/29/68/42/204296842.db2.gz FXBHAMCQOUDECR-PTNGSMBKSA-N -1 0 395.381 3.802 50 0 GHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1cccc([C@H](C)O)c1 ZINC000009530505 204315636 /nfs/dbraw/zinc/31/56/36/204315636.db2.gz CZAOXLXXLZXXIN-NSHDSACASA-N -1 0 387.819 3.695 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cc1OC ZINC000011615635 204348198 /nfs/dbraw/zinc/34/81/98/204348198.db2.gz MPJMSXMXWBROCT-UHFFFAOYSA-N -1 0 384.866 3.768 50 0 GHAARM Cc1nc(SCc2c(C(=O)[O-])sc3cccc(F)c32)sc1CC(N)=O ZINC000032883601 204926023 /nfs/dbraw/zinc/92/60/23/204926023.db2.gz AZJOJMNRMYYNAG-UHFFFAOYSA-N -1 0 396.490 3.824 50 0 GHAARM COC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000040122752 205055268 /nfs/dbraw/zinc/05/52/68/205055268.db2.gz PDZKNWMMJFDCHH-UHFFFAOYSA-N -1 0 377.849 3.856 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000299742074 205098121 /nfs/dbraw/zinc/09/81/21/205098121.db2.gz GSHHYIAEMRUCQD-VBNZEHGJSA-N -1 0 380.282 3.656 50 0 GHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049549387 205129142 /nfs/dbraw/zinc/12/91/42/205129142.db2.gz XRVWDPGFAIBUDM-INIZCTEOSA-N -1 0 384.432 3.683 50 0 GHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)ccc1O ZINC000061719155 205183625 /nfs/dbraw/zinc/18/36/25/205183625.db2.gz SUULDDYNKHFGPZ-GFCCVEGCSA-N -1 0 396.374 3.503 50 0 GHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1 ZINC000065031386 205207017 /nfs/dbraw/zinc/20/70/17/205207017.db2.gz YTUXSZKDMCRHIY-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C(C)C)nn21 ZINC000065184034 205215450 /nfs/dbraw/zinc/21/54/50/205215450.db2.gz XJZVFMHDJOMFDZ-UHFFFAOYSA-N -1 0 394.522 3.847 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246297 205222073 /nfs/dbraw/zinc/22/20/73/205222073.db2.gz QTVXGYRDLJCMNZ-UHFFFAOYSA-N -1 0 397.840 3.916 50 0 GHAARM O=S(=O)([N-]c1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc(F)cc1F ZINC000072273200 205318521 /nfs/dbraw/zinc/31/85/21/205318521.db2.gz GGEOKCVOSAJSEP-UHFFFAOYSA-N -1 0 375.356 3.902 50 0 GHAARM O=S(=O)([N-]c1ccc2[nH]c(-c3ccco3)nc2c1)c1cc(F)ccc1F ZINC000072273198 205318831 /nfs/dbraw/zinc/31/88/31/205318831.db2.gz SMVXBOBXUHUMCQ-UHFFFAOYSA-N -1 0 375.356 3.902 50 0 GHAARM CSCc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1F ZINC000237398329 205681851 /nfs/dbraw/zinc/68/18/51/205681851.db2.gz VWYJIQNJLACWKR-UHFFFAOYSA-N -1 0 387.476 3.947 50 0 GHAARM Cc1nc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c(-c2ccccc2)s1 ZINC000225611155 206061353 /nfs/dbraw/zinc/06/13/53/206061353.db2.gz NXFLWPRYYDHDJT-UHFFFAOYSA-N -1 0 382.898 3.615 50 0 GHAARM CN(C[C@H]1COCCO1)c1nc(-c2csc3ccccc23)ccc1C(=O)[O-] ZINC000299782558 206190631 /nfs/dbraw/zinc/19/06/31/206190631.db2.gz VXSRRMIXTGKEEG-ZDUSSCGKSA-N -1 0 384.457 3.513 50 0 GHAARM CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)[O-])CC4)nccn3n2)cc1 ZINC000067225250 136164540 /nfs/dbraw/zinc/16/45/40/136164540.db2.gz IMKIKGRMVJVVDL-UHFFFAOYSA-N -1 0 394.475 3.876 50 0 GHAARM O=C([O-])Cn1nccc1[C@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000426394762 534510936 /nfs/dbraw/zinc/51/09/36/534510936.db2.gz XXOFDIMENLLJBS-AWEZNQCLSA-N -1 0 386.452 3.614 50 0 GHAARM C[C@H](Oc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000096124560 525929600 /nfs/dbraw/zinc/92/96/00/525929600.db2.gz NVNTYZUKQMMXBA-PHATZWCLSA-N -1 0 388.803 3.859 50 0 GHAARM COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000000538627 570210647 /nfs/dbraw/zinc/21/06/47/570210647.db2.gz OUJTZYPIHDYQMC-LJQANCHMSA-N -1 0 378.428 3.516 50 0 fda GHAARM CC(=O)Nc1c(Br)cc(Br)c([O-])c1Br ZINC000000625010 570211179 /nfs/dbraw/zinc/21/11/79/570211179.db2.gz NZMIFEFCJXTIJV-UHFFFAOYSA-N -1 0 387.853 3.638 50 0 GHAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4ccccc4o3)c1)C2=O ZINC000001085679 570241286 /nfs/dbraw/zinc/24/12/86/570241286.db2.gz DWCSLQKDICNPER-UHFFFAOYSA-N -1 0 384.347 3.994 50 0 GHAARM COc1ccccc1-c1nc2ccccc2c(=O)n1[N-]C(=O)c1cccs1 ZINC000001306721 570260540 /nfs/dbraw/zinc/26/05/40/570260540.db2.gz NYQFHMRFRSLCTN-UHFFFAOYSA-N -1 0 377.425 3.518 50 0 GHAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3nc4c(s3)CCCC4)cs2)n1 ZINC000049032263 570261382 /nfs/dbraw/zinc/26/13/82/570261382.db2.gz VKPPLGOMYPTBRB-UHFFFAOYSA-N -1 0 386.506 3.881 50 0 GHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613696 570273628 /nfs/dbraw/zinc/27/36/28/570273628.db2.gz UXSFTJHFNSEWCE-UHFFFAOYSA-N -1 0 384.819 3.568 50 0 GHAARM CCOP(=O)(OCC)[C@H](NC(=O)c1ccco1)C(=O)c1ccc(C)cc1 ZINC000002107280 570274887 /nfs/dbraw/zinc/27/48/87/570274887.db2.gz DNQJTBJYNNQVJS-SFHVURJKSA-N -1 0 379.349 3.793 50 0 GHAARM O=C([O-])c1ccc([C@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 ZINC000020715872 570275493 /nfs/dbraw/zinc/27/54/93/570275493.db2.gz FEJBPYYETGGQND-MRXNPFEDSA-N -1 0 380.454 3.932 50 0 GHAARM CSCC[C@H](NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000020722414 570276348 /nfs/dbraw/zinc/27/63/48/570276348.db2.gz DTJWMQSFQDPFBO-LBPRGKRZSA-N -1 0 384.910 3.708 50 0 GHAARM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000072271989 570302552 /nfs/dbraw/zinc/30/25/52/570302552.db2.gz AVVYJVUEMOHVOD-UHFFFAOYSA-N -1 0 391.448 3.762 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)s1 ZINC000024070678 570378232 /nfs/dbraw/zinc/37/82/32/570378232.db2.gz LLHAACFYNWDXAZ-UHFFFAOYSA-N -1 0 388.518 3.842 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1Br ZINC000006328219 570389890 /nfs/dbraw/zinc/38/98/90/570389890.db2.gz CMLHBDFZMNMLRV-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000237960023 570416518 /nfs/dbraw/zinc/41/65/18/570416518.db2.gz LSLBXDPCXOHNHO-HNNXBMFYSA-N -1 0 390.480 3.519 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)C1 ZINC000237964290 570417732 /nfs/dbraw/zinc/41/77/32/570417732.db2.gz KCFOUTRJVOKSKR-MAZHCROVSA-N -1 0 380.282 3.656 50 0 GHAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000128543086 570461436 /nfs/dbraw/zinc/46/14/36/570461436.db2.gz WZFUMPORRDXMQF-JTQLQIEISA-N -1 0 386.395 3.571 50 0 GHAARM CCC[C@H]1SCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000072288338 570479103 /nfs/dbraw/zinc/47/91/03/570479103.db2.gz WTQCEAQEHUWXFV-OAHLLOKOSA-N -1 0 396.559 3.864 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)cc1Br ZINC000032601643 570512111 /nfs/dbraw/zinc/51/21/11/570512111.db2.gz OJMADSMDXOKAHN-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCCCCC1 ZINC000032962096 570542522 /nfs/dbraw/zinc/54/25/22/570542522.db2.gz HANCVRKYSBGCLC-UHFFFAOYSA-N -1 0 392.452 3.705 50 0 GHAARM COc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1N1CCCC1=O ZINC000005329713 570554731 /nfs/dbraw/zinc/55/47/31/570554731.db2.gz HBPGPBCTIOIEJI-UHFFFAOYSA-N -1 0 396.468 3.776 50 0 GHAARM COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1N1CCCC1=O ZINC000005329637 570554897 /nfs/dbraw/zinc/55/48/97/570554897.db2.gz RMDYNLZLEREINI-UHFFFAOYSA-N -1 0 388.489 3.548 50 0 GHAARM Cc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)o1 ZINC000065215710 570734547 /nfs/dbraw/zinc/73/45/47/570734547.db2.gz PPNCNUFSBHVKET-UHFFFAOYSA-N -1 0 394.452 3.648 50 0 GHAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2s1 ZINC000033116471 570814025 /nfs/dbraw/zinc/81/40/25/570814025.db2.gz FRXMSVFAQKKMNM-UHFFFAOYSA-N -1 0 381.504 3.897 50 0 GHAARM Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)cccc1C(=O)[O-] ZINC000004674702 570820866 /nfs/dbraw/zinc/82/08/66/570820866.db2.gz GPLFCKIWIXTYMQ-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM O=C(Nc1ccccc1F)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723106 570830343 /nfs/dbraw/zinc/83/03/43/570830343.db2.gz FVASFMHJZUQAAV-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM Cc1nc2[n-]c(CNc3cccc(Cl)c3C)nn2c(=O)c1Cc1ccccc1 ZINC000101802856 570835397 /nfs/dbraw/zinc/83/53/97/570835397.db2.gz LFDWDTZHBCZWQX-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(Cl)cc3)c2=O)n1 ZINC000101832733 570836647 /nfs/dbraw/zinc/83/66/47/570836647.db2.gz FALALZYNKQODRD-UHFFFAOYSA-N -1 0 376.869 3.876 50 0 GHAARM COc1ccc(-c2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3Cl)[nH]n2)cc1 ZINC000170592047 570849798 /nfs/dbraw/zinc/84/97/98/570849798.db2.gz BKTOGLKIPQXWGZ-KRWDZBQOSA-N -1 0 399.834 3.685 50 0 GHAARM O=C([O-])COc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1Cl ZINC000170592134 570851259 /nfs/dbraw/zinc/85/12/59/570851259.db2.gz SJIMBTHYEHYEES-UHFFFAOYSA-N -1 0 390.848 3.984 50 0 GHAARM O=C([O-])C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1F ZINC000170592104 570851294 /nfs/dbraw/zinc/85/12/94/570851294.db2.gz YLMGIQGDBPXSTM-HNNXBMFYSA-N -1 0 390.317 3.705 50 0 GHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012604615 570888109 /nfs/dbraw/zinc/88/81/09/570888109.db2.gz ODQDDBBIGDBYCM-UHFFFAOYSA-N -1 0 393.770 3.946 50 0 GHAARM CCc1nc2sc([C@H](c3ccco3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000004585117 570916292 /nfs/dbraw/zinc/91/62/92/570916292.db2.gz GQBZUBNNONTGDU-KRWDZBQOSA-N -1 0 380.473 3.800 50 0 GHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2-c2ccccc2)cc1 ZINC000017021277 570937116 /nfs/dbraw/zinc/93/71/16/570937116.db2.gz KCUFXGICZOOSNT-UHFFFAOYSA-N -1 0 381.453 3.942 50 0 GHAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002099121 570941665 /nfs/dbraw/zinc/94/16/65/570941665.db2.gz DXDVPNKCUWICPB-KRWDZBQOSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237689791 570944571 /nfs/dbraw/zinc/94/45/71/570944571.db2.gz VGWRVBQPCVWJEX-MRXNPFEDSA-N -1 0 398.459 3.931 50 0 GHAARM Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc2sc(N)nc21 ZINC000095374500 571063353 /nfs/dbraw/zinc/06/33/53/571063353.db2.gz IITQVCBGBDVTDA-HNNXBMFYSA-N -1 0 395.484 3.905 50 0 GHAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4cccc(C(=O)[O-])c4)C3)[nH]n2)o1 ZINC000095391027 571072712 /nfs/dbraw/zinc/07/27/12/571072712.db2.gz CGHZXQVJDKOHOS-MRXNPFEDSA-N -1 0 379.416 3.696 50 0 GHAARM CCOc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1OCC(=O)[O-] ZINC000262622115 599895811 /nfs/dbraw/zinc/89/58/11/599895811.db2.gz MZAGCEONNIHMTO-LBPRGKRZSA-N -1 0 377.824 3.693 50 0 GHAARM C[C@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1C(F)(F)F ZINC000237512583 600963462 /nfs/dbraw/zinc/96/34/62/600963462.db2.gz NNVRORSVNOSODB-CYBMUJFWSA-N -1 0 387.398 3.681 50 0 GHAARM CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000002481347 861203509 /nfs/dbraw/zinc/20/35/09/861203509.db2.gz FSBCYGRVLHPYAQ-UHFFFAOYSA-N -1 0 394.383 3.640 50 0 GHAARM CCOc1ccc(/C=C/C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000236884207 843783409 /nfs/dbraw/zinc/78/34/09/843783409.db2.gz YGMMYCVATWPKGH-DHZHZOJOSA-N -1 0 389.398 3.880 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000002762530 861591450 /nfs/dbraw/zinc/59/14/50/861591450.db2.gz AVXVJGDIHAKHFR-UHFFFAOYSA-N -1 0 385.489 3.666 50 0 GHAARM COc1cc2[n-]c(=S)n(CCc3ccc(Cl)cc3)c(=O)c2cc1OC ZINC000003043368 862141135 /nfs/dbraw/zinc/14/11/35/862141135.db2.gz KKBMHNVZBFZART-UHFFFAOYSA-N -1 0 376.865 3.972 50 0 GHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)c1OC ZINC000253433577 855152334 /nfs/dbraw/zinc/15/23/34/855152334.db2.gz YTIGLWKBKJOJPL-GOSISDBHSA-N -1 0 396.443 3.636 50 0 GHAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000038580526 856204785 /nfs/dbraw/zinc/20/47/85/856204785.db2.gz HGQALENYTABBSJ-NRFANRHFSA-N -1 0 395.455 3.795 50 0 GHAARM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000038698753 856243541 /nfs/dbraw/zinc/24/35/41/856243541.db2.gz VEKWKUVUJVAGCS-UHFFFAOYSA-N -1 0 381.457 3.553 50 0 GHAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3cccnc3)cc2[n-]c1=S ZINC000008625521 856299847 /nfs/dbraw/zinc/29/98/47/856299847.db2.gz ZIRYWOOJKKOEEF-UHFFFAOYSA-N -1 0 382.489 3.574 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)s1 ZINC000008977089 856683371 /nfs/dbraw/zinc/68/33/71/856683371.db2.gz QSSWOALXSUOKJD-UHFFFAOYSA-N -1 0 392.546 3.652 50 0 GHAARM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000095424903 860575408 /nfs/dbraw/zinc/57/54/08/860575408.db2.gz CYQHLXKIAIQEGB-FVJLSDCUSA-N -1 0 397.471 3.554 50 0 GHAARM CC(C)c1nnc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000095979831 860731802 /nfs/dbraw/zinc/73/18/02/860731802.db2.gz IPFBZVRRQHFDDO-UHFFFAOYSA-N -1 0 398.254 3.503 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nc(C2CC2)no1 ZINC000096379856 860910430 /nfs/dbraw/zinc/91/04/30/860910430.db2.gz YFUCRZYQORCJBW-UHFFFAOYSA-N -1 0 394.403 3.638 50 0 GHAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000263173373 892463274 /nfs/dbraw/zinc/46/32/74/892463274.db2.gz SJFFELKJEPFMLH-ZBFHGGJFSA-N -1 0 381.432 3.513 50 0 GHAARM COc1ccc(-c2cc3ncc(C(=O)c4cc(Cl)ccc4[O-])cn3n2)cc1 ZINC000021729230 893242615 /nfs/dbraw/zinc/24/26/15/893242615.db2.gz FOJPBCDPFNFKFC-UHFFFAOYSA-N -1 0 379.803 3.995 50 0 GHAARM CSCC[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC000217954948 894790546 /nfs/dbraw/zinc/79/05/46/894790546.db2.gz QPTILSSHJJIPCI-SFHVURJKSA-N -1 0 382.485 3.626 50 0 biogenic GHAARM CCCc1c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cnn1-c1cccc(C)c1 ZINC000630569485 903449601 /nfs/dbraw/zinc/44/96/01/903449601.db2.gz YSYHRBKWESLGEW-NVXWUHKLSA-N -1 0 384.480 3.708 50 0 GHAARM COc1ccc(-c2nc([N-]S(=O)(=O)C=Cc3ccccc3)sc2C)cc1 ZINC000096730973 915009492 /nfs/dbraw/zinc/00/94/92/915009492.db2.gz IIYCBXJUISANQZ-SEYXRHQNSA-N -1 0 386.498 3.962 50 0 GHAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1ccccc1F ZINC000241383176 231039353 /nfs/dbraw/zinc/03/93/53/231039353.db2.gz MTAZQQXADCECOZ-UHFFFAOYSA-N -1 0 375.450 3.558 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c(Br)c1 ZINC000001244356 203899448 /nfs/dbraw/zinc/89/94/48/203899448.db2.gz XCCPZNAQHNNBMX-UHFFFAOYSA-N -1 0 387.233 3.567 50 0 GHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000003435284 204006344 /nfs/dbraw/zinc/00/63/44/204006344.db2.gz SYEVZOSEAGOQBU-UHFFFAOYSA-N -1 0 381.397 3.593 50 0 GHAARM CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@@H]2Cc3c(cccc3OCC(=O)[O-])C[C@H]12 ZINC000003800475 204020349 /nfs/dbraw/zinc/02/03/49/204020349.db2.gz PAJMKGZZBBTTOY-ZFORQUDYSA-N -1 0 390.520 3.583 50 0 fda GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1C ZINC000003947375 204022225 /nfs/dbraw/zinc/02/22/25/204022225.db2.gz ORNDXAWPUIQHPO-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004001661 204022925 /nfs/dbraw/zinc/02/29/25/204022925.db2.gz MVZQECDNSUFKDS-UHFFFAOYSA-N -1 0 399.472 3.961 50 0 GHAARM COc1ccc2ccccc2c1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000004703564 204066137 /nfs/dbraw/zinc/06/61/37/204066137.db2.gz QSERNCAVGKXOFU-UHFFFAOYSA-N -1 0 392.455 3.995 50 0 GHAARM O=C([O-])C[C@H](c1ccc(OC2CCCC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000004745761 204073085 /nfs/dbraw/zinc/07/30/85/204073085.db2.gz DVLCDOBNADJOKY-LJQANCHMSA-N -1 0 379.412 3.820 50 0 GHAARM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000005136586 204113808 /nfs/dbraw/zinc/11/38/08/204113808.db2.gz QSVHDRNQCRYTKK-UHFFFAOYSA-N -1 0 376.453 3.562 50 0 GHAARM CCOc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OCC)c1 ZINC000005464852 204135013 /nfs/dbraw/zinc/13/50/13/204135013.db2.gz SZGGGYVUXYFZGA-ICSRJNTNSA-N -1 0 380.444 3.654 50 0 GHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006315297 204174413 /nfs/dbraw/zinc/17/44/13/204174413.db2.gz ZGBFFJPLTUEFRW-UHFFFAOYSA-N -1 0 394.452 3.942 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2cc(C)cc(C)c2)[n-]c2ccccc2c1=O ZINC000006733025 204197375 /nfs/dbraw/zinc/19/73/75/204197375.db2.gz GEZBDIQLZLPHFK-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000007060947 204232837 /nfs/dbraw/zinc/23/28/37/204232837.db2.gz UBZBCFUPXUNWKR-UHFFFAOYSA-N -1 0 376.869 3.674 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000007428275 204240689 /nfs/dbraw/zinc/24/06/89/204240689.db2.gz YRPDBDNPIKJICX-UHFFFAOYSA-N -1 0 395.433 3.636 50 0 GHAARM COc1ccc(/C=C2\N=C(SCC(=O)[O-])N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000007735895 204248932 /nfs/dbraw/zinc/24/89/32/204248932.db2.gz YHTJFGDAOAINME-WQRHYEAKSA-N -1 0 396.468 3.874 50 0 GHAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000009009865 204296434 /nfs/dbraw/zinc/29/64/34/204296434.db2.gz YYLIKZOJMZVFPY-HTXNQAPBSA-N -1 0 393.443 3.753 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000009646317 204317625 /nfs/dbraw/zinc/31/76/25/204317625.db2.gz FACNTSKXUFAGOH-UHFFFAOYSA-N -1 0 391.470 3.806 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C(=O)N1CCCC1 ZINC000009684057 204319587 /nfs/dbraw/zinc/31/95/87/204319587.db2.gz UKTXFVQWSKWSET-UHFFFAOYSA-N -1 0 395.912 3.630 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1C(=O)N1CCCCC1 ZINC000009684501 204319752 /nfs/dbraw/zinc/31/97/52/204319752.db2.gz CPLNXUUNWAIIFH-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1Cl ZINC000009686563 204320899 /nfs/dbraw/zinc/32/08/99/204320899.db2.gz PDVDKNGTVMJZNX-UHFFFAOYSA-N -1 0 383.882 3.909 50 0 GHAARM CCCc1nnsc1C(=O)[N-]c1nnc(-c2cc3cccc(OC)c3o2)o1 ZINC000036709530 204325301 /nfs/dbraw/zinc/32/53/01/204325301.db2.gz PYHXTNYRKDAWAX-UHFFFAOYSA-N -1 0 385.405 3.548 50 0 GHAARM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(Cl)cc1 ZINC000010423642 204334835 /nfs/dbraw/zinc/33/48/35/204334835.db2.gz IBVJDLQBZKGLAY-HNNXBMFYSA-N -1 0 387.892 3.757 50 0 GHAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000011615699 204348045 /nfs/dbraw/zinc/34/80/45/204348045.db2.gz OZOSEBYEXBCMHN-UHFFFAOYSA-N -1 0 384.457 3.998 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017080226 204606791 /nfs/dbraw/zinc/60/67/91/204606791.db2.gz QIKUMAPRWNUQBR-HUUCEWRRSA-N -1 0 392.521 3.867 50 0 GHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1)N1CCCC1 ZINC000055581188 205149148 /nfs/dbraw/zinc/14/91/48/205149148.db2.gz KMGJRUQILRTVMZ-UHFFFAOYSA-N -1 0 382.844 3.516 50 0 GHAARM Cc1cc(C(=O)N2CCC(C)CC2)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000055651298 205151159 /nfs/dbraw/zinc/15/11/59/205151159.db2.gz KFNGHMQEQOODCU-UHFFFAOYSA-N -1 0 378.519 3.729 50 0 GHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000065183848 205215513 /nfs/dbraw/zinc/21/55/13/205215513.db2.gz HLYJPMURXKMNII-UHFFFAOYSA-N -1 0 384.914 3.985 50 0 GHAARM CSc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)cc1 ZINC000065194136 205216773 /nfs/dbraw/zinc/21/67/73/205216773.db2.gz FILKEXDQZPVEEO-UHFFFAOYSA-N -1 0 392.506 3.523 50 0 GHAARM Cc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccc(C)cc5)c4[nH]c3=O)n2)cc1 ZINC000065256951 205223165 /nfs/dbraw/zinc/22/31/65/205223165.db2.gz UFMNPSGUAULZNS-UHFFFAOYSA-N -1 0 399.410 3.753 50 0 GHAARM COc1cc(-c2nc3cnccn3c2Nc2ccc(C(=O)[O-])cc2)ccc1O ZINC000065322747 205231150 /nfs/dbraw/zinc/23/11/50/205231150.db2.gz ACWUQRSCZTUHJH-UHFFFAOYSA-N -1 0 376.372 3.552 50 0 GHAARM CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3C(=O)[O-])nc2)C1 ZINC000067983498 205270690 /nfs/dbraw/zinc/27/06/90/205270690.db2.gz FWBWTIOQXITNPS-QGZVFWFLSA-N -1 0 394.471 3.914 50 0 GHAARM CCOc1ccc(-c2ccnc(N[C@H]3COC4(CCCC4)C3)n2)cc1C(=O)[O-] ZINC000077302700 205359462 /nfs/dbraw/zinc/35/94/62/205359462.db2.gz SMJQVCAQWOENTJ-OAHLLOKOSA-N -1 0 383.448 3.754 50 0 GHAARM O=C([O-])COc1cccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1 ZINC000095389873 205455291 /nfs/dbraw/zinc/45/52/91/205455291.db2.gz BFEDVXGCUYFPQJ-UHFFFAOYSA-N -1 0 380.400 3.766 50 0 GHAARM Cc1nc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)oc1-c1ccccc1 ZINC000237712593 205684872 /nfs/dbraw/zinc/68/48/72/205684872.db2.gz RROKMSCNZAJCBD-SQNIBIBYSA-N -1 0 382.460 3.827 50 0 GHAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000238082700 205686580 /nfs/dbraw/zinc/68/65/80/205686580.db2.gz GGZNIKCPNJYNHX-CQSZACIVSA-N -1 0 380.322 3.582 50 0 GHAARM COc1ccc2c3c(c(=O)oc2c1O[C@@H](C(=O)[O-])c1ccccc1)CCCC3 ZINC000005547474 205768597 /nfs/dbraw/zinc/76/85/97/205768597.db2.gz AAVOLAGLUBQSRJ-GOSISDBHSA-N -1 0 380.396 3.885 50 0 GHAARM O=C([O-])[C@@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 ZINC000225483690 206051660 /nfs/dbraw/zinc/05/16/60/206051660.db2.gz YMVHWICJMMLBFT-KRWDZBQOSA-N -1 0 379.437 3.577 50 0 GHAARM O=S(=O)([N-]c1nnc(-c2ccc(F)cc2)o1)c1cccc(Cl)c1Cl ZINC000225694619 206067067 /nfs/dbraw/zinc/06/70/67/206067067.db2.gz JYZFJMJWFRWUGU-UHFFFAOYSA-N -1 0 388.207 3.983 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610737 206091506 /nfs/dbraw/zinc/09/15/06/206091506.db2.gz GRSDYVJMYIEISQ-UONOGXRCSA-N -1 0 395.818 3.542 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(Cl)cc2)ccc1F ZINC000252553251 206144625 /nfs/dbraw/zinc/14/46/25/206144625.db2.gz VITCZNQOVMHSDP-UHFFFAOYSA-N -1 0 395.843 3.533 50 0 GHAARM [O-]c1c([C@@H](c2ccc(Br)cc2F)N2CCCC2)sc2ncnn12 ZINC000253409062 206144956 /nfs/dbraw/zinc/14/49/56/206144956.db2.gz LIYRHTLGWYHOMG-GFCCVEGCSA-N -1 0 397.273 3.583 50 0 GHAARM CC(C)Oc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000009669217 221088276 /nfs/dbraw/zinc/08/82/76/221088276.db2.gz WBODNNKEFDGGHW-UHFFFAOYSA-N -1 0 396.472 3.762 50 0 GHAARM CN1c2ccccc2C([O-])=C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O ZINC000100819885 136189375 /nfs/dbraw/zinc/18/93/75/136189375.db2.gz LXMFPEBNMMSROW-UHFFFAOYSA-N -1 0 398.868 3.925 50 0 GHAARM O=C([O-])C1(NC(=O)N(CCC2=CCCCC2)Cc2ccccc2)CCOCC1 ZINC000426509840 534483919 /nfs/dbraw/zinc/48/39/19/534483919.db2.gz CUHQBLBFNURGKM-UHFFFAOYSA-N -1 0 386.492 3.723 50 0 GHAARM O=C([O-])[C@H](Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621909 570210640 /nfs/dbraw/zinc/21/06/40/570210640.db2.gz DXIVJCDZOMUITR-NRFANRHFSA-N -1 0 388.423 3.616 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730787 570222896 /nfs/dbraw/zinc/22/28/96/570222896.db2.gz DNKOCSJLKORVRL-GFCCVEGCSA-N -1 0 392.502 3.566 50 0 GHAARM C[C@@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000784105 570223254 /nfs/dbraw/zinc/22/32/54/570223254.db2.gz NIWFWRJMWPTYMP-CQSZACIVSA-N -1 0 376.453 3.641 50 0 GHAARM COc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000988086 570233223 /nfs/dbraw/zinc/23/32/23/570233223.db2.gz FIFWCEJPVFYKRA-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000001043424 570238011 /nfs/dbraw/zinc/23/80/11/570238011.db2.gz AXQYXLRZXSAVLE-UHFFFAOYSA-N -1 0 392.383 3.962 50 0 GHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000015781954 570245001 /nfs/dbraw/zinc/24/50/01/570245001.db2.gz GFKGZCKDOHZKTQ-SFHVURJKSA-N -1 0 398.459 3.927 50 0 GHAARM COc1ccccc1-c1c(=O)c2ccc(OCC(=O)[O-])cc2oc1C(F)(F)F ZINC000000946485 570264421 /nfs/dbraw/zinc/26/44/21/570264421.db2.gz JQDVDHLDYUJUQS-UHFFFAOYSA-N -1 0 394.301 3.951 50 0 GHAARM O=C([N-]C1=NC(=O)[C@](F)(C(F)(F)F)S1)Nc1ccc(Cl)c(Cl)c1 ZINC000002872257 570313795 /nfs/dbraw/zinc/31/37/95/570313795.db2.gz KAZXGXPXQXRCSE-SNVBAGLBSA-N -1 0 390.145 3.972 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2O)cc1C(N)=O ZINC000328596249 570319990 /nfs/dbraw/zinc/31/99/90/570319990.db2.gz YTGYBPPKIQJZKG-UHFFFAOYSA-N -1 0 375.233 3.692 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006221755 570343881 /nfs/dbraw/zinc/34/38/81/570343881.db2.gz KLTNBKGZTGILEM-ROUUACIJSA-N -1 0 385.464 3.746 50 0 GHAARM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000024222076 570381171 /nfs/dbraw/zinc/38/11/71/570381171.db2.gz CNIBFYCWCPWVRM-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM Cc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cnn1-c1cccc(Cl)c1 ZINC000237752928 570405433 /nfs/dbraw/zinc/40/54/33/570405433.db2.gz CWYMAPGXGSWBPP-CQSZACIVSA-N -1 0 375.856 3.551 50 0 GHAARM CC(=O)Nc1cc(C(=O)CSc2nccn2-c2cccc(C)c2)ccc1[O-] ZINC000026046651 570421882 /nfs/dbraw/zinc/42/18/82/570421882.db2.gz TZUSGKYMXBUADT-UHFFFAOYSA-N -1 0 381.457 3.820 50 0 GHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1Cl ZINC000002472498 570486520 /nfs/dbraw/zinc/48/65/20/570486520.db2.gz JCMVSVKBDLONRR-RHSMWYFYSA-N -1 0 379.865 3.716 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000019772649 570501261 /nfs/dbraw/zinc/50/12/61/570501261.db2.gz UIAHBWHJZBKBPH-AWEZNQCLSA-N -1 0 395.358 3.828 50 0 GHAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1OC)c2=O ZINC000003043678 570531020 /nfs/dbraw/zinc/53/10/20/570531020.db2.gz NLNWFFBIDFUUHZ-ZDUSSCGKSA-N -1 0 397.500 3.644 50 0 GHAARM O=C(CSc1n[n-]c(=S)s1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000119271224 570618100 /nfs/dbraw/zinc/61/81/00/570618100.db2.gz NOWHQXAJQSZFEM-DYVFJYSZSA-N -1 0 377.560 3.847 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000033007139 570619975 /nfs/dbraw/zinc/61/99/75/570619975.db2.gz CIEWTFBMZKBZJS-UHFFFAOYSA-N -1 0 380.441 3.561 50 0 GHAARM O=C([O-])c1cnc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1-c1ccccc1 ZINC000012627650 570691938 /nfs/dbraw/zinc/69/19/38/570691938.db2.gz RGVQMIMRTJRCIW-SFHVURJKSA-N -1 0 393.468 3.683 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cccc(Br)c2)c1=O ZINC000065215463 570733835 /nfs/dbraw/zinc/73/38/35/570733835.db2.gz OSNQHTHLUUGZNJ-UHFFFAOYSA-N -1 0 393.262 3.803 50 0 GHAARM C[C@@H]1CCc2c(sc3nc(=O)n4nc(COc5ccccc5F)[n-]c4c23)C1 ZINC000032682173 570737249 /nfs/dbraw/zinc/73/72/49/570737249.db2.gz KUMAVBBQPPNIBJ-SNVBAGLBSA-N -1 0 384.436 3.888 50 0 GHAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032754916 570797696 /nfs/dbraw/zinc/79/76/96/570797696.db2.gz BOAHFNMYGDJQOD-UHFFFAOYSA-N -1 0 387.482 3.558 50 0 GHAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000101833301 570836707 /nfs/dbraw/zinc/83/67/07/570836707.db2.gz JJOUDJGNTTVIIB-UHFFFAOYSA-N -1 0 386.477 3.540 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000033253365 570861423 /nfs/dbraw/zinc/86/14/23/570861423.db2.gz JPLXSRMURCZJLE-UHFFFAOYSA-N -1 0 390.505 3.984 50 0 GHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C1CC1 ZINC000012584298 570880347 /nfs/dbraw/zinc/88/03/47/570880347.db2.gz QXCCRIPWURLHOO-UHFFFAOYSA-N -1 0 384.379 3.855 50 0 GHAARM COc1ccccc1CNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000016635096 570929362 /nfs/dbraw/zinc/92/93/62/570929362.db2.gz KDLBBCQJJDDBMG-UHFFFAOYSA-N -1 0 391.349 3.535 50 0 GHAARM CCOc1ccc(Cc2n[n-]c(Nc3cc(Cl)ccc3OC)nc2=O)cc1 ZINC000016777461 570932995 /nfs/dbraw/zinc/93/29/95/570932995.db2.gz DNWHPJYIZLQPEU-UHFFFAOYSA-N -1 0 386.839 3.560 50 0 GHAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002097899 570941327 /nfs/dbraw/zinc/94/13/27/570941327.db2.gz ZFHLUKRCGRUOQZ-KRWDZBQOSA-N -1 0 399.443 3.685 50 0 biogenic GHAARM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)cc(C)c1OCc1cccnc1 ZINC000237714622 570944409 /nfs/dbraw/zinc/94/44/09/570944409.db2.gz DMJYJDUDFUINAY-UHFFFAOYSA-N -1 0 382.460 3.651 50 0 GHAARM O=C([O-])CCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C1CCOCC1 ZINC000238076643 570945322 /nfs/dbraw/zinc/94/53/22/570945322.db2.gz VLMGUMQCYJKKJX-UHFFFAOYSA-N -1 0 385.247 3.571 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000238067710 570945337 /nfs/dbraw/zinc/94/53/37/570945337.db2.gz JBDWFKFXOMVPMP-ZIAGYGMSSA-N -1 0 386.275 3.579 50 0 GHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1F ZINC000012652111 570947390 /nfs/dbraw/zinc/94/73/90/570947390.db2.gz XGELNWIVSJSMCW-UHFFFAOYSA-N -1 0 395.456 3.976 50 0 GHAARM CC(C)CCN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1 ZINC000000666572 570949923 /nfs/dbraw/zinc/94/99/23/570949923.db2.gz LCXBESUVNGDHSN-XSFVSMFZSA-N -1 0 381.451 3.769 50 0 GHAARM Cc1cccnc1NC(=O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000001248811 570950252 /nfs/dbraw/zinc/95/02/52/570950252.db2.gz SYRHIDNXHCJCFQ-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)cc1Br ZINC000009063992 570997254 /nfs/dbraw/zinc/99/72/54/570997254.db2.gz HOMRIEVLQZMRAQ-UHFFFAOYSA-N -1 0 375.675 3.915 50 0 GHAARM CC(C)Oc1ncc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000170672018 571008078 /nfs/dbraw/zinc/00/80/78/571008078.db2.gz CSSICEXIKAQOOO-MLGOLLRUSA-N -1 0 376.840 3.714 50 0 GHAARM CCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1OCCC ZINC000095945912 571095676 /nfs/dbraw/zinc/09/56/76/571095676.db2.gz GKGMFTUSEDPWIH-UHFFFAOYSA-N -1 0 393.461 3.763 50 0 GHAARM O=C([O-])c1ccccc1N(Cc1ccccc1)C(=O)CON=Cc1ccccc1 ZINC000254912801 854001246 /nfs/dbraw/zinc/00/12/46/854001246.db2.gz ZJERHAURSIOVLG-UHFFFAOYSA-N -1 0 388.423 3.969 50 0 GHAARM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000031776775 862684211 /nfs/dbraw/zinc/68/42/11/862684211.db2.gz OXVRMDCWPSQEEA-UHFFFAOYSA-N -1 0 392.908 3.721 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1 ZINC000040267803 856718474 /nfs/dbraw/zinc/71/84/74/856718474.db2.gz CRMZJYVBTGIJBN-GOSISDBHSA-N -1 0 396.834 3.941 50 0 GHAARM CCCNC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349333 859889503 /nfs/dbraw/zinc/88/95/03/859889503.db2.gz NEGWEODGKMFXEN-UHFFFAOYSA-N -1 0 390.490 3.629 50 0 GHAARM O=C(Nc1cc(=O)[n-]n1-c1ccccc1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000095458515 860590569 /nfs/dbraw/zinc/59/05/69/860590569.db2.gz TYNFBWXTLZMXRT-UHFFFAOYSA-N -1 0 379.807 3.669 50 0 GHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000095532092 860613987 /nfs/dbraw/zinc/61/39/87/860613987.db2.gz FTDBMULPGXAGKR-FQEVSTJZSA-N -1 0 396.443 3.636 50 0 GHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000021044434 860703582 /nfs/dbraw/zinc/70/35/82/860703582.db2.gz GUIPQBACLQFIJO-GOSISDBHSA-N -1 0 398.459 3.927 50 0 GHAARM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000096035446 860762020 /nfs/dbraw/zinc/76/20/20/860762020.db2.gz ATOGDVXCPRHDMP-FLIBITNWSA-N -1 0 385.363 3.692 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C)n2)cs1 ZINC000021701837 860910121 /nfs/dbraw/zinc/91/01/21/860910121.db2.gz PYDMLOABHQORTB-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263059364 883518487 /nfs/dbraw/zinc/51/84/87/883518487.db2.gz OFOOEWDLCNBIHJ-LLVKDONJSA-N -1 0 377.238 3.849 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000004339537 913572820 /nfs/dbraw/zinc/57/28/20/913572820.db2.gz XIPIZZLFQHNUMX-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)no1 ZINC000021702133 893222318 /nfs/dbraw/zinc/22/23/18/893222318.db2.gz ABICZKQKMNFFTE-UHFFFAOYSA-N -1 0 387.845 3.954 50 0 GHAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(-c4cccs4)o3)cc(Cl)c2O1 ZINC000193124119 904350563 /nfs/dbraw/zinc/35/05/63/904350563.db2.gz KITBPYKUONVNRL-QMMMGPOBSA-N -1 0 397.865 3.576 50 0 GHAARM COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC000096663364 914903520 /nfs/dbraw/zinc/90/35/20/914903520.db2.gz OIQKJKYQLBBZIW-YBEGLDIGSA-N -1 0 380.400 3.726 50 0 GHAARM COc1cccc(OC)c1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000328599251 203759660 /nfs/dbraw/zinc/75/96/60/203759660.db2.gz QWRABKIVOGLTJV-QGZVFWFLSA-N -1 0 396.443 3.555 50 0 GHAARM Cn1cc(Br)c(-c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)n1 ZINC000001030579 203874531 /nfs/dbraw/zinc/87/45/31/203874531.db2.gz OYDXOLQVSHDCIJ-UHFFFAOYSA-N -1 0 394.269 3.679 50 0 GHAARM COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001066530 203879214 /nfs/dbraw/zinc/87/92/14/203879214.db2.gz YCIOEQUOJWPJLD-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM CCc1oc2cc(O[C@H](C)C(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000004023502 204024216 /nfs/dbraw/zinc/02/42/16/204024216.db2.gz RTSZZDYBFBYOIY-GFCCVEGCSA-N -1 0 396.395 3.646 50 0 biogenic GHAARM O=c1[nH]c(-c2cc(Br)cc(Br)c2[O-])nc2ccccc12 ZINC000004735034 204070318 /nfs/dbraw/zinc/07/03/18/204070318.db2.gz UZFLRKAIHSICRL-UHFFFAOYSA-N -1 0 396.038 3.821 50 0 GHAARM COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3O)c(N)c21 ZINC000004413906 204044232 /nfs/dbraw/zinc/04/42/32/204044232.db2.gz OSZOHUKXYUZIDN-UHFFFAOYSA-N -1 0 377.853 3.945 50 0 GHAARM CS(=O)(=O)Nc1ccc(C(=O)CCNc2cccc(C(F)(F)F)c2)cc1 ZINC000004624353 204058756 /nfs/dbraw/zinc/05/87/56/204058756.db2.gz IAEJFJWJVYLYCO-UHFFFAOYSA-N -1 0 386.395 3.762 50 0 GHAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005625207 204143413 /nfs/dbraw/zinc/14/34/13/204143413.db2.gz AGGJWYOSRMLWGO-BZSIDJSBSA-N -1 0 397.862 3.938 50 0 GHAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cccc(C(F)(F)F)c2)C1=O ZINC000009460928 204312852 /nfs/dbraw/zinc/31/28/52/204312852.db2.gz KGAKJXPDHHUEKT-BUHFOSPRSA-N -1 0 383.370 3.660 50 0 GHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)s2)on1 ZINC000009688802 204320454 /nfs/dbraw/zinc/32/04/54/204320454.db2.gz GVHALGPHHJYSGZ-UHFFFAOYSA-N -1 0 396.421 3.520 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3cccc(C)c3nc21 ZINC000009088005 204298806 /nfs/dbraw/zinc/29/88/06/204298806.db2.gz VDNDXAMBUVVSHY-UHFFFAOYSA-N -1 0 384.436 3.853 50 0 GHAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NNc1ccccc1)C(F)(F)F ZINC000009111248 204300332 /nfs/dbraw/zinc/30/03/32/204300332.db2.gz CQEUJZLNGGERID-INIZCTEOSA-N -1 0 396.394 3.757 50 0 GHAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000011615697 204347924 /nfs/dbraw/zinc/34/79/24/204347924.db2.gz DBEUSIDMCGMVJO-UHFFFAOYSA-N -1 0 384.457 3.998 50 0 GHAARM CCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCC)s3)no2)cc1 ZINC000011915147 204361368 /nfs/dbraw/zinc/36/13/68/204361368.db2.gz XWIPQUKJWXILPB-UHFFFAOYSA-N -1 0 376.463 3.956 50 0 GHAARM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1F ZINC000044857817 205088183 /nfs/dbraw/zinc/08/81/83/205088183.db2.gz WRJIDTTXNMZWNH-OAHLLOKOSA-N -1 0 385.844 3.838 50 0 GHAARM CC(C)C[C@@H](NC(=O)c1nc(SCc2ccccc2)ncc1Cl)C(=O)[O-] ZINC000041097698 205076306 /nfs/dbraw/zinc/07/63/06/205076306.db2.gz NNFQTNDLIJDYTQ-CQSZACIVSA-N -1 0 393.896 3.651 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)N2CCCCC2)s1 ZINC000064919707 205200273 /nfs/dbraw/zinc/20/02/73/205200273.db2.gz FUSDZTPAQNNTBC-UHFFFAOYSA-N -1 0 392.546 3.666 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)cc1 ZINC000065008952 205205481 /nfs/dbraw/zinc/20/54/81/205205481.db2.gz YPHFUKVLIHRCLF-UHFFFAOYSA-N -1 0 389.502 3.769 50 0 GHAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)cc1 ZINC000065150464 205212631 /nfs/dbraw/zinc/21/26/31/205212631.db2.gz VQXBCISKTMOLHF-JTQLQIEISA-N -1 0 384.457 3.681 50 0 GHAARM CC(=O)c1ccccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@@H](C)CC3 ZINC000065150507 205212863 /nfs/dbraw/zinc/21/28/63/205212863.db2.gz GIXNOXHGIGWIFA-JTQLQIEISA-N -1 0 396.468 3.875 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)c(OC)c1 ZINC000065183489 205215901 /nfs/dbraw/zinc/21/59/01/205215901.db2.gz BTZONPHRFTZPKF-UHFFFAOYSA-N -1 0 395.506 3.646 50 0 GHAARM CCOc1ccc(-c2ccnc(COc3ccc(OC)cc3)n2)cc1C(=O)[O-] ZINC000071747209 205289946 /nfs/dbraw/zinc/28/99/46/205289946.db2.gz VHUVJPBWUXYWSV-UHFFFAOYSA-N -1 0 380.400 3.828 50 0 GHAARM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000071827916 205299316 /nfs/dbraw/zinc/29/93/16/205299316.db2.gz XUEBPBYVLKEAPJ-HIFRSBDPSA-N -1 0 387.361 3.883 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000071284682 205279937 /nfs/dbraw/zinc/27/99/37/205279937.db2.gz GKZOJHFCHQGNMT-UHFFFAOYSA-N -1 0 388.423 3.747 50 0 GHAARM CCOc1ccc(-c2ccnc(NCCc3nc(C)cs3)n2)cc1C(=O)[O-] ZINC000077485855 205363432 /nfs/dbraw/zinc/36/34/32/205363432.db2.gz WUOZFLOYWMOSPL-UHFFFAOYSA-N -1 0 384.461 3.660 50 0 GHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cccc(Br)c3)cnc21 ZINC000032098016 206088134 /nfs/dbraw/zinc/08/81/34/206088134.db2.gz USLFXBJOIBOVKK-UHFFFAOYSA-N -1 0 395.282 3.576 50 0 GHAARM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccc(Br)cc1F ZINC000096124215 206120032 /nfs/dbraw/zinc/12/00/32/206120032.db2.gz HSMGBECYXHMSKB-UHFFFAOYSA-N -1 0 385.214 3.671 50 0 GHAARM Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N[C@H](C)C(=O)[O-])n2)cc1 ZINC000007498915 221000120 /nfs/dbraw/zinc/00/01/20/221000120.db2.gz MCYZSQALYBMAKK-CQSZACIVSA-N -1 0 378.436 3.861 50 0 GHAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000262691214 526273895 /nfs/dbraw/zinc/27/38/95/526273895.db2.gz GGZNIKCPNJYNHX-AWEZNQCLSA-N -1 0 380.322 3.582 50 0 GHAARM O=c1nc(CNc2cccc(-c3nnc4n3CCCCC4)c2)[n-]c2ccsc21 ZINC000012811797 570225757 /nfs/dbraw/zinc/22/57/57/570225757.db2.gz MDGLUGOBSOWNAM-UHFFFAOYSA-N -1 0 392.488 3.582 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000019880946 570227393 /nfs/dbraw/zinc/22/73/93/570227393.db2.gz ZZPIVAQZABJWJL-CQSZACIVSA-N -1 0 379.796 3.602 50 0 GHAARM O=C(NC([N-]c1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F)c1cccnc1 ZINC000019944257 570233203 /nfs/dbraw/zinc/23/32/03/570233203.db2.gz CZCDTOIOTFNUGV-UHFFFAOYSA-N -1 0 398.694 3.793 50 0 GHAARM COC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000001026245 570235856 /nfs/dbraw/zinc/23/58/56/570235856.db2.gz LBZVEWWTIOTVRX-UHFFFAOYSA-N -1 0 383.491 3.642 50 0 GHAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(NC(=O)c4ccccc4)cc3)n2)n1 ZINC000001117959 570243432 /nfs/dbraw/zinc/24/34/32/570243432.db2.gz VLYXIMFIYUFZNQ-UHFFFAOYSA-N -1 0 385.431 3.874 50 0 GHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1)CC2 ZINC000015782009 570244796 /nfs/dbraw/zinc/24/47/96/570244796.db2.gz KDNLSQOUZIBVNT-QGZVFWFLSA-N -1 0 384.432 3.618 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1Br ZINC000001158111 570250895 /nfs/dbraw/zinc/25/08/95/570250895.db2.gz TXNZBYUTELOEED-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020290824 570251668 /nfs/dbraw/zinc/25/16/68/570251668.db2.gz IPWWTMZCTITZLW-QFPXGYFVSA-N -1 0 377.444 3.593 50 0 GHAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000085664859 570251900 /nfs/dbraw/zinc/25/19/00/570251900.db2.gz LERCBUAMRSGURL-UHFFFAOYSA-N -1 0 384.280 3.702 50 0 GHAARM CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000236749136 570259035 /nfs/dbraw/zinc/25/90/35/570259035.db2.gz LZASUPCVAHAHOO-AWEZNQCLSA-N -1 0 385.464 3.751 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627426 570278069 /nfs/dbraw/zinc/27/80/69/570278069.db2.gz TWIDTHZECKCECT-IAGOWNOFSA-N -1 0 378.428 3.853 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000015864534 570280293 /nfs/dbraw/zinc/28/02/93/570280293.db2.gz BLWUMPPJVZTRKU-UHFFFAOYSA-N -1 0 383.397 3.767 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cncnc1 ZINC000002576708 570291158 /nfs/dbraw/zinc/29/11/58/570291158.db2.gz LYVBFCNDWDOABW-HXUWFJFHSA-N -1 0 389.411 3.531 50 0 GHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])cc1OC ZINC000000711221 570301290 /nfs/dbraw/zinc/30/12/90/570301290.db2.gz VLKCLPMMZZBNDW-SFHVURJKSA-N -1 0 396.443 3.555 50 0 GHAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)cc1 ZINC000034763569 570333080 /nfs/dbraw/zinc/33/30/80/570333080.db2.gz PVKCWUNWGUEWKN-HNNXBMFYSA-N -1 0 398.507 3.803 50 0 GHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)c1 ZINC000034764936 570333093 /nfs/dbraw/zinc/33/30/93/570333093.db2.gz PFAOPYMFLGWSLW-OAHLLOKOSA-N -1 0 398.507 3.803 50 0 GHAARM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000237369937 570346401 /nfs/dbraw/zinc/34/64/01/570346401.db2.gz HIYCUVYCPXHOST-KSTDHSDQSA-N -1 0 382.460 3.604 50 0 GHAARM COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000023172615 570347706 /nfs/dbraw/zinc/34/77/06/570347706.db2.gz PMVNIXFMDFPZQK-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccn1 ZINC000024778868 570393388 /nfs/dbraw/zinc/39/33/88/570393388.db2.gz GAVPCQUDGUQPMC-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000241126021 570431115 /nfs/dbraw/zinc/43/11/15/570431115.db2.gz JIZMXTWBCYYWJQ-QLFBSQMISA-N -1 0 379.840 3.503 50 0 GHAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c1C ZINC000072295578 570503564 /nfs/dbraw/zinc/50/35/64/570503564.db2.gz FKFKLOAWVIRHSV-UHFFFAOYSA-N -1 0 376.526 3.557 50 0 GHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000000729556 570535056 /nfs/dbraw/zinc/53/50/56/570535056.db2.gz PZWGTZHCYVYLRW-RDJZCZTQSA-N -1 0 379.840 3.749 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007213 570619829 /nfs/dbraw/zinc/61/98/29/570619829.db2.gz LFNOIALUMMZHCY-UHFFFAOYSA-N -1 0 388.489 3.874 50 0 GHAARM O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)[n-]c2ccsc21 ZINC000036385493 570657780 /nfs/dbraw/zinc/65/77/80/570657780.db2.gz XMPPHSMYQRQYRM-HNNXBMFYSA-N -1 0 383.473 3.895 50 0 GHAARM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000155969794 570688887 /nfs/dbraw/zinc/68/88/87/570688887.db2.gz AFJPLCLTBDSOSI-NSHDSACASA-N -1 0 396.337 3.545 50 0 GHAARM CCOc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)[O-])O[C@H](C)C2 ZINC000012937276 570730471 /nfs/dbraw/zinc/73/04/71/570730471.db2.gz YFRWEXKZQZDURY-GFCCVEGCSA-N -1 0 387.457 3.838 50 0 GHAARM O=C([O-])Cc1csc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000012979951 570735460 /nfs/dbraw/zinc/73/54/60/570735460.db2.gz NWNOUEAPHZKFSQ-GOSISDBHSA-N -1 0 398.509 3.920 50 0 GHAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c(C)o1 ZINC000001052211 570748933 /nfs/dbraw/zinc/74/89/33/570748933.db2.gz IJADOUCORMBEKL-UHFFFAOYSA-N -1 0 389.433 3.554 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cccc2ccccc21 ZINC000013235144 570751207 /nfs/dbraw/zinc/75/12/07/570751207.db2.gz DUQFPKZWHYVBKZ-NRFANRHFSA-N -1 0 387.439 3.816 50 0 GHAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccccc1 ZINC000013657812 570767797 /nfs/dbraw/zinc/76/77/97/570767797.db2.gz LVTRGMZWIGCVML-UHFFFAOYSA-N -1 0 380.882 3.551 50 0 GHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)cc1 ZINC000007055243 570774991 /nfs/dbraw/zinc/77/49/91/570774991.db2.gz MASDLQXTOOQLMP-UHFFFAOYSA-N -1 0 375.475 3.672 50 0 GHAARM CC(C)C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1)C(=O)[O-] ZINC000170047876 570794311 /nfs/dbraw/zinc/79/43/11/570794311.db2.gz YKYPWZXZYNJKHJ-LJQANCHMSA-N -1 0 394.471 3.509 50 0 GHAARM C[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cc2ccccc2o1 ZINC000170066382 570799243 /nfs/dbraw/zinc/79/92/43/570799243.db2.gz WVUSFQULRNDJCW-SCLBCKFNSA-N -1 0 376.412 3.830 50 0 GHAARM CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000032778453 570811174 /nfs/dbraw/zinc/81/11/74/570811174.db2.gz CRTDASHQZLHLFF-ZCFIWIBFSA-N -1 0 393.321 3.619 50 0 GHAARM O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)c1ccc(Br)s1 ZINC000014231395 570834072 /nfs/dbraw/zinc/83/40/72/570834072.db2.gz UDYVIYCUZUGNGC-UHFFFAOYSA-N -1 0 398.307 3.556 50 0 GHAARM CCOc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2nc(C)cs2)c1=O ZINC000101832795 570836817 /nfs/dbraw/zinc/83/68/17/570836817.db2.gz FZWGJEYZAYZQSK-UHFFFAOYSA-N -1 0 386.477 3.621 50 0 GHAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccccc1Br ZINC000007409142 570838429 /nfs/dbraw/zinc/83/84/29/570838429.db2.gz GRIDNXKBBVVAKE-UHFFFAOYSA-N -1 0 378.194 3.851 50 0 GHAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184021408 570840244 /nfs/dbraw/zinc/84/02/44/570840244.db2.gz UNKUEXCIGUTRBS-LBPRGKRZSA-N -1 0 387.361 3.625 50 0 GHAARM COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000012551686 570854986 /nfs/dbraw/zinc/85/49/86/570854986.db2.gz MMYRPSSDZHHHON-GOSISDBHSA-N -1 0 396.468 3.576 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000033253369 570861250 /nfs/dbraw/zinc/86/12/50/570861250.db2.gz ZQJUDNCVBCKEDK-UHFFFAOYSA-N -1 0 394.468 3.869 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1F ZINC000023125724 570909898 /nfs/dbraw/zinc/90/98/98/570909898.db2.gz YRJWCHUSEKAYJA-HUUCEWRRSA-N -1 0 392.312 3.651 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017077590 570939415 /nfs/dbraw/zinc/93/94/15/570939415.db2.gz RQJJTONXJMPSKV-KGLIPLIRSA-N -1 0 379.478 3.927 50 0 GHAARM Cc1cccc2[nH]cc(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c21 ZINC000237829533 570944802 /nfs/dbraw/zinc/94/48/02/570944802.db2.gz DHQWANNJZQGPGQ-UHFFFAOYSA-N -1 0 376.456 3.664 50 0 GHAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000084498032 571019601 /nfs/dbraw/zinc/01/96/01/571019601.db2.gz LTBQHJVCYUXHJT-UHFFFAOYSA-N -1 0 399.299 3.828 50 0 GHAARM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1cnn(-c2ccccc2)c1 ZINC000084576690 571023601 /nfs/dbraw/zinc/02/36/01/571023601.db2.gz JBJKLWBBPCAODV-UHFFFAOYSA-N -1 0 383.473 3.995 50 0 GHAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccccc1 ZINC000000754765 843578091 /nfs/dbraw/zinc/57/80/91/843578091.db2.gz KLSNECTWBZBEPH-HDJSHQJTSA-N -1 0 383.447 3.911 50 0 GHAARM COCc1noc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2C)n1 ZINC000362381907 856170530 /nfs/dbraw/zinc/17/05/30/856170530.db2.gz JCJPKWGSQHITFC-UHFFFAOYSA-N -1 0 399.881 3.707 50 0 GHAARM Cc1cc(Br)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000032601681 856465071 /nfs/dbraw/zinc/46/50/71/856465071.db2.gz QGPZHJZWQSKSCN-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccc(F)cc3F)c(=O)c12 ZINC000009316354 857112894 /nfs/dbraw/zinc/11/28/94/857112894.db2.gz YMTVZBZDPYBBHV-UHFFFAOYSA-N -1 0 380.354 3.553 50 0 GHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000095424300 860575294 /nfs/dbraw/zinc/57/52/94/860575294.db2.gz QOUMHRMXVDBLSX-SFHVURJKSA-N -1 0 375.428 3.509 50 0 GHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000021044428 860703263 /nfs/dbraw/zinc/70/32/63/860703263.db2.gz GUIPQBACLQFIJO-SFHVURJKSA-N -1 0 398.459 3.927 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])cc1 ZINC000095941739 860709748 /nfs/dbraw/zinc/70/97/48/860709748.db2.gz XQRLIAXGOWOGNF-UHFFFAOYSA-N -1 0 395.502 3.761 50 0 GHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000096323590 860879814 /nfs/dbraw/zinc/87/98/14/860879814.db2.gz KURJQNRVJXHDNH-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(F)c3)c2)c(C)c1 ZINC000021931907 860988692 /nfs/dbraw/zinc/98/86/92/860988692.db2.gz LADAEPDWRCCESQ-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(-c4cccs4)o3)cc(Cl)c2O1 ZINC000193124105 904351360 /nfs/dbraw/zinc/35/13/60/904351360.db2.gz KITBPYKUONVNRL-MRVPVSSYSA-N -1 0 397.865 3.576 50 0 GHAARM CC(C)c1nc([C@H]2CCCCCN2C(=O)C[C@@H](C(=O)[O-])c2ccccc2)no1 ZINC000634911311 904607277 /nfs/dbraw/zinc/60/72/77/904607277.db2.gz VURGXHUWEBMXJF-IAGOWNOFSA-N -1 0 385.464 3.895 50 0 GHAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2cccc(O)c2)cc1 ZINC000096845489 915091019 /nfs/dbraw/zinc/09/10/19/915091019.db2.gz QJWWXLYAPVWUPJ-JYRVWZFOSA-N -1 0 384.391 3.960 50 0 GHAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000001160417 203891458 /nfs/dbraw/zinc/89/14/58/203891458.db2.gz KSKPEOGMDRQSLQ-UHFFFAOYSA-N -1 0 380.425 3.673 50 0 GHAARM Cc1ccccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809185 204076781 /nfs/dbraw/zinc/07/67/81/204076781.db2.gz YVJILAFWCXGRLH-UHFFFAOYSA-N -1 0 380.469 3.726 50 0 GHAARM COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)[O-])cc1OC ZINC000004801668 204077247 /nfs/dbraw/zinc/07/72/47/204077247.db2.gz QQYYMQQANNDTRE-MDWZMJQESA-N -1 0 380.343 3.939 50 0 GHAARM O=C([O-])[C@H]1CS[C@H](c2ccc(OC(=O)c3cccc4ccccc43)cc2)N1 ZINC000004556447 204053651 /nfs/dbraw/zinc/05/36/51/204053651.db2.gz KRLDULOSHQRRFI-RTBURBONSA-N -1 0 379.437 3.847 50 0 GHAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614486 204057694 /nfs/dbraw/zinc/05/76/94/204057694.db2.gz CVERJTCOVKUCKG-KGLIPLIRSA-N -1 0 385.441 3.807 50 0 GHAARM Cc1nc(SCC(=O)Nc2ccccc2F)[nH]c(=O)c1Cc1ccccc1 ZINC000004626376 204058601 /nfs/dbraw/zinc/05/86/01/204058601.db2.gz LSAPXJJGNGOTOK-UHFFFAOYSA-N -1 0 383.448 3.539 50 0 GHAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000004976672 204098932 /nfs/dbraw/zinc/09/89/32/204098932.db2.gz AAQQOHHSCHBSLY-SFHVURJKSA-N -1 0 396.443 3.636 50 0 GHAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000005898909 204155459 /nfs/dbraw/zinc/15/54/59/204155459.db2.gz OFXIOHNQQYTAGU-VVBXCHJUSA-N -1 0 383.425 3.775 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000005948860 204159021 /nfs/dbraw/zinc/15/90/21/204159021.db2.gz LHVWBTSSSDQJSQ-UHFFFAOYSA-N -1 0 378.403 3.978 50 0 GHAARM CN1c2ccccc2C([O-])=C(C(=O)Nc2ccc(Cl)c(Cl)c2)S1(=O)=O ZINC000006002605 204161438 /nfs/dbraw/zinc/16/14/38/204161438.db2.gz GNYIHWNOTZEDFV-UHFFFAOYSA-N -1 0 399.255 3.638 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000005634969 204144650 /nfs/dbraw/zinc/14/46/50/204144650.db2.gz MRWFSYNBVYWNMS-STQMWFEESA-N -1 0 395.868 3.600 50 0 GHAARM O=S(=O)([N-]c1ccn(Cc2ccccc2Cl)n1)c1ccc(F)c(F)c1 ZINC000006502394 204181002 /nfs/dbraw/zinc/18/10/02/204181002.db2.gz XSYLKUYOIPYIED-UHFFFAOYSA-N -1 0 383.807 3.664 50 0 GHAARM CCCc1cc(=O)oc2c1ccc1c2CN(c2ccc(CC(=O)[O-])cc2)CO1 ZINC000006900542 204222604 /nfs/dbraw/zinc/22/26/04/204222604.db2.gz GVEZCXLEUPWPFC-UHFFFAOYSA-N -1 0 379.412 3.729 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000007053496 204231006 /nfs/dbraw/zinc/23/10/06/204231006.db2.gz SXCPLPXEOBNJAI-UHFFFAOYSA-N -1 0 388.308 3.980 50 0 GHAARM CCN(CC)c1ccc2cc(-c3c([O-])c4ccccc4[nH]c3=O)c(=O)oc2c1 ZINC000008974083 204293590 /nfs/dbraw/zinc/29/35/90/204293590.db2.gz ZWYWAVSVXUITRO-UHFFFAOYSA-N -1 0 376.412 3.853 50 0 biogenic GHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000009009585 204296283 /nfs/dbraw/zinc/29/62/83/204296283.db2.gz FDGFVGHNZNBHDH-UWJYYQICSA-N -1 0 395.846 3.975 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1C(=O)N1CCCCC1 ZINC000009684397 204319459 /nfs/dbraw/zinc/31/94/59/204319459.db2.gz IJCKICAJAVSGNX-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000014632453 204536995 /nfs/dbraw/zinc/53/69/95/204536995.db2.gz UOTMVQOBPGRHDW-JQWIXIFHSA-N -1 0 376.236 3.835 50 0 GHAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035512744 204991965 /nfs/dbraw/zinc/99/19/65/204991965.db2.gz LECRTCIORDPOCY-UHFFFAOYSA-N -1 0 396.881 3.915 50 0 GHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)CCC2 ZINC000036612337 205017748 /nfs/dbraw/zinc/01/77/48/205017748.db2.gz ZKMRWIFLXLNFGU-QUCCMNQESA-N -1 0 385.485 3.551 50 0 GHAARM O=C([O-])c1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 ZINC000040013555 205045905 /nfs/dbraw/zinc/04/59/05/205045905.db2.gz SKWOIXDHCQDBPU-XNTDXEJSSA-N -1 0 399.859 3.903 50 0 GHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)ccc1O ZINC000040288438 205061833 /nfs/dbraw/zinc/06/18/33/205061833.db2.gz WLZNFEXISJNKNK-AWEZNQCLSA-N -1 0 396.374 3.503 50 0 GHAARM Cc1oc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1C(=O)[O-] ZINC000299753055 205107163 /nfs/dbraw/zinc/10/71/63/205107163.db2.gz WRENAQNULPCTHQ-UHFFFAOYSA-N -1 0 391.851 3.646 50 0 GHAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000299746589 205099411 /nfs/dbraw/zinc/09/94/11/205099411.db2.gz YGSNGFFPBHNREM-MRXNPFEDSA-N -1 0 395.390 3.596 50 0 GHAARM O=C(NCCc1ccccc1C(F)(F)F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000054196879 205139844 /nfs/dbraw/zinc/13/98/44/205139844.db2.gz OTDNTTGLESNFTM-UHFFFAOYSA-N -1 0 393.390 3.989 50 0 GHAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246458 205222115 /nfs/dbraw/zinc/22/21/15/205222115.db2.gz YJWRQTLXDQHIIJ-UHFFFAOYSA-N -1 0 377.397 3.927 50 0 GHAARM COC(=O)c1ccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)o1 ZINC000065488564 205236906 /nfs/dbraw/zinc/23/69/06/205236906.db2.gz FGKTUIIRFCHUHT-RIYZIHGNSA-N -1 0 375.427 3.992 50 0 GHAARM COCCC1(C(=O)[O-])CCN(c2ccnc3c2cccc3C(F)(F)F)CC1 ZINC000071416326 205283544 /nfs/dbraw/zinc/28/35/44/205283544.db2.gz XHLRABBWRQRUIC-UHFFFAOYSA-N -1 0 382.382 3.961 50 0 GHAARM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000078873567 205375006 /nfs/dbraw/zinc/37/50/06/205375006.db2.gz PLJXRCXRFZVUSY-UHFFFAOYSA-N -1 0 376.478 3.958 50 0 GHAARM CCOCCOc1cccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1 ZINC000095384031 205453654 /nfs/dbraw/zinc/45/36/54/205453654.db2.gz DXEMZKSVRGWBSC-HXUWFJFHSA-N -1 0 397.471 3.820 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000101171759 205617690 /nfs/dbraw/zinc/61/76/90/205617690.db2.gz JUWYYFHKXWWBCN-ZWKOTPCHSA-N -1 0 382.851 3.759 50 0 GHAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237707997 205685888 /nfs/dbraw/zinc/68/58/88/205685888.db2.gz PWZZOJOANOMVBS-UHFFFAOYSA-N -1 0 376.456 3.664 50 0 GHAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000007050804 205785062 /nfs/dbraw/zinc/78/50/62/205785062.db2.gz BWEKIQBTQFTDKI-UHFFFAOYSA-N -1 0 398.459 3.865 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1I ZINC000001234430 205808334 /nfs/dbraw/zinc/80/83/34/205808334.db2.gz CMAPAXMVQCDJDI-UHFFFAOYSA-N -1 0 381.169 3.550 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000032778607 206092392 /nfs/dbraw/zinc/09/23/92/206092392.db2.gz KDXXHSCBTAAWRI-UHFFFAOYSA-N -1 0 380.473 3.900 50 0 GHAARM Cc1cc(NC(=O)C[C@@H](CC(=O)[O-])c2cccs2)ccc1N1CCCC1=O ZINC000096024578 206113771 /nfs/dbraw/zinc/11/37/71/206113771.db2.gz BOHJEUHXLNBDTF-AWEZNQCLSA-N -1 0 386.473 3.770 50 0 GHAARM O=C([O-])C[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000098012560 206125210 /nfs/dbraw/zinc/12/52/10/206125210.db2.gz QBHUAXHVBMIIHO-CFYYFVFUSA-N -1 0 377.849 3.719 50 0 GHAARM Cc1ccc(C(=O)c2c([O-])n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000100293205 136189123 /nfs/dbraw/zinc/18/91/23/136189123.db2.gz OEYACIQZBHNITB-UHFFFAOYSA-N -1 0 398.418 3.994 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000000755508 525618203 /nfs/dbraw/zinc/61/82/03/525618203.db2.gz HQIPFKRGCWHMNR-UHFFFAOYSA-N -1 0 382.489 3.729 50 0 GHAARM O=C([O-])[C@@H](Cc1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621963 570210628 /nfs/dbraw/zinc/21/06/28/570210628.db2.gz JQLPMTXRCLXOJO-OAQYLSRUSA-N -1 0 388.423 3.616 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c(Cl)c1Cl ZINC000000639851 570213306 /nfs/dbraw/zinc/21/33/06/570213306.db2.gz IFADJGBIWUCCPU-UHFFFAOYSA-N -1 0 389.260 3.761 50 0 GHAARM O=C([O-])c1ccc2c(c1)C(=O)N(Nc1c(Cl)cc(Cl)cc1Cl)C2=O ZINC000000866195 570227467 /nfs/dbraw/zinc/22/74/67/570227467.db2.gz MDSIIOMZXKZEDK-UHFFFAOYSA-N -1 0 385.590 3.968 50 0 GHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2Cl)cc1 ZINC000001123159 570243902 /nfs/dbraw/zinc/24/39/02/570243902.db2.gz AALSAQOCGYMFDX-UHFFFAOYSA-N -1 0 388.272 3.577 50 0 GHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001132131 570245929 /nfs/dbraw/zinc/24/59/29/570245929.db2.gz YJIDABSTPPAUEV-UHFFFAOYSA-N -1 0 384.432 3.557 50 0 GHAARM Cc1cc(C)nc([N-]c2nc(CC(=O)NCc3ccccc3Cl)cs2)n1 ZINC000049029467 570260373 /nfs/dbraw/zinc/26/03/73/570260373.db2.gz DDACKZRSJCKVCH-UHFFFAOYSA-N -1 0 387.896 3.806 50 0 GHAARM O=C([O-])CS[C@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000001400569 570261786 /nfs/dbraw/zinc/26/17/86/570261786.db2.gz QUPSRCJDJHSSHD-HNNXBMFYSA-N -1 0 380.263 3.947 50 0 GHAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000100551159 570273078 /nfs/dbraw/zinc/27/30/78/570273078.db2.gz IPTJWOBAJCFFOX-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCc4ccccc4)c(=O)n1c23 ZINC000100663109 570274259 /nfs/dbraw/zinc/27/42/59/570274259.db2.gz FCLUBWVZIJPUGD-AWEZNQCLSA-N -1 0 394.446 3.716 50 0 GHAARM CCCOc1ccc(Cc2nnc(SCC(=O)[O-])n2Cc2ccccc2)cc1 ZINC000015838464 570275132 /nfs/dbraw/zinc/27/51/32/570275132.db2.gz DUFOOEOXRJJEBD-UHFFFAOYSA-N -1 0 397.500 3.883 50 0 GHAARM Cc1cccc(N(C(=O)c2ccco2)C2=C([O-])N(c3cccc(C)c3)C(=O)C2)c1 ZINC000101130727 570281130 /nfs/dbraw/zinc/28/11/30/570281130.db2.gz IFWVXMVILYQINW-LJQANCHMSA-N -1 0 388.423 3.875 50 0 GHAARM CSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(C(=O)[O-])=N2 ZINC000101446951 570283533 /nfs/dbraw/zinc/28/35/33/570283533.db2.gz MOWWOFLFVYVRKT-QGZVFWFLSA-N -1 0 394.456 3.562 50 0 GHAARM CSc1ncc2c([O-])c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 ZINC000102053763 570286641 /nfs/dbraw/zinc/28/66/41/570286641.db2.gz XNJSXGDPLPFVCL-NSHDSACASA-N -1 0 385.392 3.513 50 0 GHAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000023055227 570342068 /nfs/dbraw/zinc/34/20/68/570342068.db2.gz QSQKRHGHMHZEAE-UHFFFAOYSA-N -1 0 391.449 3.644 50 0 GHAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 ZINC000000807737 570349639 /nfs/dbraw/zinc/34/96/39/570349639.db2.gz GXEOVRJANCPJDZ-RHSMWYFYSA-N -1 0 379.865 3.716 50 0 GHAARM CCc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006286451 570361750 /nfs/dbraw/zinc/36/17/50/570361750.db2.gz MBHSMAORHGBENS-UHFFFAOYSA-N -1 0 391.562 3.726 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(CC)n2)ccc1C ZINC000035556951 570395939 /nfs/dbraw/zinc/39/59/39/570395939.db2.gz HPRFFAKMESIHOA-UHFFFAOYSA-N -1 0 387.461 3.807 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000238018661 570420231 /nfs/dbraw/zinc/42/02/31/570420231.db2.gz JBSZLWVXXACBSW-LLVKDONJSA-N -1 0 379.254 3.647 50 0 GHAARM O=C([O-])Cc1c(-c2ccc3c(c2)OCCO3)oc2c1c(=O)oc1ccccc21 ZINC000524729301 570420668 /nfs/dbraw/zinc/42/06/68/570420668.db2.gz NFCQICWYUWHRDU-UHFFFAOYSA-N -1 0 378.336 3.605 50 0 biogenic GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000005126747 570421668 /nfs/dbraw/zinc/42/16/68/570421668.db2.gz YRGKTAVLHPVXIO-UHFFFAOYSA-N -1 0 386.267 3.576 50 0 GHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000238997492 570427734 /nfs/dbraw/zinc/42/77/34/570427734.db2.gz AJOWESKTXGCGOZ-FRRDWIJNSA-N -1 0 392.521 3.582 50 0 GHAARM O=C(c1cccc([N-]S(=O)(=O)c2ccccc2F)c1)N1CCCCCC1 ZINC000002890868 570521237 /nfs/dbraw/zinc/52/12/37/570521237.db2.gz KKUPJWLOOQQZON-UHFFFAOYSA-N -1 0 376.453 3.643 50 0 GHAARM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2N1 ZINC000005252807 570529598 /nfs/dbraw/zinc/52/95/98/570529598.db2.gz YALAJLZSWHULJG-UHFFFAOYSA-N -1 0 380.425 3.774 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C(C)C)n1 ZINC000041096176 570536997 /nfs/dbraw/zinc/53/69/97/570536997.db2.gz YISUVUSRQYPHBS-UHFFFAOYSA-N -1 0 383.311 3.807 50 0 GHAARM COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O ZINC000005329388 570554880 /nfs/dbraw/zinc/55/48/80/570554880.db2.gz QOQZRPWLCKOQGF-UHFFFAOYSA-N -1 0 396.468 3.776 50 0 GHAARM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc2)oc1C ZINC000040158016 570560782 /nfs/dbraw/zinc/56/07/82/570560782.db2.gz NBEGEGWSRKPTPX-LFYBBSHMSA-N -1 0 398.440 3.857 50 0 GHAARM COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccc(C(=O)[O-])cc1 ZINC000012395958 570652664 /nfs/dbraw/zinc/65/26/64/570652664.db2.gz NWOLREUHAIPJIH-UHFFFAOYSA-N -1 0 387.395 3.881 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)[n-]c2=O)cc1 ZINC000032778599 570811664 /nfs/dbraw/zinc/81/16/64/570811664.db2.gz LVCMDRAOUXJORN-UHFFFAOYSA-N -1 0 388.399 3.562 50 0 GHAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000101301739 570818701 /nfs/dbraw/zinc/81/87/01/570818701.db2.gz ZIMBFSATPDYOMQ-UHFFFAOYSA-N -1 0 385.423 3.906 50 0 GHAARM CCN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012488340 570821840 /nfs/dbraw/zinc/82/18/40/570821840.db2.gz KSBQVNFVPBLTFR-CKEIUWERSA-N -1 0 398.406 3.584 50 0 GHAARM CSc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(C)c3=O)n2)cc1 ZINC000101724905 570829969 /nfs/dbraw/zinc/82/99/69/570829969.db2.gz HWMLLNTWQZTIJN-UHFFFAOYSA-N -1 0 383.404 3.822 50 0 GHAARM O=C([O-])C1CCC(NC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000170591436 570848838 /nfs/dbraw/zinc/84/88/38/570848838.db2.gz YHWDMCWXCPULEY-UHFFFAOYSA-N -1 0 398.297 3.758 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253370 570861183 /nfs/dbraw/zinc/86/11/83/570861183.db2.gz XOQPUSUEQYRQNW-UHFFFAOYSA-N -1 0 398.431 3.700 50 0 GHAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000033253854 570861882 /nfs/dbraw/zinc/86/18/82/570861882.db2.gz UOSRXOIMXGXJRD-UHFFFAOYSA-N -1 0 394.468 3.869 50 0 GHAARM CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000004551459 570871741 /nfs/dbraw/zinc/87/17/41/570871741.db2.gz YHQSHIIGSJJNMD-CYBMUJFWSA-N -1 0 386.473 3.997 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000012583186 570879449 /nfs/dbraw/zinc/87/94/49/570879449.db2.gz ZDQDUNOQMVKBSL-UHFFFAOYSA-N -1 0 385.466 3.907 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)cc2[n-]c1=S ZINC000103469614 570885300 /nfs/dbraw/zinc/88/53/00/570885300.db2.gz TYTLWBVVYQIERK-MRXNPFEDSA-N -1 0 399.903 3.776 50 0 GHAARM Cc1nn(-c2ccc(C(=O)N[C@H]3CCCC3(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000192967410 570896417 /nfs/dbraw/zinc/89/64/17/570896417.db2.gz UHPAOUWFRBTUSE-IBGZPJMESA-N -1 0 383.492 3.815 50 0 GHAARM Cc1nn(Cc2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000014223475 570904028 /nfs/dbraw/zinc/90/40/28/570904028.db2.gz JNTAYPMOYNDQJM-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017079677 570940485 /nfs/dbraw/zinc/94/04/85/570940485.db2.gz CITKQRQYGPMERI-HUUCEWRRSA-N -1 0 390.505 3.643 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000238069471 570945299 /nfs/dbraw/zinc/94/52/99/570945299.db2.gz JBDWFKFXOMVPMP-KGLIPLIRSA-N -1 0 386.275 3.579 50 0 GHAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002105226 570948463 /nfs/dbraw/zinc/94/84/63/570948463.db2.gz SZRSGMNZASYNOF-QGZVFWFLSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM COc1ccc(-c2c(CCCC(=O)[O-])oc3cc4c(cc3c2=O)OCCO4)cc1 ZINC000585152414 570985718 /nfs/dbraw/zinc/98/57/18/570985718.db2.gz ANRSGWGHWHYHAN-UHFFFAOYSA-N -1 0 396.395 3.647 50 0 GHAARM O=S(=O)([N-]c1nccs1)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000004809525 570997419 /nfs/dbraw/zinc/99/74/19/570997419.db2.gz MZBGVJQZVTYOCR-UHFFFAOYSA-N -1 0 383.458 3.631 50 0 GHAARM Cc1nc(CSc2ccc(C(=O)N[C@H](CC(=O)[O-])C3CC3)cc2)cs1 ZINC000095970307 601539608 /nfs/dbraw/zinc/53/96/08/601539608.db2.gz OYTVFVXTRRPFNW-MRXNPFEDSA-N -1 0 376.503 3.727 50 0 GHAARM CC[C@H](C)[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000008481195 856234291 /nfs/dbraw/zinc/23/42/91/856234291.db2.gz JJIYXVXBBVJWCK-DJJJIMSYSA-N -1 0 379.412 3.689 50 0 biogenic GHAARM CCc1ccccc1NC(=O)c1c[n-]c2c(c(C)nn2-c2ccc(F)cc2)c1=O ZINC000004316382 862956089 /nfs/dbraw/zinc/95/60/89/862956089.db2.gz JSIDRSFIDUSQJW-UHFFFAOYSA-N -1 0 390.418 3.976 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1 ZINC000013348649 859889650 /nfs/dbraw/zinc/88/96/50/859889650.db2.gz KRMJBGKHEWXODJ-UHFFFAOYSA-N -1 0 396.881 3.965 50 0 GHAARM COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)cc1 ZINC000021032952 860700564 /nfs/dbraw/zinc/70/05/64/860700564.db2.gz BELFEUBTTFYPFS-UHFFFAOYSA-N -1 0 386.429 3.546 50 0 GHAARM Cc1nn(Cc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096286875 860841878 /nfs/dbraw/zinc/84/18/78/860841878.db2.gz PCHQUCJDKLOLFN-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM O=C([O-])c1csc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000097673794 864815120 /nfs/dbraw/zinc/81/51/20/864815120.db2.gz NEYKGMWFAPTGND-UHFFFAOYSA-N -1 0 394.452 3.923 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 ZINC000066087490 878049272 /nfs/dbraw/zinc/04/92/72/878049272.db2.gz ZRSUNXHJFMGPBJ-CQSZACIVSA-N -1 0 398.365 3.936 50 0 GHAARM COCCn1c(-c2ccc(O)c(C(N)=O)c2)csc1=Nc1cc(C)ccc1C ZINC000263629852 888739482 /nfs/dbraw/zinc/73/94/82/888739482.db2.gz QGFSUXKZXZMTFO-UHFFFAOYSA-N -1 0 397.500 3.517 50 0 GHAARM Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237640820 892509102 /nfs/dbraw/zinc/50/91/02/892509102.db2.gz NHXUWOWDNMWHIQ-INIZCTEOSA-N -1 0 386.448 3.587 50 0 GHAARM C[C@@H](Oc1ccc(CNCc2nncn2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000952871693 904636141 /nfs/dbraw/zinc/63/61/41/904636141.db2.gz BGSQGEBSBYPRAA-CYBMUJFWSA-N -1 0 392.887 3.578 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000000795664 203852997 /nfs/dbraw/zinc/85/29/97/203852997.db2.gz FAZDMWUFJSHBPP-MNOVXSKESA-N -1 0 375.222 3.603 50 0 GHAARM O=C([O-])c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000971103 203868786 /nfs/dbraw/zinc/86/87/86/203868786.db2.gz FTUWSZLTOPTYLV-LIKPIUCQSA-N -1 0 395.414 3.781 50 0 GHAARM Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000004741270 204072540 /nfs/dbraw/zinc/07/25/40/204072540.db2.gz JVHZQKVBTFYACC-UHFFFAOYSA-N -1 0 382.445 3.835 50 0 GHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCC)cc1 ZINC000004809484 204076728 /nfs/dbraw/zinc/07/67/28/204076728.db2.gz NNXRIDDSNVZLQC-UHFFFAOYSA-N -1 0 383.853 3.716 50 0 GHAARM CCN(C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000004821117 204079860 /nfs/dbraw/zinc/07/98/60/204079860.db2.gz SETHUCOLGVYWTM-PMACEKPBSA-N -1 0 392.455 3.959 50 0 GHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000004601162 204057305 /nfs/dbraw/zinc/05/73/05/204057305.db2.gz GQSFVVOQEBPUEG-CQSZACIVSA-N -1 0 398.242 3.956 50 0 GHAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccco2)c1 ZINC000004976737 204098447 /nfs/dbraw/zinc/09/84/47/204098447.db2.gz NMZZQOAVVNDRDO-GZTJUZNOSA-N -1 0 394.358 3.527 50 0 GHAARM COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])c1OC ZINC000005017758 204103797 /nfs/dbraw/zinc/10/37/97/204103797.db2.gz QGRQUNJDKLUDDU-SFHVURJKSA-N -1 0 396.443 3.636 50 0 GHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000006887675 204219816 /nfs/dbraw/zinc/21/98/16/204219816.db2.gz WQRDBJRHTILGQE-UHFFFAOYSA-N -1 0 386.429 3.662 50 0 GHAARM Cc1nn(-c2nc(C)cc(C)n2)c2ncc(C(=O)c3cc(Cl)ccc3[O-])cc12 ZINC000006934963 204225714 /nfs/dbraw/zinc/22/57/14/204225714.db2.gz QDWFJDFSJZTNBO-UHFFFAOYSA-N -1 0 393.834 3.726 50 0 GHAARM CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccs1 ZINC000008569529 204279749 /nfs/dbraw/zinc/27/97/49/204279749.db2.gz QPYMINLDHZYLKQ-UHFFFAOYSA-N -1 0 375.504 3.617 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000008274383 204269138 /nfs/dbraw/zinc/26/91/38/204269138.db2.gz JFIWJBBNMVFXIV-INIZCTEOSA-N -1 0 376.334 3.612 50 0 GHAARM CCCn1c2ccc(Cl)cc2nc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000013218895 204484480 /nfs/dbraw/zinc/48/44/80/204484480.db2.gz JWVCFNKLXFLUSD-UHFFFAOYSA-N -1 0 395.912 3.515 50 0 GHAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000013463359 204490700 /nfs/dbraw/zinc/49/07/00/204490700.db2.gz JYPSCWDUHAJXAT-UHFFFAOYSA-N -1 0 391.228 3.858 50 0 GHAARM Cc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914216 205108099 /nfs/dbraw/zinc/10/80/99/205108099.db2.gz XUSFFCDCFRMUJU-UHFFFAOYSA-N -1 0 380.429 3.841 50 0 GHAARM Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)cc1C(=O)[O-] ZINC000055621732 205150805 /nfs/dbraw/zinc/15/08/05/205150805.db2.gz VXBVXTMHZJMMBP-UHFFFAOYSA-N -1 0 389.404 3.821 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)N2CCCC2)s1 ZINC000055593433 205151174 /nfs/dbraw/zinc/15/11/74/205151174.db2.gz VLKUJEZVRRADFA-UHFFFAOYSA-N -1 0 378.519 3.656 50 0 GHAARM CC(C)(C)c1nc(CS(=O)(=O)C=C([O-])c2c[nH]c3ccccc32)cs1 ZINC000058439333 205176858 /nfs/dbraw/zinc/17/68/58/205176858.db2.gz QEZFOLXGYNCXQH-UHFFFAOYSA-N -1 0 376.503 3.720 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)cc1 ZINC000061717705 205181775 /nfs/dbraw/zinc/18/17/75/205181775.db2.gz CIABPRRVFKFZPF-INIZCTEOSA-N -1 0 381.819 3.757 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)cc1 ZINC000061719525 205183119 /nfs/dbraw/zinc/18/31/19/205183119.db2.gz DJWBCXQHLTVWOG-HNNXBMFYSA-N -1 0 381.819 3.757 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065009024 205206229 /nfs/dbraw/zinc/20/62/29/205206229.db2.gz NNILFWXNMSRZFS-UHFFFAOYSA-N -1 0 389.502 3.769 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246417 205221677 /nfs/dbraw/zinc/22/16/77/205221677.db2.gz WDODIULWHKOYOA-UHFFFAOYSA-N -1 0 389.433 3.797 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1F ZINC000065246430 205222287 /nfs/dbraw/zinc/22/22/87/205222287.db2.gz SUGMSGVJCLNUNU-UHFFFAOYSA-N -1 0 393.396 3.546 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC000071289165 205280653 /nfs/dbraw/zinc/28/06/53/205280653.db2.gz ZAYHSHUUAGSTMS-UHFFFAOYSA-N -1 0 389.333 3.975 50 0 GHAARM O=C([O-])C[C@@H]1COCCN1Cc1ccccc1OCc1c(F)cccc1Cl ZINC000072164122 205314914 /nfs/dbraw/zinc/31/49/14/205314914.db2.gz QDCOGOYAZCIXDJ-OAHLLOKOSA-N -1 0 393.842 3.734 50 0 GHAARM COc1ccc(N2CCCC2=O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000072403130 205345499 /nfs/dbraw/zinc/34/54/99/205345499.db2.gz NVKQWFIRJIHLFU-UHFFFAOYSA-N -1 0 396.468 3.776 50 0 GHAARM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000084101479 205392840 /nfs/dbraw/zinc/39/28/40/205392840.db2.gz VKQCDSPTDJNCKW-UHFFFAOYSA-N -1 0 384.413 3.681 50 0 GHAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095387573 205452867 /nfs/dbraw/zinc/45/28/67/205452867.db2.gz BSXIFZRXRXJELV-LJQANCHMSA-N -1 0 389.455 3.805 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000238064402 205686284 /nfs/dbraw/zinc/68/62/84/205686284.db2.gz PTFSCPHOZRRSFH-SJLPKXTDSA-N -1 0 385.410 3.713 50 0 GHAARM Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000627406 205694942 /nfs/dbraw/zinc/69/49/42/205694942.db2.gz VBVBDSPNHUJNFQ-QZTJIDSGSA-N -1 0 392.455 3.531 50 0 GHAARM C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000012000854 205871158 /nfs/dbraw/zinc/87/11/58/205871158.db2.gz PEFKNPBATBZNQX-CYBMUJFWSA-N -1 0 379.441 3.961 50 0 GHAARM CC(=O)c1ccc2c(c1O)[C@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000217928639 205943097 /nfs/dbraw/zinc/94/30/97/205943097.db2.gz LICRMFHNUCNWDT-HNNXBMFYSA-N -1 0 392.363 3.994 50 0 biogenic GHAARM CCCN(Cc1nnc(-c2cccs2)o1)Cc1nc(=O)c2sccc2[n-]1 ZINC000025407005 205984285 /nfs/dbraw/zinc/98/42/85/205984285.db2.gz MUWQULXPJNPYJO-UHFFFAOYSA-N -1 0 387.490 3.508 50 0 GHAARM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(Br)c1F ZINC000225399854 206045040 /nfs/dbraw/zinc/04/50/40/206045040.db2.gz XVQRNTMZFOTYOY-UHFFFAOYSA-N -1 0 381.226 3.937 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000225481825 206050693 /nfs/dbraw/zinc/05/06/93/206050693.db2.gz WWBKFFVITMIRMW-RTWAWAEBSA-N -1 0 375.424 3.619 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2nc(SCc3ccccc3)n[nH]2)c(Cl)c1 ZINC000225496199 206052748 /nfs/dbraw/zinc/05/27/48/206052748.db2.gz WQCVALLSJAFAHK-UHFFFAOYSA-N -1 0 394.909 3.860 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)c(F)c1 ZINC000241213365 206127000 /nfs/dbraw/zinc/12/70/00/206127000.db2.gz KOICSEZBSRRYCH-HXUWFJFHSA-N -1 0 386.448 3.720 50 0 GHAARM C[C@@H](Oc1ccccc1Cl)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237556387 206125087 /nfs/dbraw/zinc/12/50/87/206125087.db2.gz AFXDTVFCNKYTRQ-GFCCVEGCSA-N -1 0 397.805 3.889 50 0 GHAARM COc1ccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2C(=O)[O-])cc1 ZINC000064589241 136157022 /nfs/dbraw/zinc/15/70/22/136157022.db2.gz GNJZWVKTVILLQN-UHFFFAOYSA-N -1 0 382.460 3.955 50 0 GHAARM COc1cccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@@H]2C(=O)[O-])c1 ZINC000000729680 570221698 /nfs/dbraw/zinc/22/16/98/570221698.db2.gz FVPGLRWDDAAXCV-NVXWUHKLSA-N -1 0 377.849 3.690 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730496 570222516 /nfs/dbraw/zinc/22/25/16/570222516.db2.gz ROKYJAWJMAWAGU-GFCCVEGCSA-N -1 0 392.502 3.709 50 0 GHAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)s2)cs1 ZINC000001034757 570236498 /nfs/dbraw/zinc/23/64/98/570236498.db2.gz DHFBYYWBYDZNFB-UHFFFAOYSA-N -1 0 394.499 3.752 50 0 GHAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000001041526 570237552 /nfs/dbraw/zinc/23/75/52/570237552.db2.gz HMYLMANNHRRXRU-PMACEKPBSA-N -1 0 377.396 3.854 50 0 GHAARM COc1ccc(NC(=O)C[C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000035142364 570241514 /nfs/dbraw/zinc/24/15/14/570241514.db2.gz NOHJINFMEWJLMB-ZDUSSCGKSA-N -1 0 392.249 3.730 50 0 GHAARM CCOc1ccc2nc(NC(=O)c3csc([N-]c4ncccn4)n3)sc2c1 ZINC000049032205 570261467 /nfs/dbraw/zinc/26/14/67/570261467.db2.gz MRJSGQRPGLLCOF-UHFFFAOYSA-N -1 0 398.473 3.937 50 0 GHAARM CC(C)OC(=O)NC(Nc1ccccc1C(=O)[O-])(C(F)(F)F)C(F)(F)F ZINC000002050605 570272597 /nfs/dbraw/zinc/27/25/97/570272597.db2.gz QTRWNZRHWSHUSX-UHFFFAOYSA-N -1 0 388.264 3.752 50 0 GHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000020616723 570272675 /nfs/dbraw/zinc/27/26/75/570272675.db2.gz XWGMPSNDGAUJIT-UHFFFAOYSA-N -1 0 396.790 3.832 50 0 GHAARM O=C([O-])CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002078989 570273379 /nfs/dbraw/zinc/27/33/79/570273379.db2.gz WGNSQWMLUYLLCO-UJKMTWAASA-N -1 0 389.451 3.524 50 0 GHAARM O=C([O-])CCCCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002078987 570273483 /nfs/dbraw/zinc/27/34/83/570273483.db2.gz WGNSQWMLUYLLCO-JQBYJRRVSA-N -1 0 389.451 3.524 50 0 GHAARM Cc1ccccc1C(=O)Nc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2C)cc1 ZINC000000713405 570301027 /nfs/dbraw/zinc/30/10/27/570301027.db2.gz YMFZHHDVDGPLCK-ZDUSSCGKSA-N -1 0 396.472 3.608 50 0 GHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1)c1ccco1 ZINC000022411628 570316420 /nfs/dbraw/zinc/31/64/20/570316420.db2.gz XPTRLNQRZMGDMP-UHFFFAOYSA-N -1 0 378.356 3.611 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1nc(-c2ccccn2)no1)c1ccccc1 ZINC000022462323 570317584 /nfs/dbraw/zinc/31/75/84/570317584.db2.gz FDWWMQMWNQDCTM-UHFFFAOYSA-N -1 0 378.413 3.599 50 0 GHAARM Cc1c(=O)c2cccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000237761237 570395033 /nfs/dbraw/zinc/39/50/33/570395033.db2.gz CIYAJXWLQYZMIT-INIZCTEOSA-N -1 0 391.423 3.705 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000237970021 570417798 /nfs/dbraw/zinc/41/77/98/570417798.db2.gz HRMAYYRSPSLKPC-JQFCIGGWSA-N -1 0 386.423 3.658 50 0 GHAARM O=C([O-])CCCCNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001795988 570425397 /nfs/dbraw/zinc/42/53/97/570425397.db2.gz DDECZAUPHSJPFN-UHFFFAOYSA-N -1 0 383.853 3.666 50 0 GHAARM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100672025 570426210 /nfs/dbraw/zinc/42/62/10/570426210.db2.gz RKPCFOSNELXUGL-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136028264 570471584 /nfs/dbraw/zinc/47/15/84/570471584.db2.gz FZJBDLOPMUTLQL-PCCBWWKXSA-N -1 0 388.398 3.877 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002748632 570513177 /nfs/dbraw/zinc/51/31/77/570513177.db2.gz PYBWIVRQHRNOEB-ZIAGYGMSSA-N -1 0 379.478 3.790 50 0 GHAARM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854251 570556557 /nfs/dbraw/zinc/55/65/57/570556557.db2.gz NDAVJAXZKICCFU-QGZVFWFLSA-N -1 0 386.521 3.604 50 0 GHAARM CC(C)=CCC/C(C)=C\CC(C)(C)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000584904483 570566778 /nfs/dbraw/zinc/56/67/78/570566778.db2.gz HPRZUVLINFKFRD-MLVZZMGXSA-N -1 0 387.520 3.962 50 0 GHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012630765 570693235 /nfs/dbraw/zinc/69/32/35/570693235.db2.gz BVVRGCDEXXWVJE-UHFFFAOYSA-N -1 0 396.497 3.920 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000012630664 570809490 /nfs/dbraw/zinc/80/94/90/570809490.db2.gz JOHDTDIQSYTNMQ-UHFFFAOYSA-N -1 0 392.221 3.927 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(N(C)Cc3ccc(Cl)s3)nc2)no1 ZINC000012525877 570830234 /nfs/dbraw/zinc/83/02/34/570830234.db2.gz RQUPCNMJCRIEAR-UHFFFAOYSA-N -1 0 398.897 3.530 50 0 GHAARM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000032809634 570831946 /nfs/dbraw/zinc/83/19/46/570831946.db2.gz LGCFLGDBRWLZSN-UHFFFAOYSA-N -1 0 399.925 3.532 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(C)cc4C)nn3c2=O)cc1 ZINC000101802970 570835326 /nfs/dbraw/zinc/83/53/26/570835326.db2.gz BKBWOBXHWQQLED-UHFFFAOYSA-N -1 0 387.487 3.854 50 0 GHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1F ZINC000101836111 570837171 /nfs/dbraw/zinc/83/71/71/570837171.db2.gz VCTHSBLTVZRMFF-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM CC[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080215 570940934 /nfs/dbraw/zinc/94/09/34/570940934.db2.gz QHZUPRCVGAWDOZ-NWDGAFQWSA-N -1 0 392.521 3.595 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000238067053 570945294 /nfs/dbraw/zinc/94/52/94/570945294.db2.gz APMDUCPYGWQCIW-SJORKVTESA-N -1 0 385.410 3.713 50 0 GHAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000001275013 570952714 /nfs/dbraw/zinc/95/27/14/570952714.db2.gz ZNYAHOXTJFADKI-MJWGMMHASA-N -1 0 377.444 3.593 50 0 GHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000002120017 570953772 /nfs/dbraw/zinc/95/37/72/570953772.db2.gz VYDUQBLHJADZGX-UHFFFAOYSA-N -1 0 399.443 3.587 50 0 biogenic GHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000002120756 570955948 /nfs/dbraw/zinc/95/59/48/570955948.db2.gz MSAREGPJKYRNTH-LBPRGKRZSA-N -1 0 399.443 3.585 50 0 biogenic GHAARM O=C(C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1)N1CCCCC1 ZINC000002925586 861799594 /nfs/dbraw/zinc/79/95/94/861799594.db2.gz FXNMDXOBCKRPLS-UHFFFAOYSA-N -1 0 391.562 3.939 50 0 GHAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCC(Cc2ccccc2)CC1 ZINC000003043646 862141172 /nfs/dbraw/zinc/14/11/72/862141172.db2.gz DHVKBHCQLQFSLW-UHFFFAOYSA-N -1 0 393.512 3.540 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(O)cc1)c1cccs1 ZINC000003171038 862233878 /nfs/dbraw/zinc/23/38/78/862233878.db2.gz OMHLQKYDIWLLOJ-UHFFFAOYSA-N -1 0 398.469 3.941 50 0 GHAARM O=C([O-])c1cc2c(cc1NC(=O)c1ccccc1C(F)(F)F)OCCCO2 ZINC000008191106 856055915 /nfs/dbraw/zinc/05/59/15/856055915.db2.gz PJGPJKAOCJQKEQ-UHFFFAOYSA-N -1 0 381.306 3.817 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 ZINC000530569160 856328459 /nfs/dbraw/zinc/32/84/59/856328459.db2.gz TXRFANKYHBBSDV-KRWDZBQOSA-N -1 0 375.350 3.507 50 0 GHAARM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055150975 857451727 /nfs/dbraw/zinc/45/17/27/857451727.db2.gz JSHMIHINSGOWJM-IAGOWNOFSA-N -1 0 378.428 3.853 50 0 GHAARM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000011990519 859042428 /nfs/dbraw/zinc/04/24/28/859042428.db2.gz ZZYLDUITAPOPGK-UHFFFAOYSA-N -1 0 395.484 3.762 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)Cn1c2ccccc2nc1C1CC1)c1ccccc1Cl ZINC000095424079 860575022 /nfs/dbraw/zinc/57/50/22/860575022.db2.gz FAGFWROJISMTJD-QGZVFWFLSA-N -1 0 397.862 3.899 50 0 GHAARM O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033729 860700491 /nfs/dbraw/zinc/70/04/91/860700491.db2.gz PKNGVGJOTRXVLE-UHFFFAOYSA-N -1 0 384.413 3.749 50 0 GHAARM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)cn3)c2)c1 ZINC000095947547 860711154 /nfs/dbraw/zinc/71/11/54/860711154.db2.gz OJPUDFGYIIQRSK-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N(C)[C@@H](CCc3ccccc3)C(F)F)cc2=O)cc1 ZINC000629754630 900898864 /nfs/dbraw/zinc/89/88/64/900898864.db2.gz YQPYSMJXITYTCI-IBGZPJMESA-N -1 0 399.441 3.813 50 0 GHAARM CCCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C1CC1 ZINC000191660640 1020797013 /nfs/dbraw/zinc/79/70/13/1020797013.db2.gz LCQZNCFPZPEXEE-UHFFFAOYSA-N -1 0 381.354 3.604 50 0 GHAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013257551 203775091 /nfs/dbraw/zinc/77/50/91/203775091.db2.gz GRLUEBYZQYVJHQ-UHFFFAOYSA-N -1 0 392.430 3.941 50 0 GHAARM O=C([O-])CSc1nnc(COc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000000630560 203843269 /nfs/dbraw/zinc/84/32/69/203843269.db2.gz XILGJRPGLJZWAI-UHFFFAOYSA-N -1 0 375.837 3.676 50 0 GHAARM CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccccc1OC ZINC000003028911 203982751 /nfs/dbraw/zinc/98/27/51/203982751.db2.gz IYQGTJWDLAMAKB-UTKZUKDTSA-N -1 0 378.428 3.514 50 0 GHAARM CCCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003886929 204020599 /nfs/dbraw/zinc/02/05/99/204020599.db2.gz XMFQXSDKZZIXBT-ILCGBQQYSA-N -1 0 391.533 3.587 50 0 GHAARM CCOc1ccc(Cl)cc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000004703562 204066713 /nfs/dbraw/zinc/06/67/13/204066713.db2.gz JZPRBCDCFYAWBZ-UHFFFAOYSA-N -1 0 390.867 3.886 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000004742349 204072513 /nfs/dbraw/zinc/07/25/13/204072513.db2.gz AIQVOQITQLJYQN-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000004845192 204082413 /nfs/dbraw/zinc/08/24/13/204082413.db2.gz ZPMPGEUQCXJLFE-UHFFFAOYSA-N -1 0 392.864 3.952 50 0 GHAARM Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004536005 204050592 /nfs/dbraw/zinc/05/05/92/204050592.db2.gz JLBHZNNHSZADQT-UHFFFAOYSA-N -1 0 378.222 3.782 50 0 GHAARM Cc1cc(C)cc(Cc2c(C)nc(N3CCN(c4ccccc4)CC3)[nH]c2=O)c1 ZINC000004626397 204058770 /nfs/dbraw/zinc/05/87/70/204058770.db2.gz OOIOCTIFESICLL-UHFFFAOYSA-N -1 0 388.515 3.613 50 0 GHAARM CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000004689752 204064293 /nfs/dbraw/zinc/06/42/93/204064293.db2.gz AJRDTVPAPAMIKF-IBGZPJMESA-N -1 0 382.460 3.888 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1 ZINC000005121357 204111998 /nfs/dbraw/zinc/11/19/98/204111998.db2.gz PCLZUMDUGSKWLJ-UHFFFAOYSA-N -1 0 386.267 3.576 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000005127422 204113538 /nfs/dbraw/zinc/11/35/38/204113538.db2.gz XHEKOUWCXUFASW-KBPBESRZSA-N -1 0 386.473 3.652 50 0 GHAARM Cc1nc2ccccc2c(=O)n1NC(=O)c1cc(Br)ccc1Cl ZINC000005199111 204117695 /nfs/dbraw/zinc/11/76/95/204117695.db2.gz QRIPZXPNVXLYLS-UHFFFAOYSA-N -1 0 392.640 3.505 50 0 GHAARM CCC1=NN(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000005296987 204124735 /nfs/dbraw/zinc/12/47/35/204124735.db2.gz AWRVOAVLSUWBIY-INIZCTEOSA-N -1 0 391.880 3.951 50 0 GHAARM COc1ccc(Cc2nnc(SCc3cccc(C(=O)[O-])c3)o2)cc1OC ZINC000004943102 204094743 /nfs/dbraw/zinc/09/47/43/204094743.db2.gz JPZNBQXMTXCLRY-UHFFFAOYSA-N -1 0 386.429 3.668 50 0 GHAARM O=c1c(Oc2ccc(I)cc2)coc2cc([O-])ccc12 ZINC000005997058 204161177 /nfs/dbraw/zinc/16/11/77/204161177.db2.gz XXZKJJYWINSUMJ-UHFFFAOYSA-N -1 0 380.137 3.896 50 0 biogenic,in-vitro GHAARM CCOc1ccccc1N1CCN(Cc2n[n-]c(=S)n2-c2ccccc2)CC1 ZINC000005393546 204130699 /nfs/dbraw/zinc/13/06/99/204130699.db2.gz FSGQGICGDWLXBM-UHFFFAOYSA-N -1 0 395.532 3.651 50 0 GHAARM O=C(Nc1nc2ccccc2[nH]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006244631 204172121 /nfs/dbraw/zinc/17/21/21/204172121.db2.gz KIICAEPTDQXZHI-UHFFFAOYSA-N -1 0 398.469 3.678 50 0 GHAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3SC(F)F)ccc21 ZINC000007325596 204239133 /nfs/dbraw/zinc/23/91/33/204239133.db2.gz GTTGUFFOGPXMIQ-UHFFFAOYSA-N -1 0 398.456 3.711 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007615949 204243271 /nfs/dbraw/zinc/24/32/71/204243271.db2.gz VGJRZSZZHWBARB-UHFFFAOYSA-N -1 0 383.397 3.767 50 0 GHAARM CC(Nc1ccc(C(C)C)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009359566 204308638 /nfs/dbraw/zinc/30/86/38/204308638.db2.gz PSNDGQITZYDLHB-CYVLTUHYSA-N -1 0 377.444 3.775 50 0 GHAARM C[C@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)[O-] ZINC000013138613 204483508 /nfs/dbraw/zinc/48/35/08/204483508.db2.gz RTKZEKHXMGPVEL-NSHDSACASA-N -1 0 386.498 3.891 50 0 GHAARM Cc1ccc(C)c(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348679 204487710 /nfs/dbraw/zinc/48/77/10/204487710.db2.gz HLHIRAOZAUIYNS-UHFFFAOYSA-N -1 0 390.490 3.929 50 0 GHAARM O=C1NC(c2ccccc2)=N[C@]1([N-]c1nc2ccccc2s1)C(F)(F)F ZINC000020069796 204701000 /nfs/dbraw/zinc/70/10/00/204701000.db2.gz XSYQSELLCADYAQ-MRXNPFEDSA-N -1 0 376.363 3.543 50 0 GHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)CCC2 ZINC000036612335 205018001 /nfs/dbraw/zinc/01/80/01/205018001.db2.gz ZKMRWIFLXLNFGU-ICSRJNTNSA-N -1 0 385.485 3.551 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)n1 ZINC000041096190 205077300 /nfs/dbraw/zinc/07/73/00/205077300.db2.gz WQMOHYVGHSAVHV-UHFFFAOYSA-N -1 0 377.263 3.528 50 0 GHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000048265250 205116487 /nfs/dbraw/zinc/11/64/87/205116487.db2.gz GPKHOMXWXIXBOQ-UHFFFAOYSA-N -1 0 383.404 3.656 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)NCC3CCC(C(=O)[O-])CC3)s2)cc1 ZINC000049548796 205128898 /nfs/dbraw/zinc/12/88/98/205128898.db2.gz KOFFTDZVUDRBPT-UHFFFAOYSA-N -1 0 388.489 3.748 50 0 GHAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1-c1ccno1 ZINC000064845182 205198759 /nfs/dbraw/zinc/19/87/59/205198759.db2.gz MYMALLQBVNRMRA-UHFFFAOYSA-N -1 0 392.458 3.592 50 0 GHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000065112623 205210634 /nfs/dbraw/zinc/21/06/34/205210634.db2.gz PFVWWCZXJKZRQC-UHFFFAOYSA-N -1 0 377.491 3.831 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c(C)c1 ZINC000065246315 205222479 /nfs/dbraw/zinc/22/24/79/205222479.db2.gz KYJQTNACHVBKHG-UHFFFAOYSA-N -1 0 377.422 3.571 50 0 GHAARM COc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)cc1OC ZINC000065323333 205230928 /nfs/dbraw/zinc/23/09/28/205230928.db2.gz XWEGAPXAVALJRD-UHFFFAOYSA-N -1 0 390.399 3.855 50 0 GHAARM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000065595611 205239630 /nfs/dbraw/zinc/23/96/30/205239630.db2.gz NOSIXYVQSAUYOI-AWEZNQCLSA-N -1 0 393.390 3.635 50 0 GHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2 ZINC000065196275 205217853 /nfs/dbraw/zinc/21/78/53/205217853.db2.gz IINUJNYLFNRPMS-UHFFFAOYSA-N -1 0 390.530 3.542 50 0 GHAARM O=C([O-])[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071750222 205289003 /nfs/dbraw/zinc/28/90/03/205289003.db2.gz FGRFVIATVJZVES-WAWJGKILSA-N -1 0 389.455 3.973 50 0 GHAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071750223 205290166 /nfs/dbraw/zinc/29/01/66/205290166.db2.gz FGRFVIATVJZVES-VURDRKPISA-N -1 0 389.455 3.973 50 0 GHAARM Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000071770018 205296446 /nfs/dbraw/zinc/29/64/46/205296446.db2.gz DGLUUMIISSDTSJ-UHFFFAOYSA-N -1 0 386.860 3.954 50 0 GHAARM Cc1ccccc1-c1cccc(C(=O)N2CCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072431633 205350142 /nfs/dbraw/zinc/35/01/42/205350142.db2.gz IJFAKGUILFIWTJ-UHFFFAOYSA-N -1 0 389.455 3.532 50 0 GHAARM O=C([O-])COC[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096372402 205562661 /nfs/dbraw/zinc/56/26/61/205562661.db2.gz GHSLNPNRODXCRM-OAHLLOKOSA-N -1 0 381.428 3.501 50 0 GHAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237303176 205681646 /nfs/dbraw/zinc/68/16/46/205681646.db2.gz DAGHITQGASCTTN-IRXDYDNUSA-N -1 0 389.398 3.580 50 0 GHAARM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237314669 205682074 /nfs/dbraw/zinc/68/20/74/205682074.db2.gz KKISVPHGXDEDKO-LBPRGKRZSA-N -1 0 388.291 3.654 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@@H](C(=O)[O-])C4)cc3)o2)cc1 ZINC000237774029 205685728 /nfs/dbraw/zinc/68/57/28/205685728.db2.gz KIJHRZJYIBAFLZ-GOSISDBHSA-N -1 0 391.427 3.649 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000237964181 205687508 /nfs/dbraw/zinc/68/75/08/205687508.db2.gz GSHHYIAEMRUCQD-MAZHCROVSA-N -1 0 380.282 3.656 50 0 GHAARM Cc1cc(I)ccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004644827 220740622 /nfs/dbraw/zinc/74/06/22/220740622.db2.gz OYBSJQDUELLEJS-UHFFFAOYSA-N -1 0 381.169 3.550 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(OC)c2)s1 ZINC000005329942 136194764 /nfs/dbraw/zinc/19/47/64/136194764.db2.gz DXDRWKQXNZVXNB-UHFFFAOYSA-N -1 0 394.518 3.637 50 0 GHAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000008840720 136195675 /nfs/dbraw/zinc/19/56/75/136195675.db2.gz NRKZOADRYXZINQ-UHFFFAOYSA-N -1 0 394.443 3.845 50 0 GHAARM Cc1nonc1OCCn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065452465 222129563 /nfs/dbraw/zinc/12/95/63/222129563.db2.gz SCVBUWIPDNQPLD-UHFFFAOYSA-N -1 0 390.399 3.686 50 0 GHAARM O=c1oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 ZINC000000645715 570213908 /nfs/dbraw/zinc/21/39/08/570213908.db2.gz FRYGKSXSBLOGMN-UHFFFAOYSA-N -1 0 376.242 3.962 50 0 GHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(C)cc1)C[C@H](C)CC2 ZINC000000671074 570215786 /nfs/dbraw/zinc/21/57/86/570215786.db2.gz ICYLYWQHTRKZIC-GFCCVEGCSA-N -1 0 379.503 3.769 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000763004 570222508 /nfs/dbraw/zinc/22/25/08/570222508.db2.gz QFQFDOUGEWNQKE-LIKPIUCQSA-N -1 0 395.414 3.781 50 0 GHAARM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000001196168 570257424 /nfs/dbraw/zinc/25/74/24/570257424.db2.gz FOOXBGHGPHKFKO-UHFFFAOYSA-N -1 0 381.457 3.752 50 0 GHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(F)c(Cl)c1 ZINC000020606327 570271175 /nfs/dbraw/zinc/27/11/75/570271175.db2.gz XREHDJRQVVVFNS-NVXWUHKLSA-N -1 0 397.855 3.855 50 0 GHAARM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000020733932 570277764 /nfs/dbraw/zinc/27/77/64/570277764.db2.gz JFRAVPGIOCQCFA-KRWDZBQOSA-N -1 0 380.469 3.853 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2cccs2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000012251411 570278346 /nfs/dbraw/zinc/27/83/46/570278346.db2.gz WQPAZZCKXQXPQV-UHFFFAOYSA-N -1 0 384.486 3.900 50 0 GHAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCCC(=O)[O-] ZINC000020744713 570278792 /nfs/dbraw/zinc/27/87/92/570278792.db2.gz NMQIIQVXNWRAQR-UHFFFAOYSA-N -1 0 388.367 3.612 50 0 GHAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000020745889 570279266 /nfs/dbraw/zinc/27/92/66/570279266.db2.gz GSTCJVZGJHCLNW-QGZVFWFLSA-N -1 0 386.860 3.948 50 0 GHAARM O=C([O-])[C@H](CC(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583159 570291573 /nfs/dbraw/zinc/29/15/73/570291573.db2.gz CHNDOSLXDQUFJI-INIZCTEOSA-N -1 0 379.334 3.931 50 0 GHAARM Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)[O-])n1Cc1ccccc1 ZINC000002995022 570324660 /nfs/dbraw/zinc/32/46/60/570324660.db2.gz QOTNSWYKEAGHQI-OAHLLOKOSA-N -1 0 383.473 3.779 50 0 GHAARM CC(C)COc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)c1 ZINC000034765530 570333671 /nfs/dbraw/zinc/33/36/71/570333671.db2.gz MRYMKWIVCHKEQG-UHFFFAOYSA-N -1 0 398.507 3.661 50 0 GHAARM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3Cl)n2)cc1F ZINC000060950989 570350134 /nfs/dbraw/zinc/35/01/34/570350134.db2.gz GTZXCTWANQPHRL-UHFFFAOYSA-N -1 0 398.868 3.834 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000006313310 570376009 /nfs/dbraw/zinc/37/60/09/570376009.db2.gz KMROISVHXVIBFB-UHFFFAOYSA-N -1 0 390.205 3.731 50 0 GHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)/C=C/C(=O)[O-] ZINC000008429672 570380675 /nfs/dbraw/zinc/38/06/75/570380675.db2.gz JGXPIUHNAVJFRW-VAWYXSNFSA-N -1 0 395.846 3.792 50 0 GHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)n1 ZINC000024831160 570394559 /nfs/dbraw/zinc/39/45/59/570394559.db2.gz QLACSEUXQDWCLW-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cnn1-c1cccc(Cl)c1 ZINC000237746720 570405120 /nfs/dbraw/zinc/40/51/20/570405120.db2.gz CWYMAPGXGSWBPP-AWEZNQCLSA-N -1 0 375.856 3.551 50 0 GHAARM CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2O)cc1 ZINC000013000611 570414654 /nfs/dbraw/zinc/41/46/54/570414654.db2.gz OFRFTKOEISOYNP-UHFFFAOYSA-N -1 0 384.461 3.659 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(Br)cc2F)C1 ZINC000237948642 570415073 /nfs/dbraw/zinc/41/50/73/570415073.db2.gz XCJBNOMFQQWGLX-LBPRGKRZSA-N -1 0 386.261 3.624 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000238066915 570422953 /nfs/dbraw/zinc/42/29/53/570422953.db2.gz PTFSCPHOZRRSFH-AEFFLSMTSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000238078150 570423009 /nfs/dbraw/zinc/42/30/09/570423009.db2.gz SJGHREVXPBYSQZ-UHFFFAOYSA-N -1 0 376.412 3.945 50 0 GHAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1OC ZINC000026529291 570426649 /nfs/dbraw/zinc/42/66/49/570426649.db2.gz HGDIXIAHYCZNFH-UHFFFAOYSA-N -1 0 394.468 3.634 50 0 GHAARM O=C([O-])CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001861502 570437995 /nfs/dbraw/zinc/43/79/95/570437995.db2.gz PLFYTBZBUVIOJM-UHFFFAOYSA-N -1 0 375.837 3.676 50 0 GHAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000128500350 570461416 /nfs/dbraw/zinc/46/14/16/570461416.db2.gz DTNWUGWNOZYIQS-NSHDSACASA-N -1 0 384.379 3.766 50 0 GHAARM O=C(OCc1nc(=O)c2sccc2[n-]1)C1c2ccccc2Oc2ccccc21 ZINC000005171720 570491651 /nfs/dbraw/zinc/49/16/51/570491651.db2.gz WDLGVGSNLVMJQZ-UHFFFAOYSA-N -1 0 390.420 3.966 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C(C)(C)C)ccc1C ZINC000030713598 570493840 /nfs/dbraw/zinc/49/38/40/570493840.db2.gz HMUZCMYEQJULTM-UHFFFAOYSA-N -1 0 376.478 3.789 50 0 GHAARM O=S(=O)([N-]c1cccc2[nH]cnc21)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000072301881 570505737 /nfs/dbraw/zinc/50/57/37/570505737.db2.gz AOKHIVUDJIVBRI-UHFFFAOYSA-N -1 0 391.399 3.893 50 0 GHAARM CCOc1ccc(NC(=O)c2nc[n-]c2C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000006626516 570510072 /nfs/dbraw/zinc/51/00/72/570510072.db2.gz MRNAINYLAPBEPU-UHFFFAOYSA-N -1 0 394.431 3.712 50 0 GHAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000033007430 570620479 /nfs/dbraw/zinc/62/04/79/570620479.db2.gz RPDRAPUDSUURRT-UHFFFAOYSA-N -1 0 388.489 3.738 50 0 GHAARM Cn1c([O-])c(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O ZINC000005525359 570624980 /nfs/dbraw/zinc/62/49/80/570624980.db2.gz CYNNWQYSWUJZJZ-UHFFFAOYSA-N -1 0 398.462 3.688 50 0 GHAARM O=C([O-])CCCN1C(=O)/C(=C/C2=Cc3cc(Cl)ccc3OC2)SC1=S ZINC000069974814 570702844 /nfs/dbraw/zinc/70/28/44/570702844.db2.gz TXLNBGJCFTUBLR-AUWJEWJLSA-N -1 0 395.889 3.725 50 0 GHAARM O=C(COc1ccc(Br)cc1)c1c(=O)oc2ccccc2c1[O-] ZINC000004392065 570727724 /nfs/dbraw/zinc/72/77/24/570727724.db2.gz VIRFRHPKGQGUCG-UHFFFAOYSA-N -1 0 375.174 3.523 50 0 GHAARM O=C([O-])Cc1csc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 ZINC000012979953 570735515 /nfs/dbraw/zinc/73/55/15/570735515.db2.gz NWNOUEAPHZKFSQ-SFHVURJKSA-N -1 0 398.509 3.920 50 0 GHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000032760162 570795545 /nfs/dbraw/zinc/79/55/45/570795545.db2.gz YKBZXAFFNXDYRB-UHFFFAOYSA-N -1 0 380.473 3.827 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1OC(F)F ZINC000012521393 570828444 /nfs/dbraw/zinc/82/84/44/570828444.db2.gz FZXVUAFFEULSBM-UHFFFAOYSA-N -1 0 394.399 3.954 50 0 GHAARM CCc1ccccc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722909 570830393 /nfs/dbraw/zinc/83/03/93/570830393.db2.gz HFRRVMYFZUFRLV-UHFFFAOYSA-N -1 0 399.450 3.965 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c1 ZINC000101722934 570830398 /nfs/dbraw/zinc/83/03/98/570830398.db2.gz ZLHFYAWONOWSTC-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM CC(=O)C(CC(=O)N1CCC(Cc2ccccc2)CC1)=C([O-])c1ccccc1 ZINC000102219514 570844154 /nfs/dbraw/zinc/84/41/54/570844154.db2.gz LODDISNMZVZTMT-JOCHJYFZSA-N -1 0 377.484 3.946 50 0 GHAARM Cc1cc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2c2ccccc12 ZINC000003264057 570845055 /nfs/dbraw/zinc/84/50/55/570845055.db2.gz KAPOJLKKHGFCHV-UHFFFAOYSA-N -1 0 392.440 3.620 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000014632454 570853061 /nfs/dbraw/zinc/85/30/61/570853061.db2.gz ZZCRZCHEAZGKES-JQWIXIFHSA-N -1 0 376.236 3.835 50 0 GHAARM C[C@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597625 570856104 /nfs/dbraw/zinc/85/61/04/570856104.db2.gz VCBJECIKFGBQGA-PIGZYNQJSA-N -1 0 379.867 3.804 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000033253653 570861676 /nfs/dbraw/zinc/86/16/76/570861676.db2.gz HXSYQQLSFNVHBG-UHFFFAOYSA-N -1 0 382.869 3.685 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253660 570861944 /nfs/dbraw/zinc/86/19/44/570861944.db2.gz MDFUMKPOKSIPHF-UHFFFAOYSA-N -1 0 396.896 3.994 50 0 GHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1Cl ZINC000102818523 570865322 /nfs/dbraw/zinc/86/53/22/570865322.db2.gz NSTJIJWDJGNOQC-MSOLQXFVSA-N -1 0 380.835 3.635 50 0 GHAARM COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170620266 570878062 /nfs/dbraw/zinc/87/80/62/570878062.db2.gz HCJNNMYDTSMMNR-IBGZPJMESA-N -1 0 396.443 3.555 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1F ZINC000101260564 570900560 /nfs/dbraw/zinc/90/05/60/570900560.db2.gz YRJWCHUSEKAYJA-GJZGRUSLSA-N -1 0 392.312 3.651 50 0 GHAARM O=c1nc(SCc2nc(-c3ccc(Cl)cc3)no2)[n-]c2ccsc21 ZINC000016842918 570913543 /nfs/dbraw/zinc/91/35/43/570913543.db2.gz QKDLOKDXIOOGDE-UHFFFAOYSA-N -1 0 376.850 3.980 50 0 GHAARM O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000084544551 571022741 /nfs/dbraw/zinc/02/27/41/571022741.db2.gz FDJILTBMFNSAEE-KRWDZBQOSA-N -1 0 383.398 3.723 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)C2)cc1 ZINC000095374131 571063323 /nfs/dbraw/zinc/06/33/23/571063323.db2.gz YQNMEUGCPXZEFZ-INIZCTEOSA-N -1 0 391.427 3.500 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC000095383419 571069157 /nfs/dbraw/zinc/06/91/57/571069157.db2.gz MBGGRVDVEDZFFH-SFHVURJKSA-N -1 0 375.428 3.795 50 0 GHAARM O=C([O-])COC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000095883866 571095289 /nfs/dbraw/zinc/09/52/89/571095289.db2.gz JQNCKJWAVRGEBT-UHFFFAOYSA-N -1 0 381.428 3.501 50 0 GHAARM O=C([O-])CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000002523969 841635245 /nfs/dbraw/zinc/63/52/45/841635245.db2.gz ZAQSTLVVSHXJNH-UHFFFAOYSA-N -1 0 390.262 3.874 50 0 GHAARM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000563582871 860487885 /nfs/dbraw/zinc/48/78/85/860487885.db2.gz JTBRFBXYUMJZHP-JTQLQIEISA-N -1 0 376.787 3.703 50 0 GHAARM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983104 860733292 /nfs/dbraw/zinc/73/32/92/860733292.db2.gz CIJZOBAUXLPQKQ-OAHLLOKOSA-N -1 0 395.286 3.929 50 0 GHAARM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(c4n[nH]c(=O)[n-]4)CC3)c2c1 ZINC000571600664 864693277 /nfs/dbraw/zinc/69/32/77/864693277.db2.gz AEAGLUISYBEQJG-UHFFFAOYSA-N -1 0 391.475 3.573 50 0 GHAARM C[C@@H]1CCn2ncc(C(=O)N3CCC([C@@H](CC(=O)[O-])c4ccccc4)CC3)c2C1 ZINC000621544412 884830839 /nfs/dbraw/zinc/83/08/39/884830839.db2.gz WDXPTECZTFZOKQ-APWZRJJASA-N -1 0 395.503 3.576 50 0 GHAARM CCOC(=O)c1cnc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000095455299 885662886 /nfs/dbraw/zinc/66/28/86/885662886.db2.gz PLPUAWMWVFVLKS-GQCTYLIASA-N -1 0 376.752 3.689 50 0 GHAARM Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(-c3cc(C(=O)[O-])ccc3Cl)o1)CC(=O)O2 ZINC000095475179 913491788 /nfs/dbraw/zinc/49/17/88/913491788.db2.gz HFLSLSFBHNDHHB-GFCCVEGCSA-N -1 0 399.786 3.736 50 0 GHAARM COc1ccccc1-c1nc(C2CCN(C(=O)c3c([O-])cccc3F)CC2)no1 ZINC000190190265 905842845 /nfs/dbraw/zinc/84/28/45/905842845.db2.gz GQGPGNOAMYGZQH-UHFFFAOYSA-N -1 0 397.406 3.610 50 0 GHAARM COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002759739 203960716 /nfs/dbraw/zinc/96/07/16/203960716.db2.gz HIOPPCSKKYOQFP-WDEREUQCSA-N -1 0 391.470 3.869 50 0 GHAARM O=C([O-])[C@H](Cc1cscn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567695 203949929 /nfs/dbraw/zinc/94/99/29/203949929.db2.gz LSBAZFASKHLHKB-IBGZPJMESA-N -1 0 394.452 3.678 50 0 GHAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000003623800 204015301 /nfs/dbraw/zinc/01/53/01/204015301.db2.gz ITKXYKNEUSYDAQ-GOSISDBHSA-N -1 0 391.851 3.838 50 0 GHAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003623677 204015961 /nfs/dbraw/zinc/01/59/61/204015961.db2.gz LCASIQKJTKZQGV-QGZVFWFLSA-N -1 0 397.880 3.623 50 0 GHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)cc1 ZINC000003653493 204017327 /nfs/dbraw/zinc/01/73/27/204017327.db2.gz CYKSRLRPAGGNMY-UHFFFAOYSA-N -1 0 385.422 3.585 50 0 GHAARM CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000004706316 204066633 /nfs/dbraw/zinc/06/66/33/204066633.db2.gz JBNRTVNSSNRQDM-ZDUSSCGKSA-N -1 0 380.897 3.978 50 0 GHAARM CC(C)(C)c1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004572004 204055115 /nfs/dbraw/zinc/05/51/15/204055115.db2.gz WHVNNPAYVMRTLJ-ZWKOTPCHSA-N -1 0 385.485 3.992 50 0 GHAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000004610561 204056925 /nfs/dbraw/zinc/05/69/25/204056925.db2.gz QMLJSZGHTDNDHV-UHFFFAOYSA-N -1 0 391.221 3.505 50 0 GHAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000004614546 204057928 /nfs/dbraw/zinc/05/79/28/204057928.db2.gz NGXYVEOANQHNPE-UHFFFAOYSA-N -1 0 391.445 3.794 50 0 GHAARM O=C1N2CCSC2=N[C@]1([N-]c1nc2ccc(Cl)cc2s1)C(F)(F)F ZINC000004686856 204063904 /nfs/dbraw/zinc/06/39/04/204063904.db2.gz NFPTWWHAHSVSCX-LBPRGKRZSA-N -1 0 392.815 3.565 50 0 GHAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000006267827 204172991 /nfs/dbraw/zinc/17/29/91/204172991.db2.gz ZTTOXCUOLPQIRM-UHFFFAOYSA-N -1 0 382.441 3.748 50 0 GHAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000006525957 204182362 /nfs/dbraw/zinc/18/23/62/204182362.db2.gz RBDVPWPRWWFUES-UHFFFAOYSA-N -1 0 388.489 3.923 50 0 GHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1 ZINC000006553284 204184238 /nfs/dbraw/zinc/18/42/38/204184238.db2.gz BBFSTYBKXKSZMJ-UHFFFAOYSA-N -1 0 378.881 3.650 50 0 GHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000007051230 204231069 /nfs/dbraw/zinc/23/10/69/204231069.db2.gz KWQZUTMGVFXBJV-UHFFFAOYSA-N -1 0 390.505 3.997 50 0 GHAARM CC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000008606698 204281256 /nfs/dbraw/zinc/28/12/56/204281256.db2.gz YAKAIUAFDCQZIG-UHFFFAOYSA-N -1 0 386.498 3.899 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000008672160 204283903 /nfs/dbraw/zinc/28/39/03/204283903.db2.gz TVRMBYBAQCXRKE-UHFFFAOYSA-N -1 0 390.361 3.892 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(C)(C)C ZINC000008714940 204284693 /nfs/dbraw/zinc/28/46/93/204284693.db2.gz ODJIURXLXWOVNW-UHFFFAOYSA-N -1 0 377.462 3.882 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000009502434 204313336 /nfs/dbraw/zinc/31/33/36/204313336.db2.gz SKMYMYQLOYAGFR-NSHDSACASA-N -1 0 399.921 3.959 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1C(=O)N1CCCC1 ZINC000009684192 204319269 /nfs/dbraw/zinc/31/92/69/204319269.db2.gz VKVUYDCYJGWWSD-UHFFFAOYSA-N -1 0 389.521 3.594 50 0 GHAARM CSc1cccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c1 ZINC000012750231 204442727 /nfs/dbraw/zinc/44/27/27/204442727.db2.gz PIBKUPHGPUHPDF-UHFFFAOYSA-N -1 0 385.464 3.906 50 0 GHAARM O=C(NCCNC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000012980350 204471874 /nfs/dbraw/zinc/47/18/74/204471874.db2.gz IMTUOFIWNBDKDJ-UHFFFAOYSA-N -1 0 387.650 3.512 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2C)n(-c2ccccc2)c1=O ZINC000016662077 204596889 /nfs/dbraw/zinc/59/68/89/204596889.db2.gz FSEMDVQHWDBIKF-UHFFFAOYSA-N -1 0 395.484 3.540 50 0 GHAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078632 204945740 /nfs/dbraw/zinc/94/57/40/204945740.db2.gz GLKYMRVVOPZPKF-UHFFFAOYSA-N -1 0 399.466 3.979 50 0 GHAARM O=C([O-])c1csc(-c2cccc(S(=O)(=O)NC3CCCCCCC3)c2)n1 ZINC000038342415 205035577 /nfs/dbraw/zinc/03/55/77/205035577.db2.gz DXDVVOQDRGLGNF-UHFFFAOYSA-N -1 0 394.518 3.900 50 0 GHAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)C1 ZINC000040288393 205061172 /nfs/dbraw/zinc/06/11/72/205061172.db2.gz FVBBRCOPZGPXHO-LJQANCHMSA-N -1 0 392.455 3.544 50 0 GHAARM CCSCc1ccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000048365000 205122178 /nfs/dbraw/zinc/12/21/78/205122178.db2.gz JWVRFTZQMKTXBF-UHFFFAOYSA-N -1 0 379.503 3.691 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920636 205201088 /nfs/dbraw/zinc/20/10/88/205201088.db2.gz OYAHANMLQWGMFR-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000065184013 205215756 /nfs/dbraw/zinc/21/57/56/205215756.db2.gz IELZKULGGBJTLE-UHFFFAOYSA-N -1 0 382.486 3.725 50 0 GHAARM COc1cc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)cc(OC)c1 ZINC000064757512 205193563 /nfs/dbraw/zinc/19/35/63/205193563.db2.gz CBUZTTBMBLFAAU-UHFFFAOYSA-N -1 0 399.472 3.952 50 0 GHAARM CN1C[C@H](n2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])CCC1=O ZINC000065406639 205234049 /nfs/dbraw/zinc/23/40/49/205234049.db2.gz JJSOYWGNHSXMBL-MRXNPFEDSA-N -1 0 375.428 3.709 50 0 GHAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc3oc4ccccc4c3c1)C2 ZINC000072144315 205310951 /nfs/dbraw/zinc/31/09/51/205310951.db2.gz FWXWSNWDVXJEQH-UHFFFAOYSA-N -1 0 375.428 3.816 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)c1csc(C2CC2)n1)c1cccc(Br)c1 ZINC000138008981 205697943 /nfs/dbraw/zinc/69/79/43/205697943.db2.gz LKAPKLKXYULNFM-GFCCVEGCSA-N -1 0 395.278 3.729 50 0 GHAARM O=S(=O)([N-]c1cccc(-n2cccn2)c1)c1ccccc1OC(F)(F)F ZINC000055589835 205954229 /nfs/dbraw/zinc/95/42/29/205954229.db2.gz HWRZUOJCYMNHKJ-UHFFFAOYSA-N -1 0 383.351 3.572 50 0 GHAARM CCc1cccc(S(=O)(=O)[N-]c2nccn2Cc2ccccc2Cl)c1 ZINC000225395575 206045953 /nfs/dbraw/zinc/04/59/53/206045953.db2.gz UWWIIPVBQRSFQV-UHFFFAOYSA-N -1 0 375.881 3.948 50 0 GHAARM O=C([O-])C[C@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000098012561 206125003 /nfs/dbraw/zinc/12/50/03/206125003.db2.gz QBHUAXHVBMIIHO-CMUBDUJZSA-N -1 0 377.849 3.719 50 0 GHAARM Cc1nnc(N2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)c2ccccc12 ZINC000091707052 136177086 /nfs/dbraw/zinc/17/70/86/136177086.db2.gz QLCOEYBTKWJDDU-UHFFFAOYSA-N -1 0 381.407 3.580 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)s2)cc1 ZINC000238901032 523193667 /nfs/dbraw/zinc/19/36/67/523193667.db2.gz KOFFTDZVUDRBPT-CTYIDZIISA-N -1 0 388.489 3.748 50 0 GHAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589734 534955124 /nfs/dbraw/zinc/95/51/24/534955124.db2.gz LTKVANIHWBAETJ-UHFFFAOYSA-N -1 0 381.476 3.840 50 0 GHAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2ccc3ccccc3n2)CC1 ZINC000082137704 537088255 /nfs/dbraw/zinc/08/82/55/537088255.db2.gz SEYFPBFNWIBVBS-UHFFFAOYSA-N -1 0 378.428 3.746 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1Br)C(=O)[O-] ZINC000000622324 570210639 /nfs/dbraw/zinc/21/06/39/570210639.db2.gz LRWBZPYAVUGRHS-KRWDZBQOSA-N -1 0 384.270 3.846 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621911 570210651 /nfs/dbraw/zinc/21/06/51/570210651.db2.gz DXIVJCDZOMUITR-OAQYLSRUSA-N -1 0 388.423 3.616 50 0 GHAARM O=c1c2ccccc2[n-]c(=S)n1Cc1cccc(COC2CCOCC2)c1 ZINC000111413332 570216299 /nfs/dbraw/zinc/21/62/99/570216299.db2.gz IBTKLWZBCRCFLD-UHFFFAOYSA-N -1 0 382.485 3.803 50 0 GHAARM O=C(Nc1cc(Br)ccc1O)[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000000814989 570224791 /nfs/dbraw/zinc/22/47/91/570224791.db2.gz NQUDWHSRLAEDSE-HNNXBMFYSA-N -1 0 395.640 3.940 50 0 GHAARM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035083505 570232168 /nfs/dbraw/zinc/23/21/68/570232168.db2.gz MXFKKMXYRDBUCK-YWZLYKJASA-N -1 0 378.428 3.757 50 0 GHAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000971106 570232637 /nfs/dbraw/zinc/23/26/37/570232637.db2.gz FTUWSZLTOPTYLV-UJKMTWAASA-N -1 0 395.414 3.781 50 0 GHAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccccc1I ZINC000001040966 570237562 /nfs/dbraw/zinc/23/75/62/570237562.db2.gz BHACKNZMMWPJCJ-UHFFFAOYSA-N -1 0 393.633 3.745 50 0 GHAARM COc1ccc(/C=C\C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1OC ZINC000006091157 570242252 /nfs/dbraw/zinc/24/22/52/570242252.db2.gz BSIRTWIPKKFSKD-NTMALXAHSA-N -1 0 387.457 3.994 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000001216850 570258963 /nfs/dbraw/zinc/25/89/63/570258963.db2.gz PVWQEMBUSVBUCR-UHFFFAOYSA-N -1 0 392.411 3.566 50 0 GHAARM CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002384756 570285325 /nfs/dbraw/zinc/28/53/25/570285325.db2.gz REITVGIIZHFVGU-IBGZPJMESA-N -1 0 383.444 3.793 50 0 GHAARM CCOc1ccc2sc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)nc2c1 ZINC000002858813 570310663 /nfs/dbraw/zinc/31/06/63/570310663.db2.gz BUDNMBPMBINVOU-UHFFFAOYSA-N -1 0 394.474 3.513 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006221759 570343725 /nfs/dbraw/zinc/34/37/25/570343725.db2.gz KLTNBKGZTGILEM-ZWKOTPCHSA-N -1 0 385.464 3.746 50 0 GHAARM Cc1cc(F)ccc1-c1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1F ZINC000237649271 570385982 /nfs/dbraw/zinc/38/59/82/570385982.db2.gz XZSVUYVITPMBPG-UHFFFAOYSA-N -1 0 389.398 3.646 50 0 GHAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006343635 570392125 /nfs/dbraw/zinc/39/21/25/570392125.db2.gz GAFZVYWMVZLUOP-UHFFFAOYSA-N -1 0 398.459 3.899 50 0 GHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnnn2C2CC2)cc1 ZINC000024843470 570396401 /nfs/dbraw/zinc/39/64/01/570396401.db2.gz BUCFMBZAVBFBRZ-CQSZACIVSA-N -1 0 397.504 3.989 50 0 GHAARM O=C([O-])CCN(C(=O)CCCc1cc(Cl)sc1Cl)C1CCOCC1 ZINC000238062627 570422739 /nfs/dbraw/zinc/42/27/39/570422739.db2.gz YAWYDFPOLNCFEW-UHFFFAOYSA-N -1 0 394.320 3.860 50 0 GHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[n-]c1=S ZINC000016506231 570446050 /nfs/dbraw/zinc/44/60/50/570446050.db2.gz STPLPFPZABDGKQ-UHFFFAOYSA-N -1 0 397.500 3.965 50 0 GHAARM Cc1ccc(Cn2cc(N3C(=S)N=NC3COc3ccc(F)cc3)cn2)cc1 ZINC000002808581 570519727 /nfs/dbraw/zinc/51/97/27/570519727.db2.gz MPCVLYXLKNRVMN-UHFFFAOYSA-N -1 0 395.463 3.827 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000001131061 570534903 /nfs/dbraw/zinc/53/49/03/570534903.db2.gz QVLXJLPOVGFCRS-RTBURBONSA-N -1 0 394.427 3.553 50 0 GHAARM CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962262 570542903 /nfs/dbraw/zinc/54/29/03/570542903.db2.gz FVNRXPDTBDMLCU-UHFFFAOYSA-N -1 0 389.260 3.558 50 0 GHAARM C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005529851 570626843 /nfs/dbraw/zinc/62/68/43/570626843.db2.gz MJDYUFYIOGAURV-WMNUSELNSA-N -1 0 385.504 3.771 50 0 biogenic GHAARM Cc1ccc(S(=O)(=O)OC2(C(=O)[O-])c3ccccc3-c3ccccc32)cc1 ZINC000096594109 570647707 /nfs/dbraw/zinc/64/77/07/570647707.db2.gz LSUGWOCZTVATHF-UHFFFAOYSA-N -1 0 380.421 3.709 50 0 GHAARM COc1ccc2sc([N-]c3nnc(-c4ccc5c(c4)OCCO5)o3)nc2c1 ZINC000004359840 570706263 /nfs/dbraw/zinc/70/62/63/570706263.db2.gz QVIBMHFZGHGKCV-UHFFFAOYSA-N -1 0 382.401 3.870 50 0 GHAARM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000263243700 570727761 /nfs/dbraw/zinc/72/77/61/570727761.db2.gz OCYNRQDVSVZNNV-FXBDTBDDSA-N -1 0 399.196 3.959 50 0 GHAARM C[C@H]1CCc2c(sc3nc(=O)n4nc(COc5ccccc5F)[n-]c4c23)C1 ZINC000032682175 570737167 /nfs/dbraw/zinc/73/71/67/570737167.db2.gz KUMAVBBQPPNIBJ-JTQLQIEISA-N -1 0 384.436 3.888 50 0 GHAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000013059041 570744058 /nfs/dbraw/zinc/74/40/58/570744058.db2.gz QUZXZNWCSHBLIN-UHFFFAOYSA-N -1 0 378.881 3.813 50 0 GHAARM O=c1cc(CNc2cccc(C(F)(F)F)c2)nc2[n-]c(-c3cccs3)nn21 ZINC000101842000 570833268 /nfs/dbraw/zinc/83/32/68/570833268.db2.gz PMJFPRFUEJJFNM-UHFFFAOYSA-N -1 0 391.378 3.777 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-c2csc(C)n2)c1 ZINC000012541717 570842832 /nfs/dbraw/zinc/84/28/32/570842832.db2.gz GLHDXWDVAKIHCK-UHFFFAOYSA-N -1 0 394.499 3.767 50 0 GHAARM COc1cnccc1[C@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000170603186 570861981 /nfs/dbraw/zinc/86/19/81/570861981.db2.gz NVQJRZZKPDRVQG-AWEZNQCLSA-N -1 0 380.448 3.596 50 0 GHAARM O=S(=O)([N-]c1ccc2[nH]c(C(F)F)nc2c1)c1c[nH]c2cccc(F)c21 ZINC000170609274 570865482 /nfs/dbraw/zinc/86/54/82/570865482.db2.gz HSTRPBRFKGOCFZ-UHFFFAOYSA-N -1 0 380.351 3.922 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)c(C)c1 ZINC000170609110 570865712 /nfs/dbraw/zinc/86/57/12/570865712.db2.gz OUTBDRWWDZXEHV-UHFFFAOYSA-N -1 0 389.864 3.915 50 0 GHAARM CC(C)(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000013696510 570900554 /nfs/dbraw/zinc/90/05/54/570900554.db2.gz LMUVDPPHWZWAGR-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000089588983 570906807 /nfs/dbraw/zinc/90/68/07/570906807.db2.gz IKQCMUBULJKKSF-UHFFFAOYSA-N -1 0 398.278 3.589 50 0 GHAARM Cc1nc2sc([C@H](c3ccccc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156834 570920969 /nfs/dbraw/zinc/92/09/69/570920969.db2.gz OCWAEYXEHNJJFQ-SFHVURJKSA-N -1 0 376.485 3.953 50 0 GHAARM CCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000017081504 570926999 /nfs/dbraw/zinc/92/69/99/570926999.db2.gz GJFLINJYZXWXIR-VAWYXSNFSA-N -1 0 398.484 3.868 50 0 GHAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC000016580454 570928356 /nfs/dbraw/zinc/92/83/56/570928356.db2.gz IRPQWIPKFDIBEQ-UHFFFAOYSA-N -1 0 393.515 3.820 50 0 GHAARM CCCc1cc(=O)n2nc(NC(=O)C(c3ccccc3)c3ccccc3)[n-]c2n1 ZINC000017028670 570937555 /nfs/dbraw/zinc/93/75/55/570937555.db2.gz HZKXKVHCLOGORE-UHFFFAOYSA-N -1 0 387.443 3.553 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)cc1 ZINC000017209145 570943622 /nfs/dbraw/zinc/94/36/22/570943622.db2.gz XGYQOIZECFEVCH-UHFFFAOYSA-N -1 0 394.456 3.944 50 0 aggregator GHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237689967 570944395 /nfs/dbraw/zinc/94/43/95/570944395.db2.gz VGWRVBQPCVWJEX-INIZCTEOSA-N -1 0 398.459 3.931 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000238064606 570945352 /nfs/dbraw/zinc/94/53/52/570945352.db2.gz APMDUCPYGWQCIW-IAGOWNOFSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240637 570994826 /nfs/dbraw/zinc/99/48/26/570994826.db2.gz SMUOKBCQBWCMSA-MRXNPFEDSA-N -1 0 395.455 3.891 50 0 GHAARM Cc1ccn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731608 861555161 /nfs/dbraw/zinc/55/51/61/861555161.db2.gz FAUBBYUOFORKLR-UHFFFAOYSA-N -1 0 385.884 3.733 50 0 GHAARM Cc1cc(C)n([N-]C(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c(=O)c1 ZINC000002792394 861629516 /nfs/dbraw/zinc/62/95/16/861629516.db2.gz CWUBBSXFOCINOX-UHFFFAOYSA-N -1 0 386.835 3.983 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 ZINC000079112535 849316127 /nfs/dbraw/zinc/31/61/27/849316127.db2.gz QJTHMVULEGAUSB-AWEZNQCLSA-N -1 0 391.221 3.585 50 0 GHAARM O=C(NC1CCCC1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002972130 862077334 /nfs/dbraw/zinc/07/73/34/862077334.db2.gz QQLHKAZMXHCZFJ-UHFFFAOYSA-N -1 0 385.533 3.924 50 0 GHAARM COc1cccc(C2CCN(C(=O)c3nn(-c4ccccc4F)cc3[O-])CC2)c1 ZINC000171474881 862285903 /nfs/dbraw/zinc/28/59/03/862285903.db2.gz LLPIULFRTBNDFE-UHFFFAOYSA-N -1 0 395.434 3.745 50 0 GHAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032070531 862797773 /nfs/dbraw/zinc/79/77/73/862797773.db2.gz ZNAJWHMYZTZKMG-LJQANCHMSA-N -1 0 392.484 3.726 50 0 GHAARM O=C([O-])COc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000543710631 859859242 /nfs/dbraw/zinc/85/92/42/859859242.db2.gz CXOBWMNEYOYSEH-UHFFFAOYSA-N -1 0 377.396 3.981 50 0 GHAARM CCCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361408 859894458 /nfs/dbraw/zinc/89/44/58/859894458.db2.gz KRMIJSVXIVDXSX-UHFFFAOYSA-N -1 0 390.490 3.629 50 0 GHAARM CN(CCc1cn[nH]c1)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000096354876 860898579 /nfs/dbraw/zinc/89/85/79/860898579.db2.gz FEOBLNFGAWKSPW-UHFFFAOYSA-N -1 0 398.850 3.693 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1-c1nnc(C2CC2)o1 ZINC000096379632 860906631 /nfs/dbraw/zinc/90/66/31/860906631.db2.gz NMXSCKCPPQFHAD-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)c(C)o2)n[nH]1 ZINC000096386744 860911140 /nfs/dbraw/zinc/91/11/40/860911140.db2.gz QLVOBHCWDWQVKF-UHFFFAOYSA-N -1 0 396.266 3.850 50 0 GHAARM Cc1nn(CC(=O)[O-])c2c1[C@H](C(c1ccccc1)c1ccccc1)CC(=O)N2 ZINC000065396271 869097709 /nfs/dbraw/zinc/09/77/09/869097709.db2.gz PEHWXLLKQIFYEW-QGZVFWFLSA-N -1 0 375.428 3.534 50 0 GHAARM O=C(COc1ccc(Cl)c2ccccc12)N/N=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000032609442 874498117 /nfs/dbraw/zinc/49/81/17/874498117.db2.gz LIAXMCGQEDMCKZ-FBHDLOMBSA-N -1 0 399.790 3.636 50 0 GHAARM COc1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1OC(F)F ZINC000621587992 885301497 /nfs/dbraw/zinc/30/14/97/885301497.db2.gz NRQZWRCOOWHKJK-LSDHHAIUSA-N -1 0 391.370 3.727 50 0 GHAARM CCn1c(=O)c(/C=C\c2ccccc2OC(F)F)nc2cc(C(=O)[O-])ccc21 ZINC000096875374 915120454 /nfs/dbraw/zinc/12/04/54/915120454.db2.gz YEILZEQFPISWBA-CLFYSBASSA-N -1 0 386.354 3.886 50 0 GHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(=O)/C=C\C(=O)[O-] ZINC000096930542 915215168 /nfs/dbraw/zinc/21/51/68/915215168.db2.gz SJHNSWRZXUFDRM-QXMHVHEDSA-N -1 0 395.846 3.792 50 0 GHAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCc4ccccc4)c(=O)n1c23 ZINC000006166779 916530442 /nfs/dbraw/zinc/53/04/42/916530442.db2.gz LSULBJMJYUGLHI-AWEZNQCLSA-N -1 0 394.446 3.716 50 0 GHAARM Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534578 930485367 /nfs/dbraw/zinc/48/53/67/930485367.db2.gz RSPUGXILVXQSIU-AFAVFJNCSA-N -1 0 384.480 3.746 50 0 GHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000066087892 230949113 /nfs/dbraw/zinc/94/91/13/230949113.db2.gz DBKICPFDDKSGQY-AWEZNQCLSA-N -1 0 394.358 3.517 50 0 GHAARM Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)s1 ZINC000426368348 231208615 /nfs/dbraw/zinc/20/86/15/231208615.db2.gz UEDPHIVOIGLZEG-FIKGOQFSSA-N -1 0 384.501 3.871 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Br)cc1)C(=O)[O-] ZINC000000622331 203842273 /nfs/dbraw/zinc/84/22/73/203842273.db2.gz VQWRXYZZPMLJRL-QGZVFWFLSA-N -1 0 384.270 3.846 50 0 GHAARM COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000004860082 204082995 /nfs/dbraw/zinc/08/29/95/204082995.db2.gz XXYLWDGZILYUBF-LJQANCHMSA-N -1 0 396.443 3.555 50 0 GHAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483412 204047372 /nfs/dbraw/zinc/04/73/72/204047372.db2.gz DMAODUWHGHUAPL-LSDHHAIUSA-N -1 0 393.205 3.626 50 0 GHAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1C ZINC000004690637 204063854 /nfs/dbraw/zinc/06/38/54/204063854.db2.gz ZAGRDXQJPZFPBD-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000005099658 204111167 /nfs/dbraw/zinc/11/11/67/204111167.db2.gz JAEWKVLBVJEGSV-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3F)c2)nn1 ZINC000005204296 204119633 /nfs/dbraw/zinc/11/96/33/204119633.db2.gz MNDGWXVSRPNSML-UHFFFAOYSA-N -1 0 391.399 3.621 50 0 GHAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000005033390 204105026 /nfs/dbraw/zinc/10/50/26/204105026.db2.gz OYMVAANXESGYDB-UHFFFAOYSA-N -1 0 390.321 3.545 50 0 GHAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147185 204168008 /nfs/dbraw/zinc/16/80/08/204168008.db2.gz LZUSWWVVMTZUAS-UHFFFAOYSA-N -1 0 398.459 3.599 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000006887681 204219996 /nfs/dbraw/zinc/21/99/96/204219996.db2.gz KUDFZRMZQGGXKU-UHFFFAOYSA-N -1 0 388.445 3.858 50 0 GHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2c(Cl)cccc2Cl)cc1 ZINC000006233946 204171543 /nfs/dbraw/zinc/17/15/43/204171543.db2.gz YIWQDHKMQQJSOC-UHFFFAOYSA-N -1 0 388.272 3.577 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1C ZINC000006235038 204171858 /nfs/dbraw/zinc/17/18/58/204171858.db2.gz OOZBWDLIBXEDBI-UHFFFAOYSA-N -1 0 392.908 3.994 50 0 GHAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007054761 204231517 /nfs/dbraw/zinc/23/15/17/204231517.db2.gz SQTKKGURTZQYDG-UHFFFAOYSA-N -1 0 384.860 3.762 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007726686 204247182 /nfs/dbraw/zinc/24/71/82/204247182.db2.gz BDKPFHLRPFDOMU-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 ZINC000009009639 204296852 /nfs/dbraw/zinc/29/68/52/204296852.db2.gz PTKLITULSWPWCX-GCJKJVERSA-N -1 0 375.428 3.630 50 0 GHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000009089895 204298594 /nfs/dbraw/zinc/29/85/94/204298594.db2.gz YMLQUSULRKRLFJ-UTKZUKDTSA-N -1 0 395.846 3.975 50 0 GHAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009111614 204300389 /nfs/dbraw/zinc/30/03/89/204300389.db2.gz APJTVBURQAUPTE-ATVHPVEESA-N -1 0 399.834 3.708 50 0 GHAARM O=C([O-])COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000012408147 204405566 /nfs/dbraw/zinc/40/55/66/204405566.db2.gz KEHQDCWUXOPZMQ-UHFFFAOYSA-N -1 0 375.174 3.686 50 0 GHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1)c1ccco1 ZINC000022411519 204781527 /nfs/dbraw/zinc/78/15/27/204781527.db2.gz KGEPATAYBNKOCQ-UHFFFAOYSA-N -1 0 378.356 3.611 50 0 GHAARM CC(=O)Nc1cc(C(=O)CSc2nccn2-c2ccccc2C)ccc1[O-] ZINC000026047205 204837240 /nfs/dbraw/zinc/83/72/40/204837240.db2.gz XFGJEYBZOKPKDI-UHFFFAOYSA-N -1 0 381.457 3.820 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000041091693 205076318 /nfs/dbraw/zinc/07/63/18/205076318.db2.gz MBAJKYBKJGIAMV-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C(Cc1nc(=O)c2sc(-c3ccccc3)cc2[n-]1)NCc1ccccc1 ZINC000053846286 205138459 /nfs/dbraw/zinc/13/84/59/205138459.db2.gz NEMABBPRBBGBEE-UHFFFAOYSA-N -1 0 375.453 3.511 50 0 GHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055149381 205143389 /nfs/dbraw/zinc/14/33/89/205143389.db2.gz HXLBJTPZTCMPMA-QZTJIDSGSA-N -1 0 378.428 3.853 50 0 GHAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1cnn(-c2ccccc2)c1 ZINC000058366926 205173812 /nfs/dbraw/zinc/17/38/12/205173812.db2.gz URSCMABMGFMRCN-UHFFFAOYSA-N -1 0 392.440 3.860 50 0 GHAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c(C)c1 ZINC000064919617 205200513 /nfs/dbraw/zinc/20/05/13/205200513.db2.gz AHXLZEYBPVSYEN-UHFFFAOYSA-N -1 0 392.546 3.639 50 0 GHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000064979476 205204202 /nfs/dbraw/zinc/20/42/02/205204202.db2.gz TZEFBBQIIMZNNF-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000064979583 205204425 /nfs/dbraw/zinc/20/44/25/205204425.db2.gz OPZGLNSVCIAVML-UHFFFAOYSA-N -1 0 382.800 3.944 50 0 GHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1 ZINC000065112437 205210742 /nfs/dbraw/zinc/21/07/42/205210742.db2.gz IUWDGLXRUKLYGE-UHFFFAOYSA-N -1 0 377.491 3.749 50 0 GHAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)NCCCc4ccccc4)c([O-])c23)C1 ZINC000065150396 205213424 /nfs/dbraw/zinc/21/34/24/205213424.db2.gz XUJLDKGLMHUPDO-CYBMUJFWSA-N -1 0 396.512 3.783 50 0 GHAARM CCOc1ccc(-c2noc(-c3c(=O)[nH]c4ccc(C)cc4c3[O-])n2)cc1OC ZINC000065248657 205222129 /nfs/dbraw/zinc/22/21/29/205222129.db2.gz GKXGPBQMHUVGKP-UHFFFAOYSA-N -1 0 393.399 3.666 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246353 205222141 /nfs/dbraw/zinc/22/21/41/205222141.db2.gz FFNTXMHMQGDCNQ-UHFFFAOYSA-N -1 0 395.824 3.670 50 0 GHAARM O=C([O-])CSc1nnc(-c2cccnc2)n1-c1ccccc1C(F)(F)F ZINC000065384373 205233989 /nfs/dbraw/zinc/23/39/89/205233989.db2.gz PXHUOCOHTQAYIA-UHFFFAOYSA-N -1 0 380.351 3.525 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)c(Br)c1 ZINC000065215155 205219298 /nfs/dbraw/zinc/21/92/98/205219298.db2.gz QSQUFXOTCLBLQH-UHFFFAOYSA-N -1 0 379.235 3.618 50 0 GHAARM CC1(C)[C@H](C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3F)c2)[C@@H]1C(=O)[O-] ZINC000071285241 205280751 /nfs/dbraw/zinc/28/07/51/205280751.db2.gz FMBJRVPRJNRNMJ-JKSUJKDBSA-N -1 0 388.370 3.512 50 0 GHAARM O=C(COc1ccc2cc(Br)ccc2c1)[N-]O[C@H]1CCCCO1 ZINC000072058846 205303539 /nfs/dbraw/zinc/30/35/39/205303539.db2.gz SWWNOXCULOTYKS-KRWDZBQOSA-N -1 0 380.238 3.556 50 0 GHAARM CCOc1ccc(-c2ccnc(NCc3nc4ccccc4[nH]3)n2)cc1C(=O)[O-] ZINC000077388427 205360570 /nfs/dbraw/zinc/36/05/70/205360570.db2.gz IVMODOVTLBADSA-UHFFFAOYSA-N -1 0 389.415 3.729 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccccc3-n3cccn3)C2)c1 ZINC000095358415 205443530 /nfs/dbraw/zinc/44/35/30/205443530.db2.gz HJIRZDGXPAVXGW-SFHVURJKSA-N -1 0 375.428 3.590 50 0 GHAARM COc1ccc(F)c(F)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095371183 205446298 /nfs/dbraw/zinc/44/62/98/205446298.db2.gz RZDAQVDATLWIIQ-CQSZACIVSA-N -1 0 375.371 3.691 50 0 GHAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)cc21 ZINC000237783610 205685807 /nfs/dbraw/zinc/68/58/07/205685807.db2.gz MAAKWLXVFMRXDG-UHFFFAOYSA-N -1 0 380.419 3.874 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)c(Cl)c1 ZINC000225450061 206050099 /nfs/dbraw/zinc/05/00/99/206050099.db2.gz ZAZKGXWSECHUPO-UHFFFAOYSA-N -1 0 397.287 3.742 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)c(Cl)cc1Cl ZINC000096123404 206119074 /nfs/dbraw/zinc/11/90/74/206119074.db2.gz MDIAXWXXVRZOAC-UHFFFAOYSA-N -1 0 390.292 3.651 50 0 GHAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN(c2nc3ccccc3cc2CO)C1 ZINC000071762647 136166304 /nfs/dbraw/zinc/16/63/04/136166304.db2.gz XQRYMROPXSJWGY-QHCPKHFHSA-N -1 0 376.456 3.641 50 0 GHAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000178261694 526327143 /nfs/dbraw/zinc/32/71/43/526327143.db2.gz GZHVUZYFVYENSG-NSHDSACASA-N -1 0 381.215 3.727 50 0 GHAARM C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000012000861 570227869 /nfs/dbraw/zinc/22/78/69/570227869.db2.gz PEFKNPBATBZNQX-ZDUSSCGKSA-N -1 0 379.441 3.961 50 0 GHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000953557 570231426 /nfs/dbraw/zinc/23/14/26/570231426.db2.gz DDTGJTCEKLOLRD-KRWDZBQOSA-N -1 0 377.462 3.565 50 0 GHAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000001041528 570237611 /nfs/dbraw/zinc/23/76/11/570237611.db2.gz HMYLMANNHRRXRU-UXHICEINSA-N -1 0 377.396 3.854 50 0 GHAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccccc2Cl)C1 ZINC000001077168 570240892 /nfs/dbraw/zinc/24/08/92/570240892.db2.gz BQVQWRZBZUOBCG-KRWDZBQOSA-N -1 0 386.835 3.891 50 0 GHAARM COc1cc(NC(=O)CSCc2ccc(Cl)cc2)c(C(=O)[O-])cc1OC ZINC000001170758 570252980 /nfs/dbraw/zinc/25/29/80/570252980.db2.gz QJBZOUJYUMWUAE-UHFFFAOYSA-N -1 0 395.864 3.927 50 0 GHAARM COc1c(Br)c([O-])c(Br)c(OC)c1Br ZINC000002545422 570290290 /nfs/dbraw/zinc/29/02/90/570290290.db2.gz YMWMNPGPCPPZBM-UHFFFAOYSA-N -1 0 390.853 3.697 50 0 GHAARM O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000003327972 570339766 /nfs/dbraw/zinc/33/97/66/570339766.db2.gz VSRSQRYILCZIFO-UHFFFAOYSA-N -1 0 388.272 3.659 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)cs1 ZINC000035405157 570351783 /nfs/dbraw/zinc/35/17/83/570351783.db2.gz SDTLPQDMUSLOGA-UHFFFAOYSA-N -1 0 378.519 3.737 50 0 GHAARM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237519238 570374990 /nfs/dbraw/zinc/37/49/90/570374990.db2.gz KKISVPHGXDEDKO-GFCCVEGCSA-N -1 0 388.291 3.654 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000238070119 570422287 /nfs/dbraw/zinc/42/22/87/570422287.db2.gz YDRBCKJQTOTTBG-HOTGVXAUSA-N -1 0 386.275 3.579 50 0 GHAARM COCC[C@@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000400240374 570423721 /nfs/dbraw/zinc/42/37/21/570423721.db2.gz CAOKLPZUNDVULO-QHCPKHFHSA-N -1 0 395.455 3.749 50 0 GHAARM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2s1 ZINC000005135023 570424139 /nfs/dbraw/zinc/42/41/39/570424139.db2.gz KYFDRVJSGQDXDW-UHFFFAOYSA-N -1 0 376.459 3.721 50 0 GHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000238997493 570427738 /nfs/dbraw/zinc/42/77/38/570427738.db2.gz AJOWESKTXGCGOZ-JHJVBQTASA-N -1 0 392.521 3.582 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000268936020 570477555 /nfs/dbraw/zinc/47/75/55/570477555.db2.gz HRMAYYRSPSLKPC-XKQJLSEDSA-N -1 0 386.423 3.658 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005014089 570541131 /nfs/dbraw/zinc/54/11/31/570541131.db2.gz RNBPEGROAAOWEM-LSDHHAIUSA-N -1 0 390.867 3.572 50 0 GHAARM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)c1 ZINC000032962112 570542358 /nfs/dbraw/zinc/54/23/58/570542358.db2.gz PLBUZMDJKRUDIV-UHFFFAOYSA-N -1 0 388.489 3.874 50 0 GHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)COc2ccccc2Cl)c1 ZINC000004599738 570632998 /nfs/dbraw/zinc/63/29/98/570632998.db2.gz MHBNGRDGJXRUFR-UHFFFAOYSA-N -1 0 399.255 3.584 50 0 GHAARM COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000012731822 570706667 /nfs/dbraw/zinc/70/66/67/570706667.db2.gz ZBUNPUYSKYTBLP-MHWRWJLKSA-N -1 0 399.424 3.639 50 0 GHAARM Cc1c(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000001160314 570712932 /nfs/dbraw/zinc/71/29/32/570712932.db2.gz ZGEIAIWDKPNLBW-UHFFFAOYSA-N -1 0 394.905 3.952 50 0 GHAARM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc(OC)c1OC ZINC000000937101 570727738 /nfs/dbraw/zinc/72/77/38/570727738.db2.gz CWLQYMRCMGSKDF-UHFFFAOYSA-N -1 0 391.445 3.603 50 0 GHAARM Cc1ccc(N(C(=O)c2ccco2)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000004387935 570732125 /nfs/dbraw/zinc/73/21/25/570732125.db2.gz AEUKKKZPHLPQCY-IBGZPJMESA-N -1 0 388.423 3.875 50 0 GHAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)CC1 ZINC000013183537 570750136 /nfs/dbraw/zinc/75/01/36/570750136.db2.gz VONKQYICARPZBV-UHFFFAOYSA-N -1 0 392.452 3.561 50 0 GHAARM Cc1cc2oc(-c3ccc4c(c3)OCO4)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000524729822 570764185 /nfs/dbraw/zinc/76/41/85/570764185.db2.gz KUQFDZIUTCZCCQ-UHFFFAOYSA-N -1 0 394.335 3.724 50 0 biogenic GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000238018545 570776729 /nfs/dbraw/zinc/77/67/29/570776729.db2.gz AJRRAPHSHRMBNI-LLVKDONJSA-N -1 0 380.238 3.912 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101260499 570817439 /nfs/dbraw/zinc/81/74/39/570817439.db2.gz AVCPPPGGYBEPEZ-CVEARBPZSA-N -1 0 388.349 3.766 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101418432 570822702 /nfs/dbraw/zinc/82/27/02/570822702.db2.gz YRINRQUYHAADQY-UXHICEINSA-N -1 0 376.460 3.668 50 0 GHAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012536040 570835847 /nfs/dbraw/zinc/83/58/47/570835847.db2.gz IORNBWDVDMFRHJ-UHFFFAOYSA-N -1 0 393.770 3.946 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3cc(Cl)ccc3C)c2=O)n1 ZINC000101831023 570836275 /nfs/dbraw/zinc/83/62/75/570836275.db2.gz AXFIZXJUTBKQHK-UHFFFAOYSA-N -1 0 376.869 3.794 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1nccs1 ZINC000101831199 570836313 /nfs/dbraw/zinc/83/63/13/570836313.db2.gz JIOOXBFAKNIXEY-UHFFFAOYSA-N -1 0 397.485 3.648 50 0 GHAARM COC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000012551688 570854857 /nfs/dbraw/zinc/85/48/57/570854857.db2.gz MMYRPSSDZHHHON-SFHVURJKSA-N -1 0 396.468 3.576 50 0 GHAARM CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102752658 570862073 /nfs/dbraw/zinc/86/20/73/570862073.db2.gz DYGSNVAEYHBMBN-MISYRCLQSA-N -1 0 380.444 3.564 50 0 GHAARM COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000004550567 570865187 /nfs/dbraw/zinc/86/51/87/570865187.db2.gz QWKAEISTZIZLBT-CQSZACIVSA-N -1 0 396.226 3.726 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)c(C)cc1Cl ZINC000017080727 570941315 /nfs/dbraw/zinc/94/13/15/570941315.db2.gz BBLNAANVJQBAEG-UHFFFAOYSA-N -1 0 394.859 3.537 50 0 GHAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3SC(F)(F)F)cc2o1 ZINC000032932349 570945243 /nfs/dbraw/zinc/94/52/43/570945243.db2.gz LRFJYZUBWGJVOJ-UHFFFAOYSA-N -1 0 390.364 3.946 50 0 GHAARM Cc1c(C(=O)[O-])sc2ncn(CCCOc3ccc(Cl)cc3)c(=O)c12 ZINC000019620880 571021516 /nfs/dbraw/zinc/02/15/16/571021516.db2.gz YARAIKZQKBAFIA-UHFFFAOYSA-N -1 0 378.837 3.587 50 0 GHAARM Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc2sc(N)nc21 ZINC000095374501 571063237 /nfs/dbraw/zinc/06/32/37/571063237.db2.gz IITQVCBGBDVTDA-OAHLLOKOSA-N -1 0 395.484 3.905 50 0 GHAARM Cc1cc2oc(-c3ccc4c(c3)CCO4)c(-c3c(=O)cc(C)oc3[O-])c2c(=O)o1 ZINC000888089281 843629086 /nfs/dbraw/zinc/62/90/86/843629086.db2.gz SFXZOSDPJYTIRN-UHFFFAOYSA-N -1 0 392.363 3.931 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c2[n-]cc(C(=O)Nc3ccccc3C)c(=O)c12 ZINC000004316380 862955677 /nfs/dbraw/zinc/95/56/77/862955677.db2.gz FORPJLAKWWRILX-UHFFFAOYSA-N -1 0 376.391 3.722 50 0 GHAARM O=C(C[C@H]1CN(Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983105 860733127 /nfs/dbraw/zinc/73/31/27/860733127.db2.gz CIJZOBAUXLPQKQ-HNNXBMFYSA-N -1 0 395.286 3.929 50 0 GHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc1 ZINC000096323500 860879595 /nfs/dbraw/zinc/87/95/95/860879595.db2.gz GPYWUQOVMLJSPX-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000096379470 860906976 /nfs/dbraw/zinc/90/69/76/860906976.db2.gz SYEAMLPDYKGZTM-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)n1 ZINC000096379748 860908791 /nfs/dbraw/zinc/90/87/91/860908791.db2.gz ITZLWPWDFYXZIZ-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000066087844 878037909 /nfs/dbraw/zinc/03/79/09/878037909.db2.gz HVTMBIFIUFZFCC-CQSZACIVSA-N -1 0 394.358 3.517 50 0 GHAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000190992810 887362695 /nfs/dbraw/zinc/36/26/95/887362695.db2.gz CTGKWJSUFIERLP-INIZCTEOSA-N -1 0 394.418 3.530 50 0 GHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2C)o1 ZINC000096379419 914443027 /nfs/dbraw/zinc/44/30/27/914443027.db2.gz KLNXYGBGMYDTBJ-UHFFFAOYSA-N -1 0 380.857 3.698 50 0 GHAARM COc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1NC(=O)C1CCCCC1 ZINC000663074165 930491305 /nfs/dbraw/zinc/49/13/05/930491305.db2.gz KAAFASCPIGHMQQ-UHFFFAOYSA-N -1 0 386.448 3.574 50 0 GHAARM COc1cc(NC(=O)COc2ccc3ccccc3c2)c(C(=O)[O-])cc1OC ZINC000001175392 203893447 /nfs/dbraw/zinc/89/34/47/203893447.db2.gz QDVZFORVFHYTQC-UHFFFAOYSA-N -1 0 381.384 3.573 50 0 GHAARM O=C(NCC1CC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001032807 203875754 /nfs/dbraw/zinc/87/57/54/203875754.db2.gz PESLFLRBJMANIW-UHFFFAOYSA-N -1 0 398.406 3.646 50 0 GHAARM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000002472014 203946229 /nfs/dbraw/zinc/94/62/29/203946229.db2.gz VVYZFZBLRANLGY-UHFFFAOYSA-N -1 0 390.515 3.753 50 0 GHAARM Cc1nc2ccc(Br)cc2c(C(=O)[O-])c1I ZINC000004344584 204040518 /nfs/dbraw/zinc/04/05/18/204040518.db2.gz CZVCSQRCKAJUPN-UHFFFAOYSA-N -1 0 391.990 3.609 50 0 GHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000004371787 204042070 /nfs/dbraw/zinc/04/20/70/204042070.db2.gz ZSFVBQGJOUMHKG-UHFFFAOYSA-N -1 0 391.470 3.887 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003886931 204020603 /nfs/dbraw/zinc/02/06/03/204020603.db2.gz NVHWFSUIZAQYPP-IXYLRAAXSA-N -1 0 391.533 3.758 50 0 GHAARM COc1ccc(-c2cn3cccnc3n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004033234 204023436 /nfs/dbraw/zinc/02/34/36/204023436.db2.gz RLVSPRHNELICEJ-UHFFFAOYSA-N -1 0 394.456 3.514 50 0 GHAARM COc1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000004785157 204075172 /nfs/dbraw/zinc/07/51/72/204075172.db2.gz AUGNVNKLZLTBNE-YVLHZVERSA-N -1 0 399.424 3.708 50 0 GHAARM COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c(C(=O)[O-])cc1OC ZINC000004826112 204079291 /nfs/dbraw/zinc/07/92/91/204079291.db2.gz ZOPWTPRZLWGGHO-LLVKDONJSA-N -1 0 393.823 3.770 50 0 GHAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000005128748 204114084 /nfs/dbraw/zinc/11/40/84/204114084.db2.gz XREMAOMGBNHUPF-UHFFFAOYSA-N -1 0 384.408 3.940 50 0 GHAARM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000005136601 204114262 /nfs/dbraw/zinc/11/42/62/204114262.db2.gz OXHZTGVUBDSXDY-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(Cl)cc21 ZINC000006779708 204204507 /nfs/dbraw/zinc/20/45/07/204204507.db2.gz FWDWKJWYPRPAGN-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1I ZINC000006315386 204174066 /nfs/dbraw/zinc/17/40/66/204174066.db2.gz LLYZLYUFCHCTET-UHFFFAOYSA-N -1 0 391.205 3.540 50 0 GHAARM CCOc1cc(NC(=O)c2ccccc2OC(F)F)c(C(=O)[O-])cc1OC ZINC000006588610 204186115 /nfs/dbraw/zinc/18/61/15/204186115.db2.gz LLYHJYPMMPFHJJ-UHFFFAOYSA-N -1 0 381.331 3.646 50 0 GHAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)c(F)c1F ZINC000007055686 204230840 /nfs/dbraw/zinc/23/08/40/204230840.db2.gz FQQJDGMPPTYGTJ-UHFFFAOYSA-N -1 0 385.363 3.946 50 0 GHAARM O=C([O-])C[C@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 ZINC000008391837 204275918 /nfs/dbraw/zinc/27/59/18/204275918.db2.gz PIDZXRXAOSMZRQ-GFCCVEGCSA-N -1 0 390.877 3.861 50 0 GHAARM Cc1cc(SC[C@H](NC(=O)c2ccccc2)C(=O)[O-])c2cc(F)ccc2n1 ZINC000009422277 204311124 /nfs/dbraw/zinc/31/11/24/204311124.db2.gz SPBXHVWHNHIBAB-KRWDZBQOSA-N -1 0 384.432 3.658 50 0 GHAARM O=C(CSC1=NC(=O)C(c2ccccc2)C([O-])=N1)Nc1cccc(Cl)c1 ZINC000010059021 204330342 /nfs/dbraw/zinc/33/03/42/204330342.db2.gz SFIREYFTYUCUHS-UHFFFAOYSA-N -1 0 387.848 3.527 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2c(C)cccc2C)[n-]c2ccccc2c1=O ZINC000015731479 204573820 /nfs/dbraw/zinc/57/38/20/204573820.db2.gz JUPAGZVNIVYCSZ-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000034927204 204981862 /nfs/dbraw/zinc/98/18/62/204981862.db2.gz YMNILFAUXNGGFI-UHFFFAOYSA-N -1 0 389.820 3.721 50 0 GHAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)C1CCC1 ZINC000035482706 204992212 /nfs/dbraw/zinc/99/22/12/204992212.db2.gz ZCWNWALETONITB-UHFFFAOYSA-N -1 0 397.450 3.589 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)c1 ZINC000046914592 205108870 /nfs/dbraw/zinc/10/88/70/205108870.db2.gz ASKXVQFMKZXPKV-UHFFFAOYSA-N -1 0 398.419 3.980 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1C(=O)[O-] ZINC000047212140 205109552 /nfs/dbraw/zinc/10/95/52/205109552.db2.gz FFDSUSHWHSPSJH-UHFFFAOYSA-N -1 0 384.413 3.681 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920330 205201113 /nfs/dbraw/zinc/20/11/13/205201113.db2.gz ZWEQTORCEQSKBN-UHFFFAOYSA-N -1 0 391.474 3.793 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccnn3C)cs2)cc1Cl ZINC000065112368 205210789 /nfs/dbraw/zinc/21/07/89/205210789.db2.gz RGROBALCPYTEQJ-UHFFFAOYSA-N -1 0 383.882 3.611 50 0 GHAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071714892 205286869 /nfs/dbraw/zinc/28/68/69/205286869.db2.gz YFQQYNQXQZIBDG-SFHVURJKSA-N -1 0 393.462 3.790 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccccc2Br)c(C)c1C(=O)[O-] ZINC000089626549 205407362 /nfs/dbraw/zinc/40/73/62/205407362.db2.gz CJEKCCRQPVFNIK-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1nc(CSc2ccc(C(=O)N[C@@H](CC(=O)[O-])C3CC3)cc2)cs1 ZINC000095970306 205511775 /nfs/dbraw/zinc/51/17/75/205511775.db2.gz OYTVFVXTRRPFNW-INIZCTEOSA-N -1 0 376.503 3.727 50 0 GHAARM O=C([O-])c1ccccc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000004361107 205745614 /nfs/dbraw/zinc/74/56/14/205745614.db2.gz OZOBVNMVELDCKK-UHFFFAOYSA-N -1 0 392.392 3.867 50 0 GHAARM CN(C)c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000225849414 206081243 /nfs/dbraw/zinc/08/12/43/206081243.db2.gz NMTPUCFPTXFREZ-LJQANCHMSA-N -1 0 399.878 3.949 50 0 GHAARM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000031669213 206087599 /nfs/dbraw/zinc/08/75/99/206087599.db2.gz CUBBECAECGHEEA-UHFFFAOYSA-N -1 0 397.294 3.844 50 0 GHAARM CSCC[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)[O-] ZINC000252522934 206142396 /nfs/dbraw/zinc/14/23/96/206142396.db2.gz BLDOCOIWWJXRLH-QGZVFWFLSA-N -1 0 382.485 3.626 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)[O-] ZINC000001176389 220481561 /nfs/dbraw/zinc/48/15/61/220481561.db2.gz RCBAVIICQDQUSE-NWDGAFQWSA-N -1 0 385.869 3.714 50 0 GHAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000004826130 220770495 /nfs/dbraw/zinc/77/04/95/220770495.db2.gz FERZXNOBRKDQGG-JTQLQIEISA-N -1 0 384.215 3.863 50 0 GHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000005330059 536562692 /nfs/dbraw/zinc/56/26/92/536562692.db2.gz PMYKFVGCALCPLT-UHFFFAOYSA-N -1 0 388.489 3.630 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sc3c(c21)CCC3 ZINC000000784788 570223191 /nfs/dbraw/zinc/22/31/91/570223191.db2.gz DECNUKQVWZSGPK-HNNXBMFYSA-N -1 0 378.457 3.769 50 0 GHAARM CCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000002422557 570286571 /nfs/dbraw/zinc/28/65/71/570286571.db2.gz LKOCBHSQIAZKIS-UHFFFAOYSA-N -1 0 386.477 3.651 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCCC1)c1ccccc1 ZINC000001650344 570326420 /nfs/dbraw/zinc/32/64/20/570326420.db2.gz NLYBSDNKLFTAMV-UHFFFAOYSA-N -1 0 382.489 3.811 50 0 GHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)c1 ZINC000034764940 570333116 /nfs/dbraw/zinc/33/31/16/570333116.db2.gz PFAOPYMFLGWSLW-HNNXBMFYSA-N -1 0 398.507 3.803 50 0 GHAARM Cc1ccc(-c2cnc(CCC(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])o2)cc1 ZINC000237735084 570404511 /nfs/dbraw/zinc/40/45/11/570404511.db2.gz KZTDAFPMFVHELT-LJQANCHMSA-N -1 0 390.439 3.621 50 0 GHAARM O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F ZINC000521394234 570417839 /nfs/dbraw/zinc/41/78/39/570417839.db2.gz HLWYGQIIVSTAGK-LBPRGKRZSA-N -1 0 375.371 3.881 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000238067238 570422923 /nfs/dbraw/zinc/42/29/23/570422923.db2.gz VFVLPWUOCKBMEW-SJORKVTESA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1 ZINC000252457634 570448767 /nfs/dbraw/zinc/44/87/67/570448767.db2.gz YBVKCWREUJFYOU-UHFFFAOYSA-N -1 0 396.406 3.759 50 0 GHAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000004026691 570453886 /nfs/dbraw/zinc/45/38/86/570453886.db2.gz XIHYJJKWAFKLFY-UHFFFAOYSA-N -1 0 382.368 3.523 50 0 biogenic GHAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000012411435 570656033 /nfs/dbraw/zinc/65/60/33/570656033.db2.gz ZRPZUBTZDPFYSY-NVNXTCNLSA-N -1 0 390.798 3.637 50 0 GHAARM Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)[O-])n2Cc2ccccc2)cc1 ZINC000000916892 570725506 /nfs/dbraw/zinc/72/55/06/570725506.db2.gz SCNQRLOULDHKJZ-HNNXBMFYSA-N -1 0 383.473 3.779 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CCCC1 ZINC000013469073 570755495 /nfs/dbraw/zinc/75/54/95/570755495.db2.gz QLFJTVUJUHZSOM-UHFFFAOYSA-N -1 0 381.354 3.865 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101260500 570817468 /nfs/dbraw/zinc/81/74/68/570817468.db2.gz AVCPPPGGYBEPEZ-JKSUJKDBSA-N -1 0 388.349 3.766 50 0 GHAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000101299780 570818604 /nfs/dbraw/zinc/81/86/04/570818604.db2.gz TZLGMUVPUDBUIN-LJQANCHMSA-N -1 0 388.427 3.736 50 0 GHAARM Cc1sc(NC(=O)CC2(C(=O)[O-])CCCC2)c(C(N)=O)c1-c1ccccc1 ZINC000032808981 570823040 /nfs/dbraw/zinc/82/30/40/570823040.db2.gz AYWJBGPUSYHVEY-UHFFFAOYSA-N -1 0 386.473 3.796 50 0 GHAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4F)cnn32)cc1 ZINC000101836399 570837190 /nfs/dbraw/zinc/83/71/90/570837190.db2.gz GMNBYOTUQPOEQF-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000101836334 570837209 /nfs/dbraw/zinc/83/72/09/570837209.db2.gz LVECFUFWEINQAZ-KRWDZBQOSA-N -1 0 394.818 3.772 50 0 GHAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253486 570861480 /nfs/dbraw/zinc/86/14/80/570861480.db2.gz HMAKGTZYHITXFW-UHFFFAOYSA-N -1 0 394.468 3.951 50 0 GHAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(F)c4)cnn32)cc1 ZINC000102810827 570865303 /nfs/dbraw/zinc/86/53/03/570865303.db2.gz HGFHVNKAJIARSW-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM O=C(Nc1ccc(OCc2ccccc2)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103445604 570884890 /nfs/dbraw/zinc/88/48/90/570884890.db2.gz JRFSJCQKQFCANB-HXUWFJFHSA-N -1 0 386.407 3.509 50 0 GHAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000004570465 570895882 /nfs/dbraw/zinc/89/58/82/570895882.db2.gz NKYJGVXZQYFJBI-UHFFFAOYSA-N -1 0 386.473 3.992 50 0 GHAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1c(C)cccc1C ZINC000015990037 570910823 /nfs/dbraw/zinc/91/08/23/570910823.db2.gz KGSXLCFPFUHMLB-UHFFFAOYSA-N -1 0 395.484 3.594 50 0 GHAARM COc1cc(/C=C2/SC(=O)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000016915241 570917291 /nfs/dbraw/zinc/91/72/91/570917291.db2.gz ZGESBQOIFVNLON-LICLKQGHSA-N -1 0 399.424 3.708 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017079676 570940473 /nfs/dbraw/zinc/94/04/73/570940473.db2.gz CITKQRQYGPMERI-GJZGRUSLSA-N -1 0 390.505 3.643 50 0 GHAARM CCc1c(C)sc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1C(=O)OC ZINC000017080188 570940779 /nfs/dbraw/zinc/94/07/79/570940779.db2.gz NYQZCBREECFENV-UHFFFAOYSA-N -1 0 392.502 3.842 50 0 GHAARM O=C([O-])CCN(C(=O)c1cnc(-c2ccccc2Cl)s1)C1CCOCC1 ZINC000238079871 570945097 /nfs/dbraw/zinc/94/50/97/570945097.db2.gz XMKJPYHTMVDIBH-UHFFFAOYSA-N -1 0 394.880 3.559 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000238103927 570945803 /nfs/dbraw/zinc/94/58/03/570945803.db2.gz GWQNNIAUDUILCA-INIZCTEOSA-N -1 0 379.865 3.686 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)C2)cc1 ZINC000095374132 571063186 /nfs/dbraw/zinc/06/31/86/571063186.db2.gz YQNMEUGCPXZEFZ-MRXNPFEDSA-N -1 0 391.427 3.500 50 0 GHAARM Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3Cl)[nH]n2)s1 ZINC000095518035 571085221 /nfs/dbraw/zinc/08/52/21/571085221.db2.gz NXLADQNYUJDPRX-HNNXBMFYSA-N -1 0 375.837 3.656 50 0 GHAARM Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1Br ZINC000013345800 601317509 /nfs/dbraw/zinc/31/75/09/601317509.db2.gz DZXNPQODSJHSIQ-RUDMXATFSA-N -1 0 396.262 3.656 50 0 GHAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1ccccc1C(F)(F)F ZINC000116601649 834878232 /nfs/dbraw/zinc/87/82/32/834878232.db2.gz UOFGYNKXFSYSDB-UHFFFAOYSA-N -1 0 385.411 3.892 50 0 GHAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(CC4CCCC4)o3)cc(Cl)c2O1 ZINC000194899435 836327454 /nfs/dbraw/zinc/32/74/54/836327454.db2.gz IEZXQNMJNOCVAF-SNVBAGLBSA-N -1 0 397.884 3.580 50 0 GHAARM O=C([O-])c1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)ccc1Cl ZINC000002750382 861576519 /nfs/dbraw/zinc/57/65/19/861576519.db2.gz DTERUPCHDZFSAK-UHFFFAOYSA-N -1 0 399.724 3.591 50 0 GHAARM CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000057785016 862243863 /nfs/dbraw/zinc/24/38/63/862243863.db2.gz CEQKAUAAOFRYSL-UHFFFAOYSA-N -1 0 376.503 3.750 50 0 GHAARM O=C([O-])C1(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCCCC1 ZINC000095349571 860554116 /nfs/dbraw/zinc/55/41/16/860554116.db2.gz VJJXSJNOILVMGF-UHFFFAOYSA-N -1 0 376.840 3.831 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N(C)[C@H](CCc3ccccc3)C(F)F)cc2=O)cc1 ZINC000629754638 900900417 /nfs/dbraw/zinc/90/04/17/900900417.db2.gz YQPYSMJXITYTCI-LJQANCHMSA-N -1 0 399.441 3.813 50 0 GHAARM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(C(=O)[O-])cc1 ZINC000254576761 916827586 /nfs/dbraw/zinc/82/75/86/916827586.db2.gz BJCVLCPSLJVCNX-UHFFFAOYSA-N -1 0 389.459 3.925 50 0 GHAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000659233515 930489679 /nfs/dbraw/zinc/48/96/79/930489679.db2.gz YEGBJPNRLDWHGF-ZENOOKHLSA-N -1 0 380.282 3.834 50 0 GHAARM COC(=O)c1ccc(/C=C(\SCC(=O)[O-])c2nc3ccccc3s2)o1 ZINC000096188179 203832180 /nfs/dbraw/zinc/83/21/80/203832180.db2.gz FGKTUIIRFCHUHT-ZSOIEALJSA-N -1 0 375.427 3.992 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@@H]2c2cccs2)cc1 ZINC000001440086 203909558 /nfs/dbraw/zinc/90/95/58/203909558.db2.gz YUIOJGBMSLFMRL-SFHVURJKSA-N -1 0 399.497 3.517 50 0 GHAARM CCCCCc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)OCC)cs2)cc1 ZINC000004297056 204036569 /nfs/dbraw/zinc/03/65/69/204036569.db2.gz JJZSTZCXNFIHGY-UHFFFAOYSA-N -1 0 396.534 3.782 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000004001683 204022973 /nfs/dbraw/zinc/02/29/73/204022973.db2.gz HPEUOEUBBSABSY-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM CCOC(=O)c1ccc(N2C(=O)c3cccc4c(C(=O)[O-])ccc(c43)C2=O)cc1 ZINC000004851901 204082282 /nfs/dbraw/zinc/08/22/82/204082282.db2.gz HKWLTKVQSQHYHO-UHFFFAOYSA-N -1 0 389.363 3.515 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 ZINC000004863197 204083472 /nfs/dbraw/zinc/08/34/72/204083472.db2.gz BKYZHVABKWQOFK-CQSZACIVSA-N -1 0 391.221 3.585 50 0 GHAARM O=C([O-])CC1=C2CN(C1=O)[C@H](c1ccccc1)c1cc(Br)ccc1N2 ZINC000004561173 204052997 /nfs/dbraw/zinc/05/29/97/204052997.db2.gz VWTZSNCNIJWNTG-GOSISDBHSA-N -1 0 399.244 3.535 50 0 GHAARM CCc1cccc2c(CCN3C(=O)c4ccc(C(=O)[O-])cc4C3=O)c(C)[nH]c21 ZINC000004686057 204064042 /nfs/dbraw/zinc/06/40/42/204064042.db2.gz SRVUHMYLEMFFGZ-UHFFFAOYSA-N -1 0 376.412 3.576 50 0 GHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)nn1 ZINC000005204284 204119120 /nfs/dbraw/zinc/11/91/20/204119120.db2.gz ASGBXDIMUAJYIO-UHFFFAOYSA-N -1 0 391.399 3.621 50 0 GHAARM CSCC[C@H](NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)[O-] ZINC000006759553 204201566 /nfs/dbraw/zinc/20/15/66/204201566.db2.gz GTVDYUJJBBUOKB-ACJLOTCBSA-N -1 0 375.465 3.919 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000007814190 204253030 /nfs/dbraw/zinc/25/30/30/204253030.db2.gz JKWNPMPKZDTPKB-OAHLLOKOSA-N -1 0 386.473 3.791 50 0 GHAARM COc1cc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000035549292 204255632 /nfs/dbraw/zinc/25/56/32/204255632.db2.gz AUGNVNKLZLTBNE-LICLKQGHSA-N -1 0 399.424 3.708 50 0 GHAARM CCN1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)c3cccc(c23)C1=O ZINC000008715840 204285805 /nfs/dbraw/zinc/28/58/05/204285805.db2.gz UKQMPBWBMPBNEO-UHFFFAOYSA-N -1 0 396.468 3.938 50 0 GHAARM O=C([O-])c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)OCCCO2 ZINC000008191119 204265790 /nfs/dbraw/zinc/26/57/90/204265790.db2.gz OCRVXAFDSBAOBI-UHFFFAOYSA-N -1 0 381.306 3.817 50 0 GHAARM CN(C(=O)c1ccccc1C(=O)[O-])c1ccccc1C(=O)NC1CCCCC1 ZINC000008375232 204274405 /nfs/dbraw/zinc/27/44/05/204274405.db2.gz HQYGFUUZGQNWQF-UHFFFAOYSA-N -1 0 380.444 3.724 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104915 204305806 /nfs/dbraw/zinc/30/58/06/204305806.db2.gz DNIVMLGDZJVAFY-CPUCHLNUSA-N -1 0 386.521 3.566 50 0 GHAARM O=C([O-])c1cccc(Oc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000009426714 204311769 /nfs/dbraw/zinc/31/17/69/204311769.db2.gz HAXOBBUDFZGEIL-UHFFFAOYSA-N -1 0 375.446 3.788 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000009646368 204318022 /nfs/dbraw/zinc/31/80/22/204318022.db2.gz NUJBZBCHTSYCPZ-UHFFFAOYSA-N -1 0 391.470 3.887 50 0 GHAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012321698 204397772 /nfs/dbraw/zinc/39/77/72/204397772.db2.gz GWRXPQMGSWZCTR-UHFFFAOYSA-N -1 0 394.481 3.508 50 0 GHAARM COc1ccc(-c2nnc(SCc3cccc(F)c3F)n2CC(=O)[O-])cc1 ZINC000012978181 204473189 /nfs/dbraw/zinc/47/31/89/204473189.db2.gz HXYJHIBZDNCNBG-UHFFFAOYSA-N -1 0 391.399 3.609 50 0 GHAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)C1 ZINC000036354772 205014085 /nfs/dbraw/zinc/01/40/85/205014085.db2.gz HJHSRYXIJHHMET-LJQANCHMSA-N -1 0 392.455 3.544 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)cs2)cc1 ZINC000049544905 205128506 /nfs/dbraw/zinc/12/85/06/205128506.db2.gz LBVAXKJFOSTEBL-UHFFFAOYSA-N -1 0 391.474 3.779 50 0 GHAARM COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000299749690 205102807 /nfs/dbraw/zinc/10/28/07/205102807.db2.gz LIRHEEIBZKTAGH-LJQANCHMSA-N -1 0 383.444 3.698 50 0 GHAARM CCOc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCC4)cc1 ZINC000065150370 205213000 /nfs/dbraw/zinc/21/30/00/205213000.db2.gz BOMJXVXQRXLIAZ-UHFFFAOYSA-N -1 0 384.457 3.825 50 0 GHAARM CCc1ccccc1NC(=O)c1c([O-])c2cnn(-c3cccc(C)c3)c2[nH]c1=O ZINC000065250027 205222014 /nfs/dbraw/zinc/22/20/14/205222014.db2.gz PEVUDCNVFVIPBE-UHFFFAOYSA-N -1 0 388.427 3.543 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(NC(=O)C2CCC2)c(Cl)c1 ZINC000071287731 205280677 /nfs/dbraw/zinc/28/06/77/205280677.db2.gz HGVIQNWAMNERHC-UHFFFAOYSA-N -1 0 386.835 3.958 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)ccc1Br ZINC000072414250 205347008 /nfs/dbraw/zinc/34/70/08/205347008.db2.gz KPRKVRJQAIIMSB-UHFFFAOYSA-N -1 0 393.262 3.807 50 0 GHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000089632051 205407051 /nfs/dbraw/zinc/40/70/51/205407051.db2.gz SQUNRZHIXCPCAD-IBGZPJMESA-N -1 0 396.443 3.555 50 0 GHAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139306493 205697622 /nfs/dbraw/zinc/69/76/22/205697622.db2.gz JPJDIEZTYNTUBF-SFTDATJTSA-N -1 0 392.455 3.673 50 0 GHAARM Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CCOCC3)cc2)c1 ZINC000225487209 206052237 /nfs/dbraw/zinc/05/22/37/206052237.db2.gz IGPHJQPTUJTZBW-LJQANCHMSA-N -1 0 384.432 3.789 50 0 GHAARM COc1cccc(-c2c[nH]nc2C2CCN(c3ccc(C(=O)[O-])cn3)CC2)c1 ZINC000067673792 537061962 /nfs/dbraw/zinc/06/19/62/537061962.db2.gz GDMZOKHQNYFJKD-UHFFFAOYSA-N -1 0 378.432 3.563 50 0 GHAARM CCc1ccc(NC(=O)CSc2[n-]c3ccccc3c(=O)c2C(=O)OC)cc1 ZINC000015731492 570223189 /nfs/dbraw/zinc/22/31/89/570223189.db2.gz GNDBEEQJRIJDDP-UHFFFAOYSA-N -1 0 396.468 3.608 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000022626117 570223321 /nfs/dbraw/zinc/22/33/21/570223321.db2.gz PWIDUHAKVSKNCP-BONVTDFDSA-N -1 0 378.448 3.904 50 0 GHAARM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000000837293 570226207 /nfs/dbraw/zinc/22/62/07/570226207.db2.gz UYPTYJAEMYKRKR-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM O=C([O-])[C@H]1CS[C@@H](c2c(Cl)n(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000940103 570230245 /nfs/dbraw/zinc/23/02/45/570230245.db2.gz ONWWAQHJGGGUDX-KDOFPFPSSA-N -1 0 385.876 3.981 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c1C ZINC000000946957 570231083 /nfs/dbraw/zinc/23/10/83/570231083.db2.gz ANWGULOHUYIQAE-UHFFFAOYSA-N -1 0 399.472 3.664 50 0 GHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCc3ccccc3C)cc2)n1 ZINC000001033793 570236270 /nfs/dbraw/zinc/23/62/70/570236270.db2.gz YEUGJDPRUKBRDK-UHFFFAOYSA-N -1 0 382.489 3.815 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)cc1 ZINC000001051140 570238675 /nfs/dbraw/zinc/23/86/75/570238675.db2.gz IPSUJDMNECIRFH-UHFFFAOYSA-N -1 0 378.881 3.685 50 0 GHAARM Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000020717473 570275783 /nfs/dbraw/zinc/27/57/83/570275783.db2.gz WMIYSXGRUYDXNJ-INIZCTEOSA-N -1 0 384.432 3.683 50 0 GHAARM CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000020726433 570276921 /nfs/dbraw/zinc/27/69/21/570276921.db2.gz PBDDKNFDOIVISH-INIZCTEOSA-N -1 0 392.546 3.799 50 0 GHAARM S=c1[n-]nc(Cc2ccc(Cl)cc2)n1-c1ccc(Cn2cncn2)cc1 ZINC000020738967 570278376 /nfs/dbraw/zinc/27/83/76/570278376.db2.gz CYZILQDUKBIABI-UHFFFAOYSA-N -1 0 382.880 3.814 50 0 GHAARM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000022216024 570307776 /nfs/dbraw/zinc/30/77/76/570307776.db2.gz PTSRWGRSFBJELM-BOPFTXTBSA-N -1 0 399.424 3.790 50 0 GHAARM Cc1nc(COc2cccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2)cs1 ZINC000237762191 570395383 /nfs/dbraw/zinc/39/53/83/570395383.db2.gz MOAOYRJNANZJLN-HNNXBMFYSA-N -1 0 388.489 3.748 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000033007217 570399360 /nfs/dbraw/zinc/39/93/60/570399360.db2.gz OJYGFNFJYYRYGE-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM CO[C@@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000400223781 570419099 /nfs/dbraw/zinc/41/90/99/570419099.db2.gz ORNJJNYXYQHEIC-SFTDATJTSA-N -1 0 395.455 3.793 50 0 GHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1 ZINC000001795975 570425446 /nfs/dbraw/zinc/42/54/46/570425446.db2.gz CWHVHARZUAFEQD-UHFFFAOYSA-N -1 0 377.462 3.711 50 0 biogenic GHAARM COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1N1CCCC1=O ZINC000005329670 570554838 /nfs/dbraw/zinc/55/48/38/570554838.db2.gz CRYMEUPCNMOULO-UHFFFAOYSA-N -1 0 396.468 3.776 50 0 GHAARM O=C([O-])Cc1csc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n1 ZINC000012920785 570728563 /nfs/dbraw/zinc/72/85/63/570728563.db2.gz LDJAMDNUNRPDTF-INIZCTEOSA-N -1 0 376.503 3.616 50 0 GHAARM O=C([O-])c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl ZINC000004844950 570730654 /nfs/dbraw/zinc/73/06/54/570730654.db2.gz VPQLHFWULQZRNE-UHFFFAOYSA-N -1 0 399.255 3.584 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Br)cc2)c1=O ZINC000065215440 570733973 /nfs/dbraw/zinc/73/39/73/570733973.db2.gz UQIQOYFLVSELDI-UHFFFAOYSA-N -1 0 393.262 3.803 50 0 GHAARM CC[C@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000013681746 570773476 /nfs/dbraw/zinc/77/34/76/570773476.db2.gz BOBGXNFJZLYCIE-LRDDRELGSA-N -1 0 375.494 3.685 50 0 GHAARM Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)cc1 ZINC000032765614 570803041 /nfs/dbraw/zinc/80/30/41/570803041.db2.gz MHDNYQQKFPXSDD-UHFFFAOYSA-N -1 0 386.429 3.625 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccccc1Cl ZINC000170091728 570805229 /nfs/dbraw/zinc/80/52/29/570805229.db2.gz BDQVINFHMRLKGC-INIZCTEOSA-N -1 0 375.787 3.778 50 0 GHAARM CC[C@H](C)NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000032778454 570811287 /nfs/dbraw/zinc/81/12/87/570811287.db2.gz CRTDASHQZLHLFF-LURJTMIESA-N -1 0 393.321 3.619 50 0 GHAARM COc1cc(Cl)ccc1-n1cc(C(=O)c2ccccc2[O-])cc(C(C)=O)c1=O ZINC000014138374 570824853 /nfs/dbraw/zinc/82/48/53/570824853.db2.gz WZCLAWVDLCXXIF-UHFFFAOYSA-N -1 0 397.814 3.639 50 0 GHAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000101512306 570826041 /nfs/dbraw/zinc/82/60/41/570826041.db2.gz VPKWQIDMOLUAFY-UHFFFAOYSA-N -1 0 394.481 3.872 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012541946 570842406 /nfs/dbraw/zinc/84/24/06/570842406.db2.gz NXPANUCXOYORTM-UHFFFAOYSA-N -1 0 379.431 3.650 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000014632450 570853302 /nfs/dbraw/zinc/85/33/02/570853302.db2.gz KPXBGHADVWKHSS-ONGXEEELSA-N -1 0 376.236 3.835 50 0 GHAARM CSc1ccc([C@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102679659 570858124 /nfs/dbraw/zinc/85/81/24/570858124.db2.gz IZQYVOJOYIQHLL-CQSZACIVSA-N -1 0 388.452 3.623 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(C)CC1 ZINC000033253892 570861825 /nfs/dbraw/zinc/86/18/25/570861825.db2.gz AVBPDBVEKAKOTC-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000012605469 570888571 /nfs/dbraw/zinc/88/85/71/570888571.db2.gz NINKGMTUTKZKJZ-HNNXBMFYSA-N -1 0 388.489 3.511 50 0 GHAARM CC[C@H](C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000022416156 570890045 /nfs/dbraw/zinc/89/00/45/570890045.db2.gz JWJZDXAWKMAYOF-LBPRGKRZSA-N -1 0 380.441 3.620 50 0 GHAARM O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1nccs1 ZINC000023138256 570916558 /nfs/dbraw/zinc/91/65/58/570916558.db2.gz PHQASPVREXVAJX-UHFFFAOYSA-N -1 0 392.893 3.766 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017077593 570939458 /nfs/dbraw/zinc/93/94/58/570939458.db2.gz RQJJTONXJMPSKV-UONOGXRCSA-N -1 0 379.478 3.927 50 0 GHAARM O=C([O-])c1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000097658109 570943159 /nfs/dbraw/zinc/94/31/59/570943159.db2.gz HAICMYLWDHNVBL-UHFFFAOYSA-N -1 0 380.425 3.880 50 0 GHAARM CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)c2ccccc2c1[O-] ZINC000002505886 570947975 /nfs/dbraw/zinc/94/79/75/570947975.db2.gz FWAKIMOWBOTUJM-UHFFFAOYSA-N -1 0 398.484 3.876 50 0 GHAARM O=S(=O)(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1 ZINC000211090874 570969197 /nfs/dbraw/zinc/96/91/97/570969197.db2.gz DBZYTTVAHUTVIT-GOSISDBHSA-N -1 0 395.452 3.587 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2nnc(C3(c4ccccc4)CC3)s2)ccc1F ZINC000252490120 570970660 /nfs/dbraw/zinc/97/06/60/570970660.db2.gz KJQFSPFQBDRUAN-UHFFFAOYSA-N -1 0 389.477 3.866 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(NC(C)(C)C)cc1OC ZINC000084739246 570972706 /nfs/dbraw/zinc/97/27/06/570972706.db2.gz JSUWAIOZKBYWCJ-UHFFFAOYSA-N -1 0 398.506 3.555 50 0 GHAARM O=C([O-])[C@H](c1ccc(C2CCCC2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000095372287 571061958 /nfs/dbraw/zinc/06/19/58/571061958.db2.gz VPSOWSAOVQGIQH-QFIPXVFZSA-N -1 0 379.504 3.683 50 0 GHAARM Cc1nc(-c2ccc(CN3CCOC[C@@H]3c3ccc(F)cc3)cc2)[n-]c(=O)c1F ZINC000023478683 837274761 /nfs/dbraw/zinc/27/47/61/837274761.db2.gz FDAWYCDVCYMJBG-LJQANCHMSA-N -1 0 397.425 3.597 50 0 GHAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccc(Cl)c1Cl ZINC000002631483 861446315 /nfs/dbraw/zinc/44/63/15/861446315.db2.gz SJQRXDXFPNPHLR-UHFFFAOYSA-N -1 0 387.288 3.631 50 0 GHAARM O=c1c2ccc([O-])c(COCCO)c2oc(C(F)(F)F)c1-c1ccc(F)cc1 ZINC000057312216 861957662 /nfs/dbraw/zinc/95/76/62/861957662.db2.gz OTEDWYRTANFYAU-UHFFFAOYSA-N -1 0 398.308 3.832 50 0 GHAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002971415 862078029 /nfs/dbraw/zinc/07/80/29/862078029.db2.gz RNPPIJOYDIDENJ-UHFFFAOYSA-N -1 0 387.892 3.809 50 0 GHAARM O=C(Nc1cccc(Br)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000002284724 854818487 /nfs/dbraw/zinc/81/84/87/854818487.db2.gz ISUVHDFIUBRJGC-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM CC(C)C[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000004085141 862767526 /nfs/dbraw/zinc/76/75/26/862767526.db2.gz SUVODTLFEXLARO-SFHVURJKSA-N -1 0 379.412 3.689 50 0 biogenic GHAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(F)c1F ZINC000040267580 856717977 /nfs/dbraw/zinc/71/79/77/856717977.db2.gz UMQWGLAXMOIUQS-SFHVURJKSA-N -1 0 398.369 3.566 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 ZINC000009109060 856791919 /nfs/dbraw/zinc/79/19/19/856791919.db2.gz ZOJGAONMHCOBTQ-UHFFFAOYSA-N -1 0 396.472 3.722 50 0 GHAARM O=C([O-])[C@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)C[C@@H]1c1ccc(F)cc1F ZINC000367782727 858813338 /nfs/dbraw/zinc/81/33/38/858813338.db2.gz ULPAJYIPQSIKJL-MSOLQXFVSA-N -1 0 398.409 3.706 50 0 GHAARM CCOc1ccc(/C=C\C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000606443477 859836206 /nfs/dbraw/zinc/83/62/06/859836206.db2.gz YGMMYCVATWPKGH-FLIBITNWSA-N -1 0 389.398 3.880 50 0 GHAARM COc1cccc(OC)c1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCC(=O)[O-] ZINC000328599250 860185491 /nfs/dbraw/zinc/18/54/91/860185491.db2.gz QWRABKIVOGLTJV-KRWDZBQOSA-N -1 0 396.443 3.555 50 0 GHAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2C)o1 ZINC000096379413 860907098 /nfs/dbraw/zinc/90/70/98/860907098.db2.gz BZOSZGOMSZXHRE-UHFFFAOYSA-N -1 0 384.820 3.583 50 0 GHAARM N=c1scc(-c2ccc(Oc3ccccc3)cc2)n1CCCS(=O)(=O)[O-] ZINC000334157859 860997190 /nfs/dbraw/zinc/99/71/90/860997190.db2.gz NLAZYDOCGVPKFJ-UHFFFAOYSA-N -1 0 390.486 3.766 50 0 GHAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000238103776 878748184 /nfs/dbraw/zinc/74/81/84/878748184.db2.gz NOBQTXMVDFVQKK-WVEJUQGRSA-N -1 0 383.419 3.509 50 0 GHAARM Cc1ccc(-c2nc(NC(=O)C3(CC(=O)[O-])CCOCC3)sc2C)s1 ZINC000656852899 930488529 /nfs/dbraw/zinc/48/85/29/930488529.db2.gz SYRROQFWSSXBJP-UHFFFAOYSA-N -1 0 380.491 3.698 50 0 GHAARM COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(OC)c1 ZINC000096759361 203834162 /nfs/dbraw/zinc/83/41/62/203834162.db2.gz QBAIAUKLYKSHLP-VIZOYTHASA-N -1 0 386.791 3.788 50 0 GHAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccccc1)c2=O ZINC000001411407 203907432 /nfs/dbraw/zinc/90/74/32/203907432.db2.gz ZRJNMDXRJSUJDE-UHFFFAOYSA-N -1 0 384.439 3.513 50 0 GHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)[O-])c2C(=O)OC)C1 ZINC000002086124 203925926 /nfs/dbraw/zinc/92/59/26/203925926.db2.gz UFCUVRGIXPGMDF-ANYFNZRUSA-N -1 0 379.478 3.655 50 0 GHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000004311282 204038149 /nfs/dbraw/zinc/03/81/49/204038149.db2.gz DGNFUQZVLFPSBE-FPYGCLRLSA-N -1 0 386.864 3.683 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000004001665 204022904 /nfs/dbraw/zinc/02/29/04/204022904.db2.gz ZCIFKKARBSWMQA-UHFFFAOYSA-N -1 0 391.493 3.545 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ncc(Cl)cc2C(F)(F)F)cc1 ZINC000004110317 204027355 /nfs/dbraw/zinc/02/73/55/204027355.db2.gz QTVGQBMMNGTJLA-UHFFFAOYSA-N -1 0 393.774 3.573 50 0 GHAARM CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000004680069 204062935 /nfs/dbraw/zinc/06/29/35/204062935.db2.gz DJLUTUWHBHBNFC-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM O=c1nc(CSc2nnc(-c3cccs3)n2C2CC2)[n-]c2ccsc21 ZINC000005165960 204116230 /nfs/dbraw/zinc/11/62/30/204116230.db2.gz IFDYKDCMRHPBPP-UHFFFAOYSA-N -1 0 387.515 3.932 50 0 GHAARM COc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000004999485 204101100 /nfs/dbraw/zinc/10/11/00/204101100.db2.gz KSQYFKNKDXYDHD-AWEZNQCLSA-N -1 0 381.457 3.624 50 0 GHAARM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OCC)c1 ZINC000005464847 204134577 /nfs/dbraw/zinc/13/45/77/204134577.db2.gz SZGGGYVUXYFZGA-QUCCMNQESA-N -1 0 380.444 3.654 50 0 GHAARM Cc1cc(C(=O)C(F)(F)F)c(C)n1[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000006825550 204212609 /nfs/dbraw/zinc/21/26/09/204212609.db2.gz GRFCEVFADPCWID-ZDUSSCGKSA-N -1 0 383.322 3.643 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)cc1 ZINC000006373279 204176315 /nfs/dbraw/zinc/17/63/15/204176315.db2.gz JHRDUHLSBRMAAL-UHFFFAOYSA-N -1 0 379.844 3.833 50 0 GHAARM COc1ccc(C2N=NC(=S)N2c2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000006659491 204188778 /nfs/dbraw/zinc/18/87/78/204188778.db2.gz WWTIEJGZWNRGET-UHFFFAOYSA-N -1 0 391.836 3.592 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1C ZINC000007428367 204240815 /nfs/dbraw/zinc/24/08/15/204240815.db2.gz ISJRUEROPCLWRK-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000007428451 204241102 /nfs/dbraw/zinc/24/11/02/204241102.db2.gz ZWIQIFZHCAZUOR-UHFFFAOYSA-N -1 0 383.853 3.619 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000009646333 204318189 /nfs/dbraw/zinc/31/81/89/204318189.db2.gz GJPKXURROZUAON-UHFFFAOYSA-N -1 0 383.397 3.767 50 0 GHAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1ccccc1C(F)(F)F ZINC000009109520 204300491 /nfs/dbraw/zinc/30/04/91/204300491.db2.gz GFBIKUQWFGZZHW-UHFFFAOYSA-N -1 0 397.334 3.553 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000011865962 204359492 /nfs/dbraw/zinc/35/94/92/204359492.db2.gz GYJLUZTYXKBJCJ-KRWDZBQOSA-N -1 0 391.452 3.513 50 0 GHAARM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012752522 204442869 /nfs/dbraw/zinc/44/28/69/204442869.db2.gz BBLNWUPNPIBALF-RYUDHWBXSA-N -1 0 389.429 3.790 50 0 GHAARM CC[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080214 204606294 /nfs/dbraw/zinc/60/62/94/204606294.db2.gz QHZUPRCVGAWDOZ-NEPJUHHUSA-N -1 0 392.521 3.595 50 0 GHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000019880997 204689559 /nfs/dbraw/zinc/68/95/59/204689559.db2.gz RSFBXZYWCAYWBX-LBPRGKRZSA-N -1 0 397.239 3.511 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1C(=O)[O-] ZINC000071798576 205029975 /nfs/dbraw/zinc/02/99/75/205029975.db2.gz YMMSXYSVBNDFRJ-UHFFFAOYSA-N -1 0 382.869 3.522 50 0 GHAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)C1 ZINC000040288392 205061389 /nfs/dbraw/zinc/06/13/89/205061389.db2.gz FVBBRCOPZGPXHO-IBGZPJMESA-N -1 0 392.455 3.544 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000299743218 205097609 /nfs/dbraw/zinc/09/76/09/205097609.db2.gz KCFOUTRJVOKSKR-RCBQFDQVSA-N -1 0 380.282 3.656 50 0 GHAARM Cc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000058196703 205168461 /nfs/dbraw/zinc/16/84/61/205168461.db2.gz RUAVRSPATDTBLB-SFHVURJKSA-N -1 0 394.427 3.656 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc(OC)c1 ZINC000065003785 205206626 /nfs/dbraw/zinc/20/66/26/205206626.db2.gz UKZGPIPWWISPRS-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c(OC)c1 ZINC000064844929 205197937 /nfs/dbraw/zinc/19/79/37/205197937.db2.gz QQABEIVDQVHKOS-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1C ZINC000064863105 205198109 /nfs/dbraw/zinc/19/81/09/205198109.db2.gz PYPNRKOGLODUKK-UHFFFAOYSA-N -1 0 384.885 3.581 50 0 GHAARM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccccc1Cl ZINC000090607758 205273753 /nfs/dbraw/zinc/27/37/53/205273753.db2.gz XPQXARHEYDXZKY-UHFFFAOYSA-N -1 0 379.800 3.862 50 0 GHAARM CCOc1ccc(-c2ccnc(Cc3ccc(OC)c(OC)c3)n2)cc1C(=O)[O-] ZINC000071749910 205288586 /nfs/dbraw/zinc/28/85/86/205288586.db2.gz ONARTNZBZDIKOF-UHFFFAOYSA-N -1 0 394.427 3.849 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2nc(C)sc2C(C)C)sc1CC(C)C ZINC000072402208 205344462 /nfs/dbraw/zinc/34/44/62/205344462.db2.gz LVCBENMCQAYOHN-UHFFFAOYSA-N -1 0 381.523 3.691 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cc1Cl ZINC000078938784 205377862 /nfs/dbraw/zinc/37/78/62/205377862.db2.gz HSLXFTQAOAHSCR-UHFFFAOYSA-N -1 0 393.770 3.944 50 0 GHAARM Cc1cccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000079112277 205382076 /nfs/dbraw/zinc/38/20/76/205382076.db2.gz BGYPCITWIOPRKS-SFHVURJKSA-N -1 0 394.427 3.656 50 0 GHAARM CCn1ccnc1CN1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082157069 205390261 /nfs/dbraw/zinc/39/02/61/205390261.db2.gz QGDVFRUEGAYJCF-UHFFFAOYSA-N -1 0 379.460 3.554 50 0 GHAARM Cn1nc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc1-c1cccs1 ZINC000095390776 205455718 /nfs/dbraw/zinc/45/57/18/205455718.db2.gz QZEDWJRFCDWKBS-INIZCTEOSA-N -1 0 395.484 3.867 50 0 GHAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2)CC(=O)N3)c(OC)c1 ZINC000049543402 205670897 /nfs/dbraw/zinc/67/08/97/205670897.db2.gz ZSDCCHJXXUVBPA-HNNXBMFYSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237729241 205684341 /nfs/dbraw/zinc/68/43/41/205684341.db2.gz XZDOESVNYURKKN-CQSZACIVSA-N -1 0 375.856 3.551 50 0 GHAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000237641660 205684685 /nfs/dbraw/zinc/68/46/85/205684685.db2.gz VJMDRZMPQWGKEG-INIZCTEOSA-N -1 0 386.395 3.571 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000120233777 205685733 /nfs/dbraw/zinc/68/57/33/205685733.db2.gz OAZSYKPSAZQETG-MAUKXSAKSA-N -1 0 386.835 3.505 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000237966014 205687555 /nfs/dbraw/zinc/68/75/55/205687555.db2.gz MKYNMSFHNAOFHR-NSHDSACASA-N -1 0 379.254 3.647 50 0 GHAARM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cc(Cl)ccc1Br ZINC000225478177 206051872 /nfs/dbraw/zinc/05/18/72/206051872.db2.gz RUJSXSOERRWPAE-UHFFFAOYSA-N -1 0 386.658 3.780 50 0 GHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000008608303 221046461 /nfs/dbraw/zinc/04/64/61/221046461.db2.gz PDMTUNUGBZKHMK-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM Cc1oc(-c2ccccc2)nc1Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000012788409 221231976 /nfs/dbraw/zinc/23/19/76/221231976.db2.gz YRRWNESWFFWSNW-UHFFFAOYSA-N -1 0 381.413 3.545 50 0 GHAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(c3cnc4ccccc4n3)CC2)c1 ZINC000082121929 136173859 /nfs/dbraw/zinc/17/38/59/136173859.db2.gz LQVTVBJZMKITKX-UHFFFAOYSA-N -1 0 381.407 3.580 50 0 GHAARM CN1c2ccccc2C([O-])=C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O ZINC000100819877 136189331 /nfs/dbraw/zinc/18/93/31/136189331.db2.gz BQZLRWKSTNRVMB-UHFFFAOYSA-N -1 0 380.878 3.786 50 0 GHAARM O=C([O-])[C@@H]1CS[C@H](c2c(Cl)n(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000940106 570230322 /nfs/dbraw/zinc/23/03/22/570230322.db2.gz ONWWAQHJGGGUDX-KBXCAEBGSA-N -1 0 385.876 3.981 50 0 GHAARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1 ZINC000001010608 570235170 /nfs/dbraw/zinc/23/51/70/570235170.db2.gz FXDLPTVXBDPKOE-UHFFFAOYSA-N -1 0 392.411 3.566 50 0 GHAARM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1Cl ZINC000001067317 570240396 /nfs/dbraw/zinc/24/03/96/570240396.db2.gz MGKPAJNWYJFERE-UHFFFAOYSA-N -1 0 389.260 3.761 50 0 GHAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000001141981 570247794 /nfs/dbraw/zinc/24/77/94/570247794.db2.gz BWBFUCPMXHJMIZ-RBUKOAKNSA-N -1 0 392.455 3.782 50 0 GHAARM O=C(Nc1ccc(Cl)cc1Cl)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662944 570274346 /nfs/dbraw/zinc/27/43/46/570274346.db2.gz XDZZLNIMVDTCDZ-UHFFFAOYSA-N -1 0 375.211 3.822 50 0 GHAARM CC(C)(C)OC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002149703 570276442 /nfs/dbraw/zinc/27/64/42/570276442.db2.gz REITVGIIZHFVGU-LJQANCHMSA-N -1 0 383.444 3.793 50 0 GHAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000002239368 570280099 /nfs/dbraw/zinc/28/00/99/570280099.db2.gz CEXXBODPZONRKG-UHFFFAOYSA-N -1 0 394.452 3.982 50 0 GHAARM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2s1 ZINC000015870111 570281450 /nfs/dbraw/zinc/28/14/50/570281450.db2.gz HHIXDSXHGFRIQY-UHFFFAOYSA-N -1 0 387.895 3.770 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)s1 ZINC000119827570 570305062 /nfs/dbraw/zinc/30/50/62/570305062.db2.gz CWPPOSUOBPQKBC-UHFFFAOYSA-N -1 0 378.519 3.729 50 0 GHAARM O=C([O-])c1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 ZINC000016331387 570325708 /nfs/dbraw/zinc/32/57/08/570325708.db2.gz SKWOIXDHCQDBPU-GDNBJRDFSA-N -1 0 399.859 3.903 50 0 GHAARM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cnn1-c1ccccc1Cl ZINC000237746801 570393402 /nfs/dbraw/zinc/39/34/02/570393402.db2.gz URLRFMHAJULQKR-AWEZNQCLSA-N -1 0 375.856 3.551 50 0 GHAARM CO[C@H](C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000400223763 570419129 /nfs/dbraw/zinc/41/91/29/570419129.db2.gz ORNJJNYXYQHEIC-LEWJYISDSA-N -1 0 395.455 3.793 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000238068550 570423099 /nfs/dbraw/zinc/42/30/99/570423099.db2.gz YDRBCKJQTOTTBG-JKSUJKDBSA-N -1 0 386.275 3.579 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2Br)c1C ZINC000005132631 570423356 /nfs/dbraw/zinc/42/33/56/570423356.db2.gz LZBBLFFSQKOQNA-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000237969169 570479094 /nfs/dbraw/zinc/47/90/94/570479094.db2.gz NWMUNHQASJHGAX-NSHDSACASA-N -1 0 384.354 3.784 50 0 GHAARM Cc1cc(SCC(=O)OCc2nc3ccsc3c(=O)[nH]2)nc2ccccc12 ZINC000005173434 570492581 /nfs/dbraw/zinc/49/25/81/570492581.db2.gz YAVQOYUHIIKIHY-UHFFFAOYSA-N -1 0 397.481 3.677 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2O)cc1Cl ZINC000072301169 570505072 /nfs/dbraw/zinc/50/50/72/570505072.db2.gz GGHMUBKZPIQMEG-UHFFFAOYSA-N -1 0 392.658 3.618 50 0 GHAARM O=S(=O)([N-]c1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 ZINC000002779220 570516094 /nfs/dbraw/zinc/51/60/94/570516094.db2.gz ZZAOARLKFAPZCB-UHFFFAOYSA-N -1 0 383.807 3.664 50 0 GHAARM CCc1oc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2CC)cc1C(=O)[O-] ZINC000261703003 570549951 /nfs/dbraw/zinc/54/99/51/570549951.db2.gz UBNKQVSYRQNBLU-INIZCTEOSA-N -1 0 381.432 3.887 50 0 GHAARM CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001284176 570565966 /nfs/dbraw/zinc/56/59/66/570565966.db2.gz YBSPOEYQBIVXTC-UHFFFAOYSA-N -1 0 396.472 3.653 50 0 GHAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006800787 570603425 /nfs/dbraw/zinc/60/34/25/570603425.db2.gz WQZWMWMYXYLAFW-UHFFFAOYSA-N -1 0 386.395 3.646 50 0 GHAARM Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CCC[C@@H]4C(=O)[O-])cc3)c2)n1 ZINC000685942479 570675486 /nfs/dbraw/zinc/67/54/86/570675486.db2.gz UBIPSEOPECRXGX-OAQYLSRUSA-N -1 0 389.455 3.845 50 0 GHAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccccc1C(F)(F)F ZINC000033048569 570700216 /nfs/dbraw/zinc/70/02/16/570700216.db2.gz ZSIIIQUONCFWNG-UHFFFAOYSA-N -1 0 394.357 3.754 50 0 GHAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000001002288 570745511 /nfs/dbraw/zinc/74/55/11/570745511.db2.gz FARWYGVJXXNMDN-CVEARBPZSA-N -1 0 375.856 3.723 50 0 GHAARM CSc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1 ZINC000101725186 570831214 /nfs/dbraw/zinc/83/12/14/570831214.db2.gz HWDYLCJPTXMQFO-UHFFFAOYSA-N -1 0 383.404 3.822 50 0 GHAARM Cc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101803149 570835247 /nfs/dbraw/zinc/83/52/47/570835247.db2.gz SEHCMWCXTVVSNY-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM CCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000013250536 570837969 /nfs/dbraw/zinc/83/79/69/570837969.db2.gz LGFQWCQZUMKUPO-UHFFFAOYSA-N -1 0 392.315 3.738 50 0 GHAARM CN(C)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000032828732 570842370 /nfs/dbraw/zinc/84/23/70/570842370.db2.gz YZOIRFGBMOLVOF-UHFFFAOYSA-N -1 0 396.394 3.515 50 0 GHAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000170592293 570851315 /nfs/dbraw/zinc/85/13/15/570851315.db2.gz QXNCFLCIKFWJIZ-JTQLQIEISA-N -1 0 380.853 3.637 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2[n-]c1=S ZINC000102675313 570856915 /nfs/dbraw/zinc/85/69/15/570856915.db2.gz LBPOPGUBFJMRIY-GOSISDBHSA-N -1 0 379.485 3.682 50 0 GHAARM CCc1ccc(S(=O)(=O)Nc2ccc(N(CC)CC)c(C(=O)[O-])c2)cc1 ZINC000033253650 570861936 /nfs/dbraw/zinc/86/19/36/570861936.db2.gz ZSYOWXFUUCIFHD-UHFFFAOYSA-N -1 0 376.478 3.594 50 0 GHAARM CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000170605759 570863492 /nfs/dbraw/zinc/86/34/92/570863492.db2.gz VGDJHCMLWWBADY-UHFFFAOYSA-N -1 0 378.407 3.861 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2[n-]c1=S ZINC000102828858 570866386 /nfs/dbraw/zinc/86/63/86/570866386.db2.gz XZTICVIAQFOUEU-UHFFFAOYSA-N -1 0 393.390 3.976 50 0 GHAARM O=C(CSc1ccccc1C(=O)[O-])Nc1nnc(Cc2ccccc2)s1 ZINC000015108601 570881547 /nfs/dbraw/zinc/88/15/47/570881547.db2.gz NFHMSLVHJBQXBW-UHFFFAOYSA-N -1 0 385.470 3.558 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1)N1CCCCC1 ZINC000016579447 570928302 /nfs/dbraw/zinc/92/83/02/570928302.db2.gz RWPOBVLCYXSRKI-UHFFFAOYSA-N -1 0 392.908 3.908 50 0 GHAARM Cc1cc(C)cc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000001136985 570953543 /nfs/dbraw/zinc/95/35/43/570953543.db2.gz MLKBERAUYDKUKR-LICLKQGHSA-N -1 0 375.453 3.616 50 0 GHAARM O=C([O-])CCCCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170675887 571008742 /nfs/dbraw/zinc/00/87/42/571008742.db2.gz IWENKGMUORZQEB-UHFFFAOYSA-N -1 0 385.342 3.520 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1Br ZINC000007709461 571019405 /nfs/dbraw/zinc/01/94/05/571019405.db2.gz FQKXVEWYKFPGRP-UHFFFAOYSA-N -1 0 393.262 3.807 50 0 GHAARM CCOc1cc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)[O-])ccc1O ZINC000046102268 571023630 /nfs/dbraw/zinc/02/36/30/571023630.db2.gz GRCCLPPNZSRUPS-ZRDIBKRKSA-N -1 0 394.427 3.536 50 0 GHAARM CCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccc1OCC(=O)[O-] ZINC000262622113 599895832 /nfs/dbraw/zinc/89/58/32/599895832.db2.gz MZAGCEONNIHMTO-GFCCVEGCSA-N -1 0 377.824 3.693 50 0 GHAARM COc1ccccc1Cn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000003043359 862140875 /nfs/dbraw/zinc/14/08/75/862140875.db2.gz JCKQEJYBJXXCHT-UHFFFAOYSA-N -1 0 377.263 3.505 50 0 GHAARM Cc1noc(C)c1CSCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)s1 ZINC000095463979 860594009 /nfs/dbraw/zinc/59/40/09/860594009.db2.gz LDYZKTWCWAWEAZ-LLVKDONJSA-N -1 0 388.898 3.572 50 0 GHAARM O=C(Nc1ccccc1SCc1cc(=O)n2nc[n-]c2n1)c1cccc(F)c1 ZINC000021147998 860726598 /nfs/dbraw/zinc/72/65/98/860726598.db2.gz IATVAMXRRDJJCM-UHFFFAOYSA-N -1 0 395.419 3.514 50 0 GHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2C)n1 ZINC000096379747 860909003 /nfs/dbraw/zinc/90/90/03/860909003.db2.gz JDQLWBHSDMANCN-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000022458880 861125791 /nfs/dbraw/zinc/12/57/91/861125791.db2.gz YYIDDHICZCFLLZ-GOSISDBHSA-N -1 0 399.564 3.655 50 0 GHAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621586451 885301276 /nfs/dbraw/zinc/30/12/76/885301276.db2.gz BGBIUIMAHCGDAN-GJZGRUSLSA-N -1 0 378.350 3.839 50 0 GHAARM CC1=C(c2ccco2)CN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CC1 ZINC000952845087 904626552 /nfs/dbraw/zinc/62/65/52/904626552.db2.gz YFVUOJWWPANPRS-UHFFFAOYSA-N -1 0 394.880 3.624 50 0 GHAARM C[C@H](Oc1ccc(CNCc2nncn2C2CCCCC2)cc1Cl)C(=O)[O-] ZINC000952871694 904636128 /nfs/dbraw/zinc/63/61/28/904636128.db2.gz BGSQGEBSBYPRAA-ZDUSSCGKSA-N -1 0 392.887 3.578 50 0 GHAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NC[C@@H]1CCCO1 ZINC000001161395 918475691 /nfs/dbraw/zinc/47/56/91/918475691.db2.gz KEYACANAMKEDNQ-YFKPBYRVSA-N -1 0 387.046 3.907 50 0 GHAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(I)cc2)[C@H](C(=O)[O-])C1 ZINC000004371574 204042120 /nfs/dbraw/zinc/04/21/20/204042120.db2.gz KTSLUZPORMHNPS-ZIAGYGMSSA-N -1 0 399.228 3.677 50 0 GHAARM COc1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000003626627 204015780 /nfs/dbraw/zinc/01/57/80/204015780.db2.gz VZDWRYHVLNLIKC-LJQANCHMSA-N -1 0 385.460 3.704 50 0 GHAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000003653131 204016508 /nfs/dbraw/zinc/01/65/08/204016508.db2.gz PGCBIVGNSXIAKD-UHFFFAOYSA-N -1 0 389.201 3.994 50 0 GHAARM O=C([O-])C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000004489083 204047723 /nfs/dbraw/zinc/04/77/23/204047723.db2.gz LHCOZCRYTQNSBL-UHFFFAOYSA-N -1 0 386.039 3.532 50 0 GHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000004580568 204054306 /nfs/dbraw/zinc/05/43/06/204054306.db2.gz LIHZVSZLMSWGOT-INIZCTEOSA-N -1 0 392.249 3.712 50 0 GHAARM Cc1nn2c(nc(C)cc2N2CCC(C(=O)[O-])CC2)c1-c1ccc(Cl)cc1 ZINC000004660630 204061300 /nfs/dbraw/zinc/06/13/00/204061300.db2.gz VGUMZXCOTRUXFL-UHFFFAOYSA-N -1 0 384.867 3.968 50 0 GHAARM CCCN(CCC)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000005264343 204121770 /nfs/dbraw/zinc/12/17/70/204121770.db2.gz QGIAVUQSFVCLRL-UHFFFAOYSA-N -1 0 385.489 3.963 50 0 GHAARM O=C([O-])CCC(=O)NCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000005000374 204101095 /nfs/dbraw/zinc/10/10/95/204101095.db2.gz FWXQVVBSPWGECH-UHFFFAOYSA-N -1 0 389.411 3.767 50 0 GHAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005794179 204151042 /nfs/dbraw/zinc/15/10/42/204151042.db2.gz BZTQOGCCYWZUPG-HXUWFJFHSA-N -1 0 380.444 3.936 50 0 GHAARM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OCC)c1 ZINC000005464835 204134547 /nfs/dbraw/zinc/13/45/47/204134547.db2.gz SZGGGYVUXYFZGA-UYAOXDASSA-N -1 0 380.444 3.654 50 0 GHAARM CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006780078 204204662 /nfs/dbraw/zinc/20/46/62/204204662.db2.gz GHEXLTFXJNUKNC-XAPRQVHKSA-N -1 0 377.506 3.658 50 0 GHAARM CCc1cccc(CC)c1-n1c(CNC(=O)COc2ccccc2)n[n-]c1=S ZINC000006354201 204176196 /nfs/dbraw/zinc/17/61/96/204176196.db2.gz BICFEQNOJDQADP-UHFFFAOYSA-N -1 0 396.516 3.750 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000006414651 204178147 /nfs/dbraw/zinc/17/81/47/204178147.db2.gz VDDFTRXBDRQVTH-UHFFFAOYSA-N -1 0 398.406 3.742 50 0 GHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000007005225 204230546 /nfs/dbraw/zinc/23/05/46/204230546.db2.gz JRBOZEPYERPWES-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2OC)cc1 ZINC000007051209 204231478 /nfs/dbraw/zinc/23/14/78/204231478.db2.gz MBWLVOGXKDDXBZ-CYBMUJFWSA-N -1 0 376.478 3.968 50 0 GHAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009089630 204298205 /nfs/dbraw/zinc/29/82/05/204298205.db2.gz OHEFCSGYYOVPHM-FMQUCBEESA-N -1 0 389.455 3.843 50 0 GHAARM CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000008738161 204287170 /nfs/dbraw/zinc/28/71/70/204287170.db2.gz MBZXSYCFSXPYGM-SJLPKXTDSA-N -1 0 381.432 3.525 50 0 GHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl)C(=O)/C=C/C(=O)[O-] ZINC000008861909 204291897 /nfs/dbraw/zinc/29/18/97/204291897.db2.gz SJHNSWRZXUFDRM-VAWYXSNFSA-N -1 0 395.846 3.792 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C ZINC000008105405 204261539 /nfs/dbraw/zinc/26/15/39/204261539.db2.gz ZLLPJKYOOZFUMR-UHFFFAOYSA-N -1 0 389.351 3.701 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000009151995 204301445 /nfs/dbraw/zinc/30/14/45/204301445.db2.gz YOGUFHJFKQBOPW-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc(OC)c1 ZINC000033297600 204956702 /nfs/dbraw/zinc/95/67/02/204956702.db2.gz MGFLYMWQAUJEIM-UHFFFAOYSA-N -1 0 396.515 3.998 50 0 GHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000036293776 205011270 /nfs/dbraw/zinc/01/12/70/205011270.db2.gz SLVDFVKLVVTVSA-UHFFFAOYSA-N -1 0 389.473 3.853 50 0 GHAARM CC(C)Oc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000040139852 205056683 /nfs/dbraw/zinc/05/66/83/205056683.db2.gz CEPYYMDJNMCLKU-FMIVXFBMSA-N -1 0 378.428 3.829 50 0 GHAARM COc1ccc(-c2cc(C(=O)NCCCC(=O)[O-])c3ccccc3n2)cc1OC ZINC000040312963 205060768 /nfs/dbraw/zinc/06/07/68/205060768.db2.gz WEPIYQSIVZADMZ-UHFFFAOYSA-N -1 0 394.427 3.514 50 0 biogenic GHAARM O=C([O-])CCCCCNC(=O)CCn1ccc2c1cccc2Br ZINC000040309462 205061589 /nfs/dbraw/zinc/06/15/89/205061589.db2.gz OFOUJOSJTCMPSB-UHFFFAOYSA-N -1 0 381.270 3.555 50 0 biogenic GHAARM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000055600349 205150351 /nfs/dbraw/zinc/15/03/51/205150351.db2.gz IRRXMHNMSLHOPB-UHFFFAOYSA-N -1 0 385.445 3.912 50 0 GHAARM CSc1cccc(NC(=O)C[C@@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)c1 ZINC000061719674 205183123 /nfs/dbraw/zinc/18/31/23/205183123.db2.gz IBSURKHILFPMJU-HNNXBMFYSA-N -1 0 388.470 3.548 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c(C)n2CC)o1 ZINC000065186625 205216871 /nfs/dbraw/zinc/21/68/71/205216871.db2.gz QXPPGUWUOPYTGY-UHFFFAOYSA-N -1 0 388.493 3.846 50 0 GHAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)s1)N1CCCCC1 ZINC000064919696 205200985 /nfs/dbraw/zinc/20/09/85/205200985.db2.gz XQWWSUVDPYTMTA-UHFFFAOYSA-N -1 0 398.937 3.757 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1C ZINC000064919774 205201196 /nfs/dbraw/zinc/20/11/96/205201196.db2.gz CFXAJQWTKQVXCA-UHFFFAOYSA-N -1 0 392.546 3.721 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000064947322 205201914 /nfs/dbraw/zinc/20/19/14/205201914.db2.gz KUKSRWFIPKEOPR-UHFFFAOYSA-N -1 0 391.880 3.952 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)c(OC)c1 ZINC000064979612 205204523 /nfs/dbraw/zinc/20/45/23/205204523.db2.gz FRPJWOCXEIHAHK-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(C)c2C)c1 ZINC000065008964 205206139 /nfs/dbraw/zinc/20/61/39/205206139.db2.gz FZHNAPYGQNUBAH-UHFFFAOYSA-N -1 0 377.491 3.575 50 0 GHAARM CCCn1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c2cccnc21 ZINC000065242232 205221637 /nfs/dbraw/zinc/22/16/37/205221637.db2.gz LDNAUXKHEUERAY-UHFFFAOYSA-N -1 0 379.869 3.909 50 0 GHAARM COCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1cccc(Cl)c1 ZINC000072260263 205318354 /nfs/dbraw/zinc/31/83/54/205318354.db2.gz JNWCWSZEHVIDSJ-UHFFFAOYSA-N -1 0 397.818 3.830 50 0 GHAARM COc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Sc1nccn1C ZINC000072282597 205320488 /nfs/dbraw/zinc/32/04/88/205320488.db2.gz HNEJQAUEIBKWQX-UHFFFAOYSA-N -1 0 393.465 3.520 50 0 GHAARM COc1ccsc1S(=O)(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000083984412 205391189 /nfs/dbraw/zinc/39/11/89/205391189.db2.gz KALHAUPOTGUMAU-UHFFFAOYSA-N -1 0 387.895 3.729 50 0 GHAARM C[C@@]([N-]S(=O)(=O)Cc1ccc(F)cc1F)(c1ccccc1)C(F)(F)F ZINC000095944116 205506655 /nfs/dbraw/zinc/50/66/55/205506655.db2.gz KOPMKYKMHDKVOX-OAHLLOKOSA-N -1 0 379.350 3.862 50 0 GHAARM O=C([O-])CC1=C(c2cccs2)Nn2c(nnc2-c2ccc(Cl)cc2)S1 ZINC000008391801 205795291 /nfs/dbraw/zinc/79/52/91/205795291.db2.gz GULWQMZMTANICX-LBPRGKRZSA-N -1 0 390.877 3.861 50 0 GHAARM Cc1oc([C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)nc1C(=O)[O-] ZINC000218911748 205950787 /nfs/dbraw/zinc/95/07/87/205950787.db2.gz FJKMLGAXBFCUTK-QGZVFWFLSA-N -1 0 380.400 3.891 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2ccc(C)cc2Br)sc1C(=O)[O-] ZINC000032926340 206096391 /nfs/dbraw/zinc/09/63/91/206096391.db2.gz GRSNWGIPZAIBQR-UHFFFAOYSA-N -1 0 390.280 3.626 50 0 GHAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCc2c[nH]c3ccccc23)c(C)c1 ZINC000241316991 206125849 /nfs/dbraw/zinc/12/58/49/206125849.db2.gz LWRSWZYIJGGEOW-UHFFFAOYSA-N -1 0 384.501 3.754 50 0 GHAARM COc1cccc(C(=O)N2[C@H](C(=O)[O-])CS[C@@H]2c2ccccc2Cl)c1 ZINC000000729682 220455064 /nfs/dbraw/zinc/45/50/64/220455064.db2.gz FVPGLRWDDAAXCV-DOTOQJQBSA-N -1 0 377.849 3.690 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)no1 ZINC000000790674 570223540 /nfs/dbraw/zinc/22/35/40/570223540.db2.gz LZNFZTMHDNSDMR-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000802944 570224362 /nfs/dbraw/zinc/22/43/62/570224362.db2.gz PEPZJVAEQZQKJG-UHFFFAOYSA-N -1 0 386.429 3.650 50 0 GHAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000001041558 570237510 /nfs/dbraw/zinc/23/75/10/570237510.db2.gz XSBGREUPZKIBNU-WOJBJXKFSA-N -1 0 376.387 3.786 50 0 GHAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000001041561 570237592 /nfs/dbraw/zinc/23/75/92/570237592.db2.gz XSBGREUPZKIBNU-PMACEKPBSA-N -1 0 376.387 3.786 50 0 GHAARM Cc1nnc(SCc2cc(=O)n3[n-]c(C)c(-c4ccc(F)cc4)c3n2)s1 ZINC000100137760 570266886 /nfs/dbraw/zinc/26/68/86/570266886.db2.gz CNQLLCKYECOCIO-UHFFFAOYSA-N -1 0 387.465 3.589 50 0 GHAARM CCOC(=O)C(C[C@@H](C(=O)OCC)C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000001725748 570267663 /nfs/dbraw/zinc/26/76/63/570267663.db2.gz FWWMZWILXXJXAE-RTBURBONSA-N -1 0 396.439 3.501 50 0 GHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCSc1ccc(C)cc1)c2=O ZINC000100432934 570272283 /nfs/dbraw/zinc/27/22/83/570272283.db2.gz FEHPSSWIIDHNSU-UHFFFAOYSA-N -1 0 386.498 3.946 50 0 GHAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCc4ccccc4)c(=O)n1c23 ZINC000100663114 570274302 /nfs/dbraw/zinc/27/43/02/570274302.db2.gz FCLUBWVZIJPUGD-CQSZACIVSA-N -1 0 394.446 3.716 50 0 GHAARM CCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000015862135 570278814 /nfs/dbraw/zinc/27/88/14/570278814.db2.gz HBAGNQOKJPWCFO-UHFFFAOYSA-N -1 0 375.475 3.754 50 0 GHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000328597030 570287903 /nfs/dbraw/zinc/28/79/03/570287903.db2.gz CQECXRMNLTYWLK-FQEVSTJZSA-N -1 0 395.455 3.857 50 0 GHAARM CCOc1ccccc1CCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236907152 570300105 /nfs/dbraw/zinc/30/01/05/570300105.db2.gz CSWOOPIUYXBMQJ-UHFFFAOYSA-N -1 0 381.472 3.663 50 0 GHAARM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020715993 570324397 /nfs/dbraw/zinc/32/43/97/570324397.db2.gz MXFKKMXYRDBUCK-FOIQADDNSA-N -1 0 378.428 3.757 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)cc1C ZINC000035378106 570346375 /nfs/dbraw/zinc/34/63/75/570346375.db2.gz RCUOIJHBECSXBZ-UHFFFAOYSA-N -1 0 389.864 3.508 50 0 GHAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F ZINC000000807767 570349689 /nfs/dbraw/zinc/34/96/89/570349689.db2.gz WUSNVOXWCRLSLK-MAUKXSAKSA-N -1 0 377.437 3.592 50 0 GHAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccc(Br)cc1 ZINC000012986817 570407232 /nfs/dbraw/zinc/40/72/32/570407232.db2.gz DBUBLXSEVNSIIR-UHFFFAOYSA-N -1 0 396.291 3.890 50 0 GHAARM Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005135088 570424122 /nfs/dbraw/zinc/42/41/22/570424122.db2.gz FMVWRFXWXUIVEN-UHFFFAOYSA-N -1 0 398.278 3.576 50 0 GHAARM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1OC ZINC000026527688 570426342 /nfs/dbraw/zinc/42/63/42/570426342.db2.gz PVDFQRBGRIGFNN-UHFFFAOYSA-N -1 0 379.331 3.663 50 0 GHAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)OC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000239310444 570429109 /nfs/dbraw/zinc/42/91/09/570429109.db2.gz ILAXCMFXNDTTON-GBYQISHSSA-N -1 0 380.440 3.607 50 0 GHAARM CC[C@@H](C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 ZINC000002808614 570519641 /nfs/dbraw/zinc/51/96/41/570519641.db2.gz ZQZVFWXVRMBHGK-INIZCTEOSA-N -1 0 399.911 3.650 50 0 GHAARM CC(C)=CCC/C(C)=C\CC(C)(C)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000584904484 570566704 /nfs/dbraw/zinc/56/67/04/570566704.db2.gz HPRZUVLINFKFRD-PGUKHPHPSA-N -1 0 387.520 3.962 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000002616456 570590730 /nfs/dbraw/zinc/59/07/30/570590730.db2.gz RZYLXRNQXJUIPO-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]1CCOC1 ZINC000685944994 570675422 /nfs/dbraw/zinc/67/54/22/570675422.db2.gz NFNSQJCGCBLTDW-JKSUJKDBSA-N -1 0 395.455 3.653 50 0 GHAARM C[C@](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000012972014 570733422 /nfs/dbraw/zinc/73/34/22/570733422.db2.gz BVKNNPHVIDDDMS-HSZRJFAPSA-N -1 0 394.471 3.730 50 0 GHAARM CSCC[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012985877 570737258 /nfs/dbraw/zinc/73/72/58/570737258.db2.gz ITSPMXNOBKYVNG-SJORKVTESA-N -1 0 375.515 3.843 50 0 GHAARM Cc1ccc2nc(-c3ccc(NC(=O)Cc4sc(N)nc4O)cc3)sc2c1 ZINC000005815205 570786543 /nfs/dbraw/zinc/78/65/43/570786543.db2.gz GPXDJKACFKJJKD-HNNXBMFYSA-N -1 0 396.497 3.557 50 0 GHAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1 ZINC000101299776 570818669 /nfs/dbraw/zinc/81/86/69/570818669.db2.gz TZLGMUVPUDBUIN-IBGZPJMESA-N -1 0 388.427 3.736 50 0 GHAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1 ZINC000012507912 570823543 /nfs/dbraw/zinc/82/35/43/570823543.db2.gz GQKRODGOXYWVMA-UHFFFAOYSA-N -1 0 390.262 3.707 50 0 GHAARM Cc1nc2[n-]c(CNc3ccccc3F)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101803093 570835387 /nfs/dbraw/zinc/83/53/87/570835387.db2.gz HIMIVLWHBXDMGM-UHFFFAOYSA-N -1 0 397.841 3.721 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)on1)c1ccc(F)cc1F ZINC000170592105 570851300 /nfs/dbraw/zinc/85/13/00/570851300.db2.gz YLMGIQGDBPXSTM-OAHLLOKOSA-N -1 0 390.317 3.705 50 0 GHAARM CSc1ccc([C@@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102679657 570858178 /nfs/dbraw/zinc/85/81/78/570858178.db2.gz IZQYVOJOYIQHLL-AWEZNQCLSA-N -1 0 388.452 3.623 50 0 GHAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000033253921 570861953 /nfs/dbraw/zinc/86/19/53/570861953.db2.gz VTCCFDBILGHUMH-UHFFFAOYSA-N -1 0 376.478 3.812 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1 ZINC000033256313 570863645 /nfs/dbraw/zinc/86/36/45/570863645.db2.gz JCFUABNAZUJWMQ-UHFFFAOYSA-N -1 0 399.497 3.635 50 0 GHAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000170612639 570870113 /nfs/dbraw/zinc/87/01/13/570870113.db2.gz IYSSSUJFKHRQRM-LJQANCHMSA-N -1 0 399.878 3.949 50 0 GHAARM COc1ccc(C)cc1NC(=O)CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000016206238 570917639 /nfs/dbraw/zinc/91/76/39/570917639.db2.gz CWRRQPLCUPNRHZ-UHFFFAOYSA-N -1 0 383.423 3.501 50 0 GHAARM COc1ccc(Cc2n[n-]c(Nc3ccc(Cl)c(Cl)c3)nc2=O)cc1 ZINC000016777420 570933165 /nfs/dbraw/zinc/93/31/65/570933165.db2.gz BOLUILLCVJBQCZ-UHFFFAOYSA-N -1 0 377.231 3.815 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017077591 570939452 /nfs/dbraw/zinc/93/94/52/570939452.db2.gz RQJJTONXJMPSKV-KBPBESRZSA-N -1 0 379.478 3.927 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000238070236 570945027 /nfs/dbraw/zinc/94/50/27/570945027.db2.gz JBDWFKFXOMVPMP-KBPBESRZSA-N -1 0 386.275 3.579 50 0 GHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002104931 570946774 /nfs/dbraw/zinc/94/67/74/570946774.db2.gz UKPUTZQLKIBXPJ-MGNBDDOMSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N(CC)Cc1ccc2[nH]ccc2c1 ZINC000252489165 570970548 /nfs/dbraw/zinc/97/05/48/570970548.db2.gz JIORKHGMFDFKRT-UHFFFAOYSA-N -1 0 399.516 3.982 50 0 GHAARM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n(C)n1 ZINC000170648041 570985025 /nfs/dbraw/zinc/98/50/25/570985025.db2.gz RQHFUYBCJWBNNB-UHFFFAOYSA-N -1 0 379.844 3.989 50 0 GHAARM COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1C(=O)[O-] ZINC000012775486 571028714 /nfs/dbraw/zinc/02/87/14/571028714.db2.gz KIKUWAQYTHVZKC-CYBMUJFWSA-N -1 0 392.455 3.930 50 0 GHAARM O=C([O-])[C@]1(NC(=O)c2csc(-c3cccs3)n2)CCCc2ccccc21 ZINC000095512447 571083077 /nfs/dbraw/zinc/08/30/77/571083077.db2.gz CZPNXIXVVHATIP-IBGZPJMESA-N -1 0 384.482 3.918 50 0 GHAARM C[C@@H]1Sc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2NC1=O ZINC000095970786 600878587 /nfs/dbraw/zinc/87/85/87/600878587.db2.gz XUSUPNIEENXOQK-NSHDSACASA-N -1 0 384.457 3.734 50 0 GHAARM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000031720098 862665994 /nfs/dbraw/zinc/66/59/94/862665994.db2.gz WAHILAJBDNXUDR-UHFFFAOYSA-N -1 0 387.244 3.751 50 0 GHAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000606441307 859835443 /nfs/dbraw/zinc/83/54/43/859835443.db2.gz NOBQTXMVDFVQKK-MZIHHIFMSA-N -1 0 383.419 3.509 50 0 GHAARM CC(C)(C)c1nc(C=Cc2cnc(-c3ccccn3)s2)c(C(=O)[O-])c(=O)[nH]1 ZINC000606442629 859836598 /nfs/dbraw/zinc/83/65/98/859836598.db2.gz YKVPXQUEQYFUDE-FPLPWBNLSA-N -1 0 382.445 3.867 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1OC ZINC000013358277 859893757 /nfs/dbraw/zinc/89/37/57/859893757.db2.gz LQUDVHONHIDNGZ-UHFFFAOYSA-N -1 0 390.486 3.937 50 0 GHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000026528255 860422070 /nfs/dbraw/zinc/42/20/70/860422070.db2.gz PCKDGKTUZSXSFZ-UHFFFAOYSA-N -1 0 387.910 3.668 50 0 GHAARM CC(C)(C)OC(=O)N1CCC(c2nc(=O)c3sc4c(c3[n-]2)CCCC4)CC1 ZINC000021523488 860818322 /nfs/dbraw/zinc/81/83/22/860818322.db2.gz QOUCITUHPPFLOG-UHFFFAOYSA-N -1 0 389.521 3.978 50 0 GHAARM CCc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000096379634 860907237 /nfs/dbraw/zinc/90/72/37/860907237.db2.gz HXIGEARJYXIZLK-UHFFFAOYSA-N -1 0 386.477 3.922 50 0 GHAARM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1OC(F)F ZINC000621588471 885304825 /nfs/dbraw/zinc/30/48/25/885304825.db2.gz YRHGHWDYIWDWDO-HOTGVXAUSA-N -1 0 375.371 3.647 50 0 GHAARM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc2c(c1)CCOC2 ZINC000659124372 930489645 /nfs/dbraw/zinc/48/96/45/930489645.db2.gz HWJRFTIXEKHRMB-UHFFFAOYSA-N -1 0 393.361 3.505 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000000795663 203853591 /nfs/dbraw/zinc/85/35/91/203853591.db2.gz FAZDMWUFJSHBPP-QWRGUYRKSA-N -1 0 375.222 3.603 50 0 GHAARM Cc1cc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)ccc1Cl ZINC000001108445 203883501 /nfs/dbraw/zinc/88/35/01/203883501.db2.gz URDFTTNCKSJXNR-HNNXBMFYSA-N -1 0 375.833 3.771 50 0 GHAARM Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(N)=O)c1-c1ccccc1 ZINC000002759906 203960937 /nfs/dbraw/zinc/96/09/37/203960937.db2.gz PFCQLNPFBCJWCT-UHFFFAOYSA-N -1 0 386.498 3.932 50 0 GHAARM O=C([O-])CC1(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)CCCCC1 ZINC000004362479 204040095 /nfs/dbraw/zinc/04/00/95/204040095.db2.gz WXDKAWJBMASHAO-UHFFFAOYSA-N -1 0 394.899 3.930 50 0 GHAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004573324 204054888 /nfs/dbraw/zinc/05/48/88/204054888.db2.gz JSSARJZMIKOZJM-PBHICJAKSA-N -1 0 397.855 3.855 50 0 GHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000004602529 204057259 /nfs/dbraw/zinc/05/72/59/204057259.db2.gz RUQBAXSNERZBNX-GOSISDBHSA-N -1 0 394.427 3.995 50 0 GHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000004599397 204057384 /nfs/dbraw/zinc/05/73/84/204057384.db2.gz MTBYWNNTCFCMGK-VMPITWQZSA-N -1 0 386.864 3.683 50 0 GHAARM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000005099655 204110919 /nfs/dbraw/zinc/11/09/19/204110919.db2.gz HJIBDJRHLUVGNO-UHFFFAOYSA-N -1 0 376.453 3.562 50 0 GHAARM CCOc1cc(C=Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)ccc1OC ZINC000006653248 204189536 /nfs/dbraw/zinc/18/95/36/204189536.db2.gz HCZIMMUBWRCSRI-SOFGYWHQSA-N -1 0 386.429 3.569 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887781 204219679 /nfs/dbraw/zinc/21/96/79/204219679.db2.gz CEMMXBAHKZHFLB-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccccc4F)cc3)nc2n1 ZINC000009572192 204315908 /nfs/dbraw/zinc/31/59/08/204315908.db2.gz ZZXGEIJLBBFMBR-UHFFFAOYSA-N -1 0 382.420 3.645 50 0 GHAARM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)ccc1Cl ZINC000012538413 204419716 /nfs/dbraw/zinc/41/97/16/204419716.db2.gz WLMXDAKFGPZYKY-UHFFFAOYSA-N -1 0 390.848 3.784 50 0 GHAARM COc1ccc(-c2n[n-]/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1OC ZINC000018044522 204615573 /nfs/dbraw/zinc/61/55/73/204615573.db2.gz UTUNLMNHJMDKKI-UHFFFAOYSA-N -1 0 375.837 3.550 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1O ZINC000040288606 205061700 /nfs/dbraw/zinc/06/17/00/205061700.db2.gz BVLIBTUEAFHHRK-AWEZNQCLSA-N -1 0 396.374 3.503 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000299747720 205099120 /nfs/dbraw/zinc/09/91/20/205099120.db2.gz DVBWGXHAKKHCMD-OIISXLGYSA-N -1 0 386.423 3.658 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914412 205108582 /nfs/dbraw/zinc/10/85/82/205108582.db2.gz IYLIUKBOARVOLJ-UHFFFAOYSA-N -1 0 396.428 3.541 50 0 GHAARM CCN(Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1)C(C)=O ZINC000048353636 205120269 /nfs/dbraw/zinc/12/02/69/205120269.db2.gz XWQCCQFZDNGPTP-UHFFFAOYSA-N -1 0 384.860 3.648 50 0 GHAARM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)cc1C ZINC000058377253 205173261 /nfs/dbraw/zinc/17/32/61/205173261.db2.gz NLASEJLOOFFGKU-UHFFFAOYSA-N -1 0 385.869 3.783 50 0 GHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2C1 ZINC000065196153 205217421 /nfs/dbraw/zinc/21/74/21/205217421.db2.gz GLHQOACZHSKCOI-UHFFFAOYSA-N -1 0 398.937 3.805 50 0 GHAARM O=C([O-])[C@]1(CCCc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071759065 205293681 /nfs/dbraw/zinc/29/36/81/205293681.db2.gz HKBYLCCVTCSRMQ-HSZRJFAPSA-N -1 0 391.471 3.893 50 0 GHAARM CCc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3cccc(OC)c3O2)cc1 ZINC000072332285 205325611 /nfs/dbraw/zinc/32/56/11/205325611.db2.gz JLMKBGWKQUMTJV-IVZQSRNASA-N -1 0 391.427 3.877 50 0 GHAARM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000095457361 205460918 /nfs/dbraw/zinc/46/09/18/205460918.db2.gz OZAZAOQNUUGBPX-UHFFFAOYSA-N -1 0 395.459 3.525 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1-c1nc(C2CC2)no1 ZINC000096379845 205562717 /nfs/dbraw/zinc/56/27/17/205562717.db2.gz DRJCZINYJXVQAF-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCCC[C@@H]4C(=O)[O-])cc3)o2)cc1 ZINC000237773880 205685711 /nfs/dbraw/zinc/68/57/11/205685711.db2.gz MBRQPIJENRHXQN-GOSISDBHSA-N -1 0 391.427 3.791 50 0 GHAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1cccc(Br)c1 ZINC000000819050 205697106 /nfs/dbraw/zinc/69/71/06/205697106.db2.gz NTIKWEMNMJCFEY-RYUDHWBXSA-N -1 0 388.283 3.885 50 0 GHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C\C(=O)[O-])c2C(=O)OC)C1 ZINC000005909360 205773780 /nfs/dbraw/zinc/77/37/80/205773780.db2.gz UFCUVRGIXPGMDF-TYBABMIJSA-N -1 0 379.478 3.655 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2csc(Br)c2)CC1 ZINC000095373471 206113242 /nfs/dbraw/zinc/11/32/42/206113242.db2.gz LYRXPTWNJDPFLQ-UHFFFAOYSA-N -1 0 394.290 3.769 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cnc1Br ZINC000097083579 206124563 /nfs/dbraw/zinc/12/45/63/206124563.db2.gz MOSPMFAKGRXXPD-UHFFFAOYSA-N -1 0 379.638 3.746 50 0 GHAARM CCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589384 136157147 /nfs/dbraw/zinc/15/71/47/136157147.db2.gz NFTZGBXVZNNLRP-UHFFFAOYSA-N -1 0 399.466 3.585 50 0 GHAARM C/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3C(=O)[O-])o2)C(=O)N1C ZINC000096568956 518571748 /nfs/dbraw/zinc/57/17/48/518571748.db2.gz BBBKFFWWBATGOW-OBHXIIETSA-N -1 0 376.821 3.830 50 0 GHAARM O=C([O-])[C@H](Cc1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621961 570210735 /nfs/dbraw/zinc/21/07/35/570210735.db2.gz JQLPMTXRCLXOJO-NRFANRHFSA-N -1 0 388.423 3.616 50 0 GHAARM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1 ZINC000000854639 570226816 /nfs/dbraw/zinc/22/68/16/570226816.db2.gz OHMIHTVYDBCNFQ-UHFFFAOYSA-N -1 0 397.452 3.789 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000011615524 570235826 /nfs/dbraw/zinc/23/58/26/570235826.db2.gz GCUNIKDMXZBAKB-UHFFFAOYSA-N -1 0 399.291 3.868 50 0 GHAARM COc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccccc2C)C[C@@H]2CCCO2)c1 ZINC000097674090 570248982 /nfs/dbraw/zinc/24/89/82/570248982.db2.gz WZCCMUHZDRGZJX-IBGZPJMESA-N -1 0 383.444 3.523 50 0 GHAARM COc1cc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)cc(OC)c1OC ZINC000020734578 570277767 /nfs/dbraw/zinc/27/77/67/570277767.db2.gz CKORWOPPQQVKGY-UHFFFAOYSA-N -1 0 393.399 3.579 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627424 570277924 /nfs/dbraw/zinc/27/79/24/570277924.db2.gz TWIDTHZECKCECT-DLBZAZTESA-N -1 0 378.428 3.853 50 0 GHAARM Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1ccc(Cl)cc1F ZINC000012928341 570298591 /nfs/dbraw/zinc/29/85/91/570298591.db2.gz ODTUCHULNFMFEX-UHFFFAOYSA-N -1 0 393.871 3.760 50 0 GHAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000002814221 570304424 /nfs/dbraw/zinc/30/44/24/570304424.db2.gz HCDQTFLQOLHGLV-SXGWCWSVSA-N -1 0 387.388 3.526 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c(C)c1 ZINC000002857011 570310098 /nfs/dbraw/zinc/31/00/98/570310098.db2.gz XUEDPPVCDMOFHJ-UHFFFAOYSA-N -1 0 381.881 3.541 50 0 GHAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1 ZINC000034763636 570333246 /nfs/dbraw/zinc/33/32/46/570333246.db2.gz UQJMGTBTQKCIAU-MRXNPFEDSA-N -1 0 398.507 3.613 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000008110186 570357124 /nfs/dbraw/zinc/35/71/24/570357124.db2.gz YKHBGMFKLIPPAJ-UHFFFAOYSA-N -1 0 397.250 3.708 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000024153072 570380073 /nfs/dbraw/zinc/38/00/73/570380073.db2.gz SXEYNCDBOSUVKI-UHFFFAOYSA-N -1 0 388.272 3.674 50 0 GHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000024924645 570398602 /nfs/dbraw/zinc/39/86/02/570398602.db2.gz UGCFIBKOYKBQKB-UHFFFAOYSA-N -1 0 392.484 3.828 50 0 GHAARM O=S(=O)([N-]c1cccc(-c2cn3c(n2)SCC3)c1)c1ccccc1F ZINC000005084006 570413803 /nfs/dbraw/zinc/41/38/03/570413803.db2.gz JJQIXDLZVZMMGY-UHFFFAOYSA-N -1 0 375.450 3.596 50 0 GHAARM O=S(=O)([N-]c1cccc(-c2cn3c(n2)SCC3)c1)c1cc(F)ccc1F ZINC000005083989 570413967 /nfs/dbraw/zinc/41/39/67/570413967.db2.gz KRZHSKXBZQHVDR-UHFFFAOYSA-N -1 0 393.440 3.735 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1 ZINC000072271995 570437358 /nfs/dbraw/zinc/43/73/58/570437358.db2.gz SJSLIKQVOSZRLK-UHFFFAOYSA-N -1 0 376.821 3.630 50 0 GHAARM Cc1sc(=O)n(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1C ZINC000127666303 570458305 /nfs/dbraw/zinc/45/83/05/570458305.db2.gz GATNTHFARHOBTP-UHFFFAOYSA-N -1 0 381.668 3.831 50 0 GHAARM Nc1nc(SCc2cccc3ccccc32)[n-]c(=O)c1NC(=O)c1ccco1 ZINC000002712561 570505680 /nfs/dbraw/zinc/50/56/80/570505680.db2.gz SILDIJJVNLMLOQ-UHFFFAOYSA-N -1 0 392.440 3.643 50 0 GHAARM Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1Cl ZINC000008587363 570535046 /nfs/dbraw/zinc/53/50/46/570535046.db2.gz AGTATSZFZZNXDZ-NSHDSACASA-N -1 0 377.897 3.730 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2Cl)cc1 ZINC000033026199 570661012 /nfs/dbraw/zinc/66/10/12/570661012.db2.gz SMLXCGDRFIWYLD-IAQYHMDHSA-N -1 0 394.880 3.744 50 0 GHAARM O=C([O-])c1cc(Br)ccc1NC(=O)COc1ccccc1Cl ZINC000004695751 570729133 /nfs/dbraw/zinc/72/91/33/570729133.db2.gz HULHWMRDXIICIG-UHFFFAOYSA-N -1 0 384.613 3.818 50 0 GHAARM O=C([O-])c1ccccc1SCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012937334 570730250 /nfs/dbraw/zinc/73/02/50/570730250.db2.gz NLYKDMGOLKZZAZ-INIZCTEOSA-N -1 0 399.468 3.612 50 0 GHAARM O=C(NCc1cccs1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215704 570734503 /nfs/dbraw/zinc/73/45/03/570734503.db2.gz DFCKXOUQPYFJKG-UHFFFAOYSA-N -1 0 396.493 3.808 50 0 GHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000013095765 570746035 /nfs/dbraw/zinc/74/60/35/570746035.db2.gz RLKFBLWNXBVTPV-GOSISDBHSA-N -1 0 398.390 3.632 50 0 GHAARM Cc1ccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2c(C)cccc2C)cc1 ZINC000013464881 570755221 /nfs/dbraw/zinc/75/52/21/570755221.db2.gz MUEJCHHBOLPCBW-UHFFFAOYSA-N -1 0 395.484 3.594 50 0 GHAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000159924905 570758704 /nfs/dbraw/zinc/75/87/04/570758704.db2.gz YYCKCCMSCGNHHD-CQSZACIVSA-N -1 0 398.406 3.837 50 0 GHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(F)(F)F)c1)C1CC1 ZINC000012525949 570830833 /nfs/dbraw/zinc/83/08/33/570830833.db2.gz HOYLHGPDZOCOQL-UHFFFAOYSA-N -1 0 384.379 3.855 50 0 GHAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)N1CCCCC1 ZINC000101832247 570836792 /nfs/dbraw/zinc/83/67/92/570836792.db2.gz SLKAMPNLUZAXOA-UHFFFAOYSA-N -1 0 396.516 3.868 50 0 GHAARM CSCC[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1)C(=O)[O-] ZINC000170625484 570882526 /nfs/dbraw/zinc/88/25/26/570882526.db2.gz BLDOCOIWWJXRLH-KRWDZBQOSA-N -1 0 382.485 3.626 50 0 GHAARM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000328695856 570932030 /nfs/dbraw/zinc/93/20/30/570932030.db2.gz TYMVKAVQCNNRQC-NSHDSACASA-N -1 0 376.448 3.745 50 0 GHAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002099122 570941782 /nfs/dbraw/zinc/94/17/82/570941782.db2.gz DXDVPNKCUWICPB-QGZVFWFLSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238070298 570944965 /nfs/dbraw/zinc/94/49/65/570944965.db2.gz JMIQBWJGAHQVBU-GJZGRUSLSA-N -1 0 386.275 3.579 50 0 GHAARM O=S(=O)([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1ccc2ccccc2c1 ZINC000002776796 861606560 /nfs/dbraw/zinc/60/65/60/861606560.db2.gz NBMXOGLFZUTUND-UHFFFAOYSA-N -1 0 398.875 3.934 50 0 GHAARM CCOc1cc2[n-]c(=S)n(CCC(OCC)OCC)c(=O)c2cc1OCC ZINC000003010190 862101829 /nfs/dbraw/zinc/10/18/29/862101829.db2.gz RQVDSLIHVJLTIN-UHFFFAOYSA-N -1 0 396.509 3.646 50 0 GHAARM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000031776906 862684626 /nfs/dbraw/zinc/68/46/26/862684626.db2.gz QYZJVGLZGZGMNJ-UHFFFAOYSA-N -1 0 388.876 3.996 50 0 GHAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2[n-]c1=S ZINC000003630045 859967093 /nfs/dbraw/zinc/96/70/93/859967093.db2.gz PCSRPFWJBQADJW-UHFFFAOYSA-N -1 0 381.501 3.805 50 0 GHAARM Cc1ccc(CC(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)o1 ZINC000095989483 860733844 /nfs/dbraw/zinc/73/38/44/860733844.db2.gz FUYODZMEIMNORD-UHFFFAOYSA-N -1 0 393.321 3.672 50 0 GHAARM O=C(/C=C\c1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000096291764 860845822 /nfs/dbraw/zinc/84/58/22/860845822.db2.gz PVZUAJVDUAXCKY-YHYXMXQVSA-N -1 0 390.823 3.546 50 0 GHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c2)no1 ZINC000021728257 860928163 /nfs/dbraw/zinc/92/81/63/860928163.db2.gz AMQRIEIGQFWFDB-UHFFFAOYSA-N -1 0 389.380 3.926 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](c2ccccc2Cl)C1 ZINC000101340697 870594243 /nfs/dbraw/zinc/59/42/43/870594243.db2.gz KVOOSSSUYRQWAJ-KRWDZBQOSA-N -1 0 394.818 3.772 50 0 GHAARM O=c1[n-]c(CNc2ccc(Cl)cc2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000066087513 878050499 /nfs/dbraw/zinc/05/04/99/878050499.db2.gz HJTLEQLEQVQWNB-UHFFFAOYSA-N -1 0 382.773 3.904 50 0 GHAARM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC000630245600 902938763 /nfs/dbraw/zinc/93/87/63/902938763.db2.gz LIVNZQQNMKUYIJ-NWDGAFQWSA-N -1 0 390.427 3.916 50 0 GHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)cc1 ZINC000192982381 904349154 /nfs/dbraw/zinc/34/91/54/904349154.db2.gz XYIRDBVLZCFQCT-AWEZNQCLSA-N -1 0 375.428 3.638 50 0 GHAARM CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(Br)c1O ZINC000254485902 916739980 /nfs/dbraw/zinc/73/99/80/916739980.db2.gz GHVFPFYKEKIJFQ-UHFFFAOYSA-N -1 0 379.210 3.698 50 0 GHAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 ZINC000000754360 918039077 /nfs/dbraw/zinc/03/90/77/918039077.db2.gz NZPXRLRONSFSPD-UHFFFAOYSA-N -1 0 391.456 3.756 50 0 GHAARM O=C([O-])/C(=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003370098 204002554 /nfs/dbraw/zinc/00/25/54/204002554.db2.gz RECPHKWEEKRATO-NTCAYCPXSA-N -1 0 395.477 3.687 50 0 GHAARM O=C([O-])c1cccnc1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000004390178 204043005 /nfs/dbraw/zinc/04/30/05/204043005.db2.gz FIULAEFIKIHSLO-MRXNPFEDSA-N -1 0 389.333 3.563 50 0 GHAARM COc1ccc(C(=O)COC(=O)c2ccccc2[S-])cc1Br ZINC000004593094 204055640 /nfs/dbraw/zinc/05/56/40/204055640.db2.gz TUXVKIUZJGVIGX-UHFFFAOYSA-N -1 0 381.247 3.786 50 0 GHAARM O=C([O-])CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000004957334 204096642 /nfs/dbraw/zinc/09/66/42/204096642.db2.gz COLXPXUYOTXHEH-UHFFFAOYSA-N -1 0 393.770 3.639 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000006914044 204223637 /nfs/dbraw/zinc/22/36/37/204223637.db2.gz YPLWRVUEQBENHQ-UHFFFAOYSA-N -1 0 375.475 3.758 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc(OC)c1OC ZINC000007053857 204230927 /nfs/dbraw/zinc/23/09/27/204230927.db2.gz JMOXJNOYKCIJMV-UHFFFAOYSA-N -1 0 391.367 3.532 50 0 GHAARM O=C(NCc1ccccc1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000007027469 204231613 /nfs/dbraw/zinc/23/16/13/204231613.db2.gz MOLVTGNJWPFJAG-UHFFFAOYSA-N -1 0 390.461 3.618 50 0 GHAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3SC(F)F)ccc2N1 ZINC000007423243 204241023 /nfs/dbraw/zinc/24/10/23/204241023.db2.gz RIQJGXJPSWLAIL-UHFFFAOYSA-N -1 0 384.429 3.687 50 0 GHAARM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccc(Cl)c(Cl)c1 ZINC000008836692 204291023 /nfs/dbraw/zinc/29/10/23/204291023.db2.gz UTWYLGRKYDFQHH-UHFFFAOYSA-N -1 0 398.193 3.826 50 0 GHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2ccc(C)nn2)cc1 ZINC000035597976 204274105 /nfs/dbraw/zinc/27/41/05/204274105.db2.gz LSBMTHFBQHNABC-UHFFFAOYSA-N -1 0 384.461 3.646 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2cccc(C)c2C)[n-]c2ccccc2c1=O ZINC000009300250 204305777 /nfs/dbraw/zinc/30/57/77/204305777.db2.gz HHMYWWRYXNBMCS-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2C)c1=O ZINC000009327334 204306690 /nfs/dbraw/zinc/30/66/90/204306690.db2.gz DDOHQYAKAROHBO-UHFFFAOYSA-N -1 0 395.484 3.540 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000009502427 204313303 /nfs/dbraw/zinc/31/33/03/204313303.db2.gz SKMYMYQLOYAGFR-LLVKDONJSA-N -1 0 399.921 3.959 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3ccccc32)cc1 ZINC000010112422 204330677 /nfs/dbraw/zinc/33/06/77/204330677.db2.gz YFXDLGYLYYUSSO-UHFFFAOYSA-N -1 0 392.480 3.999 50 0 GHAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Br)cc1 ZINC000009059993 204298673 /nfs/dbraw/zinc/29/86/73/204298673.db2.gz DFMAJETXDROEPR-UHFFFAOYSA-N -1 0 383.249 3.704 50 0 GHAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NNc1ccccc1)C(F)(F)F ZINC000009111249 204299553 /nfs/dbraw/zinc/29/95/53/204299553.db2.gz CQEUJZLNGGERID-MRXNPFEDSA-N -1 0 396.394 3.757 50 0 GHAARM CSCC[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012985881 204474194 /nfs/dbraw/zinc/47/41/94/204474194.db2.gz ITSPMXNOBKYVNG-IAGOWNOFSA-N -1 0 375.515 3.843 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962099 204934131 /nfs/dbraw/zinc/93/41/31/204934131.db2.gz HYHUUKZVUCLATO-UHFFFAOYSA-N -1 0 388.489 3.874 50 0 GHAARM O=C([O-])C1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1 ZINC000036353773 205012610 /nfs/dbraw/zinc/01/26/10/205012610.db2.gz VAIRZALFPCVFFX-UHFFFAOYSA-N -1 0 392.455 3.544 50 0 GHAARM CC(C)[C@H](NC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000040312601 205061796 /nfs/dbraw/zinc/06/17/96/205061796.db2.gz NGJZBGUHMWJGBJ-QFIPXVFZSA-N -1 0 394.471 3.836 50 0 biogenic GHAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000299746588 205098740 /nfs/dbraw/zinc/09/87/40/205098740.db2.gz YGSNGFFPBHNREM-INIZCTEOSA-N -1 0 395.390 3.596 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ncccc2C)c(C(C)C)cc1Br ZINC000041096148 205077087 /nfs/dbraw/zinc/07/70/87/205077087.db2.gz YZVDHKDZULOAFZ-UHFFFAOYSA-N -1 0 383.311 3.807 50 0 GHAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)cs1 ZINC000045961610 205099564 /nfs/dbraw/zinc/09/95/64/205099564.db2.gz DRKFTXLPERSZGT-UHFFFAOYSA-N -1 0 378.519 3.792 50 0 GHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1 ZINC000046049803 205103505 /nfs/dbraw/zinc/10/35/05/205103505.db2.gz XVOWWPZOBIFJES-UHFFFAOYSA-N -1 0 378.519 3.908 50 0 GHAARM CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1 ZINC000064919714 205200555 /nfs/dbraw/zinc/20/05/55/205200555.db2.gz RINKPOZXCKENLH-UHFFFAOYSA-N -1 0 392.546 3.666 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000064947305 205202641 /nfs/dbraw/zinc/20/26/41/205202641.db2.gz MSORSAXQXSJZNH-UHFFFAOYSA-N -1 0 377.416 3.877 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)n(C)c1C ZINC000065009111 205205491 /nfs/dbraw/zinc/20/54/91/205205491.db2.gz ZXCUXHYFKSYLEH-UHFFFAOYSA-N -1 0 391.518 3.883 50 0 GHAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000064801786 205194968 /nfs/dbraw/zinc/19/49/68/205194968.db2.gz NUWUJVLWKDLULW-UHFFFAOYSA-N -1 0 389.506 3.823 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000065249997 205221961 /nfs/dbraw/zinc/22/19/61/205221961.db2.gz UOLHAXKUQJDXMU-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM Cc1c(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)[nH]nc1-c1ccccc1 ZINC000072165959 205316658 /nfs/dbraw/zinc/31/66/58/205316658.db2.gz OLDYDJYHFICNRQ-INIZCTEOSA-N -1 0 375.428 3.713 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000079047661 205379214 /nfs/dbraw/zinc/37/92/14/205379214.db2.gz PHBGBWXRXABOFV-UHFFFAOYSA-N -1 0 399.472 3.808 50 0 GHAARM Cc1ccn2c(c1)n[n-]/c2=N\C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000079071550 205381133 /nfs/dbraw/zinc/38/11/33/205381133.db2.gz PYGBUZJKYSKIJT-UHFFFAOYSA-N -1 0 376.416 3.501 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c([O-])c2ccccc21 ZINC000100675463 205610231 /nfs/dbraw/zinc/61/02/31/205610231.db2.gz CTFNUWUHLQCJCB-UHFFFAOYSA-N -1 0 376.334 3.998 50 0 GHAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)sc1-c1ccc(F)cc1 ZINC000237668740 205685413 /nfs/dbraw/zinc/68/54/13/205685413.db2.gz JBAKTMMFMPSRGO-UHFFFAOYSA-N -1 0 377.437 3.568 50 0 GHAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c21 ZINC000006624087 205779097 /nfs/dbraw/zinc/77/90/97/205779097.db2.gz RNVZUVNBAQPUSW-IBGZPJMESA-N -1 0 399.443 3.541 50 0 biogenic GHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000009190516 205824785 /nfs/dbraw/zinc/82/47/85/205824785.db2.gz LWKXIZKZBKMELS-FARCUNLSSA-N -1 0 392.205 3.513 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000225707878 206069261 /nfs/dbraw/zinc/06/92/61/206069261.db2.gz GPWLKYGZZCIAST-GOSISDBHSA-N -1 0 382.395 3.576 50 0 GHAARM CCCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003765114 206213338 /nfs/dbraw/zinc/21/33/38/206213338.db2.gz STYWVPJADHBCHK-IBGZPJMESA-N -1 0 391.489 3.668 50 0 GHAARM O=C([O-])c1csc(-n2nc(/C=C/c3ccccc3O)cc2C(F)(F)F)n1 ZINC000006863671 206220017 /nfs/dbraw/zinc/22/00/17/206220017.db2.gz BEWZEDXXITXGMP-AATRIKPKSA-N -1 0 381.335 3.922 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000058013937 136154130 /nfs/dbraw/zinc/15/41/30/136154130.db2.gz BFSLDHSHXCBWKW-AWEZNQCLSA-N -1 0 388.489 3.730 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(OC)CC3)cc2)s1 ZINC000096382293 136186681 /nfs/dbraw/zinc/18/66/81/136186681.db2.gz IWLOATJFWYZEBR-UHFFFAOYSA-N -1 0 380.535 3.727 50 0 GHAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccccc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000096558266 136187258 /nfs/dbraw/zinc/18/72/58/136187258.db2.gz RCVSPZXXCRHDHH-CCEZHUSRSA-N -1 0 399.878 3.636 50 0 GHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c2)o1 ZINC000065098672 222100988 /nfs/dbraw/zinc/10/09/88/222100988.db2.gz MKSQZUFPLHUQGR-UHFFFAOYSA-N -1 0 399.881 3.823 50 0 GHAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 ZINC000035114250 570234224 /nfs/dbraw/zinc/23/42/24/570234224.db2.gz JKVOXRBVYKSBFX-ZBFHGGJFSA-N -1 0 392.274 3.790 50 0 GHAARM O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000020064826 570238375 /nfs/dbraw/zinc/23/83/75/570238375.db2.gz IKQFQTHASNTFMG-INIZCTEOSA-N -1 0 388.217 3.824 50 0 GHAARM CC[C@@H](C(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1)c1ccccc1 ZINC000015861957 570278503 /nfs/dbraw/zinc/27/85/03/570278503.db2.gz VFLBKFVTXHRZKU-CQSZACIVSA-N -1 0 389.502 3.800 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000002879107 570315206 /nfs/dbraw/zinc/31/52/06/570315206.db2.gz ADEUGNAOPKNJEF-UHFFFAOYSA-N -1 0 394.427 3.588 50 0 GHAARM COc1ccc(-c2nc3c(nc(-c4cccc(OC)c4O)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694752 570343356 /nfs/dbraw/zinc/34/33/56/570343356.db2.gz XFIMLXOTNIZUCD-UHFFFAOYSA-N -1 0 391.383 3.713 50 0 GHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000035405472 570351734 /nfs/dbraw/zinc/35/17/34/570351734.db2.gz DTMVIMIYZMOMEX-UHFFFAOYSA-N -1 0 378.519 3.874 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2coc3c2ccc(C)c3C)c1 ZINC000024152854 570379619 /nfs/dbraw/zinc/37/96/19/570379619.db2.gz HBSRWEBFUMLTIJ-UHFFFAOYSA-N -1 0 387.457 3.730 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)s1 ZINC000024346202 570382353 /nfs/dbraw/zinc/38/23/53/570382353.db2.gz CZJMXYHNSWSSNM-UHFFFAOYSA-N -1 0 388.518 3.842 50 0 GHAARM CCCCC(=O)Nc1ccc(N(C)CCc2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000035510989 570388022 /nfs/dbraw/zinc/38/80/22/570388022.db2.gz IWFKUNSOZRYHKM-UHFFFAOYSA-N -1 0 386.496 3.543 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C)n2)sc1C ZINC000035539163 570391284 /nfs/dbraw/zinc/39/12/84/570391284.db2.gz YZVSSQRYNARPRJ-UHFFFAOYSA-N -1 0 399.881 3.878 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)SCC4)cc2)s1 ZINC000005084109 570413973 /nfs/dbraw/zinc/41/39/73/570413973.db2.gz WBRSHMOCVLTTTP-UHFFFAOYSA-N -1 0 377.516 3.827 50 0 GHAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000238110821 570425373 /nfs/dbraw/zinc/42/53/73/570425373.db2.gz LIYOBVQGAOQVHH-GFCCVEGCSA-N -1 0 394.880 3.559 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000237959850 570476511 /nfs/dbraw/zinc/47/65/11/570476511.db2.gz UPKGFXZZFLRUBK-ZDUSSCGKSA-N -1 0 376.840 3.641 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000030521582 570490485 /nfs/dbraw/zinc/49/04/85/570490485.db2.gz QJXJCQFHRSYVSM-HOTGVXAUSA-N -1 0 386.835 3.920 50 0 GHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000072295576 570503572 /nfs/dbraw/zinc/50/35/72/570503572.db2.gz HIKNVVVRGWMXBH-UHFFFAOYSA-N -1 0 398.488 3.826 50 0 GHAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000002778287 570515710 /nfs/dbraw/zinc/51/57/10/570515710.db2.gz HQKOTIGUJXKXGW-UHFFFAOYSA-N -1 0 397.287 3.742 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)[O-] ZINC000001176386 570535233 /nfs/dbraw/zinc/53/52/33/570535233.db2.gz RCBAVIICQDQUSE-NEPJUHHUSA-N -1 0 385.869 3.714 50 0 GHAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000013696193 570669127 /nfs/dbraw/zinc/66/91/27/570669127.db2.gz KGGMMZIJQZWTOK-UHFFFAOYSA-N -1 0 390.511 3.813 50 0 GHAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101168122 570814822 /nfs/dbraw/zinc/81/48/22/570814822.db2.gz DNBUATFXBNGHIX-LSDHHAIUSA-N -1 0 393.205 3.626 50 0 GHAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)c1 ZINC000101803099 570835450 /nfs/dbraw/zinc/83/54/50/570835450.db2.gz IOBRBYUKHFGVMN-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3csc(C)n3)cc2)c1 ZINC000014869007 570863378 /nfs/dbraw/zinc/86/33/78/570863378.db2.gz BKKYZMSDZKPXLB-UHFFFAOYSA-N -1 0 390.486 3.937 50 0 GHAARM Cc1conc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000170609271 570865645 /nfs/dbraw/zinc/86/56/45/570865645.db2.gz MGIVWOGEGCIXES-UHFFFAOYSA-N -1 0 386.054 3.853 50 0 GHAARM Cc1c(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cnn1C ZINC000017079049 570940014 /nfs/dbraw/zinc/94/00/14/570940014.db2.gz FBQLIRJHXHLDBR-UHFFFAOYSA-N -1 0 387.305 3.567 50 0 GHAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080217 570940730 /nfs/dbraw/zinc/94/07/30/570940730.db2.gz RCMKIWSSWOPFQF-GFCCVEGCSA-N -1 0 392.521 3.739 50 0 GHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017080210 570940847 /nfs/dbraw/zinc/94/08/47/570940847.db2.gz BMTPIMBVNGETAC-LBPRGKRZSA-N -1 0 392.521 3.739 50 0 GHAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117674 570952820 /nfs/dbraw/zinc/95/28/20/570952820.db2.gz CTOQMBWDDNGOOI-INIZCTEOSA-N -1 0 399.443 3.667 50 0 biogenic GHAARM COc1c(Cl)cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1Cl ZINC000012766054 571015982 /nfs/dbraw/zinc/01/59/82/571015982.db2.gz GZNMFBSCKDGCMU-UHFFFAOYSA-N -1 0 398.271 3.572 50 0 GHAARM O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Br)c(F)c1 ZINC000095067873 571049675 /nfs/dbraw/zinc/04/96/75/571049675.db2.gz LEHRYLBRMNKBSK-UHFFFAOYSA-N -1 0 384.148 3.806 50 0 GHAARM C/C(=C/C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1C(F)(F)F ZINC000236618948 600967316 /nfs/dbraw/zinc/96/73/16/600967316.db2.gz KKDRWBNCNXLFTG-SEYXRHQNSA-N -1 0 385.382 3.591 50 0 GHAARM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000191041031 602032337 /nfs/dbraw/zinc/03/23/37/602032337.db2.gz AJMPHRFLWYNQQX-HXUWFJFHSA-N -1 0 398.488 3.678 50 0 GHAARM CCOc1ccc(Nc2nc(O)c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000005931091 842044239 /nfs/dbraw/zinc/04/42/39/842044239.db2.gz BWBRJRJNZAONMB-KRWDZBQOSA-N -1 0 383.473 3.832 50 0 GHAARM Cc1cccc(Cn2cnc([N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000002778184 861607383 /nfs/dbraw/zinc/60/73/83/861607383.db2.gz YBONJROHRSCQAV-UHFFFAOYSA-N -1 0 378.457 3.589 50 0 GHAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002841693 847075647 /nfs/dbraw/zinc/07/56/47/847075647.db2.gz ZMVFCXCURNQLGK-SJORKVTESA-N -1 0 394.427 3.553 50 0 GHAARM C[C@H]1CCCC[C@H]1NC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925474 861800062 /nfs/dbraw/zinc/80/00/62/861800062.db2.gz MVTMKEGACGXMGE-QWHCGFSZSA-N -1 0 379.551 3.986 50 0 GHAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1 ZINC000003059177 862152625 /nfs/dbraw/zinc/15/26/25/862152625.db2.gz GCFIEJQZISXPDK-UHFFFAOYSA-N -1 0 387.530 3.997 50 0 GHAARM O=C([O-])c1ccc(C=C(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)cc1 ZINC000003258886 862287908 /nfs/dbraw/zinc/28/79/08/862287908.db2.gz OHEULDOAHSHEQP-UHFFFAOYSA-N -1 0 398.503 3.666 50 0 GHAARM CCCC[C@@H](Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1)C(=O)[O-] ZINC000004165129 862835461 /nfs/dbraw/zinc/83/54/61/862835461.db2.gz FTZIKNQBFYEECS-OAHLLOKOSA-N -1 0 386.477 3.926 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3cc(C)ccc3nc21 ZINC000009317146 857113863 /nfs/dbraw/zinc/11/38/63/857113863.db2.gz YINQHIBFHOQIFT-UHFFFAOYSA-N -1 0 384.436 3.853 50 0 GHAARM CCCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000034133813 857424188 /nfs/dbraw/zinc/42/41/88/857424188.db2.gz AAQWLIXLYZLLPY-UHFFFAOYSA-N -1 0 386.477 3.582 50 0 GHAARM O=C(C=Cc1csc(Br)c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000606443279 859836621 /nfs/dbraw/zinc/83/66/21/859836621.db2.gz OODIWEDRIQUHHK-PLNGDYQASA-N -1 0 392.234 3.506 50 0 GHAARM C[C@]([N-]S(=O)(=O)Cc1ccc(F)cc1F)(c1ccccc1)C(F)(F)F ZINC000095944117 860710274 /nfs/dbraw/zinc/71/02/74/860710274.db2.gz KOPMKYKMHDKVOX-HNNXBMFYSA-N -1 0 379.350 3.862 50 0 GHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)n1 ZINC000096379780 860908590 /nfs/dbraw/zinc/90/85/90/860908590.db2.gz UZLQRIWESOHDKK-UHFFFAOYSA-N -1 0 380.857 3.698 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1C ZINC000021883941 860970096 /nfs/dbraw/zinc/97/00/96/860970096.db2.gz VWVIVTMRAHCNCO-UHFFFAOYSA-N -1 0 399.497 3.635 50 0 GHAARM O=c1[n-]c(CNc2cccc(Cl)c2)nn1Cc1cccc(C(F)(F)F)c1 ZINC000066087628 878032349 /nfs/dbraw/zinc/03/23/49/878032349.db2.gz BBVVCRMDJCBLIJ-UHFFFAOYSA-N -1 0 382.773 3.904 50 0 GHAARM Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(-c3cc(C(=O)[O-])ccc3Cl)o1)CC(=O)O2 ZINC000095475178 913492652 /nfs/dbraw/zinc/49/26/52/913492652.db2.gz HFLSLSFBHNDHHB-LBPRGKRZSA-N -1 0 399.786 3.736 50 0 GHAARM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000851043865 893057705 /nfs/dbraw/zinc/05/77/05/893057705.db2.gz XYHRXBWCIZQWCT-RBSFLKMASA-N -1 0 377.428 3.952 50 0 GHAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1onc(C2CCCCC2)c1C ZINC000585081021 897047908 /nfs/dbraw/zinc/04/79/08/897047908.db2.gz YODSOMHASYFIQH-UHFFFAOYSA-N -1 0 380.514 3.690 50 0 GHAARM CCOC(=O)c1c(C)[nH]c(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000254876520 917147777 /nfs/dbraw/zinc/14/77/77/917147777.db2.gz PCEQTAAZESPMHF-UHFFFAOYSA-N -1 0 377.828 3.996 50 0 GHAARM CN(C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000001051306 918314315 /nfs/dbraw/zinc/31/43/15/918314315.db2.gz QFWFOAATDWZGLO-RBUKOAKNSA-N -1 0 378.428 3.569 50 0 GHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3ccccc3Cl)n2)cc1 ZINC000013841719 919328905 /nfs/dbraw/zinc/32/89/05/919328905.db2.gz MTBYWNNTCFCMGK-YVMONPNESA-N -1 0 386.864 3.683 50 0 GHAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000659233514 930489561 /nfs/dbraw/zinc/48/95/61/930489561.db2.gz YEGBJPNRLDWHGF-WOSRLPQWSA-N -1 0 380.282 3.834 50 0 GHAARM Cc1cc(SCC(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)c(C)cc1Br ZINC000169998255 1014704474 /nfs/dbraw/zinc/70/44/74/1014704474.db2.gz LAJLDBNXOGFIIN-VXGBXAGGSA-N -1 0 386.311 3.528 50 0 GHAARM O=C([O-])Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000002365132 203940359 /nfs/dbraw/zinc/94/03/59/203940359.db2.gz IMDNLTIPPDPPCJ-YVLHZVERSA-N -1 0 378.409 3.967 50 0 GHAARM COc1ccc(-c2nnc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])s2)cc1 ZINC000002777370 203961732 /nfs/dbraw/zinc/96/17/32/203961732.db2.gz OIQXIJJTXKAISO-CABCVRRESA-N -1 0 387.461 3.599 50 0 GHAARM COc1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000003626644 204015984 /nfs/dbraw/zinc/01/59/84/204015984.db2.gz HEBCSMXKYPLRKL-KRWDZBQOSA-N -1 0 385.460 3.704 50 0 GHAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003623679 204016036 /nfs/dbraw/zinc/01/60/36/204016036.db2.gz LCASIQKJTKZQGV-KRWDZBQOSA-N -1 0 397.880 3.623 50 0 GHAARM O=C([O-])c1cccc(-c2ccc(C=Cc3cc(C(F)(F)F)nc(=O)[nH]3)o2)c1 ZINC000004009465 204022862 /nfs/dbraw/zinc/02/28/62/204022862.db2.gz NZIUPJPYTZDLDI-SNAWJCMRSA-N -1 0 376.290 3.917 50 0 GHAARM Cc1cccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3CCCC2)c1 ZINC000004844467 204081766 /nfs/dbraw/zinc/08/17/66/204081766.db2.gz IVDOJHQBRTZAMY-UHFFFAOYSA-N -1 0 386.498 3.811 50 0 GHAARM NC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000004646409 204059764 /nfs/dbraw/zinc/05/97/64/204059764.db2.gz MJRYERHSCVVTDL-VAWYXSNFSA-N -1 0 378.494 3.646 50 0 GHAARM O=C([O-])c1ccc(NC(=O)Cc2ccccc2)c(NC(=O)Cc2ccccc2)c1 ZINC000005773233 204152002 /nfs/dbraw/zinc/15/20/02/204152002.db2.gz SZTOFGZLUFFDKZ-UHFFFAOYSA-N -1 0 388.423 3.747 50 0 biogenic GHAARM CCN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000005446988 204133390 /nfs/dbraw/zinc/13/33/90/204133390.db2.gz KSBQVNFVPBLTFR-CPUCHLNUSA-N -1 0 398.406 3.584 50 0 GHAARM COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCCC(=O)[O-] ZINC000006476285 204180337 /nfs/dbraw/zinc/18/03/37/204180337.db2.gz TXRSVPKXJVUQCA-IBGZPJMESA-N -1 0 380.444 3.936 50 0 GHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000006551211 204183525 /nfs/dbraw/zinc/18/35/25/204183525.db2.gz PVMUVIISQBZOIN-UHFFFAOYSA-N -1 0 384.432 3.557 50 0 GHAARM O=c1nc(CSc2nnc3c(Cl)cc(Cl)cn23)[n-]c2ccsc21 ZINC000006909683 204222899 /nfs/dbraw/zinc/22/28/99/204222899.db2.gz XLOTXETTZPRNLO-UHFFFAOYSA-N -1 0 384.273 3.626 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000007615950 204244261 /nfs/dbraw/zinc/24/42/61/204244261.db2.gz AKHBUOULISPFRM-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM Cc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccc(F)cc1 ZINC000009547330 204315592 /nfs/dbraw/zinc/31/55/92/204315592.db2.gz GFRAUAHAYJTPIK-UHFFFAOYSA-N -1 0 381.436 3.940 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1)N1CCCCC1 ZINC000009695005 204320392 /nfs/dbraw/zinc/32/03/92/204320392.db2.gz KUDRXMVJFQJZTB-UHFFFAOYSA-N -1 0 392.908 3.908 50 0 GHAARM CCC(CC)(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(=O)[O-] ZINC000010169684 204331948 /nfs/dbraw/zinc/33/19/48/204331948.db2.gz GSCXBWOOPADCIB-UHFFFAOYSA-N -1 0 384.358 3.506 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2nn(Cc3ccccc3)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000017079190 204606848 /nfs/dbraw/zinc/60/68/48/204606848.db2.gz NPZRXFZLSOAUEU-JKSUJKDBSA-N -1 0 387.867 3.971 50 0 GHAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 ZINC000035114244 204983514 /nfs/dbraw/zinc/98/35/14/204983514.db2.gz JKVOXRBVYKSBFX-GOEBONIOSA-N -1 0 392.274 3.790 50 0 GHAARM O=C([O-])CCCNC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040313318 205061360 /nfs/dbraw/zinc/06/13/60/205061360.db2.gz HDUONPSUSGRNSE-UHFFFAOYSA-N -1 0 380.444 3.591 50 0 biogenic GHAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)ccc1O ZINC000040288439 205061809 /nfs/dbraw/zinc/06/18/09/205061809.db2.gz WLZNFEXISJNKNK-CQSZACIVSA-N -1 0 396.374 3.503 50 0 GHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055149383 205142845 /nfs/dbraw/zinc/14/28/45/205142845.db2.gz HXLBJTPZTCMPMA-ZWKOTPCHSA-N -1 0 378.428 3.853 50 0 GHAARM Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C(=O)[O-])c1 ZINC000060360593 205182287 /nfs/dbraw/zinc/18/22/87/205182287.db2.gz KELDIYVHLBFKJA-UHFFFAOYSA-N -1 0 396.424 3.521 50 0 GHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000064979487 205204866 /nfs/dbraw/zinc/20/48/66/205204866.db2.gz RZRIHSMLMAYOHA-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1c[nH]nc1C(=O)[O-])C2 ZINC000067654787 205252919 /nfs/dbraw/zinc/25/29/19/205252919.db2.gz BUTDCKCLCMXDFY-UHFFFAOYSA-N -1 0 399.472 3.548 50 0 GHAARM O=C([O-])COc1ccccc1CN1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067868927 205264112 /nfs/dbraw/zinc/26/41/12/205264112.db2.gz SOBTZOXITGIHHQ-UHFFFAOYSA-N -1 0 382.391 3.502 50 0 GHAARM COc1c(Br)c(C)sc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237277026 205681419 /nfs/dbraw/zinc/68/14/19/205681419.db2.gz YYLDHSJHXPWYDY-JTQLQIEISA-N -1 0 390.299 3.545 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000238067099 205686800 /nfs/dbraw/zinc/68/68/00/205686800.db2.gz AGBPAOOARASPPC-MSOLQXFVSA-N -1 0 385.410 3.713 50 0 GHAARM O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)c1cc(F)ccc1Cl ZINC000225468729 206051884 /nfs/dbraw/zinc/05/18/84/206051884.db2.gz LFXMHEYWQCFRTC-UHFFFAOYSA-N -1 0 398.872 3.690 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225507949 206053216 /nfs/dbraw/zinc/05/32/16/206053216.db2.gz YWAQIPVMZSCRFK-HXUWFJFHSA-N -1 0 388.427 3.562 50 0 GHAARM COc1ccc(C(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000225528253 206055080 /nfs/dbraw/zinc/05/50/80/206055080.db2.gz DOTRBEDBMCWCQN-UHFFFAOYSA-N -1 0 389.407 3.673 50 0 GHAARM N=C([N-]S(=O)(=O)c1ccccc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000261495034 206184012 /nfs/dbraw/zinc/18/40/12/206184012.db2.gz RJLQUZOTKMJPCJ-UHFFFAOYSA-N -1 0 398.193 3.711 50 0 GHAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000007054385 206220382 /nfs/dbraw/zinc/22/03/82/206220382.db2.gz UUHGRKXTZAEXBG-VAWYXSNFSA-N -1 0 376.865 3.645 50 0 GHAARM COc1cccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)c1 ZINC000000729679 220455244 /nfs/dbraw/zinc/45/52/44/220455244.db2.gz FVPGLRWDDAAXCV-WBVHZDCISA-N -1 0 377.849 3.690 50 0 GHAARM Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N[C@@H](C)C(=O)[O-])n2)cc1 ZINC000007498913 221000271 /nfs/dbraw/zinc/00/02/71/221000271.db2.gz MCYZSQALYBMAKK-AWEZNQCLSA-N -1 0 378.436 3.861 50 0 GHAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071714962 136165760 /nfs/dbraw/zinc/16/57/60/136165760.db2.gz JNSKDNRDMZDVAG-SFHVURJKSA-N -1 0 382.382 3.961 50 0 GHAARM O=C([O-])c1cc(N2CCC(c3nccn3CC3CC3)CC2)nc2ccccc21 ZINC000095520232 136181133 /nfs/dbraw/zinc/18/11/33/136181133.db2.gz KYIIHXHHGXTQLB-UHFFFAOYSA-N -1 0 376.460 3.924 50 0 GHAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCc1ccccc1 ZINC000000754763 538543282 /nfs/dbraw/zinc/54/32/82/538543282.db2.gz KLSNECTWBZBEPH-BWWMBTDCSA-N -1 0 383.447 3.911 50 0 GHAARM O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001065876 570239822 /nfs/dbraw/zinc/23/98/22/570239822.db2.gz LUYQCJMKHYKOIC-UHFFFAOYSA-N -1 0 390.848 3.664 50 0 GHAARM CCOC(=O)C(C[C@H](C(=O)OCC)C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000001725745 570267560 /nfs/dbraw/zinc/26/75/60/570267560.db2.gz FWWMZWILXXJXAE-OALUTQOASA-N -1 0 396.439 3.501 50 0 GHAARM O=C(Nc1nc2ccccc2s1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100298282 570270731 /nfs/dbraw/zinc/27/07/31/570270731.db2.gz QRQQYSPAWNLZPZ-UHFFFAOYSA-N -1 0 377.425 3.515 50 0 GHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000020614680 570272381 /nfs/dbraw/zinc/27/23/81/570272381.db2.gz WEAPZQXECZHOIG-UHFFFAOYSA-N -1 0 397.243 3.801 50 0 GHAARM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020745205 570279008 /nfs/dbraw/zinc/27/90/08/570279008.db2.gz ZZDBJRDRKUCNTB-HXUWFJFHSA-N -1 0 399.878 3.778 50 0 GHAARM CSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)CC(C(=O)[O-])=N2 ZINC000101446948 570283528 /nfs/dbraw/zinc/28/35/28/570283528.db2.gz MOWWOFLFVYVRKT-KRWDZBQOSA-N -1 0 394.456 3.562 50 0 GHAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br ZINC000002918363 570318495 /nfs/dbraw/zinc/31/84/95/570318495.db2.gz XYIVHHDZGBHHKW-NTEUORMPSA-N -1 0 380.625 3.958 50 0 GHAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F ZINC000000807766 570349628 /nfs/dbraw/zinc/34/96/28/570349628.db2.gz WUSNVOXWCRLSLK-YJBOKZPZSA-N -1 0 377.437 3.592 50 0 GHAARM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226934492 570375540 /nfs/dbraw/zinc/37/55/40/570375540.db2.gz MXFKKMXYRDBUCK-QRWLVFNGSA-N -1 0 378.428 3.757 50 0 GHAARM Cc1nc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])oc1-c1ccccc1 ZINC000237712519 570391659 /nfs/dbraw/zinc/39/16/59/570391659.db2.gz PQRPQPOAJSHUHE-IBGZPJMESA-N -1 0 390.439 3.621 50 0 GHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000237929684 570414126 /nfs/dbraw/zinc/41/41/26/570414126.db2.gz HJNUCSWIQZLLIP-INIZCTEOSA-N -1 0 376.840 3.783 50 0 GHAARM Cc1cc(-n2ncc(=O)[n-]c2=O)cc(Cl)c1Sc1ccc(Cl)cc1 ZINC000028763985 570464184 /nfs/dbraw/zinc/46/41/84/570464184.db2.gz HKVUWQVCEBWYHU-UHFFFAOYSA-N -1 0 380.256 3.687 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136130107 570472109 /nfs/dbraw/zinc/47/21/09/570472109.db2.gz CFNNZQOBHGPERX-LBPRGKRZSA-N -1 0 394.880 3.621 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002748634 570513120 /nfs/dbraw/zinc/51/31/20/570513120.db2.gz PYBWIVRQHRNOEB-KGLIPLIRSA-N -1 0 379.478 3.790 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)[O-] ZINC000001176387 570535200 /nfs/dbraw/zinc/53/52/00/570535200.db2.gz RCBAVIICQDQUSE-VXGBXAGGSA-N -1 0 385.869 3.714 50 0 GHAARM CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000005444379 570595352 /nfs/dbraw/zinc/59/53/52/570595352.db2.gz FQWHHZPGVZZHNZ-UHFFFAOYSA-N -1 0 376.368 3.528 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1C ZINC000003135955 570680903 /nfs/dbraw/zinc/68/09/03/570680903.db2.gz LVUPLCNWJHESQS-UHFFFAOYSA-N -1 0 377.466 3.611 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013251076 570751531 /nfs/dbraw/zinc/75/15/31/570751531.db2.gz YATDCRZPFLHHPE-AWEZNQCLSA-N -1 0 375.446 3.739 50 0 GHAARM CC(C)C(NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(C)C ZINC000013678585 570772559 /nfs/dbraw/zinc/77/25/59/570772559.db2.gz KVKDLTMLCIJTBW-UHFFFAOYSA-N -1 0 380.535 3.959 50 0 GHAARM O=C([O-])CCSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000001208084 570793880 /nfs/dbraw/zinc/79/38/80/570793880.db2.gz ZBOPIODORYUGDW-UHFFFAOYSA-N -1 0 384.438 3.664 50 0 GHAARM C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cc2ccccc2o1 ZINC000170066379 570799368 /nfs/dbraw/zinc/79/93/68/570799368.db2.gz WVUSFQULRNDJCW-ACJLOTCBSA-N -1 0 376.412 3.830 50 0 GHAARM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2s1 ZINC000033116467 570814144 /nfs/dbraw/zinc/81/41/44/570814144.db2.gz HPKFCPXFJDFYAI-UHFFFAOYSA-N -1 0 381.504 3.753 50 0 GHAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167014 570815023 /nfs/dbraw/zinc/81/50/23/570815023.db2.gz DMAODUWHGHUAPL-CABCVRRESA-N -1 0 393.205 3.626 50 0 GHAARM CCCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1O ZINC000012521052 570828055 /nfs/dbraw/zinc/82/80/55/570828055.db2.gz WXUPATKZFFGXCG-UHFFFAOYSA-N -1 0 392.477 3.720 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)-c1oncc1CO2 ZINC000033171250 570835678 /nfs/dbraw/zinc/83/56/78/570835678.db2.gz KXTYFMLLPQHIKZ-UHFFFAOYSA-N -1 0 392.820 3.697 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)cc1Cl ZINC000007387456 570836068 /nfs/dbraw/zinc/83/60/68/570836068.db2.gz MYAGXFBNPXRTSQ-UHFFFAOYSA-N -1 0 380.224 3.951 50 0 GHAARM CCC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000170592288 570851318 /nfs/dbraw/zinc/85/13/18/570851318.db2.gz OXPBJKZANJNGPD-GFCCVEGCSA-N -1 0 380.853 3.637 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccccc2)C1 ZINC000102901137 570870875 /nfs/dbraw/zinc/87/08/75/570870875.db2.gz OZNYPTHBMCZDNU-QGZVFWFLSA-N -1 0 394.818 3.772 50 0 GHAARM CCn1ncc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3N2)c1C ZINC000170625862 570882930 /nfs/dbraw/zinc/88/29/30/570882930.db2.gz SQFLGYVEJOWYHK-QGZVFWFLSA-N -1 0 378.432 3.856 50 0 GHAARM CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CCl ZINC000253425430 570886061 /nfs/dbraw/zinc/88/60/61/570886061.db2.gz TZUCIVVUUGIQAA-UHFFFAOYSA-N -1 0 383.853 3.712 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C)c1 ZINC000012605470 570888628 /nfs/dbraw/zinc/88/86/28/570888628.db2.gz NINKGMTUTKZKJZ-OAHLLOKOSA-N -1 0 388.489 3.511 50 0 GHAARM O=S(=O)([N-]c1cn(Cc2ccccc2)nn1)c1ccccc1-c1ccccc1 ZINC000190161237 570907217 /nfs/dbraw/zinc/90/72/17/570907217.db2.gz GBORQZPKNKEAFI-UHFFFAOYSA-N -1 0 390.468 3.794 50 0 GHAARM O=c1nc(SCc2nc(-c3ccccc3Cl)no2)[n-]c2ccsc21 ZINC000016842914 570913521 /nfs/dbraw/zinc/91/35/21/570913521.db2.gz QCDJAJPVXCIMOI-UHFFFAOYSA-N -1 0 376.850 3.980 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000016777319 570933061 /nfs/dbraw/zinc/93/30/61/570933061.db2.gz SCRMDFZASMNZMV-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)[n-]c2=O)cc1 ZINC000016806831 570933504 /nfs/dbraw/zinc/93/35/04/570933504.db2.gz CWGADUMAYSCGMA-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM CC(C)NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000017080677 570941250 /nfs/dbraw/zinc/94/12/50/570941250.db2.gz SJHNAKHYQHPONL-LBPRGKRZSA-N -1 0 394.537 3.841 50 0 GHAARM COc1ccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC000237172949 570943823 /nfs/dbraw/zinc/94/38/23/570943823.db2.gz QYIYLGNRYRBWCX-UHFFFAOYSA-N -1 0 375.852 3.785 50 0 GHAARM CCc1ccc(OCn2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cn2)cc1 ZINC000002804839 570950481 /nfs/dbraw/zinc/95/04/81/570950481.db2.gz WAXQFXPBKVJLQT-UHFFFAOYSA-N -1 0 391.880 3.936 50 0 GHAARM CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000252498861 570976919 /nfs/dbraw/zinc/97/69/19/570976919.db2.gz ROFPXXVREJVNTO-UHFFFAOYSA-N -1 0 385.489 3.592 50 0 GHAARM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012752518 571005999 /nfs/dbraw/zinc/00/59/99/571005999.db2.gz BBLNWUPNPIBALF-NEPJUHHUSA-N -1 0 389.429 3.790 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)cc1 ZINC000095360095 571054658 /nfs/dbraw/zinc/05/46/58/571054658.db2.gz SPZABRCDOFTZLE-HNNXBMFYSA-N -1 0 379.865 3.607 50 0 GHAARM COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](c4ccccc4)CC3)n2)cc1 ZINC000177145524 836048992 /nfs/dbraw/zinc/04/89/92/836048992.db2.gz NYNJGDTXPUVKJF-GOSISDBHSA-N -1 0 391.471 3.996 50 0 GHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002502575 861225114 /nfs/dbraw/zinc/22/51/14/861225114.db2.gz HQWXHTVTKRGTHQ-FQEVSTJZSA-N -1 0 394.452 3.700 50 0 GHAARM Cc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc(C)c1C(=O)[O-] ZINC000002750739 861577114 /nfs/dbraw/zinc/57/71/14/861577114.db2.gz IINMLHJHHFIINU-UHFFFAOYSA-N -1 0 393.333 3.554 50 0 GHAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000002925486 861799507 /nfs/dbraw/zinc/79/95/07/861799507.db2.gz VNDFWVHHCJQXMH-UHFFFAOYSA-N -1 0 399.541 3.876 50 0 GHAARM CSCC[C@H](NC(=O)c1sc(-c2ccccc2Cl)nc1C)C(=O)[O-] ZINC000206402873 849996068 /nfs/dbraw/zinc/99/60/68/849996068.db2.gz FLHZIOFDGAVJHJ-LBPRGKRZSA-N -1 0 384.910 3.708 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000057769614 862238818 /nfs/dbraw/zinc/23/88/18/862238818.db2.gz UQZJBNNVHWEJOS-UHFFFAOYSA-N -1 0 377.315 3.652 50 0 GHAARM COc1ccc(Cl)cc1/C=C\C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000008186855 856045210 /nfs/dbraw/zinc/04/52/10/856045210.db2.gz CJQUYACCKJNKOK-DAXSKMNVSA-N -1 0 391.807 3.716 50 0 GHAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009009264 856697741 /nfs/dbraw/zinc/69/77/41/856697741.db2.gz KVZMXECDBIULJC-VHEBQXMUSA-N -1 0 375.428 3.534 50 0 GHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1Cl ZINC000009355923 857163366 /nfs/dbraw/zinc/16/33/66/857163366.db2.gz XAVMUSLDJCZWSG-UHFFFAOYSA-N -1 0 380.897 3.978 50 0 GHAARM O=C(Nc1nc2ccccc2[nH]1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000009858339 857358901 /nfs/dbraw/zinc/35/89/01/857358901.db2.gz MZTLGWQIVSZPBZ-UHFFFAOYSA-N -1 0 398.469 3.678 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000004317381 862957908 /nfs/dbraw/zinc/95/79/08/862957908.db2.gz ATDBFWOEPZWJPR-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000008025179 863011078 /nfs/dbraw/zinc/01/10/78/863011078.db2.gz RPKQMNJBZUNFGX-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000002410975 858460394 /nfs/dbraw/zinc/46/03/94/858460394.db2.gz VAYORNNSEGAOIE-QFIPXVFZSA-N -1 0 388.467 3.814 50 0 GHAARM O=C(COc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002268211 860470558 /nfs/dbraw/zinc/47/05/58/860470558.db2.gz DWSABBUJDZENGM-UHFFFAOYSA-N -1 0 394.663 3.531 50 0 GHAARM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2OCC(F)F)C1 ZINC000563582872 860487753 /nfs/dbraw/zinc/48/77/53/860487753.db2.gz JTBRFBXYUMJZHP-SNVBAGLBSA-N -1 0 376.787 3.703 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccc(F)cc3)C(F)(F)F)cc2=O)cc1 ZINC000467553553 865491748 /nfs/dbraw/zinc/49/17/48/865491748.db2.gz KEUODPRSBIYUCB-QGZVFWFLSA-N -1 0 393.340 3.647 50 0 GHAARM COc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1OC(F)F ZINC000621587991 885301063 /nfs/dbraw/zinc/30/10/63/885301063.db2.gz NRQZWRCOOWHKJK-GJZGRUSLSA-N -1 0 391.370 3.727 50 0 GHAARM O=C(C=Cc1ccco1)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012938009 928235571 /nfs/dbraw/zinc/23/55/71/928235571.db2.gz AXVIXGPPQUFGBA-CMDGGOBGSA-N -1 0 391.452 3.820 50 0 GHAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)[O-])c(C)c3cc12 ZINC000002107403 206291501 /nfs/dbraw/zinc/29/15/01/206291501.db2.gz KPKDBTNUDXHPAF-UHFFFAOYSA-N -1 0 399.443 3.850 50 0 biogenic GHAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000000644948 206311883 /nfs/dbraw/zinc/31/18/83/206311883.db2.gz LJDMFQZNRGJEDC-GOSISDBHSA-N -1 0 394.427 3.656 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000000669623 206314460 /nfs/dbraw/zinc/31/44/60/206314460.db2.gz IZTOXBAVGARGNF-IAGOWNOFSA-N -1 0 399.497 3.686 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000000665769 206314638 /nfs/dbraw/zinc/31/46/38/206314638.db2.gz KVLYKZYMQDDCPE-UHFFFAOYSA-N -1 0 382.688 3.973 50 0 GHAARM CCCn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccsc2c(=O)[nH]1 ZINC000009458411 206329651 /nfs/dbraw/zinc/32/96/51/206329651.db2.gz VXEAFJIJYQNIAT-UHFFFAOYSA-N -1 0 397.431 3.939 50 0 GHAARM COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])cc1OC ZINC000001027699 206342931 /nfs/dbraw/zinc/34/29/31/206342931.db2.gz XPPQGDPQFBHQHL-UHFFFAOYSA-N -1 0 385.294 3.553 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000001074255 206349986 /nfs/dbraw/zinc/34/99/86/206349986.db2.gz JTZBFNAVQXFLRH-UHFFFAOYSA-N -1 0 382.441 3.748 50 0 GHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000001156730 206360716 /nfs/dbraw/zinc/36/07/16/206360716.db2.gz JBXRTKUJCATKBR-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000001152558 206361251 /nfs/dbraw/zinc/36/12/51/206361251.db2.gz DHEBGHXBPJASBR-UHFFFAOYSA-N -1 0 388.489 3.559 50 0 GHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000001160136 206362456 /nfs/dbraw/zinc/36/24/56/206362456.db2.gz UHTBASAYNMYARJ-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM O=C([O-])c1cccnc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1C(F)(F)F ZINC000004390179 206518763 /nfs/dbraw/zinc/51/87/63/206518763.db2.gz FIULAEFIKIHSLO-INIZCTEOSA-N -1 0 389.333 3.563 50 0 GHAARM CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nc(CC(=O)[O-])cs2)cc1 ZINC000012920775 206953241 /nfs/dbraw/zinc/95/32/41/206953241.db2.gz VIHKBYKUXNUFLJ-ZDUSSCGKSA-N -1 0 392.546 3.938 50 0 GHAARM CSCC[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012985879 206959941 /nfs/dbraw/zinc/95/99/41/206959941.db2.gz ITSPMXNOBKYVNG-IRXDYDNUSA-N -1 0 375.515 3.843 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 ZINC000015861945 207064913 /nfs/dbraw/zinc/06/49/13/207064913.db2.gz TXEMPJVVOQTNOC-UHFFFAOYSA-N -1 0 381.866 3.574 50 0 GHAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017077605 207082773 /nfs/dbraw/zinc/08/27/73/207082773.db2.gz MPUGRGRMKSPJKT-RLNQVHQUSA-N -1 0 379.478 3.563 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)no1 ZINC000017079599 207084211 /nfs/dbraw/zinc/08/42/11/207084211.db2.gz JHHLYCUDFLTAGW-UHFFFAOYSA-N -1 0 390.396 3.567 50 0 GHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000017248190 207087816 /nfs/dbraw/zinc/08/78/16/207087816.db2.gz ZHBAYUYWUSIIKU-UHFFFAOYSA-N -1 0 384.910 3.892 50 0 GHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(C)cc1)CCCCC2 ZINC000018269690 207096709 /nfs/dbraw/zinc/09/67/09/207096709.db2.gz IAGJSJCAEDTWCY-UHFFFAOYSA-N -1 0 379.503 3.913 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1 ZINC000020580214 207204121 /nfs/dbraw/zinc/20/41/21/207204121.db2.gz NYMNDIIDSVLJKD-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM O=C([O-])c1ccc([C@@H]2SC=C3Sc4nnc(-c5ccccc5)n4N32)cc1 ZINC000020715868 207210702 /nfs/dbraw/zinc/21/07/02/207210702.db2.gz FEJBPYYETGGQND-INIZCTEOSA-N -1 0 380.454 3.932 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1nc(-c2cccnc2)no1)c1ccccc1 ZINC000022462329 207254946 /nfs/dbraw/zinc/25/49/46/207254946.db2.gz BYJZHFCHYTYLSF-UHFFFAOYSA-N -1 0 378.413 3.599 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000027526156 207325924 /nfs/dbraw/zinc/32/59/24/207325924.db2.gz FPQWHQOACBEOBB-UHFFFAOYSA-N -1 0 380.473 3.900 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1C ZINC000040105263 207340918 /nfs/dbraw/zinc/34/09/18/207340918.db2.gz SXWJDWCSMBEAJH-UHFFFAOYSA-N -1 0 382.869 3.522 50 0 GHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccccc1F ZINC000032032849 207389798 /nfs/dbraw/zinc/38/97/98/207389798.db2.gz SVGGRTJSXKYGKU-UHFFFAOYSA-N -1 0 390.461 3.869 50 0 GHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cnc21 ZINC000032097972 207391908 /nfs/dbraw/zinc/39/19/08/207391908.db2.gz HINASJGUHBKXOM-UHFFFAOYSA-N -1 0 384.383 3.832 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000035325491 207485124 /nfs/dbraw/zinc/48/51/24/207485124.db2.gz FVIMGGXCGKFOQR-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM C[C@H](Sc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1)C(=O)[O-] ZINC000064987315 207825714 /nfs/dbraw/zinc/82/57/14/207825714.db2.gz CPQXLUBKKNNBHU-ZDUSSCGKSA-N -1 0 397.456 3.661 50 0 GHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003790 207827333 /nfs/dbraw/zinc/82/73/33/207827333.db2.gz IYHJGOOVTXNWED-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1 ZINC000066087886 207878628 /nfs/dbraw/zinc/87/86/28/207878628.db2.gz XRIBKVUXEIRBMB-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM CCOC(=O)c1ccc2nc(C)cc(NC(=O)Cc3ccccc3C(=O)[O-])c2c1 ZINC000072401074 208014081 /nfs/dbraw/zinc/01/40/81/208014081.db2.gz NAKRHZCSPADSGX-UHFFFAOYSA-N -1 0 392.411 3.599 50 0 GHAARM CCOC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c([O-])c2ccccc2[nH]c1=O ZINC000072405410 208015784 /nfs/dbraw/zinc/01/57/84/208015784.db2.gz ZLZNOMFPHOZNBV-LBPRGKRZSA-N -1 0 391.345 3.736 50 0 GHAARM CN(Cc1nc(C(F)(F)F)no1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000089364881 208103784 /nfs/dbraw/zinc/10/37/84/208103784.db2.gz CVYAVWRMFVQWIU-UHFFFAOYSA-N -1 0 385.729 3.873 50 0 GHAARM CCc1noc(-c2cc(Cl)ccc2[N-]S(=O)(=O)c2cc(C)ccc2O)n1 ZINC000089295477 208104105 /nfs/dbraw/zinc/10/41/05/208104105.db2.gz BHMRUMXCLSRAOO-UHFFFAOYSA-N -1 0 393.852 3.767 50 0 GHAARM CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCCC ZINC000095945913 208242023 /nfs/dbraw/zinc/24/20/23/208242023.db2.gz BSMDHUMCEGIGFY-UHFFFAOYSA-N -1 0 393.461 3.763 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000096322210 208307115 /nfs/dbraw/zinc/30/71/15/208307115.db2.gz ZHZQKWQYVJRERS-UHFFFAOYSA-N -1 0 387.436 3.632 50 0 GHAARM CSc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)cc1 ZINC000096379593 208312261 /nfs/dbraw/zinc/31/22/61/208312261.db2.gz IOMJTTYQNXSLEC-UHFFFAOYSA-N -1 0 378.479 3.513 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)cc4)c=3c2=O)c1 ZINC000101078050 208384654 /nfs/dbraw/zinc/38/46/54/208384654.db2.gz HQDVQKPLHVRCNH-JKSUJKDBSA-N -1 0 399.248 3.564 50 0 GHAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100220562 208373199 /nfs/dbraw/zinc/37/31/99/208373199.db2.gz LDJKSDUZRWZBHR-UHFFFAOYSA-N -1 0 388.345 3.924 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000100602533 208376122 /nfs/dbraw/zinc/37/61/22/208376122.db2.gz RLHMKMYPQSCWMU-UHFFFAOYSA-N -1 0 380.488 3.816 50 0 GHAARM Cc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C1=O ZINC000101359181 208392887 /nfs/dbraw/zinc/39/28/87/208392887.db2.gz YQFQEEHBPLXGRA-GOEBONIOSA-N -1 0 375.211 3.594 50 0 GHAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002157669 208501621 /nfs/dbraw/zinc/50/16/21/208501621.db2.gz AODXGIFIDRWVLU-GIPWTMENSA-N -1 0 399.443 3.704 50 0 biogenic GHAARM CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000001159341 220480556 /nfs/dbraw/zinc/48/05/56/220480556.db2.gz OTHCBOJWAHZJGK-UHFFFAOYSA-N -1 0 392.864 3.952 50 0 GHAARM Cn1c(SCc2cc(=O)oc3cc([O-])c(Cl)cc23)nnc1C(F)(F)F ZINC000007985614 221018918 /nfs/dbraw/zinc/01/89/18/221018918.db2.gz YVOVIHKULJEPBE-UHFFFAOYSA-N -1 0 391.758 3.592 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000009151996 221071819 /nfs/dbraw/zinc/07/18/19/221071819.db2.gz ZAFSNWUGNZFWRN-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)c1 ZINC000015858795 221348762 /nfs/dbraw/zinc/34/87/62/221348762.db2.gz RNUHEQRCSLMMKQ-UHFFFAOYSA-N -1 0 398.488 3.734 50 0 GHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000012180370 136199941 /nfs/dbraw/zinc/19/99/41/136199941.db2.gz DBFZBHNTWKRKMV-UHFFFAOYSA-N -1 0 378.881 3.830 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C(C)C)nn32)c1 ZINC000065183857 222107918 /nfs/dbraw/zinc/10/79/18/222107918.db2.gz YGCIHJGLRUQDBK-UHFFFAOYSA-N -1 0 382.536 3.745 50 0 GHAARM Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000049004607 570262133 /nfs/dbraw/zinc/26/21/33/570262133.db2.gz ILRMFGJHQKDUOA-UHFFFAOYSA-N -1 0 390.443 3.545 50 0 GHAARM CC(C)CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000002436999 570287048 /nfs/dbraw/zinc/28/70/48/570287048.db2.gz UYCRIDSVZOEZHQ-UHFFFAOYSA-N -1 0 376.507 3.950 50 0 GHAARM COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000002830660 570305397 /nfs/dbraw/zinc/30/53/97/570305397.db2.gz QSSHNBMUKSPJHC-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c1C ZINC000035378091 570346378 /nfs/dbraw/zinc/34/63/78/570346378.db2.gz IJGDKADOHYMMLH-UHFFFAOYSA-N -1 0 389.864 3.508 50 0 GHAARM CC(C)(C)c1ccc(-c2n[nH]c3c2CN(C(=O)CCc2cc(=O)[n-]o2)CC3)cc1 ZINC000023310319 570354030 /nfs/dbraw/zinc/35/40/30/570354030.db2.gz VGBBIUQDVJDIPU-UHFFFAOYSA-N -1 0 394.475 3.585 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)n1 ZINC000100630027 570418385 /nfs/dbraw/zinc/41/83/85/570418385.db2.gz RRPXVVGYPVFRRS-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000005145105 570426351 /nfs/dbraw/zinc/42/63/51/570426351.db2.gz FMDKWHGHDAIIGL-UHFFFAOYSA-N -1 0 396.852 3.532 50 0 GHAARM CCCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005100895 570429237 /nfs/dbraw/zinc/42/92/37/570429237.db2.gz WOHGJIWWPZOXPP-ODMWJAAVSA-N -1 0 389.451 3.522 50 0 GHAARM Cc1cccc2c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c[nH]c21 ZINC000237835842 570443349 /nfs/dbraw/zinc/44/33/49/570443349.db2.gz IIGCROBDLKLLKZ-UHFFFAOYSA-N -1 0 376.456 3.664 50 0 GHAARM COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1C(=O)CCCC(=O)[O-] ZINC000006476288 570446573 /nfs/dbraw/zinc/44/65/73/570446573.db2.gz TXRSVPKXJVUQCA-LJQANCHMSA-N -1 0 380.444 3.936 50 0 GHAARM CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000005719111 570453131 /nfs/dbraw/zinc/45/31/31/570453131.db2.gz RYVBQGXBCBMJRF-ZDUSSCGKSA-N -1 0 387.432 3.933 50 0 GHAARM COc1ccc(C(C)=O)cc1CC1C(=O)N=C(SCc2ccccc2)N=C1[O-] ZINC000008575365 570535017 /nfs/dbraw/zinc/53/50/17/570535017.db2.gz ZLGZMCKCBGFSJJ-UHFFFAOYSA-N -1 0 396.468 3.982 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cccc(C)c3C)c(Cl)cc21 ZINC000006779696 570587720 /nfs/dbraw/zinc/58/77/20/570587720.db2.gz HACCETVMTJLCIQ-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc1 ZINC000064920399 570591076 /nfs/dbraw/zinc/59/10/76/570591076.db2.gz WYXKVOVXLLYUPT-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM CCc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397479 570601627 /nfs/dbraw/zinc/60/16/27/570601627.db2.gz NBQNCTCWINVWKI-NSHDSACASA-N -1 0 396.834 3.573 50 0 GHAARM O=C([O-])c1cc(N2CCCCCC2)ccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033007136 570620080 /nfs/dbraw/zinc/62/00/80/570620080.db2.gz MYOVDIAVBKIXFD-UHFFFAOYSA-N -1 0 392.452 3.705 50 0 GHAARM O=C([O-])CCCCCNC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21 ZINC000036358463 570639358 /nfs/dbraw/zinc/63/93/58/570639358.db2.gz NERDFILMZIGHDV-UHFFFAOYSA-N -1 0 394.471 3.982 50 0 GHAARM CC(C)Oc1ccccc1CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000236660496 570677431 /nfs/dbraw/zinc/67/74/31/570677431.db2.gz FKDYYGQMXIMPSP-UHFFFAOYSA-N -1 0 391.414 3.798 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC(C)(C)C)c1 ZINC000012630324 570692810 /nfs/dbraw/zinc/69/28/10/570692810.db2.gz LELOKYMMLGQFKH-UHFFFAOYSA-N -1 0 392.477 3.576 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)o1 ZINC000065194059 570725734 /nfs/dbraw/zinc/72/57/34/570725734.db2.gz GUWLIFAMVQGIOT-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194093 570725789 /nfs/dbraw/zinc/72/57/89/570725789.db2.gz FMQRXCGCXUFUOX-UHFFFAOYSA-N -1 0 392.506 3.523 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccccc2Cl)c3[O-])cc1 ZINC000065249987 570748579 /nfs/dbraw/zinc/74/85/79/570748579.db2.gz HVJNUAPZCAHLKF-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM COc1cc(-c2nc3cnccn3c2Nc2cccc(C(=O)[O-])c2)ccc1O ZINC000065322788 570800656 /nfs/dbraw/zinc/80/06/56/570800656.db2.gz HKTKTJYQFCSEAA-UHFFFAOYSA-N -1 0 376.372 3.552 50 0 GHAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccccc1Cl ZINC000170091731 570805126 /nfs/dbraw/zinc/80/51/26/570805126.db2.gz BDQVINFHMRLKGC-MRXNPFEDSA-N -1 0 375.787 3.778 50 0 GHAARM COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000032778622 570811785 /nfs/dbraw/zinc/81/17/85/570811785.db2.gz JMLPFFGGAWLWFP-UHFFFAOYSA-N -1 0 396.472 3.600 50 0 GHAARM O=C([O-])c1cccc(CN2C(=O)S[C@H](Nc3ccc(Cl)cc3)C2=O)c1 ZINC000004669009 570813230 /nfs/dbraw/zinc/81/32/30/570813230.db2.gz ABIIFLRICPTVKS-AWEZNQCLSA-N -1 0 376.821 3.672 50 0 GHAARM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000012520879 570827659 /nfs/dbraw/zinc/82/76/59/570827659.db2.gz GAICCBIGCJBIEY-UHFFFAOYSA-N -1 0 398.872 3.560 50 0 GHAARM Cn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(Cl)cc3)C3CC3)cc2[n-]c1=S ZINC000102180265 570842548 /nfs/dbraw/zinc/84/25/48/570842548.db2.gz HALXJZFLQAEMJE-KRWDZBQOSA-N -1 0 399.903 3.757 50 0 GHAARM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000032833526 570845553 /nfs/dbraw/zinc/84/55/53/570845553.db2.gz GCWYURJKHLRQSZ-UHFFFAOYSA-N -1 0 396.871 3.824 50 0 GHAARM COc1cccc(Cn2c(C)c3c(cc2=O)[n-]n(-c2ccc(Cl)cc2)c3=O)c1 ZINC000102492511 570849637 /nfs/dbraw/zinc/84/96/37/570849637.db2.gz KEDGJVMKTDRBJX-UHFFFAOYSA-N -1 0 395.846 3.863 50 0 GHAARM O=C([O-])C1(Cc2ccccc2Cl)CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000071765260 570851459 /nfs/dbraw/zinc/85/14/59/570851459.db2.gz LPMXADHQPGZASU-UHFFFAOYSA-N -1 0 397.862 3.766 50 0 GHAARM Cc1nc(=O)c(Nc2ccc(C(=O)[O-])cc2)nn1-c1cc(Cl)ccc1Cl ZINC000004707445 570854965 /nfs/dbraw/zinc/85/49/65/570854965.db2.gz JOACTSBERHVUGJ-UHFFFAOYSA-N -1 0 391.214 3.685 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253366 570861351 /nfs/dbraw/zinc/86/13/51/570861351.db2.gz ZOQIYTSNHAWQMN-UHFFFAOYSA-N -1 0 380.441 3.561 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)NC3(c4ccccc4)CCC3)cc2[n-]c1=S ZINC000102761180 570863262 /nfs/dbraw/zinc/86/32/62/570863262.db2.gz NPPFIHOYKHKRPG-UHFFFAOYSA-N -1 0 379.485 3.514 50 0 GHAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000102818633 570865306 /nfs/dbraw/zinc/86/53/06/570865306.db2.gz WUNPXYSLXAANRA-IAGOWNOFSA-N -1 0 384.823 3.545 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102818535 570865376 /nfs/dbraw/zinc/86/53/76/570865376.db2.gz NDXJMMADIJLPDS-CVEARBPZSA-N -1 0 388.349 3.820 50 0 GHAARM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000012563579 570868861 /nfs/dbraw/zinc/86/88/61/570868861.db2.gz XMNYTFSQARRUDT-GASCZTMLSA-N -1 0 390.480 3.745 50 0 GHAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004573321 570897661 /nfs/dbraw/zinc/89/76/61/570897661.db2.gz JSSARJZMIKOZJM-YOEHRIQHSA-N -1 0 397.855 3.855 50 0 GHAARM CC(C)(C)c1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004572008 570899131 /nfs/dbraw/zinc/89/91/31/570899131.db2.gz WHVNNPAYVMRTLJ-QZTJIDSGSA-N -1 0 385.485 3.992 50 0 GHAARM CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004572009 570899577 /nfs/dbraw/zinc/89/95/77/570899577.db2.gz WHVNNPAYVMRTLJ-MSOLQXFVSA-N -1 0 385.485 3.992 50 0 GHAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cs2)no1 ZINC000006681792 570938225 /nfs/dbraw/zinc/93/82/25/570938225.db2.gz JHRCHRMFHOOQHP-UHFFFAOYSA-N -1 0 397.865 3.751 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000238068668 570945297 /nfs/dbraw/zinc/94/52/97/570945297.db2.gz JBDWFKFXOMVPMP-UONOGXRCSA-N -1 0 386.275 3.579 50 0 GHAARM CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000033294627 570961687 /nfs/dbraw/zinc/96/16/87/570961687.db2.gz SBRRJCDMTOLRNI-QPEQYQDCSA-N -1 0 399.852 3.647 50 0 GHAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240636 570994973 /nfs/dbraw/zinc/99/49/73/570994973.db2.gz SMUOKBCQBWCMSA-INIZCTEOSA-N -1 0 395.455 3.891 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2C ZINC000046053921 571015499 /nfs/dbraw/zinc/01/54/99/571015499.db2.gz VANFPGAYEBFZBY-UHFFFAOYSA-N -1 0 386.473 3.656 50 0 GHAARM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000078751741 834353802 /nfs/dbraw/zinc/35/38/02/834353802.db2.gz ONRQREGDAHIYSJ-UHFFFAOYSA-N -1 0 383.344 3.713 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc(C(F)(F)F)c1 ZINC000057769660 862238580 /nfs/dbraw/zinc/23/85/80/862238580.db2.gz ZWUMAIVHJQQGDW-UHFFFAOYSA-N -1 0 385.363 3.693 50 0 GHAARM O=C(NCc1ccco1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630416 862532906 /nfs/dbraw/zinc/53/29/06/862532906.db2.gz AFVNOSCRPBUWEO-UHFFFAOYSA-N -1 0 391.452 3.630 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(F)ccc2s1 ZINC000008429581 856208003 /nfs/dbraw/zinc/20/80/03/856208003.db2.gz DERGCPURSFBAHB-INIZCTEOSA-N -1 0 382.416 3.947 50 0 GHAARM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000008840820 856380580 /nfs/dbraw/zinc/38/05/80/856380580.db2.gz CIDPYMOSRIMKBP-UHFFFAOYSA-N -1 0 376.453 3.562 50 0 GHAARM O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000040108606 856665172 /nfs/dbraw/zinc/66/51/72/856665172.db2.gz ZHENCSTVNNMRJN-UHFFFAOYSA-N -1 0 393.390 3.989 50 0 GHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1 ZINC000009684531 857304909 /nfs/dbraw/zinc/30/49/09/857304909.db2.gz HRITWKMPBSIRIO-UHFFFAOYSA-N -1 0 389.521 3.621 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)c3ccsc3Cl)cc2)CC1 ZINC000668275923 859650923 /nfs/dbraw/zinc/65/09/23/859650923.db2.gz DEZHXBXHUCIFOG-UHFFFAOYSA-N -1 0 392.864 3.591 50 0 GHAARM O=c1nc(CSc2nnc(NCc3ccccc3)s2)[n-]c2ccsc21 ZINC000006309646 882027428 /nfs/dbraw/zinc/02/74/28/882027428.db2.gz KQNMVHZPIBJMNP-UHFFFAOYSA-N -1 0 387.515 3.741 50 0 GHAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000190992791 887362909 /nfs/dbraw/zinc/36/29/09/887362909.db2.gz CTGKWJSUFIERLP-MRXNPFEDSA-N -1 0 394.418 3.530 50 0 GHAARM COc1ccc(CNC(=O)C2(c3ccc(F)cc3F)CCCC2)cc1C(=O)[O-] ZINC000190508857 906080273 /nfs/dbraw/zinc/08/02/73/906080273.db2.gz ZCQXGPQMYLRXHD-UHFFFAOYSA-N -1 0 389.398 3.800 50 0 GHAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)NCCCc4ccccc4)c(=O)n1c23 ZINC000006166562 916529102 /nfs/dbraw/zinc/52/91/02/916529102.db2.gz LSULBJMJYUGLHI-CQSZACIVSA-N -1 0 394.446 3.716 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000763007 206320470 /nfs/dbraw/zinc/32/04/70/206320470.db2.gz QFQFDOUGEWNQKE-UJKMTWAASA-N -1 0 395.414 3.781 50 0 GHAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000001159649 206362417 /nfs/dbraw/zinc/36/24/17/206362417.db2.gz ZCEZPFBJOYFBFE-UHFFFAOYSA-N -1 0 386.473 3.818 50 0 GHAARM CC[C@H](C(=O)[O-])n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784730 206392274 /nfs/dbraw/zinc/39/22/74/206392274.db2.gz KUYNWHILKZJSFU-CQSZACIVSA-N -1 0 399.472 3.671 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002748633 206432383 /nfs/dbraw/zinc/43/23/83/206432383.db2.gz PYBWIVRQHRNOEB-KBPBESRZSA-N -1 0 379.478 3.790 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000004317351 206514131 /nfs/dbraw/zinc/51/41/31/206514131.db2.gz KKDFDHGKUJQQNP-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004698454 206544011 /nfs/dbraw/zinc/54/40/11/206544011.db2.gz UKXMBPYSLYIHHU-SFHVURJKSA-N -1 0 375.490 3.620 50 0 GHAARM O=C([O-])c1ccccc1SCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012937328 206956138 /nfs/dbraw/zinc/95/61/38/206956138.db2.gz NLYKDMGOLKZZAZ-MRXNPFEDSA-N -1 0 399.468 3.612 50 0 GHAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(CCc2ccccc2)C3)c1C ZINC000020567643 207202105 /nfs/dbraw/zinc/20/21/05/207202105.db2.gz LWOYLDNGRDGMGT-UHFFFAOYSA-N -1 0 392.528 3.940 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1OC ZINC000021033322 207224000 /nfs/dbraw/zinc/22/40/00/207224000.db2.gz IMOGLGZSULAFQJ-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)n1 ZINC000021801950 207238379 /nfs/dbraw/zinc/23/83/79/207238379.db2.gz PKKRTQZTWXKSTF-UHFFFAOYSA-N -1 0 396.394 3.851 50 0 GHAARM COc1ccc(-c2ccc(S(=O)(=O)NCc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000036293924 207520741 /nfs/dbraw/zinc/52/07/41/207520741.db2.gz QVOYNMQWWYYZBY-UHFFFAOYSA-N -1 0 397.452 3.539 50 0 GHAARM CCOc1cccc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)[O-])c1 ZINC000040139853 207583044 /nfs/dbraw/zinc/58/30/44/207583044.db2.gz DTNXYDODYGQRCH-OUKQBFOZSA-N -1 0 378.428 3.830 50 0 GHAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(C)n2C)n1 ZINC000064668275 207805171 /nfs/dbraw/zinc/80/51/71/207805171.db2.gz MTDJQMNELXSVLV-UHFFFAOYSA-N -1 0 383.445 3.844 50 0 GHAARM CCc1ncc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)cn1 ZINC000082087939 208078343 /nfs/dbraw/zinc/07/83/43/208078343.db2.gz ZZCAMLOOSLKHPU-UHFFFAOYSA-N -1 0 391.471 3.690 50 0 GHAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c(OC)c1 ZINC000085664863 208103370 /nfs/dbraw/zinc/10/33/70/208103370.db2.gz URMKKVGVOXCJMU-UHFFFAOYSA-N -1 0 399.881 3.610 50 0 GHAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](CCO)c3ccccc3)n2)cc1 ZINC000095453489 208184371 /nfs/dbraw/zinc/18/43/71/208184371.db2.gz IBIMLUUBBLGWIU-FQEVSTJZSA-N -1 0 393.487 3.897 50 0 GHAARM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1noc(-c2cccs2)n1 ZINC000095466363 208191771 /nfs/dbraw/zinc/19/17/71/208191771.db2.gz WWSSNYGNRGJBFS-UHFFFAOYSA-N -1 0 389.380 3.759 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(SCCC(=O)[O-])c1 ZINC000095941735 208239242 /nfs/dbraw/zinc/23/92/42/208239242.db2.gz GFMKOKLSOSUVLV-UHFFFAOYSA-N -1 0 379.503 3.979 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)[nH]n2)oc1C ZINC000096386734 208311875 /nfs/dbraw/zinc/31/18/75/208311875.db2.gz SOUBDXRHOCXWSA-UHFFFAOYSA-N -1 0 381.841 3.749 50 0 GHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(SC)cc2)n1 ZINC000096379817 208312417 /nfs/dbraw/zinc/31/24/17/208312417.db2.gz KSYWBNWRQFVNEC-UHFFFAOYSA-N -1 0 392.506 3.767 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000100671506 208377675 /nfs/dbraw/zinc/37/76/75/208377675.db2.gz XMHWGKBBITZBTN-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM O=C(Nc1ccc(Br)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613749 208379328 /nfs/dbraw/zinc/37/93/28/208379328.db2.gz UMIVPGXFQNRTOF-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002134229 208501470 /nfs/dbraw/zinc/50/14/70/208501470.db2.gz BVZHOEHHDILWQC-VAWYXSNFSA-N -1 0 376.368 3.882 50 0 biogenic GHAARM CN1Cc2ccc(NC(=O)C[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2C1=O ZINC000223106481 208893545 /nfs/dbraw/zinc/89/35/45/208893545.db2.gz JNKUVZNULLAOFO-AWEZNQCLSA-N -1 0 386.835 3.513 50 0 GHAARM C[C@H](Oc1ccccc1Cl)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237688168 209017645 /nfs/dbraw/zinc/01/76/45/209017645.db2.gz AFXDTVFCNKYTRQ-LBPRGKRZSA-N -1 0 397.805 3.889 50 0 GHAARM CSCC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC000252537086 209036427 /nfs/dbraw/zinc/03/64/27/209036427.db2.gz KGQAFZYXMNOQLM-GOSISDBHSA-N -1 0 382.485 3.626 50 0 GHAARM COc1cccc(CN(C(=O)NC2(C(=O)[O-])CC2)[C@H]2CCCc3ccccc32)c1 ZINC000426379580 533468295 /nfs/dbraw/zinc/46/82/95/533468295.db2.gz BMUXQIYJLYGCTP-FQEVSTJZSA-N -1 0 394.471 3.902 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)cc1 ZINC000065183488 222107196 /nfs/dbraw/zinc/10/71/96/222107196.db2.gz SQLVGGBPTXBDKU-UHFFFAOYSA-N -1 0 377.491 3.831 50 0 GHAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000101033517 535226778 /nfs/dbraw/zinc/22/67/78/535226778.db2.gz AHOPONKDROLDDH-HTXNQAPBSA-N -1 0 381.476 3.722 50 0 GHAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCCC3)c([O-])n2n1 ZINC000022625923 570222468 /nfs/dbraw/zinc/22/24/68/570222468.db2.gz ZGXLHIPUCCWHNU-ZDUSSCGKSA-N -1 0 393.310 3.753 50 0 GHAARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000012000919 570228050 /nfs/dbraw/zinc/22/80/50/570228050.db2.gz WXVLUUFBXQVORA-UHFFFAOYSA-N -1 0 379.441 3.881 50 0 GHAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000003872815 570270203 /nfs/dbraw/zinc/27/02/03/570270203.db2.gz BNVMUDXGABBWGP-OAQYLSRUSA-N -1 0 393.464 3.554 50 0 in-vivo GHAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146895 570277051 /nfs/dbraw/zinc/27/70/51/570277051.db2.gz UTWYDDKINNCFKI-UHFFFAOYSA-N -1 0 394.443 3.828 50 0 GHAARM CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1ccccc1C(=O)[O-] ZINC000012895826 570286872 /nfs/dbraw/zinc/28/68/72/570286872.db2.gz QHGDZKVNCIEQSI-UHFFFAOYSA-N -1 0 389.473 3.543 50 0 GHAARM Cc1oc([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)nc1C(=O)[O-] ZINC000218911669 570343418 /nfs/dbraw/zinc/34/34/18/570343418.db2.gz FJKMLGAXBFCUTK-KRWDZBQOSA-N -1 0 380.400 3.891 50 0 GHAARM COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)c(F)c2)c(F)c1 ZINC000237412961 570350971 /nfs/dbraw/zinc/35/09/71/570350971.db2.gz OZLLLEAUXCWYCM-UHFFFAOYSA-N -1 0 375.371 3.577 50 0 GHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(I)cc2)C1 ZINC000004371572 570371875 /nfs/dbraw/zinc/37/18/75/570371875.db2.gz KTSLUZPORMHNPS-KGLIPLIRSA-N -1 0 399.228 3.677 50 0 GHAARM O=C([O-])c1cc(NCc2ccc(Br)cc2)ccc1N1CCOCC1 ZINC000004705120 570395934 /nfs/dbraw/zinc/39/59/34/570395934.db2.gz YUSHQMPKZLHENO-UHFFFAOYSA-N -1 0 391.265 3.596 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC000237961910 570417710 /nfs/dbraw/zinc/41/77/10/570417710.db2.gz GSHHYIAEMRUCQD-APHBMKBZSA-N -1 0 380.282 3.656 50 0 GHAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCCCC3)[nH]c2C[C@H]1C ZINC000004916930 570418355 /nfs/dbraw/zinc/41/83/55/570418355.db2.gz MHHZRJRWCRQQHM-WBMJQRKESA-N -1 0 375.465 3.757 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000238029463 570420821 /nfs/dbraw/zinc/42/08/21/570420821.db2.gz IYFLDTOXCRMNTK-UHFFFAOYSA-N -1 0 378.428 3.865 50 0 GHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1Cl ZINC000002472503 570487047 /nfs/dbraw/zinc/48/70/47/570487047.db2.gz JCMVSVKBDLONRR-WMLDXEAASA-N -1 0 379.865 3.716 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)[O-])c3c2)cc1 ZINC000006659108 570522876 /nfs/dbraw/zinc/52/28/76/570522876.db2.gz PZIINWZRGVOHKV-UHFFFAOYSA-N -1 0 375.402 3.639 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc(Cl)c1 ZINC000000790803 570533701 /nfs/dbraw/zinc/53/37/01/570533701.db2.gz JXIDZJLOLBNHRB-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3nc4ccccc4s3)c3cccc1c23 ZINC000008716727 570537901 /nfs/dbraw/zinc/53/79/01/570537901.db2.gz KEOGMZKTCPAFLT-UHFFFAOYSA-N -1 0 381.438 3.816 50 0 GHAARM Cc1cc2cc(NC(=O)N[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])ccc2[nH]1 ZINC000225487475 570578897 /nfs/dbraw/zinc/57/88/97/570578897.db2.gz GNFVSYWEGKGURO-IBGZPJMESA-N -1 0 394.406 3.914 50 0 GHAARM COc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000012416044 570669824 /nfs/dbraw/zinc/66/98/24/570669824.db2.gz XQEOUTJRVIRQEH-UHFFFAOYSA-N -1 0 386.407 3.957 50 0 GHAARM Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)o1 ZINC000006919699 570704596 /nfs/dbraw/zinc/70/45/96/570704596.db2.gz KJPBNLMLPDZKMY-UHFFFAOYSA-N -1 0 398.484 3.969 50 0 GHAARM CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000002224346 570719563 /nfs/dbraw/zinc/71/95/63/570719563.db2.gz VFHLZDYCMADZRF-UHFFFAOYSA-N -1 0 386.473 3.999 50 0 GHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000032679011 570730410 /nfs/dbraw/zinc/73/04/10/570730410.db2.gz JGGGIMDJVPTABR-HNNXBMFYSA-N -1 0 384.501 3.944 50 0 GHAARM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c1 ZINC000065246429 570747666 /nfs/dbraw/zinc/74/76/66/570747666.db2.gz GMIWMMXQPWPKDV-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246426 570747707 /nfs/dbraw/zinc/74/77/07/570747707.db2.gz WEIAETJFMODVGT-UHFFFAOYSA-N -1 0 381.360 3.676 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(C)cc2C)c3[O-])c1 ZINC000065250031 570748969 /nfs/dbraw/zinc/74/89/69/570748969.db2.gz FPJYZEWOSWBBCR-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cc1 ZINC000007055895 570775027 /nfs/dbraw/zinc/77/50/27/570775027.db2.gz ORVNTUGRCLQIHM-UHFFFAOYSA-N -1 0 387.429 3.979 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Br ZINC000012802644 570813747 /nfs/dbraw/zinc/81/37/47/570813747.db2.gz OKBAXXHHYCMDIN-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000012507857 570823720 /nfs/dbraw/zinc/82/37/20/570823720.db2.gz MBMJREIYKPSIML-UHFFFAOYSA-N -1 0 395.289 3.823 50 0 GHAARM Cc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)s1 ZINC000101495302 570824939 /nfs/dbraw/zinc/82/49/39/570824939.db2.gz PSOTWDYOZMHNFJ-HNNXBMFYSA-N -1 0 399.497 3.507 50 0 GHAARM CCn1c(=O)c(-c2nc(-c3ccccc3OC)no2)c([O-])c2ccc(F)cc21 ZINC000101724803 570829389 /nfs/dbraw/zinc/82/93/89/570829389.db2.gz QQRDJUGYLDXJTP-UHFFFAOYSA-N -1 0 381.363 3.592 50 0 GHAARM CCc1cccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000013346037 570838385 /nfs/dbraw/zinc/83/83/85/570838385.db2.gz HJPNDSAYXVFVDF-UHFFFAOYSA-N -1 0 384.251 3.511 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3OC)cc2[n-]c1=S ZINC000102752022 570862144 /nfs/dbraw/zinc/86/21/44/570862144.db2.gz FYNZXCKWWGXOJX-UHFFFAOYSA-N -1 0 389.864 3.619 50 0 GHAARM COc1nc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2s1 ZINC000170617707 570875208 /nfs/dbraw/zinc/87/52/08/570875208.db2.gz WWONRSZIXYWCMZ-UHFFFAOYSA-N -1 0 399.291 3.868 50 0 GHAARM CCCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1ccc3c(c1)OCO3)c2=O ZINC000004024309 570902693 /nfs/dbraw/zinc/90/26/93/570902693.db2.gz FTSRBGKLGZGENQ-UHFFFAOYSA-N -1 0 396.395 3.913 50 0 biogenic GHAARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000000665160 570950053 /nfs/dbraw/zinc/95/00/53/570950053.db2.gz OVVBIPWODFLCHE-AQTBWJFISA-N -1 0 378.428 3.643 50 0 GHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1ccc(F)cc1 ZINC000004742991 570956879 /nfs/dbraw/zinc/95/68/79/570956879.db2.gz COAABWNIDVEXLF-UHFFFAOYSA-N -1 0 389.810 3.501 50 0 GHAARM CN1C(=O)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@@H]1c1ccccc1 ZINC000106570566 570965623 /nfs/dbraw/zinc/96/56/23/570965623.db2.gz SYNNHNSRVKJSLG-JKIFEVAISA-N -1 0 398.406 3.536 50 0 GHAARM COc1cc(NC(=O)COc2cccc3ccccc32)c(C(=O)[O-])cc1OC ZINC000004807828 834789535 /nfs/dbraw/zinc/78/95/35/834789535.db2.gz OTSROPZAPFLNKQ-UHFFFAOYSA-N -1 0 381.384 3.573 50 0 GHAARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000002892923 861762953 /nfs/dbraw/zinc/76/29/53/861762953.db2.gz QGBPYQCHMDYFDK-ZROIWOOFSA-N -1 0 392.267 3.737 50 0 GHAARM O=c1c2cc3c(cc2[n-]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000002974132 862077951 /nfs/dbraw/zinc/07/79/51/862077951.db2.gz FICSRDABMSGKOG-UHFFFAOYSA-N -1 0 395.484 3.625 50 0 GHAARM O=C(CCCCCn1c(=S)[n-]c2ccsc2c1=O)NCc1ccco1 ZINC000003059171 862152948 /nfs/dbraw/zinc/15/29/48/862152948.db2.gz LDDNMPMNFNNNDX-UHFFFAOYSA-N -1 0 377.491 3.590 50 0 GHAARM CCCC[C@H](Sc1ccc2nnc(-c3ccc(OCC)cc3)n2n1)C(=O)[O-] ZINC000004165128 862835153 /nfs/dbraw/zinc/83/51/53/862835153.db2.gz FTZIKNQBFYEECS-HNNXBMFYSA-N -1 0 386.477 3.926 50 0 GHAARM Cc1cc(SC[C@@H](NC(=O)c2ccccc2)C(=O)[O-])c2cc(F)ccc2n1 ZINC000009422278 857195538 /nfs/dbraw/zinc/19/55/38/857195538.db2.gz SPBXHVWHNHIBAB-QGZVFWFLSA-N -1 0 384.432 3.658 50 0 GHAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1cccc2ccccc21 ZINC000004306479 862950971 /nfs/dbraw/zinc/95/09/71/862950971.db2.gz PSKBAUBKHJGBBI-UHFFFAOYSA-N -1 0 397.481 3.682 50 0 GHAARM Fc1cc2[nH]cc(CCN=c3nc(C4CCOCC4)[n-]s3)c2cc1Cl ZINC000624715512 858781861 /nfs/dbraw/zinc/78/18/61/858781861.db2.gz DYVCUJBDIQFJJY-UHFFFAOYSA-N -1 0 380.876 3.782 50 0 GHAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c(C)c1 ZINC000013348740 859890008 /nfs/dbraw/zinc/89/00/08/859890008.db2.gz DPVFIMUCEPWXPU-UHFFFAOYSA-N -1 0 390.490 3.929 50 0 GHAARM COc1ccc([C@H](CC(=O)Nc2ccc(C)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000003087902 860426322 /nfs/dbraw/zinc/42/63/22/860426322.db2.gz HUQWVJVVOVLDRI-INIZCTEOSA-N -1 0 380.366 3.752 50 0 aggregator GHAARM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c([O-])cc(F)cc1F ZINC000066043268 883343362 /nfs/dbraw/zinc/34/33/62/883343362.db2.gz YOEQCELENMJPLK-UHFFFAOYSA-N -1 0 384.386 3.908 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000007814189 883712334 /nfs/dbraw/zinc/71/23/34/883712334.db2.gz JKWNPMPKZDTPKB-HNNXBMFYSA-N -1 0 386.473 3.791 50 0 GHAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccccc3OC(F)F)nc(=O)c12 ZINC000033492858 893318813 /nfs/dbraw/zinc/31/88/13/893318813.db2.gz CHZJMGVWADKGMI-SREVYHEPSA-N -1 0 378.356 3.763 50 0 GHAARM O=C([N-]S(=O)(=O)Cc1cccc2ncccc12)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000585123640 897654762 /nfs/dbraw/zinc/65/47/62/897654762.db2.gz SKNRAURUUQMSLW-QZTJIDSGSA-N -1 0 394.496 3.765 50 0 GHAARM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC000630245599 902938673 /nfs/dbraw/zinc/93/86/73/902938673.db2.gz LIVNZQQNMKUYIJ-NEPJUHHUSA-N -1 0 390.427 3.916 50 0 GHAARM C[C@@H](CSCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000723271057 919709315 /nfs/dbraw/zinc/70/93/15/919709315.db2.gz ZEMRXCRVWRGPAD-AWEZNQCLSA-N -1 0 385.485 3.979 50 0 GHAARM Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534579 930485486 /nfs/dbraw/zinc/48/54/86/930485486.db2.gz RSPUGXILVXQSIU-OAUYIBNBSA-N -1 0 384.480 3.746 50 0 GHAARM COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)[O-])cs3)n2)cc1OC ZINC000005243336 209122554 /nfs/dbraw/zinc/12/25/54/209122554.db2.gz KIWRHLRLNHTVSE-UHFFFAOYSA-N -1 0 399.350 3.730 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)cc1C(F)(F)F ZINC000328595646 206230368 /nfs/dbraw/zinc/23/03/68/206230368.db2.gz ZUVNNCHVIHMGNR-UHFFFAOYSA-N -1 0 383.351 3.865 50 0 GHAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4[nH]3)cc1)C2=O ZINC000000716856 206319340 /nfs/dbraw/zinc/31/93/40/206319340.db2.gz SKTYLQRISWBFMX-UHFFFAOYSA-N -1 0 383.363 3.729 50 0 GHAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1 ZINC000000807761 206323318 /nfs/dbraw/zinc/32/33/18/206323318.db2.gz XAVZZPVOFMSZEX-CRAIPNDOSA-N -1 0 377.437 3.592 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccccc1Cl ZINC000000854189 206327841 /nfs/dbraw/zinc/32/78/41/206327841.db2.gz LHDBBJNCXBWYKY-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccccc1 ZINC000000872863 206330746 /nfs/dbraw/zinc/33/07/46/206330746.db2.gz PFAJWVQJQKFRMD-UHFFFAOYSA-N -1 0 387.486 3.813 50 0 GHAARM CC[C@@H](C(=O)[O-])n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000000955162 206337585 /nfs/dbraw/zinc/33/75/85/206337585.db2.gz BOBGQKSEGBUYTO-LBPRGKRZSA-N -1 0 393.262 3.923 50 0 GHAARM COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CSCC(=O)[O-] ZINC000001034314 206343471 /nfs/dbraw/zinc/34/34/71/206343471.db2.gz ZWVZQTJTZRBKCF-UHFFFAOYSA-N -1 0 399.877 3.611 50 0 GHAARM Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001130119 206356938 /nfs/dbraw/zinc/35/69/38/206356938.db2.gz DWNRZOGUZXKPDE-CPNJWEJPSA-N -1 0 390.395 3.696 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CCc3ccccn3)c2)c1 ZINC000001426177 206380998 /nfs/dbraw/zinc/38/09/98/206380998.db2.gz FNVBKTNHYRMIPQ-UHFFFAOYSA-N -1 0 398.484 3.685 50 0 GHAARM CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000001146531 206359781 /nfs/dbraw/zinc/35/97/81/206359781.db2.gz UPSPBORPJWVGSD-UHFFFAOYSA-N -1 0 387.288 3.932 50 0 GHAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1 ZINC000003864301 206495217 /nfs/dbraw/zinc/49/52/17/206495217.db2.gz HWBJNQRUKCXFGH-UHFFFAOYSA-N -1 0 375.446 3.930 50 0 GHAARM O=C(Nc1ccncc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000012749116 206930043 /nfs/dbraw/zinc/93/00/43/206930043.db2.gz KDDVXQNBYAYRPL-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013185119 206970066 /nfs/dbraw/zinc/97/00/66/206970066.db2.gz NMLIWZCZAPPTNC-UHFFFAOYSA-N -1 0 377.362 3.964 50 0 GHAARM COc1ccc(NC(=O)C=C(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015900914 207068225 /nfs/dbraw/zinc/06/82/25/207068225.db2.gz KJOJCJQBYHEABU-UHFFFAOYSA-N -1 0 378.425 3.540 50 0 GHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1)CC2 ZINC000015782007 207060296 /nfs/dbraw/zinc/06/02/96/207060296.db2.gz KDNLSQOUZIBVNT-KRWDZBQOSA-N -1 0 384.432 3.618 50 0 GHAARM O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccc(Cl)cc1 ZINC000016996332 207081436 /nfs/dbraw/zinc/08/14/36/207081436.db2.gz SKUKEVGYGDMVPB-UHFFFAOYSA-N -1 0 393.834 3.521 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2nn(Cc3ccccc3)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000017079188 207083587 /nfs/dbraw/zinc/08/35/87/207083587.db2.gz NPZRXFZLSOAUEU-HOTGVXAUSA-N -1 0 387.867 3.971 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)[C@H](C(=O)[O-])C1 ZINC000017079695 207083603 /nfs/dbraw/zinc/08/36/03/207083603.db2.gz UFRIOHINGOWWGP-UONOGXRCSA-N -1 0 390.505 3.502 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017080425 207083626 /nfs/dbraw/zinc/08/36/26/207083626.db2.gz NERKGFWGMFPGOH-CXTZMWEQSA-N -1 0 393.505 3.871 50 0 GHAARM CCOc1ccc(-c2c(C)sc(NC(=O)CCC(=O)[O-])c2C(=O)OC)cc1 ZINC000017079904 207084227 /nfs/dbraw/zinc/08/42/27/207084227.db2.gz ZLHGVIQCTIUBKL-UHFFFAOYSA-N -1 0 391.445 3.712 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1CCc1nc2ccccc2[nH]1 ZINC000021357261 207229427 /nfs/dbraw/zinc/22/94/27/207229427.db2.gz IFVXECZZAUUCTK-UHFFFAOYSA-N -1 0 396.472 3.754 50 0 GHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000022185962 207247804 /nfs/dbraw/zinc/24/78/04/207247804.db2.gz NPPWMQLPPPHMLG-UHFFFAOYSA-N -1 0 386.235 3.703 50 0 GHAARM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000022960052 207267145 /nfs/dbraw/zinc/26/71/45/207267145.db2.gz LVBJCPOCPMHLRW-UHFFFAOYSA-N -1 0 384.860 3.808 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc(F)c(F)c1F ZINC000026541361 207316113 /nfs/dbraw/zinc/31/61/13/207316113.db2.gz RAXRGZMSCJFIRJ-UHFFFAOYSA-N -1 0 394.378 3.567 50 0 GHAARM O=C([O-])/C=C\C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000032634431 207398976 /nfs/dbraw/zinc/39/89/76/207398976.db2.gz MEOFSSHQKNJSHO-SREVYHEPSA-N -1 0 379.199 3.825 50 0 GHAARM O=C([O-])c1cc(N2CCCC2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000035482648 207492866 /nfs/dbraw/zinc/49/28/66/207492866.db2.gz DXSSXSMWICYNOU-UHFFFAOYSA-N -1 0 389.249 4.000 50 0 GHAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)C1 ZINC000036354770 207524443 /nfs/dbraw/zinc/52/44/43/207524443.db2.gz HJHSRYXIJHHMET-IBGZPJMESA-N -1 0 392.455 3.544 50 0 GHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246424 207850828 /nfs/dbraw/zinc/85/08/28/207850828.db2.gz DQEVFOBWTXWKKH-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000091440435 208115902 /nfs/dbraw/zinc/11/59/02/208115902.db2.gz AFZNMGLQMOOVTK-ZWKOTPCHSA-N -1 0 375.827 3.739 50 0 GHAARM Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ccc(C(=O)[O-])cc3)C1)C(=O)CCC2 ZINC000095354253 208157449 /nfs/dbraw/zinc/15/74/49/208157449.db2.gz UPOIZDLOQVNYBB-MRXNPFEDSA-N -1 0 381.428 3.825 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)cc1 ZINC000095360096 208160951 /nfs/dbraw/zinc/16/09/51/208160951.db2.gz SPZABRCDOFTZLE-OAHLLOKOSA-N -1 0 379.865 3.607 50 0 GHAARM CCCCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096361045 208311289 /nfs/dbraw/zinc/31/12/89/208311289.db2.gz AGXVTWOFHRIRHN-UHFFFAOYSA-N -1 0 398.488 3.805 50 0 GHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2SC)n1 ZINC000096379821 208312462 /nfs/dbraw/zinc/31/24/62/208312462.db2.gz AXIJXXURZZPUGP-UHFFFAOYSA-N -1 0 392.506 3.767 50 0 GHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC)s2)c1=O ZINC000100702801 208377617 /nfs/dbraw/zinc/37/76/17/208377617.db2.gz JOJCGYUILXXOKY-UHFFFAOYSA-N -1 0 386.477 3.564 50 0 GHAARM CN(C)C(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1Cl ZINC000041116968 208389548 /nfs/dbraw/zinc/38/95/48/208389548.db2.gz FIVHKFHVRDGXLN-UHFFFAOYSA-N -1 0 387.288 3.637 50 0 GHAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002103490 208501034 /nfs/dbraw/zinc/50/10/34/208501034.db2.gz MANXQZCGQHSQKH-QGZVFWFLSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM CC[C@@H](C)[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000004084574 208535430 /nfs/dbraw/zinc/53/54/30/208535430.db2.gz JJIYXVXBBVJWCK-YJYMSZOUSA-N -1 0 379.412 3.689 50 0 biogenic GHAARM Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000007990188 221022162 /nfs/dbraw/zinc/02/21/62/221022162.db2.gz SDLFUNMRJMOAST-CQSZACIVSA-N -1 0 388.272 3.796 50 0 GHAARM COc1cccc(C[C@@]2(C(=O)[O-])CCCN(c3cnc4ccccc4n3)C2)c1 ZINC000071639706 136165848 /nfs/dbraw/zinc/16/58/48/136165848.db2.gz PCPGWSXXUZHHBB-QFIPXVFZSA-N -1 0 377.444 3.552 50 0 GHAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN(c2nc3ccccc3cc2CO)C1 ZINC000071762646 136166291 /nfs/dbraw/zinc/16/62/91/136166291.db2.gz XQRYMROPXSJWGY-HSZRJFAPSA-N -1 0 376.456 3.641 50 0 GHAARM CC(C)c1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cccc(F)c2)s1 ZINC000065184045 222107008 /nfs/dbraw/zinc/10/70/08/222107008.db2.gz HNUAZYAFXQOIOS-UHFFFAOYSA-N -1 0 382.486 3.978 50 0 GHAARM O=c1nc(CN(CCc2ccccc2)c2ccc(O)cc2)[n-]c2ccsc21 ZINC000072308365 222222588 /nfs/dbraw/zinc/22/25/88/222222588.db2.gz XHHSOVWBVUEJKS-UHFFFAOYSA-N -1 0 377.469 3.940 50 0 GHAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000426394763 534512045 /nfs/dbraw/zinc/51/20/45/534512045.db2.gz XXOFDIMENLLJBS-CQSZACIVSA-N -1 0 386.452 3.614 50 0 GHAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000047992082 570216542 /nfs/dbraw/zinc/21/65/42/570216542.db2.gz XOQPJKAALQCTIV-UHFFFAOYSA-N -1 0 383.260 3.590 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc(-c3cccnc3)no2)cc1 ZINC000022462384 570255305 /nfs/dbraw/zinc/25/53/05/570255305.db2.gz NTEUQRDHYMSBIG-UHFFFAOYSA-N -1 0 392.440 3.908 50 0 GHAARM O=C(NCC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006146899 570276933 /nfs/dbraw/zinc/27/69/33/570276933.db2.gz MHKCLXOMXSEUIO-UHFFFAOYSA-N -1 0 378.519 3.859 50 0 GHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000002890046 570316951 /nfs/dbraw/zinc/31/69/51/570316951.db2.gz BKOQSHLRRBEBTM-NSHDSACASA-N -1 0 397.239 3.511 50 0 GHAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000004334649 570368610 /nfs/dbraw/zinc/36/86/10/570368610.db2.gz RIXWATQTCFQICX-UHFFFAOYSA-N -1 0 392.499 3.792 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(I)cc2)[C@H](C(=O)[O-])C1 ZINC000004371579 570371865 /nfs/dbraw/zinc/37/18/65/570371865.db2.gz KTSLUZPORMHNPS-UONOGXRCSA-N -1 0 399.228 3.677 50 0 GHAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cccc(Br)c1 ZINC000000819051 570372219 /nfs/dbraw/zinc/37/22/19/570372219.db2.gz NTIKWEMNMJCFEY-NWDGAFQWSA-N -1 0 388.283 3.885 50 0 GHAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614487 570387638 /nfs/dbraw/zinc/38/76/38/570387638.db2.gz CVERJTCOVKUCKG-KBPBESRZSA-N -1 0 385.441 3.807 50 0 GHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006328825 570387719 /nfs/dbraw/zinc/38/77/19/570387719.db2.gz JCMKWGLFIUEYLQ-UHFFFAOYSA-N -1 0 390.848 3.664 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000033253373 570403441 /nfs/dbraw/zinc/40/34/41/570403441.db2.gz SGQUDOQBCWOKDZ-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM Cc1ccc(C(=O)Nc2ccc(I)c(C(=O)[O-])c2)cc1C ZINC000004828750 570409113 /nfs/dbraw/zinc/40/91/13/570409113.db2.gz MGUMTBOYVOGAKR-UHFFFAOYSA-N -1 0 395.196 3.859 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)C1 ZINC000238010300 570419868 /nfs/dbraw/zinc/41/98/68/570419868.db2.gz LSLBXDPCXOHNHO-OAHLLOKOSA-N -1 0 390.480 3.519 50 0 GHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1F ZINC000005144779 570426622 /nfs/dbraw/zinc/42/66/22/570426622.db2.gz IVFXXTQTOVRYDM-UHFFFAOYSA-N -1 0 398.463 3.684 50 0 GHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000011867578 570441790 /nfs/dbraw/zinc/44/17/90/570441790.db2.gz SNAUNXIYCDCMTF-HXUWFJFHSA-N -1 0 399.443 3.622 50 0 GHAARM CCC[C@@H]1SCCN1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000072288339 570479144 /nfs/dbraw/zinc/47/91/44/570479144.db2.gz WTQCEAQEHUWXFV-HNNXBMFYSA-N -1 0 396.559 3.864 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1O ZINC000061720686 570503272 /nfs/dbraw/zinc/50/32/72/570503272.db2.gz KLCWJLADNMBSGY-LBPRGKRZSA-N -1 0 396.374 3.503 50 0 GHAARM C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000002878895 570520256 /nfs/dbraw/zinc/52/02/56/570520256.db2.gz FSYRCRQPQQUKDP-AWEZNQCLSA-N -1 0 399.402 3.973 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2nc3ccccc3[nH]2)cs1 ZINC000071281860 570523776 /nfs/dbraw/zinc/52/37/76/570523776.db2.gz SJAILQBVMWPJTC-UHFFFAOYSA-N -1 0 378.413 3.566 50 0 GHAARM CC(C)n1cc(Br)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177475881 570527617 /nfs/dbraw/zinc/52/76/17/570527617.db2.gz KFTZCDNFQPPNOA-CYBMUJFWSA-N -1 0 377.238 3.660 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2cccnc2)cc1 ZINC000009009479 570546473 /nfs/dbraw/zinc/54/64/73/570546473.db2.gz PFGHSRCQERYJBN-OAQYLSRUSA-N -1 0 396.406 3.920 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c2cc3ccccc3nc21 ZINC000005352435 570559421 /nfs/dbraw/zinc/55/94/21/570559421.db2.gz JAAWAGJUZFIYDI-UHFFFAOYSA-N -1 0 394.456 3.608 50 0 GHAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000036293908 570562973 /nfs/dbraw/zinc/56/29/73/570562973.db2.gz YFSXCEZNEFYQAD-KRWDZBQOSA-N -1 0 381.881 3.785 50 0 GHAARM CCc1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)ccc1OC ZINC000011613737 570576594 /nfs/dbraw/zinc/57/65/94/570576594.db2.gz PWASTGRIFSRABQ-UHFFFAOYSA-N -1 0 385.869 3.729 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947330 570604208 /nfs/dbraw/zinc/60/42/08/570604208.db2.gz RWYXNYYSVPKCEW-UHFFFAOYSA-N -1 0 385.489 3.997 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)no1 ZINC000000865015 570674873 /nfs/dbraw/zinc/67/48/73/570674873.db2.gz YLGOVXHOEHVBGE-UHFFFAOYSA-N -1 0 391.836 3.690 50 0 GHAARM Cc1ccc(CNC(=O)c2ccccc2NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000012787909 570712841 /nfs/dbraw/zinc/71/28/41/570712841.db2.gz XSMDBLCEBPWVQC-UHFFFAOYSA-N -1 0 382.460 3.755 50 0 GHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1cccc(F)c1 ZINC000013072228 570745030 /nfs/dbraw/zinc/74/50/30/570745030.db2.gz YTPAZYLUMYZBBX-SFHVURJKSA-N -1 0 398.390 3.632 50 0 GHAARM Cc1ccc(NC(=O)C[C@@H]2N=C(Nc3ccc(Cl)cc3Cl)N=C2[O-])cc1 ZINC000013692801 570776436 /nfs/dbraw/zinc/77/64/36/570776436.db2.gz RTFOYYCPJHAHHS-HNNXBMFYSA-N -1 0 391.258 3.597 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000238021752 570776803 /nfs/dbraw/zinc/77/68/03/570776803.db2.gz HLZWDWJGUZMFRQ-CQSZACIVSA-N -1 0 376.453 3.590 50 0 GHAARM CCn1c(=O)c(-c2nc(-c3ccccc3OC)no2)c([O-])c2cc(F)ccc21 ZINC000101725083 570829807 /nfs/dbraw/zinc/82/98/07/570829807.db2.gz PSFJAPVGXMSMOI-UHFFFAOYSA-N -1 0 381.363 3.592 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1Cl ZINC000013340147 570838399 /nfs/dbraw/zinc/83/83/99/570838399.db2.gz GEVSVFJPZQQPHS-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc(O)cc1 ZINC000004691346 570839957 /nfs/dbraw/zinc/83/99/57/570839957.db2.gz MUQWGZQINSEKMQ-UHFFFAOYSA-N -1 0 384.819 3.915 50 0 GHAARM CCCCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012548527 570850695 /nfs/dbraw/zinc/85/06/95/570850695.db2.gz FNFBMDAQJCCDDG-UHFFFAOYSA-N -1 0 390.505 3.758 50 0 GHAARM C[C@@H](CC(=O)N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597624 570855700 /nfs/dbraw/zinc/85/57/00/570855700.db2.gz VCBJECIKFGBQGA-APPDUMDISA-N -1 0 379.867 3.804 50 0 GHAARM CCCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000033253621 570861404 /nfs/dbraw/zinc/86/14/04/570861404.db2.gz BMGCBZBXQJMOKZ-UHFFFAOYSA-N -1 0 390.505 3.953 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000033253645 570861985 /nfs/dbraw/zinc/86/19/85/570861985.db2.gz AHXIMWYKNZWVMR-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1NC(=O)CCC(=O)[O-] ZINC000013578919 570898690 /nfs/dbraw/zinc/89/86/90/570898690.db2.gz OJPXPVKRIYMWNK-AWEZNQCLSA-N -1 0 386.473 3.918 50 0 GHAARM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000047318127 570953618 /nfs/dbraw/zinc/95/36/18/570953618.db2.gz BELHSQSNDYWFKS-UHFFFAOYSA-N -1 0 376.217 3.501 50 0 GHAARM CCn1ccc2ccc(NS(=O)(=O)c3cc(Cl)c(F)c(C(=O)[O-])c3)cc21 ZINC000170672877 571008724 /nfs/dbraw/zinc/00/87/24/571008724.db2.gz CBMGVKUTXPYMFM-UHFFFAOYSA-N -1 0 396.827 3.953 50 0 GHAARM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1Br ZINC000007708541 571019316 /nfs/dbraw/zinc/01/93/16/571019316.db2.gz ZAMTWQFOJROVRM-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000178173233 596933882 /nfs/dbraw/zinc/93/38/82/596933882.db2.gz KHXLZBBPITUTCX-UHFFFAOYSA-N -1 0 394.349 3.830 50 0 GHAARM Cc1ccc2nc(C3CC3)cc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)c2c1 ZINC000190804354 601181838 /nfs/dbraw/zinc/18/18/38/601181838.db2.gz DQYMLPCKRXZFNX-INIZCTEOSA-N -1 0 382.460 3.517 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC ZINC000002644609 861461441 /nfs/dbraw/zinc/46/14/41/861461441.db2.gz HQSGVEQZGSHGJZ-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM Cc1ccc(-n2ncc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000194466210 847956646 /nfs/dbraw/zinc/95/66/46/847956646.db2.gz XSRLCOXKVIKYNH-UONOGXRCSA-N -1 0 387.867 3.695 50 0 GHAARM O=C([O-])CCC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000004036708 862730948 /nfs/dbraw/zinc/73/09/48/862730948.db2.gz FBTHZLDZGLIFFG-UHFFFAOYSA-N -1 0 395.242 3.758 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Cl ZINC000008706595 856323859 /nfs/dbraw/zinc/32/38/59/856323859.db2.gz YFWCOSOEZFMYPN-UHFFFAOYSA-N -1 0 394.880 3.888 50 0 GHAARM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000009447960 857202686 /nfs/dbraw/zinc/20/26/86/857202686.db2.gz RLAXNIDBALEALO-UHFFFAOYSA-N -1 0 389.390 3.837 50 0 GHAARM O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010009704 857393358 /nfs/dbraw/zinc/39/33/58/857393358.db2.gz UUYGXVGMMFKBRG-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM COc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc(Br)c1O ZINC000606444092 859836167 /nfs/dbraw/zinc/83/61/67/859836167.db2.gz RIUJZEQUXILADS-JVLMNHKTSA-N -1 0 382.235 3.888 50 0 GHAARM COc1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc(Br)c1O ZINC000606444093 859836510 /nfs/dbraw/zinc/83/65/10/859836510.db2.gz RIUJZEQUXILADS-VOERYJCWSA-N -1 0 382.235 3.888 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc2s1 ZINC000013348790 859889632 /nfs/dbraw/zinc/88/96/32/859889632.db2.gz ZRQBWYGQVXXEAA-UHFFFAOYSA-N -1 0 398.416 3.590 50 0 GHAARM Cc1cccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1C ZINC000013348665 859889783 /nfs/dbraw/zinc/88/97/83/859889783.db2.gz SUVZNMOAPJYHAJ-UHFFFAOYSA-N -1 0 390.490 3.929 50 0 GHAARM Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c1F ZINC000180491857 878983516 /nfs/dbraw/zinc/98/35/16/878983516.db2.gz PLBDQZGLMDYIMN-OAHLLOKOSA-N -1 0 375.425 3.663 50 0 GHAARM O=C([O-])COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884209 879668949 /nfs/dbraw/zinc/66/89/49/879668949.db2.gz HBYHDOMBCRAOPH-JOCHJYFZSA-N -1 0 388.423 3.917 50 0 GHAARM O=C([O-])c1ccccc1-c1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)o1 ZINC000217829218 894488307 /nfs/dbraw/zinc/48/83/07/894488307.db2.gz VWMHHAVNXDHBEC-CQSZACIVSA-N -1 0 378.336 3.815 50 0 biogenic GHAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000005738243 915791279 /nfs/dbraw/zinc/79/12/79/915791279.db2.gz ZOPADLNFVYUWFI-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM O=C([O-])[C@@H]1[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2C=C[C@@H]1C2 ZINC000002583296 206421391 /nfs/dbraw/zinc/42/13/91/206421391.db2.gz CGUNSQHMOYCPJU-VKTIVEEGSA-N -1 0 375.424 3.800 50 0 GHAARM Cc1c2cccc(Cl)c2oc1C(=O)[N-]N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000006589384 206656672 /nfs/dbraw/zinc/65/66/72/206656672.db2.gz ZUQAKCVKOPGJCS-UHFFFAOYSA-N -1 0 389.839 3.540 50 0 GHAARM COC(=O)c1sccc1Oc1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC000008857283 206766581 /nfs/dbraw/zinc/76/65/81/206766581.db2.gz LFEBQSVMPSKFQK-UHFFFAOYSA-N -1 0 395.380 3.631 50 0 GHAARM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000012941189 206955989 /nfs/dbraw/zinc/95/59/89/206955989.db2.gz MBFAWDKMLOVVEJ-UHFFFAOYSA-N -1 0 394.475 3.576 50 0 GHAARM CC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2ccc(C)cc2C)c1=O ZINC000014185525 207013206 /nfs/dbraw/zinc/01/32/06/207013206.db2.gz ZZFKNIANUOMPCY-UHFFFAOYSA-N -1 0 379.387 3.733 50 0 GHAARM CCOC(=O)C(C[C@@H](C(=O)OCC)C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000016954774 207080133 /nfs/dbraw/zinc/08/01/33/207080133.db2.gz FWWMZWILXXJXAE-KDURUIRLSA-N -1 0 396.439 3.501 50 0 GHAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017078907 207083660 /nfs/dbraw/zinc/08/36/60/207083660.db2.gz QZUACNJZYSJMHI-UHFFFAOYSA-N -1 0 386.473 3.809 50 0 GHAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080221 207083682 /nfs/dbraw/zinc/08/36/82/207083682.db2.gz ZEQYMGWZJYGQAL-LBPRGKRZSA-N -1 0 392.521 3.739 50 0 GHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017080209 207084252 /nfs/dbraw/zinc/08/42/52/207084252.db2.gz BMTPIMBVNGETAC-GFCCVEGCSA-N -1 0 392.521 3.739 50 0 GHAARM O=C1NC(=Cc2cc(Cl)c([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000018265450 207097025 /nfs/dbraw/zinc/09/70/25/207097025.db2.gz FFSCDGAYHYLNDQ-MDWZMJQESA-N -1 0 393.624 3.905 50 0 GHAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(c4cc(C)ccc4C)CC3)c12 ZINC000021651066 207234175 /nfs/dbraw/zinc/23/41/75/207234175.db2.gz SHTQQSGQSWKXFW-UHFFFAOYSA-N -1 0 382.489 3.641 50 0 GHAARM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCc1c[nH]c2ccccc12 ZINC000024927620 207297734 /nfs/dbraw/zinc/29/77/34/207297734.db2.gz IKCHPIYQNPOVGQ-UHFFFAOYSA-N -1 0 394.500 3.837 50 0 GHAARM CSCC[C@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)[O-] ZINC000032075001 207391039 /nfs/dbraw/zinc/39/10/39/207391039.db2.gz PJGCEJBXBLECFB-KRWDZBQOSA-N -1 0 382.485 3.631 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253350 207444088 /nfs/dbraw/zinc/44/40/88/207444088.db2.gz NAEMDCOGIHXDBP-UHFFFAOYSA-N -1 0 380.441 3.561 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000033253355 207444584 /nfs/dbraw/zinc/44/45/84/207444584.db2.gz JCPMTLBRZHVOOI-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM Cc1cccc(-n2c3nc(-c4ccco4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000036617259 207532539 /nfs/dbraw/zinc/53/25/39/207532539.db2.gz XMTDNDMGJZPPPB-UHFFFAOYSA-N -1 0 379.397 3.710 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000065975816 207876046 /nfs/dbraw/zinc/87/60/46/207876046.db2.gz RQJARZSAMVURIS-JKSUJKDBSA-N -1 0 386.835 3.920 50 0 GHAARM CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)OC1=O ZINC000072410691 208019340 /nfs/dbraw/zinc/01/93/40/208019340.db2.gz BIKQIBYLHBBKHS-CYBMUJFWSA-N -1 0 380.872 3.661 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000078938816 208065665 /nfs/dbraw/zinc/06/56/65/208065665.db2.gz MXHHVMLNSNNYJU-UHFFFAOYSA-N -1 0 377.315 3.652 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c(OC)c1 ZINC000096323448 208306412 /nfs/dbraw/zinc/30/64/12/208306412.db2.gz JYYJYDXIWGHRCG-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CN(CCc1cn[nH]c1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000096354696 208310157 /nfs/dbraw/zinc/31/01/57/208310157.db2.gz OATUJWRDCZWULG-UHFFFAOYSA-N -1 0 398.850 3.693 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000096361106 208310394 /nfs/dbraw/zinc/31/03/94/208310394.db2.gz VTOIESYIUZIFLJ-UHFFFAOYSA-N -1 0 398.488 3.696 50 0 GHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(SC)c2)n1 ZINC000096379796 208313371 /nfs/dbraw/zinc/31/33/71/208313371.db2.gz XMDUAQAZQMUPFJ-UHFFFAOYSA-N -1 0 392.506 3.767 50 0 GHAARM CC(C)Oc1ccc(/C=C\c2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000097152301 208341744 /nfs/dbraw/zinc/34/17/44/208341744.db2.gz CEPYYMDJNMCLKU-XFXZXTDPSA-N -1 0 378.428 3.829 50 0 GHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 ZINC000101167913 208387213 /nfs/dbraw/zinc/38/72/13/208387213.db2.gz NVROPFMMEDCXRG-FQEVSTJZSA-N -1 0 396.406 3.643 50 0 GHAARM O=C(Nc1ccccc1C(F)(F)F)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100298313 208373257 /nfs/dbraw/zinc/37/32/57/208373257.db2.gz VPULEYHSEXAGEN-UHFFFAOYSA-N -1 0 388.345 3.924 50 0 GHAARM O=C([O-])c1cc2c(cc1NC(=O)CCc1ccccc1Cl)OCCCO2 ZINC000008156430 208693707 /nfs/dbraw/zinc/69/37/07/208693707.db2.gz KIZQTYWHXLDCLQ-UHFFFAOYSA-N -1 0 375.808 3.771 50 0 GHAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)o1 ZINC000170623106 208754910 /nfs/dbraw/zinc/75/49/10/208754910.db2.gz NRPRIYAYUTZGKB-UHFFFAOYSA-N -1 0 398.440 3.561 50 0 GHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000012180568 136200011 /nfs/dbraw/zinc/20/00/11/136200011.db2.gz VIPZOZSBUMMHSE-UHFFFAOYSA-N -1 0 378.881 3.830 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C(C)C)nn32)cc1 ZINC000065184033 222107826 /nfs/dbraw/zinc/10/78/26/222107826.db2.gz IHCOYYLOGOHFCO-UHFFFAOYSA-N -1 0 394.522 3.847 50 0 GHAARM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000268940658 526296199 /nfs/dbraw/zinc/29/61/99/526296199.db2.gz SDBXUICNXYRFOT-UHFFFAOYSA-N -1 0 389.883 3.575 50 0 GHAARM O=C([O-])[C@@H]1c2cccn2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000328598537 570287821 /nfs/dbraw/zinc/28/78/21/570287821.db2.gz MSYRAMMPXDCJKV-NRFANRHFSA-N -1 0 388.423 3.879 50 0 GHAARM COc1ccc(C=C(Sc2nnc3c(n2)[nH]c2ccccc23)C(=O)[O-])cc1 ZINC000004901793 570360337 /nfs/dbraw/zinc/36/03/37/570360337.db2.gz ZTALLBWFJHCSAX-GDNBJRDFSA-N -1 0 378.413 3.733 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC000004241351 570363677 /nfs/dbraw/zinc/36/36/77/570363677.db2.gz LJWMMVJXISECMP-OCCSQVGLSA-N -1 0 384.270 3.702 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 ZINC000006415175 570405903 /nfs/dbraw/zinc/40/59/03/570405903.db2.gz IYWWLFOYUXIKIF-UHFFFAOYSA-N -1 0 376.453 3.643 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000237964469 570417707 /nfs/dbraw/zinc/41/77/07/570417707.db2.gz WYNCQUOBGOBZCL-CFVMTHIKSA-N -1 0 385.382 3.792 50 0 GHAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCCCC3)[nH]c2C[C@@H]1C ZINC000004916932 570418343 /nfs/dbraw/zinc/41/83/43/570418343.db2.gz MHHZRJRWCRQQHM-BLLLJJGKSA-N -1 0 375.465 3.757 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000238021396 570419856 /nfs/dbraw/zinc/41/98/56/570419856.db2.gz SKSXVSIGVYFPHK-CYBMUJFWSA-N -1 0 395.381 3.608 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000238067408 570423030 /nfs/dbraw/zinc/42/30/30/570423030.db2.gz NODVOFOMCUTHTF-CVEARBPZSA-N -1 0 385.410 3.713 50 0 GHAARM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005100889 570429283 /nfs/dbraw/zinc/42/92/83/570429283.db2.gz WOHGJIWWPZOXPP-LHBDJYESSA-N -1 0 389.451 3.522 50 0 GHAARM COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002759742 570513706 /nfs/dbraw/zinc/51/37/06/570513706.db2.gz HIOPPCSKKYOQFP-MNOVXSKESA-N -1 0 391.470 3.869 50 0 GHAARM CCOc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1Br ZINC000010272137 570567322 /nfs/dbraw/zinc/56/73/22/570567322.db2.gz HGULXIYIPSUFIJ-UHFFFAOYSA-N -1 0 396.266 3.525 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F ZINC000038528707 570580532 /nfs/dbraw/zinc/58/05/32/570580532.db2.gz WCJXAGGMJPEDDU-MRXNPFEDSA-N -1 0 379.334 3.931 50 0 GHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920326 570591029 /nfs/dbraw/zinc/59/10/29/570591029.db2.gz VVUOROOWDQSINI-UHFFFAOYSA-N -1 0 379.438 3.924 50 0 GHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)s2)o1 ZINC000064920117 570591257 /nfs/dbraw/zinc/59/12/57/570591257.db2.gz CERVQTYOZJSGAE-UHFFFAOYSA-N -1 0 388.430 3.562 50 0 GHAARM O=S(=O)([N-]c1ncc(-c2cncc(F)c2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000225743851 570612460 /nfs/dbraw/zinc/61/24/60/570612460.db2.gz XBQJTWVRGVPYEI-UHFFFAOYSA-N -1 0 399.234 3.785 50 0 GHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)c1 ZINC000064958523 570614996 /nfs/dbraw/zinc/61/49/96/570614996.db2.gz BAVZQWIFGDQCQF-UHFFFAOYSA-N -1 0 390.417 3.529 50 0 GHAARM COc1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=NN1C(=O)CCC(=O)[O-] ZINC000225848249 570626123 /nfs/dbraw/zinc/62/61/23/570626123.db2.gz LXUUQBMUMFBHGG-KRWDZBQOSA-N -1 0 386.835 3.891 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc(OC)c1 ZINC000065031230 570651604 /nfs/dbraw/zinc/65/16/04/570651604.db2.gz RCTHVIBAIMXIRX-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CCSc1nnc(-c2ccccc2NC(=O)c2ccncc2Cl)c(=O)[n-]1 ZINC000055107719 570682859 /nfs/dbraw/zinc/68/28/59/570682859.db2.gz BKGCQKMRTTVRJB-UHFFFAOYSA-N -1 0 387.852 3.657 50 0 GHAARM Cc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)n2C)o1 ZINC000065186489 570724858 /nfs/dbraw/zinc/72/48/58/570724858.db2.gz LBWOSBQCXNSWGZ-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000013095766 570746089 /nfs/dbraw/zinc/74/60/89/570746089.db2.gz RLKFBLWNXBVTPV-SFHVURJKSA-N -1 0 398.390 3.632 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)ccc1F ZINC000065246427 570747777 /nfs/dbraw/zinc/74/77/77/570747777.db2.gz DXSNZRIKSVQTNN-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM CCn1nc(C)c(-c2cc(C(=O)[O-])n3nc(C)c(-c4ccccc4)c3n2)c1C ZINC000013645299 570765971 /nfs/dbraw/zinc/76/59/71/570765971.db2.gz VURVJSAWKUEAOM-UHFFFAOYSA-N -1 0 375.432 3.903 50 0 GHAARM CN1C[C@@H](n2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])CCC1=O ZINC000065406640 570767107 /nfs/dbraw/zinc/76/71/07/570767107.db2.gz JJSOYWGNHSXMBL-INIZCTEOSA-N -1 0 375.428 3.709 50 0 GHAARM CCn1c(=O)c(-c2nc(-c3cccc(OC)c3)no2)c([O-])c2ccc(F)cc21 ZINC000101724799 570829659 /nfs/dbraw/zinc/82/96/59/570829659.db2.gz CNEPCDWBVDBMHE-UHFFFAOYSA-N -1 0 381.363 3.592 50 0 GHAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253455 570861457 /nfs/dbraw/zinc/86/14/57/570861457.db2.gz PHHILIIQAHLYQU-UHFFFAOYSA-N -1 0 396.468 3.822 50 0 GHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004026983 570907505 /nfs/dbraw/zinc/90/75/05/570907505.db2.gz MJDYUFYIOGAURV-JOIWDNIXSA-N -1 0 385.504 3.771 50 0 biogenic GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000237972695 570945217 /nfs/dbraw/zinc/94/52/17/570945217.db2.gz BZXQNFYRNQRDEQ-ZDUSSCGKSA-N -1 0 395.381 3.608 50 0 GHAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237863934 570945244 /nfs/dbraw/zinc/94/52/44/570945244.db2.gz UDOCXJRRNBXCCG-UHFFFAOYSA-N -1 0 381.259 3.591 50 0 GHAARM Cc1cccc(-n2cc([O-])c(C(=O)N3CCCN(c4ccccc4)CC3)n2)c1C ZINC000170656829 571000118 /nfs/dbraw/zinc/00/01/18/571000118.db2.gz JRCHXUHWXOYPIL-UHFFFAOYSA-N -1 0 390.487 3.547 50 0 GHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2cc(C)ccc2O)cc1 ZINC000084147577 571003209 /nfs/dbraw/zinc/00/32/09/571003209.db2.gz DJHNVOXGWWRSOD-UHFFFAOYSA-N -1 0 386.429 3.697 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000299746373 861288831 /nfs/dbraw/zinc/28/88/31/861288831.db2.gz WYNCQUOBGOBZCL-AEGPPILISA-N -1 0 385.382 3.792 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N(CCC(F)(F)F)C3CCCC3)cc2=O)cc1 ZINC000888092705 842442998 /nfs/dbraw/zinc/44/29/98/842442998.db2.gz MMOWDKONUVDCQV-UHFFFAOYSA-N -1 0 381.398 3.811 50 0 GHAARM O=C([O-])c1cccc(Cn2c(=O)sc(C=NNc3ccccc3)c2Cl)c1 ZINC000254391059 842866516 /nfs/dbraw/zinc/86/65/16/842866516.db2.gz FTRYOLWOFSWBTH-UHFFFAOYSA-N -1 0 387.848 3.756 50 0 GHAARM CSc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000002643404 861459469 /nfs/dbraw/zinc/45/94/69/861459469.db2.gz AFXACOWZTDHDGP-UHFFFAOYSA-N -1 0 394.499 3.590 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 ZINC000079112537 849316505 /nfs/dbraw/zinc/31/65/05/849316505.db2.gz QJTHMVULEGAUSB-CQSZACIVSA-N -1 0 391.221 3.585 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1ccccc1 ZINC000003169448 862229498 /nfs/dbraw/zinc/22/94/98/862229498.db2.gz BNHZFBKIEIPSHA-UHFFFAOYSA-N -1 0 392.440 3.880 50 0 GHAARM CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000003215321 862257539 /nfs/dbraw/zinc/25/75/39/862257539.db2.gz UBRTYCJYHIUUNX-UHFFFAOYSA-N -1 0 384.432 3.903 50 0 GHAARM Cc1ccnc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)c1 ZINC000002330447 855242781 /nfs/dbraw/zinc/24/27/81/855242781.db2.gz WVDAOKMUCPLKAP-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)Nc1ccccc1F ZINC000008195598 856055388 /nfs/dbraw/zinc/05/53/88/856055388.db2.gz UTBHXNZXCXHWHD-UHFFFAOYSA-N -1 0 392.437 3.727 50 0 GHAARM CC(C)n1nc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c2ccccc2c1=O ZINC000008191204 856055416 /nfs/dbraw/zinc/05/54/16/856055416.db2.gz WKKPWHCEIXCUPO-UHFFFAOYSA-N -1 0 385.807 3.581 50 0 GHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)s2)n[nH]1 ZINC000009686611 857305864 /nfs/dbraw/zinc/30/58/64/857305864.db2.gz CUFCVHXVHYHOAM-UHFFFAOYSA-N -1 0 386.458 3.902 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000027825417 858523799 /nfs/dbraw/zinc/52/37/99/858523799.db2.gz DYRQKDGRCBUKLQ-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM CCOc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)ncn1 ZINC000077100990 859509076 /nfs/dbraw/zinc/50/90/76/859509076.db2.gz ZUSSFBUCXSAXRZ-UHFFFAOYSA-N -1 0 382.656 3.636 50 0 GHAARM CCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000013347643 859888640 /nfs/dbraw/zinc/88/86/40/859888640.db2.gz OJWWCEJBVCCSOF-UHFFFAOYSA-N -1 0 390.490 3.547 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1 ZINC000013348661 859889939 /nfs/dbraw/zinc/88/99/39/859889939.db2.gz RFFQAKRWJWBYTQ-UHFFFAOYSA-N -1 0 396.881 3.965 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c(Br)c1 ZINC000002129540 884399575 /nfs/dbraw/zinc/39/95/75/884399575.db2.gz VXQCKJKWHMGFKV-UHFFFAOYSA-N -1 0 399.244 3.586 50 0 GHAARM COc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1OC(F)F ZINC000621586703 885301516 /nfs/dbraw/zinc/30/15/16/885301516.db2.gz JYZNLKIBEHUIHJ-GJZGRUSLSA-N -1 0 391.370 3.727 50 0 GHAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000263173370 892461414 /nfs/dbraw/zinc/46/14/14/892461414.db2.gz SJFFELKJEPFMLH-GDBMZVCRSA-N -1 0 381.432 3.513 50 0 GHAARM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@@H]1C(=O)[O-] ZINC000630569131 903449483 /nfs/dbraw/zinc/44/94/83/903449483.db2.gz VUROMXUTMKBGSW-AAEUAGOBSA-N -1 0 391.374 3.727 50 0 GHAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000079487212 907907901 /nfs/dbraw/zinc/90/79/01/907907901.db2.gz YIMPFIPHYKDECP-INIZCTEOSA-N -1 0 387.461 3.804 50 0 GHAARM O=C([O-])[C@@]12CN(C(=O)c3ccncc3Cl)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426369842 231208408 /nfs/dbraw/zinc/20/84/08/231208408.db2.gz CJYKPMYVZIVCRY-QYWGDWMGSA-N -1 0 384.863 3.846 50 0 GHAARM O=C([O-])[C@@]12CN(C(=O)CCc3cccnc3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426519214 231234419 /nfs/dbraw/zinc/23/44/19/231234419.db2.gz HQDUTPZMPPIISQ-JTAQYXEDSA-N -1 0 378.472 3.511 50 0 GHAARM O=C([O-])C1(O)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000216757443 206251798 /nfs/dbraw/zinc/25/17/98/206251798.db2.gz CQJLHEBCFFOGRN-UHFFFAOYSA-N -1 0 384.023 3.513 50 0 GHAARM Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001125051 206355760 /nfs/dbraw/zinc/35/57/60/206355760.db2.gz ASVQWLATYSEUSW-CPNJWEJPSA-N -1 0 390.395 3.696 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3cccc(F)c3)c(=O)c12 ZINC000010166806 206374691 /nfs/dbraw/zinc/37/46/91/206374691.db2.gz GWXMMINJORJWIC-UHFFFAOYSA-N -1 0 376.391 3.722 50 0 GHAARM COc1cc(OC)c(NC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])cc1Cl ZINC000002461780 206417631 /nfs/dbraw/zinc/41/76/31/206417631.db2.gz SMBYPJNFAQZWHQ-UHFFFAOYSA-N -1 0 388.807 3.718 50 0 GHAARM COc1ccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1OC ZINC000004920256 206571653 /nfs/dbraw/zinc/57/16/53/206571653.db2.gz DGZVUSKKPSWUSO-UHFFFAOYSA-N -1 0 388.807 3.718 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081494 207085693 /nfs/dbraw/zinc/08/56/93/207085693.db2.gz QIFFDJXSMDUZDZ-LSDHHAIUSA-N -1 0 398.484 3.736 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C(=O)OC ZINC000017077598 207081970 /nfs/dbraw/zinc/08/19/70/207081970.db2.gz DLDWQBATFDXEHC-KGLIPLIRSA-N -1 0 379.478 3.791 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017077592 207082955 /nfs/dbraw/zinc/08/29/55/207082955.db2.gz RQJJTONXJMPSKV-ZIAGYGMSSA-N -1 0 379.478 3.927 50 0 GHAARM C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080218 207083370 /nfs/dbraw/zinc/08/33/70/207083370.db2.gz RCMKIWSSWOPFQF-LBPRGKRZSA-N -1 0 392.521 3.739 50 0 GHAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017080223 207084183 /nfs/dbraw/zinc/08/41/83/207084183.db2.gz QJFZHFAEMLBJIU-LBPRGKRZSA-N -1 0 392.521 3.739 50 0 GHAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)c1 ZINC000017207401 207088136 /nfs/dbraw/zinc/08/81/36/207088136.db2.gz MEKUCHQKXBAKLQ-UHFFFAOYSA-N -1 0 394.456 3.944 50 0 GHAARM CCCCOc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019941843 207172335 /nfs/dbraw/zinc/17/23/35/207172335.db2.gz KQFORSWLJKPCIN-GOSISDBHSA-N -1 0 399.468 3.988 50 0 GHAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000020574821 207204085 /nfs/dbraw/zinc/20/40/85/207204085.db2.gz SMWCNZLYZKCVSU-UHFFFAOYSA-N -1 0 390.383 3.628 50 0 GHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)o2)n[nH]1 ZINC000021886637 207241148 /nfs/dbraw/zinc/24/11/48/207241148.db2.gz MALUZUXIRFARNX-UHFFFAOYSA-N -1 0 382.239 3.541 50 0 GHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1 ZINC000023172626 207271020 /nfs/dbraw/zinc/27/10/20/207271020.db2.gz ZIBCRFHGNLDBNK-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM O=C(NCc1cccs1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000023723201 207281868 /nfs/dbraw/zinc/28/18/68/207281868.db2.gz UTKTUPQTHOGNFP-UHFFFAOYSA-N -1 0 378.500 3.540 50 0 GHAARM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1cnn(-c2ccccc2)c1 ZINC000058051823 207761087 /nfs/dbraw/zinc/76/10/87/207761087.db2.gz ISPJNADREDRCNC-UHFFFAOYSA-N -1 0 381.429 3.988 50 0 GHAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)cc1 ZINC000065150463 207837894 /nfs/dbraw/zinc/83/78/94/207837894.db2.gz VQXBCISKTMOLHF-SNVBAGLBSA-N -1 0 384.457 3.681 50 0 GHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000095962338 208245893 /nfs/dbraw/zinc/24/58/93/208245893.db2.gz DRVCNHNGQJQLIZ-UHFFFAOYSA-N -1 0 391.449 3.573 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1-c1nc(C2CC2)no1 ZINC000096379848 208311925 /nfs/dbraw/zinc/31/19/25/208311925.db2.gz VITSIDYAQKOAAB-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM O=C(Nc1cccc(Br)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662846 208378392 /nfs/dbraw/zinc/37/83/92/208378392.db2.gz AGDGHCXZVDTGSM-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM CC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101090200 208385693 /nfs/dbraw/zinc/38/56/93/208385693.db2.gz UNFXWYDFAAANHU-GHRIWEEISA-N -1 0 387.867 3.677 50 0 GHAARM Cc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccc(F)cc1 ZINC000100071941 208371300 /nfs/dbraw/zinc/37/13/00/208371300.db2.gz MFRWCBGLMSQJNL-UHFFFAOYSA-N -1 0 381.436 3.528 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NCCOc1ccccc1Cl ZINC000100167687 208373091 /nfs/dbraw/zinc/37/30/91/208373091.db2.gz OOPVGCYERJXBMK-QGZVFWFLSA-N -1 0 399.878 3.654 50 0 GHAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000101298511 208389473 /nfs/dbraw/zinc/38/94/73/208389473.db2.gz PRDZRJHKZIXXBE-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM CCC(CC)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000015615470 208793176 /nfs/dbraw/zinc/79/31/76/208793176.db2.gz PPZWJHWSONXYIU-UHFFFAOYSA-N -1 0 390.505 3.723 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCCCCC1 ZINC000015858720 221348556 /nfs/dbraw/zinc/34/85/56/221348556.db2.gz UVKASKMGLPMUOU-UHFFFAOYSA-N -1 0 396.516 3.955 50 0 GHAARM COc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000064589163 136157068 /nfs/dbraw/zinc/15/70/68/136157068.db2.gz IBZTVIMVGXPBMU-UHFFFAOYSA-N -1 0 382.460 3.811 50 0 biogenic GHAARM O=C([O-])c1cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)nc2ccccc21 ZINC000095519103 136180830 /nfs/dbraw/zinc/18/08/30/136180830.db2.gz FNZDCXFJPOXWJY-MRXNPFEDSA-N -1 0 376.460 3.924 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)s1 ZINC000008840856 136195677 /nfs/dbraw/zinc/19/56/77/136195677.db2.gz JBYUZFSMIMOCCG-UHFFFAOYSA-N -1 0 378.519 3.793 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626190 570223150 /nfs/dbraw/zinc/22/31/50/570223150.db2.gz KKFIOOCFRZAMTO-HNNXBMFYSA-N -1 0 378.448 3.904 50 0 GHAARM CS(=O)(=O)n1[n-]c(=Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 ZINC000575442861 570313095 /nfs/dbraw/zinc/31/30/95/570313095.db2.gz HAELBXJMBFECNE-UHFFFAOYSA-N -1 0 397.287 3.907 50 0 GHAARM COc1cc([C@@H](CC(=O)[O-])CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000004377494 570372246 /nfs/dbraw/zinc/37/22/46/570372246.db2.gz WIIHPKAAFQLZGR-OAHLLOKOSA-N -1 0 387.432 3.608 50 0 GHAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006362156 570401339 /nfs/dbraw/zinc/40/13/39/570401339.db2.gz MGDGEASATCBABI-MRXNPFEDSA-N -1 0 380.469 3.978 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2cn3c(n2)SCC3)cc1)c1cc(F)ccc1F ZINC000005084105 570413998 /nfs/dbraw/zinc/41/39/98/570413998.db2.gz BMNPLONXIHVBEJ-UHFFFAOYSA-N -1 0 393.440 3.735 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000237962309 570417749 /nfs/dbraw/zinc/41/77/49/570417749.db2.gz WYNCQUOBGOBZCL-NWANDNLSSA-N -1 0 385.382 3.792 50 0 GHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C ZINC000011866855 570441859 /nfs/dbraw/zinc/44/18/59/570441859.db2.gz XIBDKTHWNZRHSZ-KRWDZBQOSA-N -1 0 399.443 3.622 50 0 GHAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000128500582 570461443 /nfs/dbraw/zinc/46/14/43/570461443.db2.gz DTNWUGWNOZYIQS-LLVKDONJSA-N -1 0 384.379 3.766 50 0 GHAARM COc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000033608418 570528318 /nfs/dbraw/zinc/52/83/18/570528318.db2.gz BIGHNVSRBRABMR-UHFFFAOYSA-N -1 0 399.424 3.987 50 0 GHAARM CN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000032962258 570542955 /nfs/dbraw/zinc/54/29/55/570542955.db2.gz QVQOVVZWGYXLPL-UHFFFAOYSA-N -1 0 376.478 3.549 50 0 GHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccnc2)CC(=O)N3)cc1 ZINC000064797258 570546925 /nfs/dbraw/zinc/54/69/25/570546925.db2.gz AMKAZIMXTBEYSX-AWEZNQCLSA-N -1 0 380.425 3.991 50 0 GHAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc3c(c2)OCO3)on1 ZINC000064845531 570565494 /nfs/dbraw/zinc/56/54/94/570565494.db2.gz GCNDETUEHGGRHR-UHFFFAOYSA-N -1 0 392.458 3.858 50 0 GHAARM CCc1nn2c(ncc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397481 570601362 /nfs/dbraw/zinc/60/13/62/570601362.db2.gz NBQNCTCWINVWKI-LLVKDONJSA-N -1 0 396.834 3.573 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1Br ZINC000041095703 570615110 /nfs/dbraw/zinc/61/51/10/570615110.db2.gz SDZFDQFFQGLLGA-UHFFFAOYSA-N -1 0 375.675 3.915 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)no2)cc1OC ZINC000064979480 570623685 /nfs/dbraw/zinc/62/36/85/570623685.db2.gz GUDAIQFAOVWIHD-UHFFFAOYSA-N -1 0 388.445 3.858 50 0 GHAARM O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCCC3)cn(Cc3ccccc3)c2c1 ZINC000036360431 570642114 /nfs/dbraw/zinc/64/21/14/570642114.db2.gz SIVOMLJONRRPBG-HXUWFJFHSA-N -1 0 378.428 3.609 50 0 GHAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000036360621 570643149 /nfs/dbraw/zinc/64/31/49/570643149.db2.gz FVKNDCUUTCGGRN-UHFFFAOYSA-N -1 0 377.853 3.649 50 0 GHAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)s2)c1C ZINC000065031327 570652089 /nfs/dbraw/zinc/65/20/89/570652089.db2.gz BTGSSPFJTJXXKA-UHFFFAOYSA-N -1 0 378.431 3.549 50 0 GHAARM Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000055099118 570682336 /nfs/dbraw/zinc/68/23/36/570682336.db2.gz DSRFOIRNLSHMMU-UHFFFAOYSA-N -1 0 393.834 3.794 50 0 GHAARM CCC(CC)(CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)[O-] ZINC000011163668 570709752 /nfs/dbraw/zinc/70/97/52/570709752.db2.gz TZRWNZASFZAZGZ-UHFFFAOYSA-N -1 0 384.480 3.891 50 0 GHAARM Cc1ccc(NC(=O)c2ccc(I)cc2)c(C(=O)[O-])c1 ZINC000005927227 570736317 /nfs/dbraw/zinc/73/63/17/570736317.db2.gz JQTZDANCCZTHGV-UHFFFAOYSA-N -1 0 381.169 3.550 50 0 GHAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000007002729 570737458 /nfs/dbraw/zinc/73/74/58/570737458.db2.gz MWKGCZNJUOUDMZ-UHFFFAOYSA-N -1 0 384.885 3.581 50 0 GHAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000013072226 570745088 /nfs/dbraw/zinc/74/50/88/570745088.db2.gz YTPAZYLUMYZBBX-GOSISDBHSA-N -1 0 398.390 3.632 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1OCC ZINC000007050919 570770300 /nfs/dbraw/zinc/77/03/00/570770300.db2.gz PCGCYVIMEMBJQW-UHFFFAOYSA-N -1 0 375.368 3.702 50 0 GHAARM CC(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078588 570804934 /nfs/dbraw/zinc/80/49/34/570804934.db2.gz AECQEWFOOMOYHF-UHFFFAOYSA-N -1 0 387.867 3.632 50 0 GHAARM CC(C)(C)c1ccc(OCCOC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000018263422 570812197 /nfs/dbraw/zinc/81/21/97/570812197.db2.gz ICDNRRMPBDXQOQ-UHFFFAOYSA-N -1 0 391.489 3.591 50 0 GHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238923664 570814216 /nfs/dbraw/zinc/81/42/16/570814216.db2.gz PGJORMIZYMVDME-JOCQHMNTSA-N -1 0 376.453 3.878 50 0 GHAARM O=C(Nc1cccc(F)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101301832 570818629 /nfs/dbraw/zinc/81/86/29/570818629.db2.gz OEEGCXGSMKICKI-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000013041014 570819336 /nfs/dbraw/zinc/81/93/36/570819336.db2.gz MWWYEQCNCGWMHN-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM O=C(NC1CCCCC1)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680033 570826005 /nfs/dbraw/zinc/82/60/05/570826005.db2.gz BBDDVUYKTZDDEI-SFHVURJKSA-N -1 0 390.842 3.514 50 0 GHAARM O=C(Nc1ccccc1F)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722358 570829837 /nfs/dbraw/zinc/82/98/37/570829837.db2.gz QVQGJMFUKLZFHP-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM CCc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723551 570830283 /nfs/dbraw/zinc/83/02/83/570830283.db2.gz SHNQXVSQSCLRTE-UHFFFAOYSA-N -1 0 385.423 3.906 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000004717962 570856586 /nfs/dbraw/zinc/85/65/86/570856586.db2.gz KMXJTEFNXLQJLV-CYBMUJFWSA-N -1 0 382.199 3.668 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@H](c2cccc(Cl)c2)C1 ZINC000102901169 570870945 /nfs/dbraw/zinc/87/09/45/570870945.db2.gz FNOKUEAXIKJGTL-KRWDZBQOSA-N -1 0 394.818 3.772 50 0 GHAARM COc1ccc(OC)c(Nc2nc(C)cc(Nc3ccccc3C(=O)[O-])n2)c1 ZINC000170621828 570877408 /nfs/dbraw/zinc/87/74/08/570877408.db2.gz AYXQIYGSQCCLKK-UHFFFAOYSA-N -1 0 380.404 3.988 50 0 GHAARM O=S(=O)(NCCc1cccs1)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263939 570881507 /nfs/dbraw/zinc/88/15/07/570881507.db2.gz QTCWTMMZQAUKHG-UHFFFAOYSA-N -1 0 392.380 3.536 50 0 GHAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000170638401 570939589 /nfs/dbraw/zinc/93/95/89/570939589.db2.gz GYCZITUIXUZYDS-UHFFFAOYSA-N -1 0 393.443 3.702 50 0 GHAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc12 ZINC000002108347 570949455 /nfs/dbraw/zinc/94/94/55/570949455.db2.gz PCCIXNXLNWQTIC-KRWDZBQOSA-N -1 0 399.443 3.704 50 0 biogenic GHAARM Cc1cc(OCc2nnc(SCC(=O)[O-])n2-c2ccccc2)ccc1Cl ZINC000004125115 570960231 /nfs/dbraw/zinc/96/02/31/570960231.db2.gz JFSDLNKCKAUERU-UHFFFAOYSA-N -1 0 389.864 3.985 50 0 GHAARM O=C([O-])CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CCOCC1 ZINC000238078428 600964305 /nfs/dbraw/zinc/96/43/05/600964305.db2.gz OPFKXVWKTMZZCM-UHFFFAOYSA-N -1 0 389.398 3.728 50 0 GHAARM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)c2c1 ZINC000190804004 601563144 /nfs/dbraw/zinc/56/31/44/601563144.db2.gz FEIWKQWHJDTRFR-KRWDZBQOSA-N -1 0 396.487 3.825 50 0 GHAARM COc1ccc(-c2cnc(CCC(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])o2)cc1 ZINC000299751813 861290509 /nfs/dbraw/zinc/29/05/09/861290509.db2.gz RWRTXHAMADXNTH-JQHSSLGASA-N -1 0 398.459 3.527 50 0 GHAARM Cc1ccc(CNC(=O)CCCCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002925461 861799736 /nfs/dbraw/zinc/79/97/36/861799736.db2.gz BGTBBNMYFXLQQM-UHFFFAOYSA-N -1 0 387.530 3.916 50 0 GHAARM O=C([O-])CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000002330818 855243234 /nfs/dbraw/zinc/24/32/34/855243234.db2.gz XGMQENGSCBOLDI-SFQUDFHCSA-N -1 0 383.425 3.777 50 0 GHAARM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000008840853 856380829 /nfs/dbraw/zinc/38/08/29/856380829.db2.gz OASNQLJEIIJJTI-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCSc1ccc(F)cc1 ZINC000009550283 857229380 /nfs/dbraw/zinc/22/93/80/857229380.db2.gz CUYDLBXHNIKXFP-SFHVURJKSA-N -1 0 386.448 3.601 50 0 GHAARM CS(=O)(=O)[N-]c1nc2cc(NC(=O)Nc3ccccc3Cl)ccc2s1 ZINC000013347408 859888667 /nfs/dbraw/zinc/88/86/67/859888667.db2.gz OHFZGPOUQSXCMK-UHFFFAOYSA-N -1 0 396.881 3.965 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCC(C)C)c1 ZINC000007814351 883723248 /nfs/dbraw/zinc/72/32/48/883723248.db2.gz DNEGNLURBFGISL-UHFFFAOYSA-N -1 0 376.478 3.871 50 0 GHAARM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1OC(F)F ZINC000621588472 885305163 /nfs/dbraw/zinc/30/51/63/885305163.db2.gz YRHGHWDYIWDWDO-JKSUJKDBSA-N -1 0 375.371 3.647 50 0 GHAARM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc(C)c1OC(F)F ZINC000262781753 892344968 /nfs/dbraw/zinc/34/49/68/892344968.db2.gz BDLREJOCKNUACD-SJORKVTESA-N -1 0 389.398 3.845 50 0 GHAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227726121 206259696 /nfs/dbraw/zinc/25/96/96/206259696.db2.gz BPXUOULXXLAUFS-PGUXBMHVSA-N -1 0 392.912 3.657 50 0 GHAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)ccc1O ZINC000253401968 206283241 /nfs/dbraw/zinc/28/32/41/206283241.db2.gz FYIIAOADVAZCFU-INIZCTEOSA-N -1 0 390.391 3.778 50 0 biogenic GHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000627683 206309968 /nfs/dbraw/zinc/30/99/68/206309968.db2.gz UPBLVUJDXARXED-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1Cl ZINC000000718658 206319043 /nfs/dbraw/zinc/31/90/43/206319043.db2.gz NRKFZSMPWRLLHJ-YOEHRIQHSA-N -1 0 379.865 3.716 50 0 GHAARM O=C([O-])c1cccc(Nc2ncnc3ccc(I)cc32)c1 ZINC000000955112 206337530 /nfs/dbraw/zinc/33/75/30/206337530.db2.gz FYFRRJNXVZDEGQ-UHFFFAOYSA-N -1 0 391.168 3.676 50 0 GHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000000953558 206337832 /nfs/dbraw/zinc/33/78/32/206337832.db2.gz DDTGJTCEKLOLRD-QGZVFWFLSA-N -1 0 377.462 3.565 50 0 GHAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1 ZINC000001041519 206344590 /nfs/dbraw/zinc/34/45/90/206344590.db2.gz GMWNQDTXFHCFJL-PMACEKPBSA-N -1 0 376.387 3.786 50 0 GHAARM Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000001055006 206347697 /nfs/dbraw/zinc/34/76/97/206347697.db2.gz IRGQXNRWQPJVEO-UHFFFAOYSA-N -1 0 387.486 3.813 50 0 GHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001293499 206372010 /nfs/dbraw/zinc/37/20/10/206372010.db2.gz SFAVWSRLYWXUHX-UHFFFAOYSA-N -1 0 384.819 3.568 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)N3CCc4ccccc43)c(=O)c12 ZINC000010166796 206374553 /nfs/dbraw/zinc/37/45/53/206374553.db2.gz MEQQXYIEJACKMK-UHFFFAOYSA-N -1 0 384.439 3.534 50 0 GHAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000001159901 206362509 /nfs/dbraw/zinc/36/25/09/206362509.db2.gz YULSTBACVVKRPJ-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)no1 ZINC000005091174 206590531 /nfs/dbraw/zinc/59/05/31/206590531.db2.gz RQZXRKDDMOWHSE-UHFFFAOYSA-N -1 0 388.474 3.593 50 0 GHAARM Cn1cc(C(=O)c2cc(Cl)ccc2[O-])cc1-c1nc2ccsc2c(=O)[nH]1 ZINC000014139663 207012180 /nfs/dbraw/zinc/01/21/80/207012180.db2.gz MYFUGLMFDRXFOW-UHFFFAOYSA-N -1 0 385.832 3.580 50 0 GHAARM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000014867639 207031130 /nfs/dbraw/zinc/03/11/30/207031130.db2.gz JEZPWNGESBFZMB-UHFFFAOYSA-N -1 0 394.301 3.506 50 0 GHAARM CCc1cccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015827072 207064043 /nfs/dbraw/zinc/06/40/43/207064043.db2.gz SPOCSBGESGLHAD-AWEZNQCLSA-N -1 0 385.489 3.626 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)cc1 ZINC000016130942 207072635 /nfs/dbraw/zinc/07/26/35/207072635.db2.gz KNLWLYJVWGNOEP-UHFFFAOYSA-N -1 0 388.489 3.654 50 0 GHAARM C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017080222 207083959 /nfs/dbraw/zinc/08/39/59/207083959.db2.gz QJFZHFAEMLBJIU-GFCCVEGCSA-N -1 0 392.521 3.739 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000026544210 207315660 /nfs/dbraw/zinc/31/56/60/207315660.db2.gz BCIUFWQMZAXFIT-UHFFFAOYSA-N -1 0 376.409 3.810 50 0 GHAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)c2)cc1 ZINC000095466054 208188392 /nfs/dbraw/zinc/18/83/92/208188392.db2.gz GFCIBCLEHNFZLA-UHFFFAOYSA-N -1 0 389.454 3.679 50 0 GHAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101168124 208387386 /nfs/dbraw/zinc/38/73/86/208387386.db2.gz DNBUATFXBNGHIX-GJZGRUSLSA-N -1 0 393.205 3.626 50 0 GHAARM CCOC(=O)C(C=Nc1scc(-c2ccccc2)c1C(=O)[O-])C(=O)OCC ZINC000100063633 208372119 /nfs/dbraw/zinc/37/21/19/208372119.db2.gz YPLRADGLEFRRJF-UHFFFAOYSA-N -1 0 389.429 3.535 50 0 GHAARM CCOc1ccc(-c2nc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000236860837 208396241 /nfs/dbraw/zinc/39/62/41/208396241.db2.gz RRJRXFMDJCMAAI-CQSZACIVSA-N -1 0 388.489 3.926 50 0 GHAARM CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1cccc(Br)c1 ZINC000000819048 208481549 /nfs/dbraw/zinc/48/15/49/208481549.db2.gz NTIKWEMNMJCFEY-NEPJUHHUSA-N -1 0 388.283 3.885 50 0 GHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc1c2C ZINC000002156074 208501151 /nfs/dbraw/zinc/50/11/51/208501151.db2.gz LWULNBKBMJODHO-KRWDZBQOSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM O=C([O-])Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000009153847 221071951 /nfs/dbraw/zinc/07/19/51/221071951.db2.gz BLQGRXZNJJHHHV-UHFFFAOYSA-N -1 0 391.423 3.655 50 0 GHAARM Cc1cccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])c1 ZINC000064589181 136157105 /nfs/dbraw/zinc/15/71/05/136157105.db2.gz XMDHVNUPNICQBF-UHFFFAOYSA-N -1 0 382.460 3.947 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC000065184024 222106912 /nfs/dbraw/zinc/10/69/12/222106912.db2.gz WZLFVVLWEAPPJA-UHFFFAOYSA-N -1 0 394.522 3.594 50 0 GHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](C)C(=O)[O-])c(=O)oc12 ZINC000006075910 570234652 /nfs/dbraw/zinc/23/46/52/570234652.db2.gz MSAREGPJKYRNTH-GFCCVEGCSA-N -1 0 399.443 3.585 50 0 GHAARM CCc1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000049003325 570261647 /nfs/dbraw/zinc/26/16/47/570261647.db2.gz YHTYWQSPAWEKPD-UHFFFAOYSA-N -1 0 398.488 3.642 50 0 GHAARM O=C([O-])CCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000002330820 570282908 /nfs/dbraw/zinc/28/29/08/570282908.db2.gz XGMQENGSCBOLDI-ATVHPVEESA-N -1 0 383.425 3.777 50 0 GHAARM CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000002373014 570284626 /nfs/dbraw/zinc/28/46/26/570284626.db2.gz WOWOUHYSSLRNCJ-HNNXBMFYSA-N -1 0 390.509 3.741 50 0 GHAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000002380870 570285009 /nfs/dbraw/zinc/28/50/09/570285009.db2.gz TWEDEGPJOASCRM-UHFFFAOYSA-N -1 0 379.652 3.547 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)c1C ZINC000079075835 570304195 /nfs/dbraw/zinc/30/41/95/570304195.db2.gz GTDDLSNIHPUVDH-UHFFFAOYSA-N -1 0 389.351 3.527 50 0 GHAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000002879185 570315224 /nfs/dbraw/zinc/31/52/24/570315224.db2.gz RSFBXZYWCAYWBX-GFCCVEGCSA-N -1 0 397.239 3.511 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000045258031 570324094 /nfs/dbraw/zinc/32/40/94/570324094.db2.gz IHNOYALGNIQKKQ-UHFFFAOYSA-N -1 0 393.262 3.807 50 0 GHAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103601 570328799 /nfs/dbraw/zinc/32/87/99/570328799.db2.gz GAHFNPYQQWTCBG-OAHLLOKOSA-N -1 0 390.745 3.597 50 0 GHAARM CC(C)[C@@H](C(=O)[O-])C(=O)NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000220973927 570391093 /nfs/dbraw/zinc/39/10/93/570391093.db2.gz IRQWEUCLRQOOPC-VYBOSXCSSA-N -1 0 383.488 3.768 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000035557090 570396008 /nfs/dbraw/zinc/39/60/08/570396008.db2.gz YEEHQIAFIMVLIV-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1)CCCC2 ZINC000006362195 570401378 /nfs/dbraw/zinc/40/13/78/570401378.db2.gz YQVHUGBLOOPOOW-UHFFFAOYSA-N -1 0 395.502 3.531 50 0 GHAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000004809495 570407028 /nfs/dbraw/zinc/40/70/28/570407028.db2.gz KZXVRDLMMKPPQV-UHFFFAOYSA-N -1 0 378.519 3.739 50 0 GHAARM O=S(=O)([N-]c1ccccn1)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000011990858 570452370 /nfs/dbraw/zinc/45/23/70/570452370.db2.gz BOFXVZDMKZVDGA-UHFFFAOYSA-N -1 0 377.429 3.569 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000064472968 570467612 /nfs/dbraw/zinc/46/76/12/570467612.db2.gz OUYLDGPJIRUSQO-UHFFFAOYSA-N -1 0 391.880 3.952 50 0 GHAARM Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)nc2c1 ZINC000007344441 570503156 /nfs/dbraw/zinc/50/31/56/570503156.db2.gz MAYHWAPSFRYHEK-UHFFFAOYSA-N -1 0 375.837 3.954 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC)nn3)c2)s1 ZINC000005204199 570506098 /nfs/dbraw/zinc/50/60/98/570506098.db2.gz BILSEVNKXHOIMS-UHFFFAOYSA-N -1 0 375.475 3.577 50 0 GHAARM COc1ccc(CC2N=NC(=S)N2c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000006659227 570522795 /nfs/dbraw/zinc/52/27/95/570522795.db2.gz LCESFVKXLLCBRT-UHFFFAOYSA-N -1 0 375.837 3.507 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCOC(=O)c1cccc(C(F)(F)F)c1 ZINC000008672154 570536863 /nfs/dbraw/zinc/53/68/63/570536863.db2.gz UHFBUDYPJNXILO-UHFFFAOYSA-N -1 0 390.361 3.892 50 0 GHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000064837370 570558848 /nfs/dbraw/zinc/55/88/48/570558848.db2.gz DMCZVUDWXYCXLA-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM O=C([O-])c1ccccc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055228421 570688384 /nfs/dbraw/zinc/68/83/84/570688384.db2.gz BIMIETLAJZVORE-UHFFFAOYSA-N -1 0 376.412 3.711 50 0 GHAARM CCCCCn1c2ccccc2nc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000169854363 570724468 /nfs/dbraw/zinc/72/44/68/570724468.db2.gz MHTLJGSLNHDOIW-UHFFFAOYSA-N -1 0 389.521 3.642 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)c3ncccc23)cc1F ZINC000065242318 570747964 /nfs/dbraw/zinc/74/79/64/570747964.db2.gz VMMGXCQVRCKBER-UHFFFAOYSA-N -1 0 377.441 3.641 50 0 GHAARM CN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013677328 570772201 /nfs/dbraw/zinc/77/22/01/570772201.db2.gz LAVCNMCLMYEWTG-UHFFFAOYSA-N -1 0 386.498 3.821 50 0 GHAARM O=C([O-])c1n[nH]cc1CN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067819902 570792823 /nfs/dbraw/zinc/79/28/23/570792823.db2.gz MABPGYRLAOOTOT-UHFFFAOYSA-N -1 0 399.454 3.723 50 0 GHAARM O=C1N2CCSC2=N[C@@]1([N-]c1nc2ccc(Cl)cc2s1)C(F)(F)F ZINC000004686854 570831090 /nfs/dbraw/zinc/83/10/90/570831090.db2.gz NFPTWWHAHSVSCX-GFCCVEGCSA-N -1 0 392.815 3.565 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1nccs1 ZINC000012526279 570831176 /nfs/dbraw/zinc/83/11/76/570831176.db2.gz CTCURUVNXQMJAN-UHFFFAOYSA-N -1 0 391.449 3.644 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](C)C1 ZINC000012526446 570831379 /nfs/dbraw/zinc/83/13/79/570831379.db2.gz OSZFJDHYDRESBZ-CQSZACIVSA-N -1 0 390.480 3.807 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc4ccccc4n3)cc2[n-]c1=S ZINC000102404056 570848308 /nfs/dbraw/zinc/84/83/08/570848308.db2.gz AOOPRKROUKVKPD-UHFFFAOYSA-N -1 0 376.441 3.506 50 0 GHAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000004580814 570911619 /nfs/dbraw/zinc/91/16/19/570911619.db2.gz MDDXCTRUPTYJFR-OAHLLOKOSA-N -1 0 377.824 3.693 50 0 GHAARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000000665256 570950123 /nfs/dbraw/zinc/95/01/23/570950123.db2.gz SPXGKDMELWNCBN-ZHZULCJRSA-N -1 0 391.471 3.889 50 0 GHAARM O=C(c1nn(-c2ccccc2C(F)(F)F)cc1[O-])N1CCc2sccc2C1 ZINC000012216343 570964591 /nfs/dbraw/zinc/96/45/91/570964591.db2.gz VOZFAIMNUCGHDJ-UHFFFAOYSA-N -1 0 393.390 3.857 50 0 GHAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1ccc(F)c(F)c1 ZINC000252492395 570974937 /nfs/dbraw/zinc/97/49/37/570974937.db2.gz MKYPUQFUGLMLRT-UHFFFAOYSA-N -1 0 393.440 3.697 50 0 GHAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)s1 ZINC000046086716 571023144 /nfs/dbraw/zinc/02/31/44/571023144.db2.gz WSWSHCNSRPZNFU-UHFFFAOYSA-N -1 0 392.462 3.575 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007726614 571024413 /nfs/dbraw/zinc/02/44/13/571024413.db2.gz AGXSGXCAULLGIL-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000012521156 601318074 /nfs/dbraw/zinc/31/80/74/601318074.db2.gz PSRMSJNXRCBJHT-RUDMXATFSA-N -1 0 396.262 3.656 50 0 GHAARM CC(C)CCNC(=O)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000002973370 862077714 /nfs/dbraw/zinc/07/77/14/862077714.db2.gz PQIBTQYAPXLLFK-UHFFFAOYSA-N -1 0 381.501 3.509 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000057823574 862253398 /nfs/dbraw/zinc/25/33/98/862253398.db2.gz LMDPOOSGEUFWIC-UHFFFAOYSA-N -1 0 392.235 3.884 50 0 GHAARM COc1ccc([C@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471428 855356950 /nfs/dbraw/zinc/35/69/50/855356950.db2.gz RVEWDEYHDFINCG-SFHVURJKSA-N -1 0 397.402 3.962 50 0 GHAARM O=C([N-]c1nnc(SCc2ccccn2)s1)c1cc(-c2ccco2)on1 ZINC000070635138 857238803 /nfs/dbraw/zinc/23/88/03/857238803.db2.gz SAIDCZCASHFFNK-UHFFFAOYSA-N -1 0 385.430 3.726 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1C(=O)N1CCCCC1 ZINC000009684491 857305705 /nfs/dbraw/zinc/30/57/05/857305705.db2.gz CMOOKBNTEYOPCB-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)on1 ZINC000009688804 857306353 /nfs/dbraw/zinc/30/63/53/857306353.db2.gz JBKSIIJJXWTJMU-UHFFFAOYSA-N -1 0 396.421 3.520 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000004317410 862957678 /nfs/dbraw/zinc/95/76/78/862957678.db2.gz RQJAYJBBPVORMK-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013147449 859831542 /nfs/dbraw/zinc/83/15/42/859831542.db2.gz OFBJGKJMVMTULR-RWSFTLGLSA-N -1 0 392.912 3.657 50 0 GHAARM COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000003087903 860425997 /nfs/dbraw/zinc/42/59/97/860425997.db2.gz HUQWVJVVOVLDRI-MRXNPFEDSA-N -1 0 380.366 3.752 50 0 aggregator GHAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000328598940 867915738 /nfs/dbraw/zinc/91/57/38/867915738.db2.gz PHMBKAWTBSIBGV-QHCPKHFHSA-N -1 0 395.455 3.749 50 0 GHAARM COc1cc(C(=O)[O-])c(NC(=O)OCc2ccccc2)cc1Br ZINC000536958861 881242002 /nfs/dbraw/zinc/24/20/02/881242002.db2.gz LESMXNYWQSWKOH-UHFFFAOYSA-N -1 0 380.194 3.905 50 0 GHAARM COC(=O)c1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000033757361 885733460 /nfs/dbraw/zinc/73/34/60/885733460.db2.gz JNYZOXJJWHENLP-RIYZIHGNSA-N -1 0 384.775 3.557 50 0 GHAARM CC(C)c1nc([C@@H]2CCCCCN2C(=O)C[C@@H](C(=O)[O-])c2ccccc2)no1 ZINC000634911313 904607013 /nfs/dbraw/zinc/60/70/13/904607013.db2.gz VURGXHUWEBMXJF-SJORKVTESA-N -1 0 385.464 3.895 50 0 GHAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000005800585 209125188 /nfs/dbraw/zinc/12/51/88/209125188.db2.gz SSUHQQYWHHEPRQ-NBVRZTHBSA-N -1 0 397.862 3.603 50 0 GHAARM COc1cccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)s2)c1 ZINC000238923614 206279499 /nfs/dbraw/zinc/27/94/99/206279499.db2.gz PCSBXQZIKWQXIP-HDJSIYSDSA-N -1 0 388.489 3.748 50 0 GHAARM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000001047687 206290217 /nfs/dbraw/zinc/29/02/17/206290217.db2.gz AKFHGDOGALKWEA-UHFFFAOYSA-N -1 0 395.380 3.543 50 0 GHAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1Cl ZINC000000718656 206319249 /nfs/dbraw/zinc/31/92/49/206319249.db2.gz NRKFZSMPWRLLHJ-PBHICJAKSA-N -1 0 379.865 3.716 50 0 GHAARM CCOC(=O)c1c(C)n(CC)c2ccc([O-])c(S(=O)(=O)c3ccccc3)c21 ZINC000000862726 206328499 /nfs/dbraw/zinc/32/84/99/206328499.db2.gz DYJGVWQHSKIWJI-UHFFFAOYSA-N -1 0 387.457 3.685 50 0 GHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)[O-])c2C(=O)OC)C1 ZINC000002086123 206398185 /nfs/dbraw/zinc/39/81/85/206398185.db2.gz UFCUVRGIXPGMDF-FBOQAHMBSA-N -1 0 379.478 3.655 50 0 GHAARM Cc1cc2nnc(SCC(=O)Nc3ccccc3C(=O)[O-])n2c2ccccc12 ZINC000004172046 206505890 /nfs/dbraw/zinc/50/58/90/206505890.db2.gz NTKRCBUZMYLIKL-UHFFFAOYSA-N -1 0 392.440 3.620 50 0 GHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1ccccc1F ZINC000004742646 206551097 /nfs/dbraw/zinc/55/10/97/206551097.db2.gz DPVMGIUCLFJUSR-UHFFFAOYSA-N -1 0 389.810 3.501 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000015861941 207065140 /nfs/dbraw/zinc/06/51/40/207065140.db2.gz CFSZPRBBXMFTHI-UHFFFAOYSA-N -1 0 381.866 3.574 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2 ZINC000015730788 207057890 /nfs/dbraw/zinc/05/78/90/207057890.db2.gz DNKOCSJLKORVRL-LBPRGKRZSA-N -1 0 392.502 3.566 50 0 GHAARM COc1ccc(C(=O)[O-])cc1Nc1cc(C)nc2nc(-c3ccc(C)cc3)nn21 ZINC000015785036 207061408 /nfs/dbraw/zinc/06/14/08/207061408.db2.gz KDXJYAGDBQHAPM-UHFFFAOYSA-N -1 0 389.415 3.859 50 0 GHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(N)=O)C1 ZINC000017080681 207085270 /nfs/dbraw/zinc/08/52/70/207085270.db2.gz CEBHSFYVSPKFPS-NWDGAFQWSA-N -1 0 394.537 3.828 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079616 207083333 /nfs/dbraw/zinc/08/33/33/207083333.db2.gz SHHGMKHSDQPMDK-NWDGAFQWSA-N -1 0 390.436 3.969 50 0 GHAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017080220 207083894 /nfs/dbraw/zinc/08/38/94/207083894.db2.gz ZEQYMGWZJYGQAL-GFCCVEGCSA-N -1 0 392.521 3.739 50 0 GHAARM O=C(NCC1CCCCC1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040143149 207349147 /nfs/dbraw/zinc/34/91/47/207349147.db2.gz FIWAVNRTVWQUKL-UHFFFAOYSA-N -1 0 378.519 3.859 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCc3ccccc32)c1 ZINC000031534999 207381482 /nfs/dbraw/zinc/38/14/82/207381482.db2.gz UNQXDJXLEGCQEZ-UHFFFAOYSA-N -1 0 394.452 3.880 50 0 GHAARM Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072168693 207984685 /nfs/dbraw/zinc/98/46/85/207984685.db2.gz XEYWNRJNCCTJKL-MRXNPFEDSA-N -1 0 376.412 3.978 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccccc3-n3cccn3)C2)c1 ZINC000095358416 208160712 /nfs/dbraw/zinc/16/07/12/208160712.db2.gz HJIRZDGXPAVXGW-GOSISDBHSA-N -1 0 375.428 3.590 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000096323603 208306628 /nfs/dbraw/zinc/30/66/28/208306628.db2.gz ZIFBVHMIPOSWAG-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1-c1nnc(C2CC2)o1 ZINC000096379665 208313308 /nfs/dbraw/zinc/31/33/08/208313308.db2.gz BBVCGPWTAIGLPC-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c(OC)c1 ZINC000096323580 208305854 /nfs/dbraw/zinc/30/58/54/208305854.db2.gz QQVDWTYUSCIKSJ-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM O=C(C=Cc1ccco1)N(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000096935814 208332420 /nfs/dbraw/zinc/33/24/20/208332420.db2.gz AXVIXGPPQUFGBA-HJWRWDBZSA-N -1 0 391.452 3.820 50 0 GHAARM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1c[nH]nc1-c1ccccn1 ZINC000097117220 208339259 /nfs/dbraw/zinc/33/92/59/208339259.db2.gz IMIKPCYBBRNNPN-UHFFFAOYSA-N -1 0 383.260 3.720 50 0 GHAARM CCOc1cc(CO)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000000982649 208705826 /nfs/dbraw/zinc/70/58/26/208705826.db2.gz IVQNZRSYVDQQKS-UHFFFAOYSA-N -1 0 381.222 3.617 50 0 GHAARM CCCCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000241775900 209019542 /nfs/dbraw/zinc/01/95/42/209019542.db2.gz RQASDYSZVAHRMI-UHFFFAOYSA-N -1 0 390.505 3.772 50 0 GHAARM CCCCOc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(N)=O)ccc2c1 ZINC000252484162 209032634 /nfs/dbraw/zinc/03/26/34/209032634.db2.gz FQDUTPYLCTWNKX-UHFFFAOYSA-N -1 0 398.484 3.918 50 0 GHAARM O=S(=O)([N-]c1ccccn1)c1cc(Cl)c(Cl)cc1Br ZINC000252490747 209033893 /nfs/dbraw/zinc/03/38/93/209033893.db2.gz LACJEEGZMZIIOJ-UHFFFAOYSA-N -1 0 382.066 3.952 50 0 GHAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c2ccccc12 ZINC000252495733 209034515 /nfs/dbraw/zinc/03/45/15/209034515.db2.gz OYGKBLUDKPCNAI-UHFFFAOYSA-N -1 0 398.484 3.918 50 0 GHAARM COc1ccc(CC(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589173 136157015 /nfs/dbraw/zinc/15/70/15/136157015.db2.gz SEIYSFURJJFULG-HNNXBMFYSA-N -1 0 382.460 3.811 50 0 biogenic GHAARM COc1ccc(CC(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064589172 136157034 /nfs/dbraw/zinc/15/70/34/136157034.db2.gz SEIYSFURJJFULG-OAHLLOKOSA-N -1 0 382.460 3.811 50 0 biogenic GHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000008840567 136195670 /nfs/dbraw/zinc/19/56/70/136195670.db2.gz YUDFTTBPLBGDIE-UHFFFAOYSA-N -1 0 384.910 3.892 50 0 GHAARM O=C(Cc1csc([N-]c2ncccn2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000049029391 570260451 /nfs/dbraw/zinc/26/04/51/570260451.db2.gz CNPUGZVXAOLRKJ-UHFFFAOYSA-N -1 0 379.367 3.877 50 0 GHAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147186 570276940 /nfs/dbraw/zinc/27/69/40/570276940.db2.gz YYYRWLZZVUNIAO-UHFFFAOYSA-N -1 0 386.498 3.521 50 0 GHAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(Cl)cc1Cl ZINC000006561277 570277401 /nfs/dbraw/zinc/27/74/01/570277401.db2.gz RNEHCTBCLFWNKS-UHFFFAOYSA-N -1 0 387.288 3.852 50 0 GHAARM COc1ccc2[nH]c(SCC(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)nc2c1 ZINC000002752558 570298394 /nfs/dbraw/zinc/29/83/94/570298394.db2.gz WJERGNOMODNDAB-UHFFFAOYSA-N -1 0 391.836 3.654 50 0 GHAARM CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000002998259 570324832 /nfs/dbraw/zinc/32/48/32/570324832.db2.gz VSGAEWUGPXRREC-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM C[C@H](C(=O)Nc1ccccc1C(=O)[O-])n1c2ccccc2nc1C(F)(F)F ZINC000004024387 570354795 /nfs/dbraw/zinc/35/47/95/570354795.db2.gz OONQDSOEIRYYQN-SNVBAGLBSA-N -1 0 377.322 3.953 50 0 GHAARM COc1ccc(-c2cnc(CCC(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000237428933 570355526 /nfs/dbraw/zinc/35/55/26/570355526.db2.gz RWRTXHAMADXNTH-NJAFHUGGSA-N -1 0 398.459 3.527 50 0 GHAARM COc1ccc(OC)c(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1 ZINC000004920348 570366446 /nfs/dbraw/zinc/36/64/46/570366446.db2.gz SCNGNWCTTZDDNG-UHFFFAOYSA-N -1 0 388.807 3.718 50 0 GHAARM O=C([O-])CSCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 ZINC000004334095 570368706 /nfs/dbraw/zinc/36/87/06/570368706.db2.gz WLYHSHJCPNFAGW-UHFFFAOYSA-N -1 0 386.351 3.649 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000004976676 570387940 /nfs/dbraw/zinc/38/79/40/570387940.db2.gz VMLBNIRLCZVXIJ-HXUWFJFHSA-N -1 0 396.443 3.636 50 0 GHAARM O=S(=O)([N-]c1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(F)cc1F ZINC000005084021 570413837 /nfs/dbraw/zinc/41/38/37/570413837.db2.gz NNBHUZNOGJQBCQ-UHFFFAOYSA-N -1 0 393.440 3.735 50 0 GHAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)[O-] ZINC000005151724 570428789 /nfs/dbraw/zinc/42/87/89/570428789.db2.gz FCINBALSWFRUGZ-LLVKDONJSA-N -1 0 386.498 3.560 50 0 GHAARM O=C([O-])C(=CCc1ccc(Br)cc1)N=Nc1ncnc2ccccc21 ZINC000252477719 570449161 /nfs/dbraw/zinc/44/91/61/570449161.db2.gz UPBUXCIKIRRPJP-ZHQHOHGFSA-N -1 0 397.232 3.958 50 0 GHAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)nn1 ZINC000005204254 570506070 /nfs/dbraw/zinc/50/60/70/570506070.db2.gz YCFNYURZWLWPLI-UHFFFAOYSA-N -1 0 375.837 3.606 50 0 aggregator GHAARM CCOc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000008189217 570523454 /nfs/dbraw/zinc/52/34/54/570523454.db2.gz VQZKNPQDDSJYLC-UHFFFAOYSA-N -1 0 394.221 3.564 50 0 GHAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064837372 570558954 /nfs/dbraw/zinc/55/89/54/570558954.db2.gz RCNMQIRSTHLCJQ-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM COc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000036293986 570562929 /nfs/dbraw/zinc/56/29/29/570562929.db2.gz ZBKATECYZDJGSI-UHFFFAOYSA-N -1 0 383.425 3.861 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1 ZINC000064947029 570603847 /nfs/dbraw/zinc/60/38/47/570603847.db2.gz AZSQHKFMWQDKRK-UHFFFAOYSA-N -1 0 383.473 3.801 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1Br ZINC000041091692 570614986 /nfs/dbraw/zinc/61/49/86/570614986.db2.gz QFHWWRGUCFXDJJ-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000004597160 570629103 /nfs/dbraw/zinc/62/91/03/570629103.db2.gz OJNZAMGGMHYSDH-KBPBESRZSA-N -1 0 378.519 3.667 50 0 GHAARM O=C([O-])C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCSC1 ZINC000685939853 570674553 /nfs/dbraw/zinc/67/45/53/570674553.db2.gz DPIWWAUKJWDNKS-OAQYLSRUSA-N -1 0 383.469 3.876 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000001158316 570712778 /nfs/dbraw/zinc/71/27/78/570712778.db2.gz CUVREIVWWUZOIO-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)cc1 ZINC000058203009 570719575 /nfs/dbraw/zinc/71/95/75/570719575.db2.gz LCMPZQPUOVGYLB-UHFFFAOYSA-N -1 0 384.505 3.716 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl ZINC000002363099 570719901 /nfs/dbraw/zinc/71/99/01/570719901.db2.gz KNOMBXWZUWZHGJ-UHFFFAOYSA-N -1 0 378.277 3.860 50 0 GHAARM COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000012861941 570724793 /nfs/dbraw/zinc/72/47/93/570724793.db2.gz MPPNYNWVLTVRRV-ZSOIEALJSA-N -1 0 384.775 3.557 50 0 GHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cc(F)ccc2C)n1 ZINC000065194580 570726228 /nfs/dbraw/zinc/72/62/28/570726228.db2.gz QNGAJRCKKOTAEZ-UHFFFAOYSA-N -1 0 392.456 3.503 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)cc(Cl)c1Cl ZINC000058488382 570734557 /nfs/dbraw/zinc/73/45/57/570734557.db2.gz HMLHTLDVIDUSKQ-UHFFFAOYSA-N -1 0 382.171 3.771 50 0 GHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cccc(Cl)c1 ZINC000036624021 570767254 /nfs/dbraw/zinc/76/72/54/570767254.db2.gz AURFSVHFWJKDET-DOTOQJQBSA-N -1 0 379.865 3.716 50 0 GHAARM O=S(=O)([N-]c1cccc(OCc2ccc(F)cc2)c1)c1cncc(F)c1 ZINC000063476587 570814256 /nfs/dbraw/zinc/81/42/56/570814256.db2.gz DMKSXJGTLZWGCX-UHFFFAOYSA-N -1 0 376.384 3.740 50 0 GHAARM CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004672038 570820312 /nfs/dbraw/zinc/82/03/12/570820312.db2.gz GUNODGGFSQOICX-UGKGYDQZSA-N -1 0 396.418 3.655 50 0 GHAARM Cc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722433 570829979 /nfs/dbraw/zinc/82/99/79/570829979.db2.gz HOPDQPCQFQMORS-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM COc1ccc(-c2cc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3Cl)[nH]n2)cc1 ZINC000170592048 570849880 /nfs/dbraw/zinc/84/98/80/570849880.db2.gz BKTOGLKIPQXWGZ-QGZVFWFLSA-N -1 0 399.834 3.685 50 0 GHAARM CCCCCC[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000071774735 570852657 /nfs/dbraw/zinc/85/26/57/570852657.db2.gz PQXZMYFVSPDKSA-QGZVFWFLSA-N -1 0 392.521 3.608 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263875 570881489 /nfs/dbraw/zinc/88/14/89/570881489.db2.gz USFAAVMGQOOKMR-UHFFFAOYSA-N -1 0 388.323 3.763 50 0 GHAARM CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071283698 570887343 /nfs/dbraw/zinc/88/73/43/570887343.db2.gz GPAYFGRVDPVINU-ZDUSSCGKSA-N -1 0 381.388 3.839 50 0 GHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000004580569 570911122 /nfs/dbraw/zinc/91/11/22/570911122.db2.gz LIHZVSZLMSWGOT-MRXNPFEDSA-N -1 0 392.249 3.712 50 0 GHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000006452244 570915419 /nfs/dbraw/zinc/91/54/19/570915419.db2.gz ZXTACEYMPBZJEH-GOSISDBHSA-N -1 0 399.443 3.622 50 0 GHAARM CC(C)(C)C(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000226814592 570936812 /nfs/dbraw/zinc/93/68/12/570936812.db2.gz BHIWOWRUGDJOMS-IBGZPJMESA-N -1 0 395.455 3.984 50 0 GHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000032932354 570944995 /nfs/dbraw/zinc/94/49/95/570944995.db2.gz PEEJYJXPNAYANH-UHFFFAOYSA-N -1 0 385.424 3.510 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000237947464 570945186 /nfs/dbraw/zinc/94/51/86/570945186.db2.gz DSVNADLHHUKLEW-LBPRGKRZSA-N -1 0 388.327 3.937 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238069736 570945331 /nfs/dbraw/zinc/94/53/31/570945331.db2.gz CAQURYMQGATNFK-KGLIPLIRSA-N -1 0 386.275 3.579 50 0 GHAARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000001059634 570953197 /nfs/dbraw/zinc/95/31/97/570953197.db2.gz OIMYEUGBINLUFN-NTEUORMPSA-N -1 0 377.625 3.564 50 0 GHAARM CC(=O)Nc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ccc1F ZINC000585140311 570966927 /nfs/dbraw/zinc/96/69/27/570966927.db2.gz BQTYMZBNKNFNMR-UHFFFAOYSA-N -1 0 376.409 3.675 50 0 GHAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240512 570974126 /nfs/dbraw/zinc/97/41/26/570974126.db2.gz KLJFMRIVHKGBFB-HNNXBMFYSA-N -1 0 381.428 3.501 50 0 GHAARM COc1ccc(F)cc1S(=O)(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146664 570975781 /nfs/dbraw/zinc/97/57/81/570975781.db2.gz ACRAZWNFRVXINR-CYBMUJFWSA-N -1 0 381.450 3.599 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)c(OC)c1 ZINC000083927880 570981452 /nfs/dbraw/zinc/98/14/52/570981452.db2.gz KCTHXKZVDMUFLZ-UHFFFAOYSA-N -1 0 384.866 3.768 50 0 GHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000170685450 571010431 /nfs/dbraw/zinc/01/04/31/571010431.db2.gz QSNGPCOXAQCIND-CTNGQTDRSA-N -1 0 381.472 3.930 50 0 GHAARM COc1ccccc1CC1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000175907642 839008855 /nfs/dbraw/zinc/00/88/55/839008855.db2.gz HQKVOBBDEPYIBQ-UHFFFAOYSA-N -1 0 391.471 3.681 50 0 GHAARM COc1ccc(-c2cnc(CCC(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])o2)cc1 ZINC000299751814 861290355 /nfs/dbraw/zinc/29/03/55/861290355.db2.gz RWRTXHAMADXNTH-NXHRZFHOSA-N -1 0 398.459 3.527 50 0 GHAARM Cc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1 ZINC000002717758 861529715 /nfs/dbraw/zinc/52/97/15/861529715.db2.gz FIZLSRFAHYZYIA-UHFFFAOYSA-N -1 0 391.456 3.560 50 0 GHAARM C[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000057335626 861969621 /nfs/dbraw/zinc/96/96/21/861969621.db2.gz ROXAGBVOEWVBLJ-VIFPVBQESA-N -1 0 375.400 3.637 50 0 GHAARM CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)[O-])c2c1 ZINC000003030313 862129558 /nfs/dbraw/zinc/12/95/58/862129558.db2.gz HHESZYGCJKNGPA-UHFFFAOYSA-N -1 0 390.486 3.740 50 0 GHAARM O=C([N-]S(=O)(=O)c1cccc2nsnc21)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000048640096 850459703 /nfs/dbraw/zinc/45/97/03/850459703.db2.gz SUFDTKKETVEHFN-RKDXNWHRSA-N -1 0 393.412 3.705 50 0 GHAARM CC1CCC(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000030513040 862285965 /nfs/dbraw/zinc/28/59/65/862285965.db2.gz ZCTABKHTUJPPMU-UHFFFAOYSA-N -1 0 392.546 3.786 50 0 GHAARM COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(C(=O)[O-])cc3)s2)c1 ZINC000040267505 856718441 /nfs/dbraw/zinc/71/84/41/856718441.db2.gz DFPPMNBANFDHHR-UHFFFAOYSA-N -1 0 382.441 3.755 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c(OC)c1 ZINC000009686628 857305375 /nfs/dbraw/zinc/30/53/75/857305375.db2.gz SYAGLEFLXIYTFH-UHFFFAOYSA-N -1 0 393.490 3.573 50 0 GHAARM CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCC(=O)[O-])C1 ZINC000004278722 862928896 /nfs/dbraw/zinc/92/88/96/862928896.db2.gz UCRXMXKRJOQXEG-UHFFFAOYSA-N -1 0 383.400 3.698 50 0 GHAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000187542956 897949945 /nfs/dbraw/zinc/94/99/45/897949945.db2.gz IWQYHIGDLFICNF-HUUCEWRRSA-N -1 0 391.826 3.705 50 0 GHAARM COc1ccc(/C(=C/c2ccc(OC(F)F)c(OC)c2)C(=O)[O-])cc1OC ZINC000003226348 901070787 /nfs/dbraw/zinc/07/07/87/901070787.db2.gz QQYYMQQANNDTRE-JYRVWZFOSA-N -1 0 380.343 3.939 50 0 GHAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000629793 206309780 /nfs/dbraw/zinc/30/97/80/206309780.db2.gz KYBLCSMSEXHJLG-UJKMTWAASA-N -1 0 395.414 3.781 50 0 GHAARM COc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Br)cc2)cc1 ZINC000000662813 206314033 /nfs/dbraw/zinc/31/40/33/206314033.db2.gz LCHRTSINYYBMKD-CYBMUJFWSA-N -1 0 392.249 3.730 50 0 GHAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000001141983 206358542 /nfs/dbraw/zinc/35/85/42/206358542.db2.gz BWBFUCPMXHJMIZ-OALUTQOASA-N -1 0 392.455 3.782 50 0 GHAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccccc1 ZINC000001071765 206348371 /nfs/dbraw/zinc/34/83/71/206348371.db2.gz RFKGJZKEUMLAHO-UHFFFAOYSA-N -1 0 398.196 3.967 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)nc1 ZINC000001299929 206371466 /nfs/dbraw/zinc/37/14/66/206371466.db2.gz KWMRDZYQZZHQCP-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)[O-] ZINC000002539232 206419891 /nfs/dbraw/zinc/41/98/91/206419891.db2.gz JGUYYODGVQXZAY-SFTDATJTSA-N -1 0 397.471 3.775 50 0 GHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000004317293 206514480 /nfs/dbraw/zinc/51/44/80/206514480.db2.gz MEOQTWXJIDSOJQ-UHFFFAOYSA-N -1 0 386.864 3.552 50 0 GHAARM CCc1ccccc1N1C(=O)[N-]C(=O)[C@@]2(Cc3cc(C)ccc3N(C)C2)C1=O ZINC000008974601 206769807 /nfs/dbraw/zinc/76/98/07/206769807.db2.gz XXZBSQNGJLCVFZ-QFIPXVFZSA-N -1 0 377.444 3.659 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000015861988 207065427 /nfs/dbraw/zinc/06/54/27/207065427.db2.gz PLZMAJFTGWCAJV-UHFFFAOYSA-N -1 0 381.866 3.574 50 0 GHAARM Cc1cc(C(F)(F)F)c2c(n1)sc1c2[nH]c(=O)c(Br)c1[O-] ZINC000018143566 207094075 /nfs/dbraw/zinc/09/40/75/207094075.db2.gz KAKFTDZMUROACS-UHFFFAOYSA-N -1 0 379.157 3.933 50 0 GHAARM CC(C)Oc1ccc([C@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)cc1 ZINC000020112235 207178808 /nfs/dbraw/zinc/17/88/08/207178808.db2.gz RNOHQMKLDRGJKS-SSGOSMAHSA-N -1 0 379.412 3.619 50 0 biogenic GHAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000020290821 207185809 /nfs/dbraw/zinc/18/58/09/207185809.db2.gz IPWWTMZCTITZLW-UHHPSXQGSA-N -1 0 377.444 3.593 50 0 GHAARM Cc1ccc2nc(-c3ccc(NC(=O)c4c(C(=O)[O-])cnn4C)cc3)sc2c1 ZINC000020614509 207208119 /nfs/dbraw/zinc/20/81/19/207208119.db2.gz CDXNMALKXKJAMM-UHFFFAOYSA-N -1 0 392.440 3.956 50 0 GHAARM CCc1cccc(NC(=O)CSc2[n-]c3ccccc3c(=O)c2C(=O)OC)c1 ZINC000020981941 207220773 /nfs/dbraw/zinc/22/07/73/207220773.db2.gz XYBYDATVCFKXRA-UHFFFAOYSA-N -1 0 396.468 3.608 50 0 GHAARM O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCCCC1)cn2Cc1ccccc1 ZINC000036354753 207525070 /nfs/dbraw/zinc/52/50/70/207525070.db2.gz NUSWLXHLGSJUQK-NRFANRHFSA-N -1 0 392.455 3.999 50 0 GHAARM O=C(CSCc1ccc(Cl)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057753703 207757066 /nfs/dbraw/zinc/75/70/66/207757066.db2.gz WAHCNJLQSSALHY-UHFFFAOYSA-N -1 0 375.837 3.968 50 0 GHAARM O=C(NCc1ccccc1N1CCCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063811147 207795312 /nfs/dbraw/zinc/79/53/12/207795312.db2.gz ZSOINJQYAKWLIM-UHFFFAOYSA-N -1 0 380.473 3.528 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(C)=O ZINC000065020910 207829477 /nfs/dbraw/zinc/82/94/77/207829477.db2.gz HVKZKFJBAHXTAZ-UHFFFAOYSA-N -1 0 388.489 3.530 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1 ZINC000066087881 207879130 /nfs/dbraw/zinc/87/91/30/207879130.db2.gz NGUQWKIBEIDWDD-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cccc(C(=O)[O-])c3)C1)C(=O)CCC2 ZINC000095367106 208164086 /nfs/dbraw/zinc/16/40/86/208164086.db2.gz XJHKTGGSYWJJQK-MRXNPFEDSA-N -1 0 381.428 3.825 50 0 GHAARM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000095447970 208184337 /nfs/dbraw/zinc/18/43/37/208184337.db2.gz BXLLQEFRXKVACM-UHFFFAOYSA-N -1 0 389.882 3.614 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)cc1 ZINC000095939649 208238914 /nfs/dbraw/zinc/23/89/14/208238914.db2.gz OOXOGISUTXNYQH-UHFFFAOYSA-N -1 0 386.429 3.628 50 0 GHAARM CC(C)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096361044 208309821 /nfs/dbraw/zinc/30/98/21/208309821.db2.gz RBDRIGXTWPRLNA-UHFFFAOYSA-N -1 0 384.461 3.586 50 0 GHAARM COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)[O-])c1nnc(C)n1-2 ZINC000096284850 208302490 /nfs/dbraw/zinc/30/24/90/208302490.db2.gz VEIZLTSJCDOIBH-INIZCTEOSA-N -1 0 396.834 3.605 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)cc4)c=3c2=O)c1 ZINC000101078048 208385710 /nfs/dbraw/zinc/38/57/10/208385710.db2.gz HQDVQKPLHVRCNH-CVEARBPZSA-N -1 0 399.248 3.564 50 0 GHAARM Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCC5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281990 208389511 /nfs/dbraw/zinc/38/95/11/208389511.db2.gz PRLIAIRVCJERLT-UHFFFAOYSA-N -1 0 386.455 3.799 50 0 GHAARM Cc1nc2[n-]c(CNc3ccc(Cl)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101802796 208399257 /nfs/dbraw/zinc/39/92/57/208399257.db2.gz GCWUSGMPESLUDR-UHFFFAOYSA-N -1 0 379.851 3.582 50 0 GHAARM COc1cc(C(=O)[O-])cc(I)c1OCc1ccccc1 ZINC000226365032 208475604 /nfs/dbraw/zinc/47/56/04/208475604.db2.gz UINGLGPJGPSZCT-UHFFFAOYSA-N -1 0 384.169 3.577 50 0 GHAARM Cc1cc(NC(=O)C[C@H](CC(=O)[O-])c2cccs2)ccc1N1CCCC1=O ZINC000096024580 209007758 /nfs/dbraw/zinc/00/77/58/209007758.db2.gz BOHJEUHXLNBDTF-CQSZACIVSA-N -1 0 386.473 3.770 50 0 GHAARM O=C([O-])[C@@]1(CCOc2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071730277 136165807 /nfs/dbraw/zinc/16/58/07/136165807.db2.gz ZRKRLMQPLRLDFU-JOCHJYFZSA-N -1 0 377.444 3.770 50 0 GHAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000004508959 518201295 /nfs/dbraw/zinc/20/12/95/518201295.db2.gz ILAXCMFXNDTTON-OYGUJVRJSA-N -1 0 380.440 3.607 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000035267870 570278513 /nfs/dbraw/zinc/27/85/13/570278513.db2.gz ARHAKOPKFTXTEX-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(OC)cc1Cl ZINC000214077366 570279687 /nfs/dbraw/zinc/27/96/87/570279687.db2.gz NVULRNVWWFMWPE-UHFFFAOYSA-N -1 0 378.837 3.706 50 0 GHAARM COc1ccc2nc(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)ccc2c1 ZINC000237480473 570371983 /nfs/dbraw/zinc/37/19/83/570371983.db2.gz XLDMZJBAKKQKAX-UHFFFAOYSA-N -1 0 390.439 3.502 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000006317024 570377193 /nfs/dbraw/zinc/37/71/93/570377193.db2.gz WMDYRVMZGFGISL-UHFFFAOYSA-N -1 0 392.221 3.845 50 0 GHAARM CCOc1cc(C=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000004544653 570383394 /nfs/dbraw/zinc/38/33/94/570383394.db2.gz DOSJDBAABQLLCQ-UHFFFAOYSA-N -1 0 379.206 3.938 50 0 GHAARM Cc1csc([C@H]2CCCN(C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)C2)n1 ZINC000237660914 570388244 /nfs/dbraw/zinc/38/82/44/570388244.db2.gz BXHZXVRRQGDRFE-HNNXBMFYSA-N -1 0 388.489 3.552 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)cc1 ZINC000006328893 570392253 /nfs/dbraw/zinc/39/22/53/570392253.db2.gz LJMJQOPLDQXFCF-UHFFFAOYSA-N -1 0 376.459 3.582 50 0 GHAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000004813962 570407706 /nfs/dbraw/zinc/40/77/06/570407706.db2.gz OELBXBPVWGMVAY-UHFFFAOYSA-N -1 0 386.498 3.562 50 0 GHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000237943331 570415197 /nfs/dbraw/zinc/41/51/97/570415197.db2.gz VGDXRUXGJROKTG-HNNXBMFYSA-N -1 0 376.453 3.733 50 0 GHAARM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000252457469 570448833 /nfs/dbraw/zinc/44/88/33/570448833.db2.gz LIJXONAZFMSNTL-UHFFFAOYSA-N -1 0 396.406 3.759 50 0 GHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(SC)cc1)CCCC2 ZINC000006578897 570483886 /nfs/dbraw/zinc/48/38/86/570483886.db2.gz RGJWSGUJZKUNAP-UHFFFAOYSA-N -1 0 397.543 3.936 50 0 GHAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(Br)cc1 ZINC000000819034 570484986 /nfs/dbraw/zinc/48/49/86/570484986.db2.gz QBUDEWVBCXLTHP-RYUDHWBXSA-N -1 0 388.283 3.885 50 0 GHAARM CCOc1ccc(Br)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000008189227 570523816 /nfs/dbraw/zinc/52/38/16/570523816.db2.gz OMPKSPULFUYFDV-UHFFFAOYSA-N -1 0 394.221 3.564 50 0 GHAARM COc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)ccc1N1CCCC1=O ZINC000005329357 570554682 /nfs/dbraw/zinc/55/46/82/570554682.db2.gz IMXDPJDVJPVKJJ-UHFFFAOYSA-N -1 0 388.489 3.548 50 0 GHAARM Cc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000036293770 570562869 /nfs/dbraw/zinc/56/28/69/570562869.db2.gz RAJRZONWHZRZEN-UHFFFAOYSA-N -1 0 397.452 3.964 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)c(C(=O)[O-])c1 ZINC000033007342 570619790 /nfs/dbraw/zinc/61/97/90/570619790.db2.gz UGSFBCYBMDFTGR-UHFFFAOYSA-N -1 0 390.505 3.984 50 0 GHAARM CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000072313013 570649470 /nfs/dbraw/zinc/64/94/70/570649470.db2.gz XDRNKFXLDDAMOJ-UHFFFAOYSA-N -1 0 397.452 3.712 50 0 GHAARM O=C([O-])CO[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000685945092 570675938 /nfs/dbraw/zinc/67/59/38/570675938.db2.gz UFOXWUUEUQVHLJ-OAHLLOKOSA-N -1 0 381.428 3.501 50 0 GHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 ZINC000006887780 570682849 /nfs/dbraw/zinc/68/28/49/570682849.db2.gz YCNCCQBLNMQFBG-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000262872135 570699758 /nfs/dbraw/zinc/69/97/58/570699758.db2.gz JSPPUQNEXMMYEH-UHFFFAOYSA-N -1 0 380.872 3.842 50 0 GHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)n1 ZINC000065194558 570725847 /nfs/dbraw/zinc/72/58/47/570725847.db2.gz JJRSBVQSIIGBFZ-UHFFFAOYSA-N -1 0 388.493 3.672 50 0 GHAARM O=C([N-]n1cnc2scc(-c3ccco3)c2c1=O)c1cc2ccccc2o1 ZINC000011208539 570744637 /nfs/dbraw/zinc/74/46/37/570744637.db2.gz OLCOLNDJDLWNJZ-UHFFFAOYSA-N -1 0 377.381 3.848 50 0 GHAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246459 570747610 /nfs/dbraw/zinc/74/76/10/570747610.db2.gz ZZJBRMSIWVGESU-UHFFFAOYSA-N -1 0 377.397 3.927 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)ccc1F ZINC000013248850 570751613 /nfs/dbraw/zinc/75/16/13/570751613.db2.gz WMKRHXVLYBJWOQ-UHFFFAOYSA-N -1 0 375.377 3.512 50 0 GHAARM Cc1ccc(-c2cc(O)c3c(c2)CN(c2ncccc2C(=O)[O-])CCO3)s1 ZINC000067754388 570789644 /nfs/dbraw/zinc/78/96/44/570789644.db2.gz YEMWCFXAFJUPFI-UHFFFAOYSA-N -1 0 382.441 3.921 50 0 GHAARM O=C([O-])C1CCC(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000263487374 570793650 /nfs/dbraw/zinc/79/36/50/570793650.db2.gz PVSPUHBPCKLENE-XTXLOEGASA-N -1 0 378.472 3.987 50 0 GHAARM COC(=O)CSc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000018043909 570797934 /nfs/dbraw/zinc/79/79/34/570797934.db2.gz ZGDCDQMYBVUBPW-UHFFFAOYSA-N -1 0 375.233 3.855 50 0 GHAARM C[C@H](NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000101722701 570829906 /nfs/dbraw/zinc/82/99/06/570829906.db2.gz XBBFLLCSGJLPOD-INIZCTEOSA-N -1 0 399.450 3.641 50 0 GHAARM CCOc1ccccc1-c1noc(-c2c([O-])c3ccccc3n(CC)c2=O)n1 ZINC000101725527 570831693 /nfs/dbraw/zinc/83/16/93/570831693.db2.gz JMBAHPUKJNJTDS-UHFFFAOYSA-N -1 0 377.400 3.843 50 0 GHAARM CC(C)Oc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1 ZINC000101725693 570831762 /nfs/dbraw/zinc/83/17/62/570831762.db2.gz XTEJNUCTQLYNBR-UHFFFAOYSA-N -1 0 377.400 3.748 50 0 GHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)cc1 ZINC000101835736 570836780 /nfs/dbraw/zinc/83/67/80/570836780.db2.gz JNJONFSVJZWMJB-INIZCTEOSA-N -1 0 394.456 3.743 50 0 GHAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000004717963 570856543 /nfs/dbraw/zinc/85/65/43/570856543.db2.gz KMXJTEFNXLQJLV-ZDUSSCGKSA-N -1 0 382.199 3.668 50 0 GHAARM COC(=O)C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000004550566 570865267 /nfs/dbraw/zinc/86/52/67/570865267.db2.gz QWKAEISTZIZLBT-AWEZNQCLSA-N -1 0 396.226 3.726 50 0 GHAARM O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000170615669 570873459 /nfs/dbraw/zinc/87/34/59/570873459.db2.gz ARYUBGVDMZOLTL-UHFFFAOYSA-N -1 0 395.415 3.530 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1F ZINC000003581632 570876722 /nfs/dbraw/zinc/87/67/22/570876722.db2.gz YAODSCSYWRMKEK-UHFFFAOYSA-N -1 0 386.452 3.611 50 0 GHAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000033266200 570884204 /nfs/dbraw/zinc/88/42/04/570884204.db2.gz ZWPDRZJABCYPBZ-UHFFFAOYSA-N -1 0 378.795 3.527 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2c(C)cccc2C)n([C@@H](C)CC)c1=O ZINC000017086378 570927026 /nfs/dbraw/zinc/92/70/26/570927026.db2.gz FHQHAYBXVBTVHE-AWEZNQCLSA-N -1 0 389.521 3.830 50 0 GHAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cs1 ZINC000006678681 570938086 /nfs/dbraw/zinc/93/80/86/570938086.db2.gz KYVHNHOFZOYTMW-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1ccc(F)cc1 ZINC000252497271 570975719 /nfs/dbraw/zinc/97/57/19/570975719.db2.gz QCTVGUGAJFLOPV-UHFFFAOYSA-N -1 0 375.450 3.558 50 0 GHAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1sc3ccccc3c1Cl)C2=O ZINC000008192347 856056036 /nfs/dbraw/zinc/05/60/36/856056036.db2.gz CRTZWCASLSLKSK-UHFFFAOYSA-N -1 0 391.880 3.700 50 0 GHAARM O=C(c1ccccc1)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1 ZINC000008977448 856682972 /nfs/dbraw/zinc/68/29/72/856682972.db2.gz WKMRUGMGHXUXEO-UHFFFAOYSA-N -1 0 398.509 3.747 50 0 GHAARM COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)c1 ZINC000040268094 856718205 /nfs/dbraw/zinc/71/82/05/856718205.db2.gz IXJVJGATSMAYFZ-OAHLLOKOSA-N -1 0 393.399 3.711 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000009089894 856768865 /nfs/dbraw/zinc/76/88/65/856768865.db2.gz YMLQUSULRKRLFJ-DYESRHJHSA-N -1 0 395.846 3.975 50 0 GHAARM CCN(CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000009111362 856802618 /nfs/dbraw/zinc/80/26/18/856802618.db2.gz HVOJJQNHXQWIGI-XDJHFCHBSA-N -1 0 392.459 3.502 50 0 GHAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1 ZINC000009250855 857010992 /nfs/dbraw/zinc/01/09/92/857010992.db2.gz JBPCISAKFKXXJM-UHFFFAOYSA-N -1 0 394.412 3.798 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3c(=O)o2)cc1 ZINC000000639781 206311238 /nfs/dbraw/zinc/31/12/38/206311238.db2.gz LIVHLIWSCIZRJU-UHFFFAOYSA-N -1 0 392.436 3.964 50 0 GHAARM C[C@H](C(=O)[O-])n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000000955161 206337858 /nfs/dbraw/zinc/33/78/58/206337858.db2.gz OPZKRDNVHUQNAO-MRVPVSSYSA-N -1 0 379.235 3.533 50 0 GHAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000000991839 206339201 /nfs/dbraw/zinc/33/92/01/206339201.db2.gz AUHUAHKGAAIQOY-UHFFFAOYSA-N -1 0 380.322 3.761 50 0 GHAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000001041527 206345047 /nfs/dbraw/zinc/34/50/47/206345047.db2.gz HMYLMANNHRRXRU-VQTJNVASSA-N -1 0 377.396 3.854 50 0 GHAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cs1 ZINC000001054185 206347623 /nfs/dbraw/zinc/34/76/23/206347623.db2.gz XQDRXPOOTLQAJA-UHFFFAOYSA-N -1 0 391.474 3.714 50 0 GHAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001063161 206348712 /nfs/dbraw/zinc/34/87/12/206348712.db2.gz XWISTJUDIJBCLB-UHFFFAOYSA-N -1 0 380.469 3.760 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2)cc1 ZINC000001072545 206350243 /nfs/dbraw/zinc/35/02/43/206350243.db2.gz OGLGQVMAEWPDPY-UHFFFAOYSA-N -1 0 390.395 3.655 50 0 GHAARM CCN1c2ccc(S(=O)(=O)[N-]c3ccccc3OC)c3cccc(c23)C1=O ZINC000001448657 206382660 /nfs/dbraw/zinc/38/26/60/206382660.db2.gz NRIPCAUCAUVABP-UHFFFAOYSA-N -1 0 382.441 3.629 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(Br)cc1 ZINC000001158570 206360618 /nfs/dbraw/zinc/36/06/18/206360618.db2.gz IYDFGCSMZBHDNG-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])s1 ZINC000004651444 206537530 /nfs/dbraw/zinc/53/75/30/206537530.db2.gz KIIDVIXMIMGPRS-UONOGXRCSA-N -1 0 379.478 3.873 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1ccccc1Cl ZINC000007051787 206701475 /nfs/dbraw/zinc/70/14/75/206701475.db2.gz URPOPPBLIUFRSJ-UHFFFAOYSA-N -1 0 388.880 3.684 50 0 GHAARM COc1ccc(CNC(=O)c2csc(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000012992873 206961372 /nfs/dbraw/zinc/96/13/72/206961372.db2.gz CTNULCXQWFWOGH-UHFFFAOYSA-N -1 0 386.404 3.586 50 0 GHAARM CCc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000015826869 207063589 /nfs/dbraw/zinc/06/35/89/207063589.db2.gz DJNFBKDGYDOMKJ-CQSZACIVSA-N -1 0 385.489 3.626 50 0 GHAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CCC(=O)[O-] ZINC000017079038 207083153 /nfs/dbraw/zinc/08/31/53/207083153.db2.gz FYAUBVDHJHLGKC-UHFFFAOYSA-N -1 0 387.244 3.624 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079254 207084093 /nfs/dbraw/zinc/08/40/93/207084093.db2.gz KISDBMBYSNAQGR-NEPJUHHUSA-N -1 0 388.420 3.745 50 0 GHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(N)=O)C1 ZINC000017080680 207084424 /nfs/dbraw/zinc/08/44/24/207084424.db2.gz CEBHSFYVSPKFPS-NEPJUHHUSA-N -1 0 394.537 3.828 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000019771066 207160940 /nfs/dbraw/zinc/16/09/40/207160940.db2.gz ZZRMMAFSBJHWHS-AWEZNQCLSA-N -1 0 395.358 3.828 50 0 GHAARM Cc1ccc2nc(-c3ccc(NC(=O)c4nn(C)cc4C(=O)[O-])cc3)sc2c1 ZINC000020614433 207207176 /nfs/dbraw/zinc/20/71/76/207207176.db2.gz WUFDBVIETLKYSX-UHFFFAOYSA-N -1 0 392.440 3.956 50 0 GHAARM CSc1cccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000032100808 207393471 /nfs/dbraw/zinc/39/34/71/207393471.db2.gz FDHQCZNNBZGGAU-UHFFFAOYSA-N -1 0 393.515 3.642 50 0 GHAARM CCC(=O)Nc1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078573 207436998 /nfs/dbraw/zinc/43/69/98/207436998.db2.gz UCSYVVKIACXQBD-UHFFFAOYSA-N -1 0 381.476 3.677 50 0 GHAARM O=C([O-])COc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2Cc1cccs1 ZINC000072404217 208015412 /nfs/dbraw/zinc/01/54/12/208015412.db2.gz BOEDOXXIKJYALZ-AWEZNQCLSA-N -1 0 383.429 3.580 50 0 GHAARM CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC000078938626 208065686 /nfs/dbraw/zinc/06/56/86/208065686.db2.gz ZHXGYNJIRVADBM-UHFFFAOYSA-N -1 0 393.852 3.770 50 0 GHAARM O=C([O-])[C@@H](c1ccc(C2CCCC2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000095372288 208165988 /nfs/dbraw/zinc/16/59/88/208165988.db2.gz VPSOWSAOVQGIQH-JOCHJYFZSA-N -1 0 379.504 3.683 50 0 GHAARM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000095424905 208180780 /nfs/dbraw/zinc/18/07/80/208180780.db2.gz CYQHLXKIAIQEGB-CSODHUTKSA-N -1 0 397.471 3.554 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2c(C)c(C3CC3)nn2-c2ccccc2)cc1 ZINC000095958335 208245362 /nfs/dbraw/zinc/24/53/62/208245362.db2.gz TXBFDGZHUPMJRO-UHFFFAOYSA-N -1 0 383.473 3.868 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)cc(OC)c1 ZINC000096323588 208306488 /nfs/dbraw/zinc/30/64/88/208306488.db2.gz TXDMBGKJACUJTG-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C)o1 ZINC000096379604 208311963 /nfs/dbraw/zinc/31/19/63/208311963.db2.gz GEDKRMVZSJOCAX-UHFFFAOYSA-N -1 0 378.479 3.513 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CC2)o1 ZINC000096379633 208312083 /nfs/dbraw/zinc/31/20/83/208312083.db2.gz GPCGJXBCOYVIBT-UHFFFAOYSA-N -1 0 386.477 3.922 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1-c1nc(C2CC2)no1 ZINC000096379846 208313071 /nfs/dbraw/zinc/31/30/71/208313071.db2.gz OHKUBSDEGQZOQC-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000096386724 208313194 /nfs/dbraw/zinc/31/31/94/208313194.db2.gz VWKBRRRBUCQNMF-UHFFFAOYSA-N -1 0 387.339 3.678 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1-c1nnc(C2CCC2)o1 ZINC000096379694 208313254 /nfs/dbraw/zinc/31/32/54/208313254.db2.gz SIPYSOXLSPUZMY-UHFFFAOYSA-N -1 0 390.440 3.889 50 0 GHAARM CCc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccc(F)cc1 ZINC000100071954 208372354 /nfs/dbraw/zinc/37/23/54/208372354.db2.gz FOCIMFVKGMTYSD-UHFFFAOYSA-N -1 0 395.463 3.782 50 0 GHAARM Cc1nc2[n-]c(CNc3ccc(F)cc3)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101803087 208398388 /nfs/dbraw/zinc/39/83/88/208398388.db2.gz VMFWZNZOEWIKGG-UHFFFAOYSA-N -1 0 397.841 3.721 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136489176 208478108 /nfs/dbraw/zinc/47/81/08/208478108.db2.gz VZZZPPVFPIVLPC-CQSZACIVSA-N -1 0 394.880 3.763 50 0 GHAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002105225 208500837 /nfs/dbraw/zinc/50/08/37/208500837.db2.gz SZRSGMNZASYNOF-KRWDZBQOSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM O=C([O-])c1cccc(-n2c(=O)c3ccccc3nc2/C=C/c2ccc(O)cc2)c1 ZINC000004027707 208517327 /nfs/dbraw/zinc/51/73/27/208517327.db2.gz WPANXUCZTVBFGX-JLHYYAGUSA-N -1 0 384.391 3.960 50 0 biogenic GHAARM COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000001142235 208707517 /nfs/dbraw/zinc/70/75/17/208707517.db2.gz BPEXNMMVTSZROF-UHFFFAOYSA-N -1 0 390.244 3.525 50 0 GHAARM O=C([O-])CSc1nnc(COc2cccc(Cl)c2)n1-c1ccccc1 ZINC000021151141 208819022 /nfs/dbraw/zinc/81/90/22/208819022.db2.gz RDASNAGXZCWZHX-UHFFFAOYSA-N -1 0 375.837 3.676 50 0 GHAARM COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000096124221 209011518 /nfs/dbraw/zinc/01/15/18/209011518.db2.gz PQMXDQZUQOYKTE-UHFFFAOYSA-N -1 0 386.351 3.797 50 0 GHAARM CN(C)c1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)c1 ZINC000239807528 209017541 /nfs/dbraw/zinc/01/75/41/209017541.db2.gz CSRYECIMFUORAH-IBGZPJMESA-N -1 0 399.878 3.949 50 0 GHAARM CSCC[C@@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)[O-] ZINC000252548790 209037186 /nfs/dbraw/zinc/03/71/86/209037186.db2.gz QLDJQFPSPVIJQG-GOSISDBHSA-N -1 0 382.485 3.626 50 0 GHAARM Cc1nc(-c2ncc(C(F)(F)F)cc2Cl)nc(SCC(=O)[O-])c1F ZINC000261494853 209081207 /nfs/dbraw/zinc/08/12/07/209081207.db2.gz MGKHVFUCLJMLKG-UHFFFAOYSA-N -1 0 381.738 3.835 50 0 GHAARM O=S(=O)([N-]c1cc(Cc2ccccc2)ccc1O)c1c[nH]c2ncccc12 ZINC000072312880 222224413 /nfs/dbraw/zinc/22/44/13/222224413.db2.gz UGOSECDSLZVFFB-UHFFFAOYSA-N -1 0 379.441 3.660 50 0 GHAARM O=S(=O)([N-]c1cc(OCc2ccccc2)ncn1)c1ccccc1Cl ZINC000090593550 570381640 /nfs/dbraw/zinc/38/16/40/570381640.db2.gz JZWMNVKWYMRDGA-UHFFFAOYSA-N -1 0 375.837 3.510 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004976675 570387872 /nfs/dbraw/zinc/38/78/72/570387872.db2.gz VMLBNIRLCZVXIJ-FQEVSTJZSA-N -1 0 396.443 3.636 50 0 GHAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005025474 570399266 /nfs/dbraw/zinc/39/92/66/570399266.db2.gz QFCCYFVXAJPPCU-PTNGSMBKSA-N -1 0 389.333 3.674 50 0 GHAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000005575995 570447228 /nfs/dbraw/zinc/44/72/28/570447228.db2.gz OXFXKTGLNKCECN-UHFFFAOYSA-N -1 0 396.395 3.676 50 0 biogenic GHAARM COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3ccccc3F)c21 ZINC000061720547 570502804 /nfs/dbraw/zinc/50/28/04/570502804.db2.gz QDZPCPDKGKVJRY-ZDUSSCGKSA-N -1 0 380.375 3.797 50 0 GHAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NCc1ccco1 ZINC000005257994 570527809 /nfs/dbraw/zinc/52/78/09/570527809.db2.gz JUFREVLYXHOVNK-LJQANCHMSA-N -1 0 379.416 3.595 50 0 GHAARM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000225465590 570577101 /nfs/dbraw/zinc/57/71/01/570577101.db2.gz SFHSGFCNSIMUMP-UHFFFAOYSA-N -1 0 391.667 3.799 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c1 ZINC000064919785 570591035 /nfs/dbraw/zinc/59/10/35/570591035.db2.gz RUPVLVFVUANMJX-UHFFFAOYSA-N -1 0 392.546 3.721 50 0 GHAARM Cc1cccc(C)c1NC(=O)[C@@]1(CC(=O)[O-])CC(/C=C/c2ccccc2)=NO1 ZINC000005451727 570597404 /nfs/dbraw/zinc/59/74/04/570597404.db2.gz HCIFICMXSJYTOM-LEQVUBRHSA-N -1 0 378.428 3.945 50 0 GHAARM CC1(C)CC(=O)C(C(=O)CN(Cc2ccccc2)Cc2ccccc2)=C([O-])C1 ZINC000136527022 570612317 /nfs/dbraw/zinc/61/23/17/570612317.db2.gz DAVZYWKMZMGVQR-UHFFFAOYSA-N -1 0 377.484 3.832 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000033007298 570620041 /nfs/dbraw/zinc/62/00/41/570620041.db2.gz XQVLRBJXDGCPLP-UHFFFAOYSA-N -1 0 388.489 3.909 50 0 GHAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 ZINC000005602726 570668140 /nfs/dbraw/zinc/66/81/40/570668140.db2.gz VPYXJMJSWPBYBL-CYBMUJFWSA-N -1 0 376.478 3.968 50 0 GHAARM CCCn1ncc(C(=O)Nc2ccccc2-c2nnc(SCC)[n-]c2=O)c1C ZINC000055245169 570688910 /nfs/dbraw/zinc/68/89/10/570688910.db2.gz XJZKQFLTCFSCAD-UHFFFAOYSA-N -1 0 398.492 3.523 50 0 GHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2)o1 ZINC000065098670 570696094 /nfs/dbraw/zinc/69/60/94/570696094.db2.gz HTAWYFPIBBHKEM-UHFFFAOYSA-N -1 0 399.881 3.823 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Br)cc2)c1C ZINC000000991348 570711238 /nfs/dbraw/zinc/71/12/38/570711238.db2.gz VGWQHXUNMJMUHA-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM COc1cc(NC(=O)CSc2ccc(Cl)cc2)c(C(=O)[O-])cc1OC ZINC000001147862 570712327 /nfs/dbraw/zinc/71/23/27/570712327.db2.gz MIVQIHZIRHCCCL-UHFFFAOYSA-N -1 0 381.837 3.786 50 0 GHAARM O=S(=O)([N-]c1ccccc1OCc1cscn1)c1ccc(F)cc1F ZINC000058202325 570719395 /nfs/dbraw/zinc/71/93/95/570719395.db2.gz SZAVKBQPAMABPP-UHFFFAOYSA-N -1 0 382.413 3.801 50 0 GHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)n1 ZINC000065194567 570725780 /nfs/dbraw/zinc/72/57/80/570725780.db2.gz AIDVBYGYVHSZOD-UHFFFAOYSA-N -1 0 388.493 3.672 50 0 GHAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 ZINC000000985061 570743454 /nfs/dbraw/zinc/74/34/54/570743454.db2.gz PCYMBWIMOZWEHC-INIZCTEOSA-N -1 0 388.876 3.989 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1 ZINC000065246410 570747032 /nfs/dbraw/zinc/74/70/32/570747032.db2.gz CTBHLZWNYPPVPR-UHFFFAOYSA-N -1 0 389.433 3.797 50 0 GHAARM O=C([O-])c1cccc(CN2C(=O)S[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 ZINC000004669008 570813290 /nfs/dbraw/zinc/81/32/90/570813290.db2.gz ABIIFLRICPTVKS-CQSZACIVSA-N -1 0 376.821 3.672 50 0 GHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000012520874 570827463 /nfs/dbraw/zinc/82/74/63/570827463.db2.gz RAOHUOZHIBAFQS-LLVKDONJSA-N -1 0 384.860 3.808 50 0 GHAARM CCOc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(CC)c3=O)n2)cc1 ZINC000101724783 570829419 /nfs/dbraw/zinc/82/94/19/570829419.db2.gz YVQDMPZYVPLOSM-UHFFFAOYSA-N -1 0 395.390 3.982 50 0 GHAARM CCOc1cccc(-c2noc(-c3c([O-])c4ccccc4n(CC)c3=O)n2)c1 ZINC000101725523 570831698 /nfs/dbraw/zinc/83/16/98/570831698.db2.gz FPWLZUCPOVFFLX-UHFFFAOYSA-N -1 0 377.400 3.843 50 0 GHAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1)C(=O)[O-] ZINC000037018983 570833231 /nfs/dbraw/zinc/83/32/31/570833231.db2.gz OGKHANWLYVWKJU-KAMYIIQDSA-N -1 0 384.457 3.695 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2[n-]c1=S ZINC000102602514 570853563 /nfs/dbraw/zinc/85/35/63/570853563.db2.gz XQUFHLWSNMKOCF-GOSISDBHSA-N -1 0 379.485 3.586 50 0 GHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)c1 ZINC000102820709 570865944 /nfs/dbraw/zinc/86/59/44/570865944.db2.gz RIIAJZGQYBWQOV-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)cc2[n-]c1=S ZINC000102832515 570866358 /nfs/dbraw/zinc/86/63/58/570866358.db2.gz DYQLTDZMIDBUKP-STQMWFEESA-N -1 0 399.438 3.556 50 0 GHAARM CC(C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)(c1ccccc1)c1ccccc1 ZINC000104390579 570899663 /nfs/dbraw/zinc/89/96/63/570899663.db2.gz CASURLQVGWVFHY-UHFFFAOYSA-N -1 0 385.423 3.975 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)s1 ZINC000013696513 570900533 /nfs/dbraw/zinc/90/05/33/570900533.db2.gz JIXKONVMGDAORY-UHFFFAOYSA-N -1 0 378.519 3.793 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238068723 570945318 /nfs/dbraw/zinc/94/53/18/570945318.db2.gz JMIQBWJGAHQVBU-LSDHHAIUSA-N -1 0 386.275 3.579 50 0 GHAARM Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000004732581 570947330 /nfs/dbraw/zinc/94/73/30/570947330.db2.gz VXBPBIRTQBAILR-UHFFFAOYSA-N -1 0 386.498 3.787 50 0 GHAARM O=S(=O)([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccnc2)cc1 ZINC000004531808 570949667 /nfs/dbraw/zinc/94/96/67/570949667.db2.gz WQZFKVVTERJXOR-FQEVSTJZSA-N -1 0 379.441 3.684 50 0 GHAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)C1 ZINC000178261705 570970933 /nfs/dbraw/zinc/97/09/33/570970933.db2.gz GZHVUZYFVYENSG-LLVKDONJSA-N -1 0 381.215 3.727 50 0 GHAARM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1F ZINC000012737332 570978886 /nfs/dbraw/zinc/97/88/86/570978886.db2.gz HJTPYINFFBLBHJ-UHFFFAOYSA-N -1 0 377.224 3.892 50 0 GHAARM O=S(=O)([N-]c1ccc(Br)cc1)c1cc(-c2ccno2)cs1 ZINC000044903646 570982124 /nfs/dbraw/zinc/98/21/24/570982124.db2.gz KDCPPQCIKYHCNJ-UHFFFAOYSA-N -1 0 385.264 3.966 50 0 GHAARM Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)c1C ZINC000044889798 570982294 /nfs/dbraw/zinc/98/22/94/570982294.db2.gz CKNATGJLFJXWDZ-UHFFFAOYSA-N -1 0 392.458 3.592 50 0 GHAARM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000191041050 602032550 /nfs/dbraw/zinc/03/25/50/602032550.db2.gz AJMPHRFLWYNQQX-FQEVSTJZSA-N -1 0 398.488 3.678 50 0 GHAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002925442 861799994 /nfs/dbraw/zinc/79/99/94/861799994.db2.gz NGSYLMCVTYHJJT-UHFFFAOYSA-N -1 0 377.535 3.907 50 0 GHAARM Cc1ccc2c(=O)c(C(=O)[N-]OCc3ccc(C(F)(F)F)cc3)cnc-2[nH]1 ZINC000154102364 854855129 /nfs/dbraw/zinc/85/51/29/854855129.db2.gz PQXMWTOYIZSFJD-UHFFFAOYSA-N -1 0 377.322 3.524 50 0 GHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000008274387 856094032 /nfs/dbraw/zinc/09/40/32/856094032.db2.gz JFIWJBBNMVFXIV-MRXNPFEDSA-N -1 0 376.334 3.612 50 0 GHAARM O=c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)[n-]c2ccsc21 ZINC000009376890 857170304 /nfs/dbraw/zinc/17/03/04/857170304.db2.gz OMDZWWFRIJDTCS-UHFFFAOYSA-N -1 0 395.513 3.794 50 0 GHAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](CCC(=O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000064857979 857295556 /nfs/dbraw/zinc/29/55/56/857295556.db2.gz OFISZERSIOETNK-LYTHEMCMSA-N -1 0 388.504 3.528 50 0 in-vitro GHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1 ZINC000009807540 857347613 /nfs/dbraw/zinc/34/76/13/857347613.db2.gz YDVJRGJOLBUTCF-UHFFFAOYSA-N -1 0 378.519 3.908 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1C(F)(F)F ZINC000185145365 865488091 /nfs/dbraw/zinc/48/80/91/865488091.db2.gz GQXSDVWKRRJMOC-ZDUSSCGKSA-N -1 0 389.351 3.522 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(F)c2)CC(=O)N3)c1 ZINC000066087461 878047983 /nfs/dbraw/zinc/04/79/83/878047983.db2.gz IYGCZJNKVZWMCV-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCC[C@H](CNC(=O)C2CCC2)C1 ZINC000952976112 904656836 /nfs/dbraw/zinc/65/68/36/904656836.db2.gz QDQPFNPMSKLPHJ-MRXNPFEDSA-N -1 0 393.487 3.580 50 0 GHAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101067787 535226153 /nfs/dbraw/zinc/22/61/53/535226153.db2.gz CMCDYYVOGNWOBG-VHEBQXMUSA-N -1 0 381.476 3.722 50 0 GHAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)ccc1O ZINC000253402018 206282913 /nfs/dbraw/zinc/28/29/13/206282913.db2.gz FYIIAOADVAZCFU-MRXNPFEDSA-N -1 0 390.391 3.778 50 0 biogenic GHAARM COc1ccc(/C=C2/N=C(SCC(=O)[O-])N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000096847276 206302000 /nfs/dbraw/zinc/30/20/00/206302000.db2.gz YHTJFGDAOAINME-WOJGMQOQSA-N -1 0 396.468 3.874 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c1C ZINC000000687804 206317023 /nfs/dbraw/zinc/31/70/23/206317023.db2.gz LOLVBVJLUDHLOJ-UHFFFAOYSA-N -1 0 380.897 3.896 50 0 GHAARM Cc1cc(=O)n(-c2nc(-c3ccc(I)cc3)cs2)[n-]1 ZINC000000831246 206324910 /nfs/dbraw/zinc/32/49/10/206324910.db2.gz DOWOISHPSMFFSO-UHFFFAOYSA-N -1 0 383.214 3.527 50 0 GHAARM Cc1nnsc1-c1c(C(=O)[O-])c(C)nn1-c1ccc(OC(F)(F)F)cc1 ZINC000001031992 206343591 /nfs/dbraw/zinc/34/35/91/206343591.db2.gz HMHGNAITIQIGTI-UHFFFAOYSA-N -1 0 384.339 3.604 50 0 GHAARM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001046857 206346313 /nfs/dbraw/zinc/34/63/13/206346313.db2.gz WTFRPQQVUYHOET-UHFFFAOYSA-N -1 0 393.770 3.946 50 0 GHAARM O=C([O-])CS[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000001400570 206379491 /nfs/dbraw/zinc/37/94/91/206379491.db2.gz QUPSRCJDJHSSHD-OAHLLOKOSA-N -1 0 380.263 3.947 50 0 GHAARM CCOC(=O)c1c(C)n(C)c2ccc(OC([O-])=NC(=O)c3ccccc3)cc21 ZINC000001470963 206383258 /nfs/dbraw/zinc/38/32/58/206383258.db2.gz KPIOIUZEASNNFI-UHFFFAOYSA-N -1 0 380.400 3.592 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000001513244 206384475 /nfs/dbraw/zinc/38/44/75/206384475.db2.gz AVZZJBFVERTOFX-UHFFFAOYSA-N -1 0 388.173 3.506 50 0 GHAARM O=C([O-])c1cccc(-n2c(=O)c3ccccc3nc2/C=C/c2ccccc2O)c1 ZINC000004812043 206556689 /nfs/dbraw/zinc/55/66/89/206556689.db2.gz MKNMFUFAQGURSM-OUKQBFOZSA-N -1 0 384.391 3.960 50 0 GHAARM O=C(COc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147215 206642760 /nfs/dbraw/zinc/64/27/60/206642760.db2.gz GNYWLYBHAFUJNX-UHFFFAOYSA-N -1 0 388.470 3.566 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000009356421 206784871 /nfs/dbraw/zinc/78/48/71/206784871.db2.gz CELAZPIHZPIZSI-UHFFFAOYSA-N -1 0 388.489 3.512 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2)N1CCCCC1 ZINC000012508310 206904986 /nfs/dbraw/zinc/90/49/86/206904986.db2.gz KKERDKIITSCZLB-UHFFFAOYSA-N -1 0 398.528 3.992 50 0 GHAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017077816 207082629 /nfs/dbraw/zinc/08/26/29/207082629.db2.gz XHWZVRWOMUPRJI-UHFFFAOYSA-N -1 0 380.510 3.875 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc3ccccc3c2C)c1 ZINC000028813695 207348569 /nfs/dbraw/zinc/34/85/69/207348569.db2.gz UFKKPKUSIBNFMD-UHFFFAOYSA-N -1 0 375.471 3.961 50 0 GHAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000071285243 207934807 /nfs/dbraw/zinc/93/48/07/207934807.db2.gz FMBJRVPRJNRNMJ-HOTGVXAUSA-N -1 0 388.370 3.512 50 0 GHAARM O=C([O-])c1ccccc1-c1nccn1Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000082093323 208076684 /nfs/dbraw/zinc/07/66/84/208076684.db2.gz ZDVUVUQHEIUVLE-UHFFFAOYSA-N -1 0 389.455 3.923 50 0 GHAARM COc1ccccc1CC(C)(C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000095424107 208180990 /nfs/dbraw/zinc/18/09/90/208180990.db2.gz NKQOWYZWDTXNDZ-UHFFFAOYSA-N -1 0 395.499 3.909 50 0 GHAARM O=C(Nc1cc(Cl)ccn1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000095959630 208243399 /nfs/dbraw/zinc/24/33/99/208243399.db2.gz ODYQSQSQJMPBLP-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000095983203 208248703 /nfs/dbraw/zinc/24/87/03/208248703.db2.gz ILUWNFDDZNWJEC-UHFFFAOYSA-N -1 0 380.214 3.527 50 0 GHAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c(C)s2)on1 ZINC000096323483 208306050 /nfs/dbraw/zinc/30/60/50/208306050.db2.gz BYTGXIHCHCUNRH-UHFFFAOYSA-N -1 0 392.458 3.592 50 0 GHAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2C)o1 ZINC000096379399 208310843 /nfs/dbraw/zinc/31/08/43/208310843.db2.gz XYTPGBVGFXYKBV-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(-c2nnc(C3CC3)o2)c1C ZINC000096379471 208312105 /nfs/dbraw/zinc/31/21/05/208312105.db2.gz BVYAFTSVDYFAFF-UHFFFAOYSA-N -1 0 386.477 3.922 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000100543115 208377242 /nfs/dbraw/zinc/37/72/42/208377242.db2.gz QMYKWRRRNNHKCD-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000100498480 208377315 /nfs/dbraw/zinc/37/73/15/208377315.db2.gz ARSKGTVRMZEEPF-UHFFFAOYSA-N -1 0 387.233 3.742 50 0 GHAARM Cc1ccc2nc(NC(=O)c3c([O-])c4cccc5c4n(c3=O)CCC5)sc2c1 ZINC000100613830 208378468 /nfs/dbraw/zinc/37/84/68/208378468.db2.gz ATTNJZHKCFZPKV-UHFFFAOYSA-N -1 0 391.452 3.824 50 0 GHAARM O=C(Nc1ccc(C(F)(F)F)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100331687 208373627 /nfs/dbraw/zinc/37/36/27/208373627.db2.gz BJRMOYVPFMTTKT-UHFFFAOYSA-N -1 0 388.345 3.924 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cccc(C)c4C)nn3c2=O)cc1 ZINC000101803007 208398760 /nfs/dbraw/zinc/39/87/60/208398760.db2.gz CYWWVYUVPPWXIG-UHFFFAOYSA-N -1 0 387.487 3.854 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)N1CCCCC1 ZINC000101831222 208399248 /nfs/dbraw/zinc/39/92/48/208399248.db2.gz DLAJSZWIPWIUBO-UHFFFAOYSA-N -1 0 396.516 3.873 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000238065170 208471585 /nfs/dbraw/zinc/47/15/85/208471585.db2.gz PTFSCPHOZRRSFH-FUHWJXTLSA-N -1 0 385.410 3.713 50 0 GHAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CC=C(c2ccccc2)CC1 ZINC000003043639 208507519 /nfs/dbraw/zinc/50/75/19/208507519.db2.gz LQDCAORBCZDGKQ-UHFFFAOYSA-N -1 0 391.496 3.765 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000039954183 209092557 /nfs/dbraw/zinc/09/25/57/209092557.db2.gz VFLUPEOVUJOYOE-STQMWFEESA-N -1 0 375.343 3.547 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000065184012 222107799 /nfs/dbraw/zinc/10/77/99/222107799.db2.gz HVNSBFGSAHOBQO-UHFFFAOYSA-N -1 0 382.486 3.725 50 0 GHAARM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000048366209 570245801 /nfs/dbraw/zinc/24/58/01/570245801.db2.gz LDPZMXXMBPDEJB-UHFFFAOYSA-N -1 0 399.266 3.818 50 0 GHAARM Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCC(=O)[O-])C2=O)cc1 ZINC000002827005 570305097 /nfs/dbraw/zinc/30/50/97/570305097.db2.gz RBCIHXJFIQLZKQ-YVLHZVERSA-N -1 0 383.425 3.695 50 0 GHAARM O=C([N-]C1=NC(=O)[C@@](F)(C(F)(F)F)S1)Nc1ccc(Cl)c(Cl)c1 ZINC000002872256 570313927 /nfs/dbraw/zinc/31/39/27/570313927.db2.gz KAZXGXPXQXRCSE-JTQLQIEISA-N -1 0 390.145 3.972 50 0 GHAARM COc1ccccc1-c1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000237106566 570328950 /nfs/dbraw/zinc/32/89/50/570328950.db2.gz SVIXGQLHERTGRJ-KCXAZCMYSA-N -1 0 386.473 3.677 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003186064 570331468 /nfs/dbraw/zinc/33/14/68/570331468.db2.gz FALCSNQWIXSHNC-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM COc1cc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)cc(OC)c1O ZINC000011694705 570343287 /nfs/dbraw/zinc/34/32/87/570343287.db2.gz ITQFYKQTIBSKDH-UHFFFAOYSA-N -1 0 391.383 3.713 50 0 GHAARM O=C([O-])c1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000004334483 570368545 /nfs/dbraw/zinc/36/85/45/570368545.db2.gz QMPDHOZLFFXXDW-UHFFFAOYSA-N -1 0 398.462 3.913 50 0 GHAARM Cc1ccc(-n2ncc(C(=O)N3CCC(C(=O)[O-])CC3)c2C2CC2)cc1Cl ZINC000237781793 570397100 /nfs/dbraw/zinc/39/71/00/570397100.db2.gz YUQKAWMXPYVBDQ-UHFFFAOYSA-N -1 0 387.867 3.648 50 0 GHAARM Cc1ccc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nn1 ZINC000035597980 570400582 /nfs/dbraw/zinc/40/05/82/570400582.db2.gz UEOCOONERLTPBU-UHFFFAOYSA-N -1 0 376.388 3.608 50 0 GHAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000035588203 570402470 /nfs/dbraw/zinc/40/24/70/570402470.db2.gz CFAWMZMYCZIPRF-UHFFFAOYSA-N -1 0 380.897 3.540 50 0 GHAARM CCN(C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000004821118 570408823 /nfs/dbraw/zinc/40/88/23/570408823.db2.gz SETHUCOLGVYWTM-WOJBJXKFSA-N -1 0 392.455 3.959 50 0 GHAARM CCOC(=O)c1sc([N-]c2nc3cc(OC)c(OC)cc3s2)nc1C ZINC000005122785 570420894 /nfs/dbraw/zinc/42/08/94/570420894.db2.gz UFDUJVFGNSMMPH-UHFFFAOYSA-N -1 0 379.463 3.999 50 0 GHAARM CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000005100891 570429289 /nfs/dbraw/zinc/42/92/89/570429289.db2.gz WOHGJIWWPZOXPP-QVDLRHOJSA-N -1 0 389.451 3.522 50 0 GHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1 ZINC000006267824 570474855 /nfs/dbraw/zinc/47/48/55/570474855.db2.gz DZEIBLLYUYCFEY-UHFFFAOYSA-N -1 0 388.489 3.512 50 0 GHAARM O=C(CCC1CCCCC1)N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005209606 570506887 /nfs/dbraw/zinc/50/68/87/570506887.db2.gz SJIIOKTZDCLSAH-SFHVURJKSA-N -1 0 394.397 3.837 50 0 GHAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000006653406 570520717 /nfs/dbraw/zinc/52/07/17/570520717.db2.gz ZMBYWLODGHKMDT-UHFFFAOYSA-N -1 0 381.501 3.883 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000001129155 570534898 /nfs/dbraw/zinc/53/48/98/570534898.db2.gz PUVGGQNRUIHCRW-RBUKOAKNSA-N -1 0 396.443 3.777 50 0 GHAARM CC(C)=CCC/C(C)=C\CC(C)(C)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000022258117 570538617 /nfs/dbraw/zinc/53/86/17/570538617.db2.gz HPRZUVLINFKFRD-FIWNPQIESA-N -1 0 387.520 3.962 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000032962069 570542431 /nfs/dbraw/zinc/54/24/31/570542431.db2.gz JEFCDLBOKCAMJG-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM COc1ccc([C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000002221699 570542939 /nfs/dbraw/zinc/54/29/39/570542939.db2.gz CCWNANOHUGFNHI-IBGZPJMESA-N -1 0 375.490 3.638 50 0 GHAARM O=C([O-])c1ccccc1-c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)o1 ZINC000005387554 570570929 /nfs/dbraw/zinc/57/09/29/570570929.db2.gz VGIXFCSVXBCUBQ-AATRIKPKSA-N -1 0 376.290 3.917 50 0 GHAARM CCC(=O)[N-]S(=O)(=O)c1cnccc1Sc1c(Cl)cccc1Cl ZINC000005393142 570584300 /nfs/dbraw/zinc/58/43/00/570584300.db2.gz QZADQNLMXCHFDK-UHFFFAOYSA-N -1 0 391.301 3.755 50 0 GHAARM Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000005625884 570672245 /nfs/dbraw/zinc/67/22/45/570672245.db2.gz JJPKWCKBFYSBOD-UHFFFAOYSA-N -1 0 386.864 3.525 50 0 GHAARM CC(C)c1ccc(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013235404 570751241 /nfs/dbraw/zinc/75/12/41/570751241.db2.gz XWICQSYSXLIOJW-HXUWFJFHSA-N -1 0 379.460 3.786 50 0 GHAARM COc1cc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)cc(OC)c1O ZINC000524731629 570766470 /nfs/dbraw/zinc/76/64/70/570766470.db2.gz FLKOWXYAHDFWFF-UHFFFAOYSA-N -1 0 396.351 3.556 50 0 biogenic GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101836329 570837169 /nfs/dbraw/zinc/83/71/69/570837169.db2.gz LVECFUFWEINQAZ-QGZVFWFLSA-N -1 0 394.818 3.772 50 0 GHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1F ZINC000101836117 570837182 /nfs/dbraw/zinc/83/71/82/570837182.db2.gz VCTHSBLTVZRMFF-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000012538950 570837540 /nfs/dbraw/zinc/83/75/40/570837540.db2.gz BKXMHFQMTDKIMV-UHFFFAOYSA-N -1 0 396.266 3.525 50 0 GHAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033253426 570861309 /nfs/dbraw/zinc/86/13/09/570861309.db2.gz MVQCXRUXVWCCDI-UHFFFAOYSA-N -1 0 392.452 3.561 50 0 GHAARM CCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000033254053 570861727 /nfs/dbraw/zinc/86/17/27/570861727.db2.gz ZJMFWFHHIIVQTC-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102878992 570869861 /nfs/dbraw/zinc/86/98/61/570869861.db2.gz PWIDUHAKVSKNCP-MEBBXXQBSA-N -1 0 378.448 3.904 50 0 GHAARM O=S(=O)([N-]c1nnc(-c2ccncc2)o1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000170617422 570876514 /nfs/dbraw/zinc/87/65/14/570876514.db2.gz PMXBTVUIOUQLGG-UHFFFAOYSA-N -1 0 390.424 3.504 50 0 GHAARM O=c1[n-]c(CNc2cccc(Cl)c2)nn1Cc1cccc(OC(F)(F)F)c1 ZINC000071283883 570887392 /nfs/dbraw/zinc/88/73/92/570887392.db2.gz YJHUQRRIECEADL-UHFFFAOYSA-N -1 0 398.772 3.784 50 0 GHAARM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000328695854 570932057 /nfs/dbraw/zinc/93/20/57/570932057.db2.gz TYMVKAVQCNNRQC-LLVKDONJSA-N -1 0 376.448 3.745 50 0 GHAARM Cc1oc2cc3oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c3cc2c1C ZINC000002148832 570972096 /nfs/dbraw/zinc/97/20/96/570972096.db2.gz UCIXHMWSUJUCSV-UHFFFAOYSA-N -1 0 399.443 3.768 50 0 biogenic GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=C1CCCC1)C(=O)N2C ZINC000045895230 570999051 /nfs/dbraw/zinc/99/90/51/570999051.db2.gz BLTWNCXFTOFECW-UHFFFAOYSA-N -1 0 398.484 3.800 50 0 GHAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)sc1C ZINC000002730594 861553387 /nfs/dbraw/zinc/55/33/87/861553387.db2.gz DMYZIUMZYPKLHH-UHFFFAOYSA-N -1 0 393.515 3.875 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000262993136 845600596 /nfs/dbraw/zinc/60/05/96/845600596.db2.gz VNAMKIRPWJHASK-HZPDHXFCSA-N -1 0 379.334 3.526 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000002830923 861677964 /nfs/dbraw/zinc/67/79/64/861677964.db2.gz LXZQVWGFWHPFEY-SFHVURJKSA-N -1 0 377.421 3.962 50 0 GHAARM Cc1oc(-c2ccccc2)nc1C(=O)[N-]N1C(=O)c2cccc3cccc(c32)C1=O ZINC000003353891 862361062 /nfs/dbraw/zinc/36/10/62/862361062.db2.gz LJBZNHGITZULPI-UHFFFAOYSA-N -1 0 397.390 3.744 50 0 GHAARM COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000002312627 855199344 /nfs/dbraw/zinc/19/93/44/855199344.db2.gz KLPSJCBFSQVGJG-CYBMUJFWSA-N -1 0 377.824 3.629 50 0 GHAARM COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470739 855328613 /nfs/dbraw/zinc/32/86/13/855328613.db2.gz BZLZVULGGDOHED-GOSISDBHSA-N -1 0 397.402 3.962 50 0 GHAARM COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000040287304 856724985 /nfs/dbraw/zinc/72/49/85/856724985.db2.gz ZNYATOLQNARBCO-HNNXBMFYSA-N -1 0 393.399 3.711 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1 ZINC000009646341 857274775 /nfs/dbraw/zinc/27/47/75/857274775.db2.gz JHLFHLPSQYWNMY-UHFFFAOYSA-N -1 0 391.470 3.887 50 0 GHAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](C(c1ccccc1)c1ccccc1)CC(=O)N2 ZINC000065396270 869097323 /nfs/dbraw/zinc/09/73/23/869097323.db2.gz PEHWXLLKQIFYEW-KRWDZBQOSA-N -1 0 375.428 3.534 50 0 GHAARM O=C([O-])C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccccc2s1 ZINC000096767459 871223004 /nfs/dbraw/zinc/22/30/04/871223004.db2.gz PCMRYWUJAUHQNU-WZUFQYTHSA-N -1 0 384.369 3.949 50 0 GHAARM Cc1cc(CN2CC(O)C2)ccc1OC1(C(=O)[O-])CC(C)(C)CC(C)(C)C1 ZINC000200593395 876935012 /nfs/dbraw/zinc/93/50/12/876935012.db2.gz WUXGNLOMZZSHDH-UHFFFAOYSA-N -1 0 375.509 3.610 50 0 GHAARM Cc1ccc(N2C(=O)C(=CNc3ccccc3C(C)C)C(=O)[N-]C2=S)cc1 ZINC000263630246 888865875 /nfs/dbraw/zinc/86/58/75/888865875.db2.gz QHORFMDPEIHYQS-KRWDZBQOSA-N -1 0 379.485 3.885 50 0 GHAARM Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191212098 893441872 /nfs/dbraw/zinc/44/18/72/893441872.db2.gz LEZNJYFWRGYRAN-CQSZACIVSA-N -1 0 375.856 3.551 50 0 GHAARM O=C([O-])c1ccccc1-c1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)o1 ZINC000217829302 894488629 /nfs/dbraw/zinc/48/86/29/894488629.db2.gz VWMHHAVNXDHBEC-AWEZNQCLSA-N -1 0 378.336 3.815 50 0 biogenic GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NC(=O)C=Cc1cc2c(c(Cl)c1)OCO2 ZINC000222286318 901721097 /nfs/dbraw/zinc/72/10/97/901721097.db2.gz GRAKTRMWBRRSNW-FPLPWBNLSA-N -1 0 397.818 3.508 50 0 GHAARM CC(=O)Oc1cccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)[O-])cs3)n2)c1 ZINC000005274810 209122610 /nfs/dbraw/zinc/12/26/10/209122610.db2.gz CQAKKWMELHTDFI-UHFFFAOYSA-N -1 0 397.334 3.638 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1O ZINC000253412959 206283049 /nfs/dbraw/zinc/28/30/49/206283049.db2.gz SPFDQFQFALIRCL-INIZCTEOSA-N -1 0 390.391 3.778 50 0 biogenic GHAARM CCc1cc2c(cc1OCC(=O)[O-])oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000004024231 206293430 /nfs/dbraw/zinc/29/34/30/206293430.db2.gz CKDRSRIVEGWMFI-UHFFFAOYSA-N -1 0 396.395 3.565 50 0 biogenic GHAARM COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000000868456 206329011 /nfs/dbraw/zinc/32/90/11/206329011.db2.gz GZIFKDGMGGIQOY-GOSISDBHSA-N -1 0 396.443 3.555 50 0 GHAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000000881411 206330261 /nfs/dbraw/zinc/33/02/61/206330261.db2.gz BOZOYZLXKCAWSJ-UHFFFAOYSA-N -1 0 396.424 3.960 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O ZINC000000916952 206333170 /nfs/dbraw/zinc/33/31/70/206333170.db2.gz ZZRMMAFSBJHWHS-CQSZACIVSA-N -1 0 395.358 3.828 50 0 GHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000001023274 206342518 /nfs/dbraw/zinc/34/25/18/206342518.db2.gz OUFPMNGLEOXUFA-UHFFFAOYSA-N -1 0 375.306 3.842 50 0 GHAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1 ZINC000001033970 206343801 /nfs/dbraw/zinc/34/38/01/206343801.db2.gz XDBLDXDHWLYIHR-UHFFFAOYSA-N -1 0 386.795 3.664 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000001067992 206348468 /nfs/dbraw/zinc/34/84/68/206348468.db2.gz GOBAWAVDYSNSDD-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM O=C(Nc1ccccc1C(F)(F)F)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001294362 206372329 /nfs/dbraw/zinc/37/23/29/206372329.db2.gz BYHLZJPHJBSNRQ-UHFFFAOYSA-N -1 0 388.345 3.924 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccc(F)cc3)c(=O)c12 ZINC000010166807 206374610 /nfs/dbraw/zinc/37/46/10/206374610.db2.gz WJFQJIKTAANHOU-UHFFFAOYSA-N -1 0 376.391 3.722 50 0 GHAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000009827877 206377026 /nfs/dbraw/zinc/37/70/26/206377026.db2.gz HDEKWGOLURLWCW-UHFFFAOYSA-N -1 0 386.454 3.931 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3N[C@H]2c2cccs2)cc1 ZINC000001440087 206382109 /nfs/dbraw/zinc/38/21/09/206382109.db2.gz YUIOJGBMSLFMRL-GOSISDBHSA-N -1 0 399.497 3.517 50 0 GHAARM Cc1ccccc1OCC(=O)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000001139698 206358721 /nfs/dbraw/zinc/35/87/21/206358721.db2.gz YSXDWVHZQPZUQG-UHFFFAOYSA-N -1 0 385.272 3.899 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(OC)c1 ZINC000001146285 206360040 /nfs/dbraw/zinc/36/00/40/206360040.db2.gz FMAZXEKVXBVQMS-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002838258 206439661 /nfs/dbraw/zinc/43/96/61/206439661.db2.gz RDAAAODXZHZNMQ-MSOLQXFVSA-N -1 0 378.428 3.853 50 0 GHAARM CN(c1ncc(C(F)(F)F)cc1Cl)n1cc(C(=O)[O-])c2ccccc2c1=O ZINC000002569447 206421552 /nfs/dbraw/zinc/42/15/52/206421552.db2.gz LKSIDZXKDRUHTD-UHFFFAOYSA-N -1 0 397.740 3.666 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1 ZINC000006146625 206641590 /nfs/dbraw/zinc/64/15/90/206641590.db2.gz QRWNZQCJQVKZGQ-UHFFFAOYSA-N -1 0 398.459 3.865 50 0 GHAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000014222694 207016605 /nfs/dbraw/zinc/01/66/05/207016605.db2.gz HTZFXYCCGXHAMH-UHFFFAOYSA-N -1 0 395.406 3.766 50 0 GHAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC000014632727 207024575 /nfs/dbraw/zinc/02/45/75/207024575.db2.gz NNMNKVJISWGUDI-UHFFFAOYSA-N -1 0 381.428 3.549 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000014632459 207025476 /nfs/dbraw/zinc/02/54/76/207025476.db2.gz WEQGRNHFFNXVEK-JQWIXIFHSA-N -1 0 375.343 3.547 50 0 GHAARM O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020744600 207213104 /nfs/dbraw/zinc/21/31/04/207213104.db2.gz SUSKHZZWZRHDIT-FQEVSTJZSA-N -1 0 378.428 3.757 50 0 GHAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1 ZINC000020745287 207213233 /nfs/dbraw/zinc/21/32/33/207213233.db2.gz MLTWNDIUYICJLA-QGZVFWFLSA-N -1 0 386.860 3.948 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000024152984 207288738 /nfs/dbraw/zinc/28/87/38/207288738.db2.gz HOIYUCPEULMRJO-UHFFFAOYSA-N -1 0 386.473 3.629 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1 ZINC000032097924 207392131 /nfs/dbraw/zinc/39/21/31/207392131.db2.gz BISKLEJKMGMRPB-UHFFFAOYSA-N -1 0 381.461 3.670 50 0 GHAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040267711 207591969 /nfs/dbraw/zinc/59/19/69/207591969.db2.gz VEGZZEUHQDJRRG-UHFFFAOYSA-N -1 0 399.299 3.983 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000041091083 207619591 /nfs/dbraw/zinc/61/95/91/207619591.db2.gz QEZHKZSPRKTUBL-HXUWFJFHSA-N -1 0 387.501 3.709 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c1 ZINC000065246452 207850244 /nfs/dbraw/zinc/85/02/44/207850244.db2.gz MDGSOXCRTNDLMK-UHFFFAOYSA-N -1 0 389.433 3.797 50 0 GHAARM CCOc1ccc(-c2ccnc(N[C@@H]3COC4(CCCC4)C3)n2)cc1C(=O)[O-] ZINC000077302703 208038781 /nfs/dbraw/zinc/03/87/81/208038781.db2.gz SMJQVCAQWOENTJ-HNNXBMFYSA-N -1 0 383.448 3.754 50 0 GHAARM Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc2sc(N)nc21 ZINC000095379921 208172199 /nfs/dbraw/zinc/17/21/99/208172199.db2.gz DQUBSTWXNBIBDS-OAHLLOKOSA-N -1 0 395.484 3.905 50 0 GHAARM Cn1nc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1-c1cccs1 ZINC000095390777 208177015 /nfs/dbraw/zinc/17/70/15/208177015.db2.gz QZEDWJRFCDWKBS-MRXNPFEDSA-N -1 0 395.484 3.867 50 0 GHAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4cccc(C(=O)[O-])c4)C3)[nH]n2)o1 ZINC000095391026 208177541 /nfs/dbraw/zinc/17/75/41/208177541.db2.gz CGHZXQVJDKOHOS-INIZCTEOSA-N -1 0 379.416 3.696 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1 ZINC000101832690 208398904 /nfs/dbraw/zinc/39/89/04/208398904.db2.gz AIQBEOQPJFKFCW-UHFFFAOYSA-N -1 0 376.869 3.876 50 0 GHAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237729087 208469646 /nfs/dbraw/zinc/46/96/46/208469646.db2.gz XZDOESVNYURKKN-AWEZNQCLSA-N -1 0 375.856 3.551 50 0 GHAARM Cc1coc2cc3oc(=O)c(CC(=O)NC4(C(=O)[O-])CCCCC4)c(C)c3cc12 ZINC000002111688 208500472 /nfs/dbraw/zinc/50/04/72/208500472.db2.gz YSVUJQGXCSRXCE-UHFFFAOYSA-N -1 0 397.427 3.602 50 0 biogenic GHAARM CSCC[C@H](NC(=O)c1ccc2ccn(Cc3ccccc3)c2c1)C(=O)[O-] ZINC000170625468 208754926 /nfs/dbraw/zinc/75/49/26/208754926.db2.gz QLDJQFPSPVIJQG-SFHVURJKSA-N -1 0 382.485 3.626 50 0 GHAARM COCC[C@]1(C(=O)[O-])CCCN(c2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071714961 136165828 /nfs/dbraw/zinc/16/58/28/136165828.db2.gz JNSKDNRDMZDVAG-GOSISDBHSA-N -1 0 382.382 3.961 50 0 GHAARM O=C([O-])c1cc(C(F)(F)F)cn(-c2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000261494980 209079776 /nfs/dbraw/zinc/07/97/76/209079776.db2.gz ZJTGPCLKOXBHPO-UHFFFAOYSA-N -1 0 386.635 3.622 50 0 GHAARM O=C(NCc1ccc(OC(F)F)cc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047932749 570216163 /nfs/dbraw/zinc/21/61/63/570216163.db2.gz SBGRKJCRNILYCZ-UHFFFAOYSA-N -1 0 377.372 3.529 50 0 GHAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000022626755 570227617 /nfs/dbraw/zinc/22/76/17/570227617.db2.gz IQSWARWUUVMLHU-HFAKWTLXSA-N -1 0 392.912 3.657 50 0 GHAARM COc1ccc(Nc2[n-]n3c(nc(C)cc3=O)c2NC(=O)c2ccccc2)cc1 ZINC000112579847 570254114 /nfs/dbraw/zinc/25/41/14/570254114.db2.gz KJTDKXABKWRZIL-UHFFFAOYSA-N -1 0 389.415 3.748 50 0 GHAARM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000119827222 570310646 /nfs/dbraw/zinc/31/06/46/570310646.db2.gz PVEZQYYJALCVAP-UHFFFAOYSA-N -1 0 394.443 3.638 50 0 GHAARM CCCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000002997307 570324568 /nfs/dbraw/zinc/32/45/68/570324568.db2.gz FETGZZVLICYTKI-UHFFFAOYSA-N -1 0 386.473 3.999 50 0 GHAARM Cc1ccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[n-]2)cc1Cl ZINC000034767830 570333568 /nfs/dbraw/zinc/33/35/68/570333568.db2.gz GJMLQYKVCQQMNH-UHFFFAOYSA-N -1 0 396.878 3.797 50 0 GHAARM COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)CCC(=O)[O-] ZINC000003841522 570351279 /nfs/dbraw/zinc/35/12/79/570351279.db2.gz ZLTHBTQPHVRJGL-UHFFFAOYSA-N -1 0 383.809 3.784 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000035405172 570351738 /nfs/dbraw/zinc/35/17/38/570351738.db2.gz PEINUYKOPWAMLY-UHFFFAOYSA-N -1 0 394.518 3.574 50 0 GHAARM O=C([O-])c1ccccc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000004324673 570368291 /nfs/dbraw/zinc/36/82/91/570368291.db2.gz QPTSOBLQBXUCHK-UHFFFAOYSA-N -1 0 390.404 3.970 50 0 GHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000035397499 570369864 /nfs/dbraw/zinc/36/98/64/570369864.db2.gz UWFPLNDOYKTROW-UHFFFAOYSA-N -1 0 391.493 3.515 50 0 GHAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000005248837 570383583 /nfs/dbraw/zinc/38/35/83/570383583.db2.gz UFZBTKMONASSNL-MKMNVTDBSA-N -1 0 393.226 3.761 50 0 GHAARM Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000004550299 570383640 /nfs/dbraw/zinc/38/36/40/570383640.db2.gz ODFPQTVYVHYJNC-UHFFFAOYSA-N -1 0 385.375 3.725 50 0 GHAARM Cc1c(=O)c2cccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000237761496 570394964 /nfs/dbraw/zinc/39/49/64/570394964.db2.gz IPLPFVKCWNFGJY-QHCPKHFHSA-N -1 0 391.423 3.705 50 0 GHAARM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000005099576 570416350 /nfs/dbraw/zinc/41/63/50/570416350.db2.gz XCRXLQPBODHCKG-UHFFFAOYSA-N -1 0 390.892 3.830 50 0 GHAARM CO[C@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000400223768 570419159 /nfs/dbraw/zinc/41/91/59/570419159.db2.gz ORNJJNYXYQHEIC-NHCUHLMSSA-N -1 0 395.455 3.793 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000238018470 570420190 /nfs/dbraw/zinc/42/01/90/570420190.db2.gz OQFQGBBGNYDUBX-SNVBAGLBSA-N -1 0 397.244 3.787 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)s1 ZINC000001772137 570422846 /nfs/dbraw/zinc/42/28/46/570422846.db2.gz XYZDCNNTEYNHQM-UHFFFAOYSA-N -1 0 399.906 3.911 50 0 GHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCCCC(=O)[O-])o1 ZINC000237806783 570425328 /nfs/dbraw/zinc/42/53/28/570425328.db2.gz XPYHFGJQGDEZIG-UHFFFAOYSA-N -1 0 381.432 3.816 50 0 GHAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2sc3ccccc3c2Cl)C1=O ZINC000013100248 570454123 /nfs/dbraw/zinc/45/41/23/570454123.db2.gz NYNUNUMBWSZEIB-LJQANCHMSA-N -1 0 399.859 3.667 50 0 GHAARM Cc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000268944088 570489116 /nfs/dbraw/zinc/48/91/16/570489116.db2.gz UXDZDMCPEHANFX-HUUCEWRRSA-N -1 0 397.349 3.947 50 0 GHAARM Cc1ccccc1OCC1N=NC(=S)N1c1cnn(Cc2ccccc2)c1 ZINC000002808372 570519619 /nfs/dbraw/zinc/51/96/19/570519619.db2.gz WHJOZEMETXZQAZ-UHFFFAOYSA-N -1 0 377.473 3.688 50 0 GHAARM CSCC[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000005304691 570550562 /nfs/dbraw/zinc/55/05/62/570550562.db2.gz CJUDZLYETVVJRZ-HNNXBMFYSA-N -1 0 385.445 3.823 50 0 GHAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(C)=O)cc3)c(C)s2)no1 ZINC000064844612 570564805 /nfs/dbraw/zinc/56/48/05/570564805.db2.gz XSLYWQHCNQLFMP-UHFFFAOYSA-N -1 0 391.474 3.672 50 0 GHAARM O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCCC1)cn2Cc1ccccc1 ZINC000036366404 570645499 /nfs/dbraw/zinc/64/54/99/570645499.db2.gz RDAZLQNTOPAOCO-FQEVSTJZSA-N -1 0 378.428 3.609 50 0 GHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000004602530 570659722 /nfs/dbraw/zinc/65/97/22/570659722.db2.gz RUQBAXSNERZBNX-SFHVURJKSA-N -1 0 394.427 3.995 50 0 GHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000006906346 570698034 /nfs/dbraw/zinc/69/80/34/570698034.db2.gz SOQXXBDOCFIVEY-UHFFFAOYSA-N -1 0 379.478 3.811 50 0 GHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC000065112608 570702197 /nfs/dbraw/zinc/70/21/97/570702197.db2.gz JFWDLTGMIPPDCQ-UHFFFAOYSA-N -1 0 395.481 3.970 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)o1 ZINC000065194060 570725804 /nfs/dbraw/zinc/72/58/04/570725804.db2.gz JVFYXUMDEOFNHE-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM O=C([O-])Cc1csc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)n1 ZINC000012920780 570728651 /nfs/dbraw/zinc/72/86/51/570728651.db2.gz LDJAMDNUNRPDTF-MRXNPFEDSA-N -1 0 376.503 3.616 50 0 GHAARM COCCn1ccc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3F)ccc21 ZINC000058441006 570733978 /nfs/dbraw/zinc/73/39/78/570733978.db2.gz QQVIJTCOTDBCSK-UHFFFAOYSA-N -1 0 382.844 3.881 50 0 GHAARM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000084086501 570742174 /nfs/dbraw/zinc/74/21/74/570742174.db2.gz NJFOHKLWKFGINY-UHFFFAOYSA-N -1 0 390.280 3.626 50 0 GHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000013042042 570743781 /nfs/dbraw/zinc/74/37/81/570743781.db2.gz KDRDERQXUCPCQI-UHFFFAOYSA-N -1 0 389.395 3.840 50 0 GHAARM O=C([O-])c1cc2ccccc2cc1OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000013050422 570744064 /nfs/dbraw/zinc/74/40/64/570744064.db2.gz KHOREIKJFMVUPX-SFHVURJKSA-N -1 0 377.396 3.557 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1 ZINC000065246453 570747750 /nfs/dbraw/zinc/74/77/50/570747750.db2.gz OXUFQNUNBXEOHH-UHFFFAOYSA-N -1 0 389.433 3.797 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013251068 570751606 /nfs/dbraw/zinc/75/16/06/570751606.db2.gz INYADMCTKTZUPC-FQEVSTJZSA-N -1 0 389.473 3.913 50 0 GHAARM O=C(Nc1nccs1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000018029229 570795373 /nfs/dbraw/zinc/79/53/73/570795373.db2.gz LXGOMRVNIRYUCR-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1 ZINC000032778596 570811220 /nfs/dbraw/zinc/81/12/20/570811220.db2.gz NGZVZBATOGJRFG-UHFFFAOYSA-N -1 0 380.473 3.900 50 0 GHAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000033114650 570812798 /nfs/dbraw/zinc/81/27/98/570812798.db2.gz WUNPXYSLXAANRA-SJORKVTESA-N -1 0 384.823 3.545 50 0 GHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000237270148 570816214 /nfs/dbraw/zinc/81/62/14/570816214.db2.gz FFBUBGSHRWGVCI-UHFFFAOYSA-N -1 0 387.863 3.745 50 0 GHAARM Cc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1C ZINC000065489203 570824536 /nfs/dbraw/zinc/82/45/36/570824536.db2.gz DTRPJNDQNLBZOF-GOSISDBHSA-N -1 0 379.485 3.806 50 0 GHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000012521124 570828011 /nfs/dbraw/zinc/82/80/11/570828011.db2.gz ZBYSGMDQBVXXAN-UHFFFAOYSA-N -1 0 398.872 3.560 50 0 GHAARM C[C@H](NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O)c1ccccc1 ZINC000101723466 570830239 /nfs/dbraw/zinc/83/02/39/570830239.db2.gz IXGDQLFIFYYSOV-HNNXBMFYSA-N -1 0 385.423 3.582 50 0 GHAARM C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000042046475 570833602 /nfs/dbraw/zinc/83/36/02/570833602.db2.gz TZIUUUKQLBUQNI-PWSUYJOCSA-N -1 0 382.844 3.874 50 0 GHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)c1 ZINC000101835556 570836718 /nfs/dbraw/zinc/83/67/18/570836718.db2.gz RUPZVPCXCALFQS-LJQANCHMSA-N -1 0 388.427 3.736 50 0 GHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1 ZINC000101836829 570837150 /nfs/dbraw/zinc/83/71/50/570837150.db2.gz VZHMZRQXRLTOMB-LJQANCHMSA-N -1 0 388.427 3.681 50 0 GHAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1cccc(Br)c1 ZINC000012548557 570850691 /nfs/dbraw/zinc/85/06/91/570850691.db2.gz SCUCRESFBPCXTO-UHFFFAOYSA-N -1 0 390.262 3.707 50 0 GHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(Cl)ccc1F ZINC000032850874 570853942 /nfs/dbraw/zinc/85/39/42/570853942.db2.gz MJWNOMBOQVPXOH-UHFFFAOYSA-N -1 0 391.805 3.977 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000003308027 570854509 /nfs/dbraw/zinc/85/45/09/570854509.db2.gz ISKZGTXVDQEWJU-WMZOPIPTSA-N -1 0 391.514 3.767 50 0 GHAARM C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000042046480 570885405 /nfs/dbraw/zinc/88/54/05/570885405.db2.gz TZIUUUKQLBUQNI-ZYHUDNBSSA-N -1 0 382.844 3.874 50 0 GHAARM N=C1S/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000104978760 570910779 /nfs/dbraw/zinc/91/07/79/570910779.db2.gz ZFPZIBQQRMRFON-VPDARHJXSA-N -1 0 388.832 3.859 50 0 GHAARM O=c1nc(SCc2nc(-c3cccc(Cl)c3)no2)[n-]c2ccsc21 ZINC000016842916 570913394 /nfs/dbraw/zinc/91/33/94/570913394.db2.gz MJFUJABXRIZUOM-UHFFFAOYSA-N -1 0 376.850 3.980 50 0 GHAARM CCc1nc2sc([C@@H](c3ccco3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000004585116 570918577 /nfs/dbraw/zinc/91/85/77/570918577.db2.gz GQBZUBNNONTGDU-QGZVFWFLSA-N -1 0 380.473 3.800 50 0 GHAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc3c2C)c1C ZINC000002107396 570948606 /nfs/dbraw/zinc/94/86/06/570948606.db2.gz XZRQZLKAVGFLQP-SFHVURJKSA-N -1 0 399.443 3.541 50 0 biogenic GHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)cc(OC)c1 ZINC000033290239 570961158 /nfs/dbraw/zinc/96/11/58/570961158.db2.gz AIWWYYKOFNDJPQ-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000007612585 571001589 /nfs/dbraw/zinc/00/15/89/571001589.db2.gz IPYUJFLGOKSGGS-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM COc1ccc(-n2cc([O-])c(C(=O)N3CCC(c4ccccc4)CC3)n2)cc1 ZINC000177020670 835468580 /nfs/dbraw/zinc/46/85/80/835468580.db2.gz IZXGOKCDXHRUTH-UHFFFAOYSA-N -1 0 377.444 3.606 50 0 GHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000066578759 836330761 /nfs/dbraw/zinc/33/07/61/836330761.db2.gz QDNLSGSMHCNRMU-BQYQJAHWSA-N -1 0 396.262 3.868 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000004867269 842766750 /nfs/dbraw/zinc/76/67/50/842766750.db2.gz GKZZKQTUOUONSG-UHFFFAOYSA-N -1 0 384.457 3.689 50 0 GHAARM Cc1ccccc1Cn1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000002777972 861607828 /nfs/dbraw/zinc/60/78/28/861607828.db2.gz DOAHBMACKZNMNZ-UHFFFAOYSA-N -1 0 378.457 3.589 50 0 GHAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003028987 862123905 /nfs/dbraw/zinc/12/39/05/862123905.db2.gz CUDCGKGTLQSQPS-UHFFFAOYSA-N -1 0 381.837 3.610 50 0 GHAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000008132994 856001100 /nfs/dbraw/zinc/00/11/00/856001100.db2.gz WHWUFVBPQKRUQD-HNNXBMFYSA-N -1 0 388.272 3.796 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1OC ZINC000009686625 857305282 /nfs/dbraw/zinc/30/52/82/857305282.db2.gz KGUZMHQILPCDRE-UHFFFAOYSA-N -1 0 393.490 3.573 50 0 GHAARM Cc1cccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348727 859889806 /nfs/dbraw/zinc/88/98/06/859889806.db2.gz IGTPXDKFHZQSOZ-UHFFFAOYSA-N -1 0 376.463 3.620 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000005898105 916044799 /nfs/dbraw/zinc/04/47/99/916044799.db2.gz LSKWJMHYHTWAQI-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM COc1cc(C(=O)[O-])cc(I)c1OCc1ccc(C)cc1 ZINC000408551073 231057566 /nfs/dbraw/zinc/05/75/66/231057566.db2.gz ATPXLRNHLMLYEF-UHFFFAOYSA-N -1 0 398.196 3.885 50 0 GHAARM Cc1ccccc1C(=O)Nc1ccc(-c2nnc(S[C@H](C)C(=O)[O-])n2C)cc1 ZINC000000713406 206318838 /nfs/dbraw/zinc/31/88/38/206318838.db2.gz YMFZHHDVDGPLCK-CYBMUJFWSA-N -1 0 396.472 3.608 50 0 GHAARM CCOC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1N1CCCCC1 ZINC000001030591 206343142 /nfs/dbraw/zinc/34/31/42/206343142.db2.gz GJHWCVYDXZKZSF-UHFFFAOYSA-N -1 0 390.480 3.683 50 0 GHAARM CN(C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000001051308 206346196 /nfs/dbraw/zinc/34/61/96/206346196.db2.gz QFWFOAATDWZGLO-OALUTQOASA-N -1 0 378.428 3.569 50 0 GHAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000001111229 206353882 /nfs/dbraw/zinc/35/38/82/206353882.db2.gz CDMLROVHLWDKNA-UHFFFAOYSA-N -1 0 382.441 3.748 50 0 GHAARM COc1ccccc1CC(=O)Nc1ccc(C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000001124805 206355620 /nfs/dbraw/zinc/35/56/20/206355620.db2.gz BIMJDITVXJBYKG-UHFFFAOYSA-N -1 0 389.407 3.806 50 0 GHAARM CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000001126399 206355970 /nfs/dbraw/zinc/35/59/70/206355970.db2.gz CBWHMVQVLIPKJB-UHFFFAOYSA-N -1 0 392.864 3.952 50 0 GHAARM O=C([O-])CCCCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002078986 206397927 /nfs/dbraw/zinc/39/79/27/206397927.db2.gz WGNSQWMLUYLLCO-LIKPIUCQSA-N -1 0 389.451 3.524 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2[n-]c1=S ZINC000010490356 206813649 /nfs/dbraw/zinc/81/36/49/206813649.db2.gz IHIFNEJFYAQXMA-UHFFFAOYSA-N -1 0 377.828 3.750 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2)C[C@H]1C(=O)[O-] ZINC000014632499 207025027 /nfs/dbraw/zinc/02/50/27/207025027.db2.gz PBYOZHFYGUBOSZ-STQMWFEESA-N -1 0 375.343 3.547 50 0 GHAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000014906590 207031354 /nfs/dbraw/zinc/03/13/54/207031354.db2.gz UKMCQLPGIWHXRR-UHFFFAOYSA-N -1 0 387.486 3.759 50 0 GHAARM CCc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000015781940 207060907 /nfs/dbraw/zinc/06/09/07/207060907.db2.gz FPFVWMALGZFWKL-GOSISDBHSA-N -1 0 398.459 3.872 50 0 GHAARM O=c1[n-]c(=S)n(-c2ccccc2Cl)c2c1CN(CCc1ccccc1)CN2 ZINC000019939116 207171943 /nfs/dbraw/zinc/17/19/43/207171943.db2.gz DNOFNMDELSRKQY-UHFFFAOYSA-N -1 0 398.919 3.976 50 0 GHAARM CCCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000025615962 207304588 /nfs/dbraw/zinc/30/45/88/207304588.db2.gz DKFYDRYZNBZUJW-UHFFFAOYSA-N -1 0 378.469 3.807 50 0 GHAARM O=C(NCCCc1ccccc1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000035528142 207494925 /nfs/dbraw/zinc/49/49/25/207494925.db2.gz QQGWMBYJUCMKIW-UHFFFAOYSA-N -1 0 382.485 3.537 50 0 GHAARM Cc1noc(C)c1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C(=O)[O-])cc1 ZINC000079481624 208075822 /nfs/dbraw/zinc/07/58/22/208075822.db2.gz FBFXIHUSUZITOH-KRWDZBQOSA-N -1 0 398.444 3.908 50 0 GHAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000091585871 208126213 /nfs/dbraw/zinc/12/62/13/208126213.db2.gz KXZMFAFYCCTQBR-GOSISDBHSA-N -1 0 375.428 3.517 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cnc1Cl ZINC000095455178 208186072 /nfs/dbraw/zinc/18/60/72/208186072.db2.gz OKUGWERFOPFZFK-UHFFFAOYSA-N -1 0 379.913 3.816 50 0 GHAARM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2n[nH]c(C3CC3)c2Cl)cc1 ZINC000095463954 208188145 /nfs/dbraw/zinc/18/81/45/208188145.db2.gz BOIBVTFLVKNVKA-GFCCVEGCSA-N -1 0 379.869 3.608 50 0 GHAARM COc1ccccc1S(=O)(=O)[N-]c1c(C)c(C2CC2)nn1-c1ccccc1 ZINC000095958333 208244061 /nfs/dbraw/zinc/24/40/61/208244061.db2.gz DESUXGIYSGHEND-UHFFFAOYSA-N -1 0 383.473 3.868 50 0 GHAARM O=C([O-])[C@@]1(NC(=O)c2csc(-c3cccs3)n2)CCCc2ccccc21 ZINC000095512446 208213132 /nfs/dbraw/zinc/21/31/32/208213132.db2.gz CZPNXIXVVHATIP-LJQANCHMSA-N -1 0 384.482 3.918 50 0 GHAARM O=C([O-])Cn1ccc2cc(NC(=O)Cc3coc(-c4cccs4)n3)ccc21 ZINC000095970563 208248122 /nfs/dbraw/zinc/24/81/22/208248122.db2.gz YEPXZMRTIMRHSC-UHFFFAOYSA-N -1 0 381.413 3.624 50 0 GHAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cn(Cc2cccc(F)c2)nn1 ZINC000095981482 208248176 /nfs/dbraw/zinc/24/81/76/208248176.db2.gz IWAUMLAHBWUKPN-UHFFFAOYSA-N -1 0 381.194 3.730 50 0 GHAARM Cc1cccc(Cc2c(C)nc3[n-]c(SCc4ccccc4)nn3c2=O)c1 ZINC000100133726 208372176 /nfs/dbraw/zinc/37/21/76/208372176.db2.gz RBLOMSMGAUQUSL-UHFFFAOYSA-N -1 0 376.485 3.918 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1C ZINC000101298445 208389713 /nfs/dbraw/zinc/38/97/13/208389713.db2.gz FFONJPOJVDXIAQ-LJQANCHMSA-N -1 0 388.427 3.736 50 0 GHAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000101298318 208390821 /nfs/dbraw/zinc/39/08/21/208390821.db2.gz SPINRZMXFNVZDB-LJQANCHMSA-N -1 0 388.427 3.736 50 0 GHAARM CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000236860553 208395596 /nfs/dbraw/zinc/39/55/96/208395596.db2.gz RRJRXFMDJCMAAI-AWEZNQCLSA-N -1 0 388.489 3.926 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136489219 208479447 /nfs/dbraw/zinc/47/94/47/208479447.db2.gz VZZZPPVFPIVLPC-AWEZNQCLSA-N -1 0 394.880 3.763 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000238065524 208470538 /nfs/dbraw/zinc/47/05/38/208470538.db2.gz VFVLPWUOCKBMEW-DLBZAZTESA-N -1 0 385.410 3.713 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccccc1Cl ZINC000006316380 220928475 /nfs/dbraw/zinc/92/84/75/220928475.db2.gz JOUCZTPXNWOLAO-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM O=C([O-])[C@]1(CCOc2ccccc2)CCCN(c2cnc3ccccc3n2)C1 ZINC000071730278 136165739 /nfs/dbraw/zinc/16/57/39/136165739.db2.gz ZRKRLMQPLRLDFU-QFIPXVFZSA-N -1 0 377.444 3.770 50 0 GHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)c(N2CCCCC2=O)c1 ZINC000005330108 136194752 /nfs/dbraw/zinc/19/47/52/136194752.db2.gz WHBMRADUTBNCKC-UHFFFAOYSA-N -1 0 388.489 3.630 50 0 GHAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885044 136195370 /nfs/dbraw/zinc/19/53/70/136195370.db2.gz GUDPDYAEGZROAD-FQEVSTJZSA-N -1 0 388.379 3.885 50 0 GHAARM O=C(NCCCn1ccc2ccccc21)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047932623 570216249 /nfs/dbraw/zinc/21/62/49/570216249.db2.gz XMYXLKOTNGEDAV-UHFFFAOYSA-N -1 0 378.457 3.773 50 0 GHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000049549143 570269463 /nfs/dbraw/zinc/26/94/63/570269463.db2.gz PGJORMIZYMVDME-UHFFFAOYSA-N -1 0 376.453 3.878 50 0 GHAARM Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000627409 570278002 /nfs/dbraw/zinc/27/80/02/570278002.db2.gz VBVBDSPNHUJNFQ-ROUUACIJSA-N -1 0 392.455 3.531 50 0 GHAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002763497 570299501 /nfs/dbraw/zinc/29/95/01/570299501.db2.gz USIUGWOPSFXAQY-DLBZAZTESA-N -1 0 387.867 3.807 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Br ZINC000024839429 570312841 /nfs/dbraw/zinc/31/28/41/570312841.db2.gz IRHXZHLYWGIOMF-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000035325497 570339899 /nfs/dbraw/zinc/33/98/99/570339899.db2.gz FVIMGGXCGKFOQR-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM O=c1nc(CCn2nccn2)[n-]c2cc(-c3ccc(Cl)cc3Cl)sc21 ZINC000063925853 570347433 /nfs/dbraw/zinc/34/74/33/570347433.db2.gz XSNUYDBCEMBMLV-UHFFFAOYSA-N -1 0 392.271 3.793 50 0 GHAARM CC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000033007591 570399191 /nfs/dbraw/zinc/39/91/91/570399191.db2.gz ZAKYOHCBWHBFCD-UHFFFAOYSA-N -1 0 387.895 3.770 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccc(Br)c1)CC3 ZINC000033631217 570411165 /nfs/dbraw/zinc/41/11/65/570411165.db2.gz IKVVUSDKFUVXOI-WQLSENKSSA-N -1 0 397.228 3.802 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000237974551 570418018 /nfs/dbraw/zinc/41/80/18/570418018.db2.gz HUTCGSSQERFUGN-ZDUSSCGKSA-N -1 0 376.453 3.590 50 0 GHAARM COc1ccc(/C(=C\C(=O)[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000033775969 570528701 /nfs/dbraw/zinc/52/87/01/570528701.db2.gz LZVIVIHUEWKDLV-FOWTUZBSSA-N -1 0 395.411 3.786 50 0 GHAARM O=C(c1ccco1)N(C1=C([O-])N(c2ccc(F)cc2)C(=O)C1)c1ccc(F)cc1 ZINC000000956454 570534361 /nfs/dbraw/zinc/53/43/61/570534361.db2.gz BYPCBQHWAWOZMR-QGZVFWFLSA-N -1 0 396.349 3.537 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCCCCC1 ZINC000032962104 570542327 /nfs/dbraw/zinc/54/23/27/570542327.db2.gz FTQYWKPOVLHXFW-UHFFFAOYSA-N -1 0 392.452 3.705 50 0 GHAARM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000032971111 570555385 /nfs/dbraw/zinc/55/53/85/570555385.db2.gz OERRMKMTDDKMPK-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005529852 570626849 /nfs/dbraw/zinc/62/68/49/570626849.db2.gz MJDYUFYIOGAURV-PXUYXRTLSA-N -1 0 385.504 3.771 50 0 biogenic GHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000004601163 570652196 /nfs/dbraw/zinc/65/21/96/570652196.db2.gz GQSFVVOQEBPUEG-AWEZNQCLSA-N -1 0 398.242 3.956 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)s3)no2)cc1OC ZINC000065153448 570716625 /nfs/dbraw/zinc/71/66/25/570716625.db2.gz XIVJUJQCOWGZBP-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM Cc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)n2C)o1 ZINC000065186490 570724708 /nfs/dbraw/zinc/72/47/08/570724708.db2.gz PAQCJYIKNREYGY-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM O=S(=O)([N-]Cc1ccnc(Oc2ccc(F)cc2)c1)c1c(F)cccc1F ZINC000058378268 570730131 /nfs/dbraw/zinc/73/01/31/570730131.db2.gz LBGBUTWCWWEUCY-UHFFFAOYSA-N -1 0 394.374 3.770 50 0 GHAARM O=S(=O)([N-]c1cccn2c1nnc2C1CCC1)c1ccc2c(c1)CCCC2 ZINC000065228816 570739742 /nfs/dbraw/zinc/73/97/42/570739742.db2.gz SFZUZZRVPGAPTD-UHFFFAOYSA-N -1 0 382.489 3.676 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(C)c(C)c2)c3[O-])c1 ZINC000065250025 570749013 /nfs/dbraw/zinc/74/90/13/570749013.db2.gz ARNNUHPRKCJGDH-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM CC(C)c1ccc2cc(C(=O)N3CCC(c4cc(CC(=O)[O-])n[nH]4)CC3)[nH]c2c1 ZINC000067855653 570794640 /nfs/dbraw/zinc/79/46/40/570794640.db2.gz MXYCYJSKTVFITC-UHFFFAOYSA-N -1 0 394.475 3.661 50 0 GHAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(Cl)cc2)S1 ZINC000004472709 570798592 /nfs/dbraw/zinc/79/85/92/570798592.db2.gz PCYMBWIMOZWEHC-MRXNPFEDSA-N -1 0 388.876 3.989 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)[n-]c2=O)cc1 ZINC000032778601 570811662 /nfs/dbraw/zinc/81/16/62/570811662.db2.gz QKPZOALCGIPTFO-UHFFFAOYSA-N -1 0 388.399 3.562 50 0 GHAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(COc2ccc(Cl)cc2)s1 ZINC000006024068 570814872 /nfs/dbraw/zinc/81/48/72/570814872.db2.gz NOHIETOKWPCHRV-UHFFFAOYSA-N -1 0 395.893 3.712 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)NC(C)C ZINC000101505563 570825945 /nfs/dbraw/zinc/82/59/45/570825945.db2.gz VOZGBAUIOADSIM-UHFFFAOYSA-N -1 0 390.896 3.730 50 0 GHAARM Cc1ccc(Cl)cc1NCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101802764 570835118 /nfs/dbraw/zinc/83/51/18/570835118.db2.gz MGMFEDYODOUQEA-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM CSc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000102675900 570856044 /nfs/dbraw/zinc/85/60/44/570856044.db2.gz RQUZWDNVFCXNQW-GFCCVEGCSA-N -1 0 388.514 3.606 50 0 GHAARM CCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000033254050 570861979 /nfs/dbraw/zinc/86/19/79/570861979.db2.gz TWLTYFNGXJFCEO-UHFFFAOYSA-N -1 0 390.505 3.957 50 0 GHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1Cl ZINC000102818518 570865363 /nfs/dbraw/zinc/86/53/63/570865363.db2.gz NSTJIJWDJGNOQC-ZWKOTPCHSA-N -1 0 380.835 3.635 50 0 GHAARM CN(C)C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1Cl ZINC000071825418 570894381 /nfs/dbraw/zinc/89/43/81/570894381.db2.gz PWRHDLQYXPTRMS-UHFFFAOYSA-N -1 0 380.872 3.796 50 0 GHAARM COC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000004735736 570949820 /nfs/dbraw/zinc/94/98/20/570949820.db2.gz LCXUDIMBMARWTN-UHFFFAOYSA-N -1 0 396.424 3.877 50 0 GHAARM C[C@@H]1CCc2c(sc3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c32)C1 ZINC000004812098 570998973 /nfs/dbraw/zinc/99/89/73/570998973.db2.gz ZUAXFHMGDKFBFA-LLVKDONJSA-N -1 0 386.498 3.749 50 0 GHAARM CC(C)Oc1ncc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000170672030 571007971 /nfs/dbraw/zinc/00/79/71/571007971.db2.gz CSSICEXIKAQOOO-LRDDRELGSA-N -1 0 376.840 3.714 50 0 GHAARM Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccn3)c2)cc1 ZINC000003832700 838443128 /nfs/dbraw/zinc/44/31/28/838443128.db2.gz YASSNNSHGATMSF-UHFFFAOYSA-N -1 0 381.457 3.752 50 0 GHAARM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055642251 861278732 /nfs/dbraw/zinc/27/87/32/861278732.db2.gz STYGTOVDERTOJI-UHFFFAOYSA-N -1 0 398.406 3.577 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000299747721 861289738 /nfs/dbraw/zinc/28/97/38/861289738.db2.gz DVBWGXHAKKHCMD-PVAVHDDUSA-N -1 0 386.423 3.658 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000002662248 861493568 /nfs/dbraw/zinc/49/35/68/861493568.db2.gz JMYTUCIJNDQZIK-UHFFFAOYSA-N -1 0 398.278 3.851 50 0 GHAARM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccccc2)[nH]c3=O)cc1 ZINC000002717916 861529965 /nfs/dbraw/zinc/52/99/65/861529965.db2.gz LQOIBZBQGINDDU-UHFFFAOYSA-N -1 0 391.456 3.560 50 0 GHAARM O=S(=O)([N-]c1ccn(Cc2ccc(F)cc2Cl)n1)c1ccc(F)cc1 ZINC000002804306 861643141 /nfs/dbraw/zinc/64/31/41/861643141.db2.gz JUNXYBZYOLFGRS-UHFFFAOYSA-N -1 0 383.807 3.664 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 ZINC000003308028 862328694 /nfs/dbraw/zinc/32/86/94/862328694.db2.gz ISKZGTXVDQEWJU-AEFFLSMTSA-N -1 0 391.514 3.767 50 0 GHAARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000002286178 854907408 /nfs/dbraw/zinc/90/74/08/854907408.db2.gz SXEXNMFVNCOQGD-UHFFFAOYSA-N -1 0 394.880 3.587 50 0 GHAARM C[C@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)[O-] ZINC000008569831 856265232 /nfs/dbraw/zinc/26/52/32/856265232.db2.gz VJDJUEYXSZXYNP-JTQLQIEISA-N -1 0 386.362 3.522 50 0 GHAARM C[C@H](Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)C(=O)[O-] ZINC000008569829 856265727 /nfs/dbraw/zinc/26/57/27/856265727.db2.gz PQPLYJJQLYDEGS-JTQLQIEISA-N -1 0 386.362 3.522 50 0 GHAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccc(F)c2F)cc1 ZINC000040288111 856725895 /nfs/dbraw/zinc/72/58/95/856725895.db2.gz CVASUAOHIAUWID-GOSISDBHSA-N -1 0 398.369 3.566 50 0 GHAARM Cn1ncc(C2CCC2)c1C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621542732 884813293 /nfs/dbraw/zinc/81/32/93/884813293.db2.gz MVKWNTGNRPPMFP-LJQANCHMSA-N -1 0 395.503 3.798 50 0 GHAARM O=C([O-])[C@@H](Cc1nccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044320620 899416532 /nfs/dbraw/zinc/41/65/32/899416532.db2.gz HBHYBVLFMJXMIX-GOSISDBHSA-N -1 0 394.452 3.678 50 0 GHAARM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)s1 ZINC000630245602 902938436 /nfs/dbraw/zinc/93/84/36/902938436.db2.gz LIVNZQQNMKUYIJ-VXGBXAGGSA-N -1 0 390.427 3.916 50 0 GHAARM Cc1noc2nc(-c3ccccc3)cc(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c12 ZINC000952962754 904641416 /nfs/dbraw/zinc/64/14/16/904641416.db2.gz KIEZSISOONYYSO-KOMQPUFPSA-N -1 0 393.443 3.819 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(OC(F)F)cc1)CC3 ZINC000033871303 230921081 /nfs/dbraw/zinc/92/10/81/230921081.db2.gz BMWDXHGSVUDDRM-XFXZXTDPSA-N -1 0 384.338 3.640 50 0 GHAARM O=C([O-])[C@@]12CN(C(=O)CCc3ccncc3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426486018 231227145 /nfs/dbraw/zinc/22/71/45/231227145.db2.gz TXBVUOXQVGFHCF-JTAQYXEDSA-N -1 0 378.472 3.511 50 0 GHAARM CC(=O)Nc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759339 206301775 /nfs/dbraw/zinc/30/17/75/206301775.db2.gz FTWGRYAVWOINDP-OVCLIPMQSA-N -1 0 383.791 3.729 50 0 GHAARM C[C@@H]1CC(=O)NC(=O)N1c1cc(Br)c([O-])c(Br)c1 ZINC000000625451 206309341 /nfs/dbraw/zinc/30/93/41/206309341.db2.gz JZHMGCWVZTYJOE-RXMQYKEDSA-N -1 0 378.020 3.592 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)cc1Cl ZINC000000644517 206312122 /nfs/dbraw/zinc/31/21/22/206312122.db2.gz MGTGIFJOEISJCJ-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(C)cc1)C[C@@H](C)CC2 ZINC000000671073 206314250 /nfs/dbraw/zinc/31/42/50/206314250.db2.gz ICYLYWQHTRKZIC-LBPRGKRZSA-N -1 0 379.503 3.769 50 0 GHAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000000722396 206318883 /nfs/dbraw/zinc/31/88/83/206318883.db2.gz QFUMXDLOSJBVFR-UHFFFAOYSA-N -1 0 386.473 3.991 50 0 GHAARM O=C([O-])c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000000827044 206324900 /nfs/dbraw/zinc/32/49/00/206324900.db2.gz GIUQAIBXNDGIHR-UHFFFAOYSA-N -1 0 392.156 3.937 50 0 GHAARM O=C([O-])c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F ZINC000000845227 206326808 /nfs/dbraw/zinc/32/68/08/206326808.db2.gz XUCGQIJNYLFDEB-UHFFFAOYSA-N -1 0 386.127 3.876 50 0 GHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C ZINC000000917330 206333368 /nfs/dbraw/zinc/33/33/68/206333368.db2.gz UKLUCDQNNXQNAF-UHFFFAOYSA-N -1 0 387.486 3.813 50 0 GHAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2Cl)C1 ZINC000001077167 206349263 /nfs/dbraw/zinc/34/92/63/206349263.db2.gz BQVQWRZBZUOBCG-QGZVFWFLSA-N -1 0 386.835 3.891 50 0 GHAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001158178 206361041 /nfs/dbraw/zinc/36/10/41/206361041.db2.gz RTSSBLGFWXGCSY-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM COCCCN1C(=S)N=NC1c1ccc(COc2ccc(C(=O)[O-])cc2)cc1 ZINC000002809149 206438338 /nfs/dbraw/zinc/43/83/38/206438338.db2.gz PRIATIOALCAENS-UHFFFAOYSA-N -1 0 399.472 3.548 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)c(C)c1 ZINC000002641998 206425454 /nfs/dbraw/zinc/42/54/54/206425454.db2.gz OSGGDKLZLANPQZ-INIZCTEOSA-N -1 0 381.881 3.760 50 0 GHAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000003266106 206464847 /nfs/dbraw/zinc/46/48/47/206464847.db2.gz NOOHVTMKDANSCX-MRXNPFEDSA-N -1 0 397.880 3.910 50 0 GHAARM CCOCCC1C(=O)N=C(SC(c2ccccc2)c2ccccc2)N=C1[O-] ZINC000013957196 207006892 /nfs/dbraw/zinc/00/68/92/207006892.db2.gz KKBNAJQSJXILSU-UHFFFAOYSA-N -1 0 382.485 3.936 50 0 GHAARM O=S(=O)([N-]c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(F)cc1F ZINC000014222101 207016642 /nfs/dbraw/zinc/01/66/42/207016642.db2.gz ICVZRXODGBVQNB-UHFFFAOYSA-N -1 0 383.807 3.664 50 0 GHAARM CCCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)nc1C ZINC000015671491 207054212 /nfs/dbraw/zinc/05/42/12/207054212.db2.gz QSSYVDMZAOSFFV-UHFFFAOYSA-N -1 0 384.505 3.772 50 0 GHAARM CSc1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016259718 207074979 /nfs/dbraw/zinc/07/49/79/207074979.db2.gz MZRZOITUIQOQKI-UHFFFAOYSA-N -1 0 385.464 3.906 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017080422 207084262 /nfs/dbraw/zinc/08/42/62/207084262.db2.gz NERKGFWGMFPGOH-VHMBPLKRSA-N -1 0 393.505 3.871 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000019079811 207101259 /nfs/dbraw/zinc/10/12/59/207101259.db2.gz NACFOCHUCHINRD-UHFFFAOYSA-N -1 0 399.501 3.603 50 0 GHAARM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000020715997 207210819 /nfs/dbraw/zinc/21/08/19/207210819.db2.gz MXFKKMXYRDBUCK-MGPUTAFESA-N -1 0 378.428 3.757 50 0 GHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)on1 ZINC000021540637 207232485 /nfs/dbraw/zinc/23/24/85/207232485.db2.gz RGQXCKKOFDYKPQ-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000025044186 207299546 /nfs/dbraw/zinc/29/95/46/207299546.db2.gz FMRWNJNYOHLLNZ-UHFFFAOYSA-N -1 0 377.359 3.560 50 0 GHAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccccc1 ZINC000036569296 207529844 /nfs/dbraw/zinc/52/98/44/207529844.db2.gz MLTWNDIUYICJLA-KRWDZBQOSA-N -1 0 386.860 3.948 50 0 GHAARM COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)c1 ZINC000040268095 207591681 /nfs/dbraw/zinc/59/16/81/207591681.db2.gz IXJVJGATSMAYFZ-HNNXBMFYSA-N -1 0 393.399 3.711 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1O ZINC000049548936 207710652 /nfs/dbraw/zinc/71/06/52/207710652.db2.gz MLSOWHZBEYOQLO-CQSZACIVSA-N -1 0 396.374 3.503 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000058167784 207764100 /nfs/dbraw/zinc/76/41/00/207764100.db2.gz JIZMXTWBCYYWJQ-RRFJBIMHSA-N -1 0 379.840 3.503 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2cccc(Cl)c2)c3[O-])cc1 ZINC000065249988 207852241 /nfs/dbraw/zinc/85/22/41/207852241.db2.gz AWMFNYFNMOVLPS-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1C ZINC000085597890 208100191 /nfs/dbraw/zinc/10/01/91/208100191.db2.gz NBGRADDQXODVAN-UHFFFAOYSA-N -1 0 390.383 3.628 50 0 GHAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3cccc(OC4CCCC4)c3)cn2)c1 ZINC000089701868 208107435 /nfs/dbraw/zinc/10/74/35/208107435.db2.gz XZEYSOVEUAKQEL-UHFFFAOYSA-N -1 0 398.488 3.698 50 0 GHAARM Cc1oc2c(c1C(=O)N1CCC[C@H](c3ccc(C(=O)[O-])cc3)C1)C(=O)CCC2 ZINC000095354252 208159292 /nfs/dbraw/zinc/15/92/92/208159292.db2.gz UPOIZDLOQVNYBB-INIZCTEOSA-N -1 0 381.428 3.825 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccccc3-n3cccn3)C2)cc1 ZINC000095375592 208170366 /nfs/dbraw/zinc/17/03/66/208170366.db2.gz VUEVRZPEEUDHQQ-SFHVURJKSA-N -1 0 375.428 3.590 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1 ZINC000095383420 208172127 /nfs/dbraw/zinc/17/21/27/208172127.db2.gz MBGGRVDVEDZFFH-GOSISDBHSA-N -1 0 375.428 3.795 50 0 GHAARM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(C)n1Cc1ccco1 ZINC000095393791 208179582 /nfs/dbraw/zinc/17/95/82/208179582.db2.gz LJEZBZFKDWQFQV-UHFFFAOYSA-N -1 0 378.388 3.754 50 0 GHAARM Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000095476151 208192997 /nfs/dbraw/zinc/19/29/97/208192997.db2.gz KSPAORZZYDHFDG-QGZVFWFLSA-N -1 0 380.429 3.698 50 0 GHAARM C[C@@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(=O)[O-])C1CC1 ZINC000095989580 208250301 /nfs/dbraw/zinc/25/03/01/208250301.db2.gz PUTQPRTUSBIWBA-INIZCTEOSA-N -1 0 384.379 3.812 50 0 GHAARM O=C1[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl ZINC000101275587 208389024 /nfs/dbraw/zinc/38/90/24/208389024.db2.gz TYPSJEUQZVJDSR-HIFRSBDPSA-N -1 0 395.629 3.939 50 0 GHAARM Cc1nc2[n-]c(CNc3cccc(Cl)c3)nn2c(=O)c1Cc1ccccc1 ZINC000101802758 208397152 /nfs/dbraw/zinc/39/71/52/208397152.db2.gz QSLKFKLZSISMPQ-UHFFFAOYSA-N -1 0 379.851 3.582 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(OC)c4)c32)cc1 ZINC000049543170 208455561 /nfs/dbraw/zinc/45/55/61/208455561.db2.gz GLBLZQGHYCPISL-QGZVFWFLSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1Br ZINC000000869679 208706653 /nfs/dbraw/zinc/70/66/53/208706653.db2.gz RYGWUGMMUVQNJA-UHFFFAOYSA-N -1 0 386.267 3.576 50 0 GHAARM Cc1[n-]n2c(nc(CSc3nc(C)cc(C)n3)cc2=O)c1-c1ccccc1 ZINC000101417155 208710898 /nfs/dbraw/zinc/71/08/98/208710898.db2.gz RXUNCYDUOLJSAT-UHFFFAOYSA-N -1 0 377.473 3.697 50 0 GHAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000012613395 208773286 /nfs/dbraw/zinc/77/32/86/208773286.db2.gz JFCGISBOSDCLEW-INIZCTEOSA-N -1 0 381.409 3.892 50 0 GHAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)c1 ZINC000225848401 208981097 /nfs/dbraw/zinc/98/10/97/208981097.db2.gz PMKGFSSHMWEECW-IBGZPJMESA-N -1 0 396.443 3.555 50 0 GHAARM Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1C ZINC000004825225 209018295 /nfs/dbraw/zinc/01/82/95/209018295.db2.gz SQLJMTPYUXKEQJ-UHFFFAOYSA-N -1 0 378.222 3.782 50 0 GHAARM [O-]c1c([C@@H](c2cc(F)c(F)c(F)c2)N2CCCCCC2)sc2ncnn12 ZINC000253413874 209038813 /nfs/dbraw/zinc/03/88/13/209038813.db2.gz VXASXDXGUXVIBC-CQSZACIVSA-N -1 0 382.411 3.879 50 0 GHAARM CN(C[C@@H]1COCCO1)c1nc(-c2csc3ccccc23)ccc1C(=O)[O-] ZINC000299782537 209088944 /nfs/dbraw/zinc/08/89/44/209088944.db2.gz VXSRRMIXTGKEEG-CYBMUJFWSA-N -1 0 384.457 3.513 50 0 GHAARM COc1cccc(C[C@]2(C(=O)[O-])CCCN(c3cnc4ccccc4n3)C2)c1 ZINC000071639704 136165776 /nfs/dbraw/zinc/16/57/76/136165776.db2.gz PCPGWSXXUZHHBB-JOCHJYFZSA-N -1 0 377.444 3.552 50 0 GHAARM Cc1ncnc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)c1C ZINC000082087912 136173284 /nfs/dbraw/zinc/17/32/84/136173284.db2.gz YVVXPLOZDUURNV-UHFFFAOYSA-N -1 0 377.444 3.749 50 0 GHAARM CC(C)c1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(F)cc2)s1 ZINC000065184040 222106806 /nfs/dbraw/zinc/10/68/06/222106806.db2.gz OUNHNRKQXDLJBQ-UHFFFAOYSA-N -1 0 382.486 3.978 50 0 GHAARM COC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000003644203 560189186 /nfs/dbraw/zinc/18/91/86/560189186.db2.gz OUJTZYPIHDYQMC-IBGZPJMESA-N -1 0 378.428 3.516 50 0 in-vitro GHAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626195 570223316 /nfs/dbraw/zinc/22/33/16/570223316.db2.gz KKFIOOCFRZAMTO-OAHLLOKOSA-N -1 0 378.448 3.904 50 0 GHAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002486542 570288178 /nfs/dbraw/zinc/28/81/78/570288178.db2.gz DHAOJRGMBAQRMU-NSHDSACASA-N -1 0 381.494 3.879 50 0 GHAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002763498 570299438 /nfs/dbraw/zinc/29/94/38/570299438.db2.gz USIUGWOPSFXAQY-IAGOWNOFSA-N -1 0 387.867 3.807 50 0 GHAARM CCCCOc1cccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)c1 ZINC000034764847 570333034 /nfs/dbraw/zinc/33/30/34/570333034.db2.gz PMFLNICLTDPLIB-UHFFFAOYSA-N -1 0 398.507 3.805 50 0 GHAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000006313322 570375884 /nfs/dbraw/zinc/37/58/84/570375884.db2.gz OYONYGHLEBBLKQ-UHFFFAOYSA-N -1 0 390.205 3.731 50 0 GHAARM Cc1ccccc1C(=O)Nc1ccc(I)c(C(=O)[O-])c1 ZINC000004700974 570394886 /nfs/dbraw/zinc/39/48/86/570394886.db2.gz JRLYBDGLLJAWHT-UHFFFAOYSA-N -1 0 381.169 3.550 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)c1 ZINC000072271996 570437635 /nfs/dbraw/zinc/43/76/35/570437635.db2.gz QTRINNYWKKQRJE-UHFFFAOYSA-N -1 0 392.864 3.949 50 0 GHAARM O=C([O-])CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005428433 570438901 /nfs/dbraw/zinc/43/89/01/570438901.db2.gz RUGHWIRAMBJRFO-UHFFFAOYSA-N -1 0 393.770 3.639 50 0 GHAARM COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000128523557 570461391 /nfs/dbraw/zinc/46/13/91/570461391.db2.gz LDSQLTFVIHBJAJ-CYBMUJFWSA-N -1 0 375.371 3.577 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000268936017 570477711 /nfs/dbraw/zinc/47/77/11/570477711.db2.gz HRMAYYRSPSLKPC-COXVUDFISA-N -1 0 386.423 3.658 50 0 GHAARM CCOc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2)nn1 ZINC000005204310 570506085 /nfs/dbraw/zinc/50/60/85/570506085.db2.gz RDVQWOUUNGLNHI-UHFFFAOYSA-N -1 0 399.472 3.660 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc4ccccc43)c2)cc1 ZINC000002782061 570514146 /nfs/dbraw/zinc/51/41/46/570514146.db2.gz JIDGQWNGCVKHFE-UHFFFAOYSA-N -1 0 393.468 3.894 50 0 GHAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000002365246 570543646 /nfs/dbraw/zinc/54/36/46/570543646.db2.gz QMTAGIJGDQTZIA-UHFFFAOYSA-N -1 0 376.409 3.511 50 0 GHAARM COCc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2Cl)c1C ZINC000225434283 570573685 /nfs/dbraw/zinc/57/36/85/570573685.db2.gz UPHDXTJLHJJQBZ-UHFFFAOYSA-N -1 0 391.880 3.781 50 0 GHAARM Cc1ccc(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2(O)C(F)(F)F)cc1C ZINC000169692585 570622040 /nfs/dbraw/zinc/62/20/40/570622040.db2.gz RVELVPCPWJMFKN-GEWABHDNSA-N -1 0 384.398 3.568 50 0 GHAARM O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCCCC3)cn(Cc3ccccc3)c2c1 ZINC000036367276 570645967 /nfs/dbraw/zinc/64/59/67/570645967.db2.gz HYEJLFUIWCKHTJ-OAQYLSRUSA-N -1 0 392.455 3.999 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000006887704 570682547 /nfs/dbraw/zinc/68/25/47/570682547.db2.gz XDJLNXFAYHJYFU-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)c1 ZINC000065112447 570701878 /nfs/dbraw/zinc/70/18/78/570701878.db2.gz HRWULMDBEJXRAM-UHFFFAOYSA-N -1 0 381.454 3.580 50 0 GHAARM O=C([O-])C1CCN(c2ncccc2-c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000057509158 570702375 /nfs/dbraw/zinc/70/23/75/570702375.db2.gz PLAZEPLTYBSDJR-UHFFFAOYSA-N -1 0 384.823 3.753 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000263114350 570703466 /nfs/dbraw/zinc/70/34/66/570703466.db2.gz QEARDECIJKIMLI-DLBZAZTESA-N -1 0 375.877 3.759 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(CC)c3)c(C)n2C)o1 ZINC000065186516 570724908 /nfs/dbraw/zinc/72/49/08/570724908.db2.gz OWJCIPISBQRULZ-UHFFFAOYSA-N -1 0 388.493 3.618 50 0 GHAARM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006383319 570725588 /nfs/dbraw/zinc/72/55/88/570725588.db2.gz XMNYTFSQARRUDT-GJZGRUSLSA-N -1 0 390.480 3.745 50 0 GHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(F)cc2C)n1 ZINC000065194574 570726231 /nfs/dbraw/zinc/72/62/31/570726231.db2.gz MYIUEHTVNQZIKJ-UHFFFAOYSA-N -1 0 392.456 3.503 50 0 GHAARM COc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc(Cl)c1OCC(C)C ZINC000012971448 570733068 /nfs/dbraw/zinc/73/30/68/570733068.db2.gz KROKOKKOHZIJDT-UHFFFAOYSA-N -1 0 383.872 3.901 50 0 GHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000036576460 570742004 /nfs/dbraw/zinc/74/20/04/570742004.db2.gz HZBDBZWGLQMKKP-MRXNPFEDSA-N -1 0 384.432 3.683 50 0 GHAARM Cc1cc(NC(=O)/N=c2\[n-]nc3cccc(Cl)n32)ccc1Br ZINC000065314639 570796598 /nfs/dbraw/zinc/79/65/98/570796598.db2.gz VTUKORXNQDWUDC-UHFFFAOYSA-N -1 0 380.633 3.520 50 0 GHAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000005927695 570804403 /nfs/dbraw/zinc/80/44/03/570804403.db2.gz WXISLKUKKUYPNZ-UHFFFAOYSA-N -1 0 376.409 3.511 50 0 GHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1Cl ZINC000033114687 570813302 /nfs/dbraw/zinc/81/33/02/570813302.db2.gz NSTJIJWDJGNOQC-QZTJIDSGSA-N -1 0 380.835 3.635 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1 ZINC000101298392 570818645 /nfs/dbraw/zinc/81/86/45/570818645.db2.gz KPEODIKQBBZNNB-IBGZPJMESA-N -1 0 388.427 3.736 50 0 GHAARM COc1ccccc1-c1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000299752200 570828680 /nfs/dbraw/zinc/82/86/80/570828680.db2.gz SVIXGQLHERTGRJ-WQVCFCJDSA-N -1 0 386.473 3.677 50 0 GHAARM CC(C)COc1ccc(-c2noc(-c3c([O-])c4ccccc4n(C)c3=O)n2)cc1 ZINC000101725687 570831818 /nfs/dbraw/zinc/83/18/18/570831818.db2.gz NJVLCSVGOYWWPE-UHFFFAOYSA-N -1 0 391.427 3.996 50 0 GHAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c12 ZINC000007424006 570841079 /nfs/dbraw/zinc/84/10/79/570841079.db2.gz MZHSJEDWMVRRSH-AWEZNQCLSA-N -1 0 384.439 3.614 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2[n-]c1=S ZINC000102335297 570845846 /nfs/dbraw/zinc/84/58/46/570845846.db2.gz BDUDYPVIOUNHHB-UHFFFAOYSA-N -1 0 389.864 3.619 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2[n-]c1=S ZINC000102602511 570853678 /nfs/dbraw/zinc/85/36/78/570853678.db2.gz XQUFHLWSNMKOCF-SFHVURJKSA-N -1 0 379.485 3.586 50 0 GHAARM Cc1c2c(cc(=O)n1Cc1ccc(F)cc1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000051152489 570864582 /nfs/dbraw/zinc/86/45/82/570864582.db2.gz XYIKUNMZVKUVPR-UHFFFAOYSA-N -1 0 383.810 3.630 50 0 GHAARM CC(NCCc1c[nH]c2ccccc12)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000103122965 570876473 /nfs/dbraw/zinc/87/64/73/570876473.db2.gz NOXFWGOISWYROR-RGEXLXHISA-N -1 0 388.427 3.697 50 0 GHAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cs2)no1 ZINC000006681797 570938359 /nfs/dbraw/zinc/93/83/59/570938359.db2.gz LRRYLPNFRJZOKK-UHFFFAOYSA-N -1 0 391.474 3.714 50 0 GHAARM O=C([O-])CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCOCC1 ZINC000238078592 570945107 /nfs/dbraw/zinc/94/51/07/570945107.db2.gz WQPRUGCQPVALBV-UHFFFAOYSA-N -1 0 377.824 3.696 50 0 GHAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002107694 570948669 /nfs/dbraw/zinc/94/86/69/570948669.db2.gz VCMISQJOXUCMEQ-KRWDZBQOSA-N -1 0 399.443 3.848 50 0 biogenic GHAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1 ZINC000012739923 570982061 /nfs/dbraw/zinc/98/20/61/570982061.db2.gz HKJMBOCLLSHEME-UHFFFAOYSA-N -1 0 387.482 3.558 50 0 GHAARM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000563585298 597118660 /nfs/dbraw/zinc/11/86/60/597118660.db2.gz MDEKVDKRHDZOPU-HNNXBMFYSA-N -1 0 381.432 3.658 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2F)c(Cl)cc1Cl ZINC000003358104 601317515 /nfs/dbraw/zinc/31/75/15/601317515.db2.gz HRRMBGQIZBMGSK-UHFFFAOYSA-N -1 0 382.171 3.771 50 0 GHAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002841691 847076018 /nfs/dbraw/zinc/07/60/18/847076018.db2.gz ZMVFCXCURNQLGK-IAGOWNOFSA-N -1 0 394.427 3.553 50 0 GHAARM C[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000057335629 861969082 /nfs/dbraw/zinc/96/90/82/861969082.db2.gz ROXAGBVOEWVBLJ-SECBINFHSA-N -1 0 375.400 3.637 50 0 GHAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002971416 862077578 /nfs/dbraw/zinc/07/75/78/862077578.db2.gz LXCIXRFOHYPHMJ-UHFFFAOYSA-N -1 0 387.892 3.809 50 0 GHAARM O=C([O-])c1ccccc1C=NNC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000254448706 852230540 /nfs/dbraw/zinc/23/05/40/852230540.db2.gz KCMROGLQBXEYHS-UHFFFAOYSA-N -1 0 384.395 3.692 50 0 GHAARM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccccc1OC(F)(F)F ZINC000031722451 862668373 /nfs/dbraw/zinc/66/83/73/862668373.db2.gz WSOSNRDSRMYJTF-UHFFFAOYSA-N -1 0 397.378 3.631 50 0 GHAARM CCOC(=O)Cc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000008914279 856647970 /nfs/dbraw/zinc/64/79/70/856647970.db2.gz AEIHFMSDCDHHEY-UHFFFAOYSA-N -1 0 387.439 3.798 50 0 GHAARM COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)s2)c1 ZINC000040267416 856718462 /nfs/dbraw/zinc/71/84/62/856718462.db2.gz ZTLKOHIVNNYTSY-MRXNPFEDSA-N -1 0 382.441 3.683 50 0 GHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCSc1ccc(F)cc1 ZINC000009550285 857229157 /nfs/dbraw/zinc/22/91/57/857229157.db2.gz CUYDLBXHNIKXFP-GOSISDBHSA-N -1 0 386.448 3.601 50 0 GHAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 ZINC000262994067 892394783 /nfs/dbraw/zinc/39/47/83/892394783.db2.gz DXQIRDBZVXMLKL-SNVBAGLBSA-N -1 0 385.367 3.767 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N3CC[C@@H](C(F)(F)F)C(C)(C)C3)cc2=O)cc1 ZINC000190691314 906226324 /nfs/dbraw/zinc/22/63/24/906226324.db2.gz POLJYHWCKRWFDV-OAHLLOKOSA-N -1 0 381.398 3.525 50 0 GHAARM CC(C)(C)c1nc(C=Cc2cnc(-c3ccccn3)s2)c(C(=O)[O-])c(=O)[nH]1 ZINC000328593198 206230545 /nfs/dbraw/zinc/23/05/45/206230545.db2.gz YKVPXQUEQYFUDE-BQYQJAHWSA-N -1 0 382.445 3.867 50 0 GHAARM C[C@H]1CC(=O)NC(=O)N1c1cc(Br)c([O-])c(Br)c1 ZINC000000625450 206309591 /nfs/dbraw/zinc/30/95/91/206309591.db2.gz JZHMGCWVZTYJOE-YFKPBYRVSA-N -1 0 378.020 3.592 50 0 GHAARM O=C([O-])COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001011131 206342213 /nfs/dbraw/zinc/34/22/13/206342213.db2.gz SIIZHKHJESMOBN-SXGWCWSVSA-N -1 0 387.388 3.526 50 0 GHAARM CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000009708996 206347708 /nfs/dbraw/zinc/34/77/08/206347708.db2.gz XBMHVZQZBLBXFK-UHFFFAOYSA-N -1 0 380.473 3.846 50 0 GHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1 ZINC000001073195 206349716 /nfs/dbraw/zinc/34/97/16/206349716.db2.gz WNQMXCJQTAXGAS-UHFFFAOYSA-N -1 0 392.908 3.994 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)n1 ZINC000001297228 206372402 /nfs/dbraw/zinc/37/24/02/206372402.db2.gz KJCSSWKOSKLKTR-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000001141446 206358571 /nfs/dbraw/zinc/35/85/71/206358571.db2.gz YLRJAXWUDMATJS-UHFFFAOYSA-N -1 0 390.244 3.589 50 0 GHAARM COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C(=O)[O-])cc1OC ZINC000001199271 206366884 /nfs/dbraw/zinc/36/68/84/206366884.db2.gz RPHSQKNRBXSAOS-UHFFFAOYSA-N -1 0 387.432 3.717 50 0 biogenic GHAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(C)cc1C ZINC000006189797 206643764 /nfs/dbraw/zinc/64/37/64/206643764.db2.gz QPESFXMKMWMOFE-UHFFFAOYSA-N -1 0 375.446 3.930 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000006701438 206664585 /nfs/dbraw/zinc/66/45/85/206664585.db2.gz VCXKQKCYYYTRMG-UHFFFAOYSA-N -1 0 389.477 3.514 50 0 GHAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000012541882 206910432 /nfs/dbraw/zinc/91/04/32/206910432.db2.gz GBIXVMJNKPRKLT-LBPRGKRZSA-N -1 0 376.459 3.633 50 0 GHAARM CC(=O)c1cc(C(=O)c2cc(C)ccc2[O-])cn(-c2ccc(C)cc2C)c1=O ZINC000014180719 207013931 /nfs/dbraw/zinc/01/39/31/207013931.db2.gz OQKVBYLBSTWMDJ-UHFFFAOYSA-N -1 0 375.424 3.902 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1ccc(F)cc1 ZINC000016955663 207080373 /nfs/dbraw/zinc/08/03/73/207080373.db2.gz KLEVUUWZQMUYDB-UHFFFAOYSA-N -1 0 398.419 3.775 50 0 GHAARM Cc1ccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCC3)cc1 ZINC000017078893 207083229 /nfs/dbraw/zinc/08/32/29/207083229.db2.gz SLXXNLMWBSPBOC-UHFFFAOYSA-N -1 0 386.473 3.991 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079617 207083417 /nfs/dbraw/zinc/08/34/17/207083417.db2.gz SHHGMKHSDQPMDK-RYUDHWBXSA-N -1 0 390.436 3.969 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017079678 207083724 /nfs/dbraw/zinc/08/37/24/207083724.db2.gz CITKQRQYGPMERI-LSDHHAIUSA-N -1 0 390.505 3.643 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OCC)c(C)cc1OCC ZINC000032603679 207399753 /nfs/dbraw/zinc/39/97/53/207399753.db2.gz QREDQWUCTGQWPC-UHFFFAOYSA-N -1 0 379.478 3.992 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(C)(C)C ZINC000032601669 207399901 /nfs/dbraw/zinc/39/99/01/207399901.db2.gz HLRBDFKMRSRWEV-UHFFFAOYSA-N -1 0 377.462 3.882 50 0 GHAARM CC(C)n1[n-]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc(F)c(F)c1F ZINC000072405311 208016409 /nfs/dbraw/zinc/01/64/09/208016409.db2.gz JGMBKWQEDQGSLB-UHFFFAOYSA-N -1 0 380.351 3.705 50 0 GHAARM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2n[nH]c(C3CC3)c2Cl)cc1 ZINC000095463955 208188773 /nfs/dbraw/zinc/18/87/73/208188773.db2.gz BOIBVTFLVKNVKA-LBPRGKRZSA-N -1 0 379.869 3.608 50 0 GHAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2C)o1 ZINC000096379403 208309927 /nfs/dbraw/zinc/30/99/27/208309927.db2.gz QRHWGIULPOAMOR-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C1(c2ccc(F)cc2)CC1)CC3 ZINC000096997938 208332972 /nfs/dbraw/zinc/33/29/72/208332972.db2.gz BRSBGWCRZYOQIJ-UHFFFAOYSA-N -1 0 378.403 3.622 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c([O-])c2ccccc21 ZINC000100534712 208376632 /nfs/dbraw/zinc/37/66/32/208376632.db2.gz NMVLXVOPWAQYJC-UHFFFAOYSA-N -1 0 376.334 3.998 50 0 GHAARM CCOc1ccccc1NC(=O)Cc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101831613 208397025 /nfs/dbraw/zinc/39/70/25/208397025.db2.gz CWTVELLKFYBYJS-UHFFFAOYSA-N -1 0 386.477 3.540 50 0 GHAARM COc1cccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)c1 ZINC000101833297 208399321 /nfs/dbraw/zinc/39/93/21/208399321.db2.gz OMLXABBZHYYIKL-UHFFFAOYSA-N -1 0 386.477 3.540 50 0 GHAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000013696966 208784619 /nfs/dbraw/zinc/78/46/19/208784619.db2.gz PUDAAROYNHTFKG-UHFFFAOYSA-N -1 0 382.894 3.501 50 0 GHAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000252479973 209032611 /nfs/dbraw/zinc/03/26/11/209032611.db2.gz BQYYNEHBAPTENU-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000007709476 221007231 /nfs/dbraw/zinc/00/72/31/221007231.db2.gz UQWNFKMVDFTHBN-UHFFFAOYSA-N -1 0 393.262 3.807 50 0 GHAARM Cc1cccc(OCC(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c1 ZINC000064589190 136157133 /nfs/dbraw/zinc/15/71/33/136157133.db2.gz ZAGKPLKUCBEBAG-INIZCTEOSA-N -1 0 382.460 3.947 50 0 GHAARM CC1CCN(c2ccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000065528664 136164162 /nfs/dbraw/zinc/16/41/62/136164162.db2.gz NZZCJVJHNCEAAL-UHFFFAOYSA-N -1 0 396.516 3.909 50 0 GHAARM Cc1cc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])c3cnn(C(C)C)c3n2)c(C)o1 ZINC000236814115 526037837 /nfs/dbraw/zinc/03/78/37/526037837.db2.gz LPWKZLNKLCZKHF-SFHVURJKSA-N -1 0 396.447 3.578 50 0 GHAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCCO3)on1 ZINC000072301874 570252949 /nfs/dbraw/zinc/25/29/49/570252949.db2.gz UPLLTNONGYNLAR-UHFFFAOYSA-N -1 0 386.857 3.588 50 0 GHAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000006146665 570277089 /nfs/dbraw/zinc/27/70/89/570277089.db2.gz LBWZHJRVRKEFSO-UHFFFAOYSA-N -1 0 391.836 3.690 50 0 GHAARM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000078938688 570283349 /nfs/dbraw/zinc/28/33/49/570283349.db2.gz ZHJNPGUNOVEYIX-UHFFFAOYSA-N -1 0 392.864 3.764 50 0 GHAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NC1CCCCC1 ZINC000034767511 570333504 /nfs/dbraw/zinc/33/35/04/570333504.db2.gz WAQRPKQVKVYXSL-UHFFFAOYSA-N -1 0 394.397 3.645 50 0 GHAARM C[C@@H](C(=O)Nc1ccccc1C(=O)[O-])n1c2ccccc2nc1C(F)(F)F ZINC000004024386 570354717 /nfs/dbraw/zinc/35/47/17/570354717.db2.gz OONQDSOEIRYYQN-JTQLQIEISA-N -1 0 377.322 3.953 50 0 GHAARM O=C([O-])CSCC(=O)Nc1ccc(Oc2c(Cl)cccc2Cl)nc1 ZINC000004334867 570369193 /nfs/dbraw/zinc/36/91/93/570369193.db2.gz FCCVZFRCCOWRFV-UHFFFAOYSA-N -1 0 387.244 3.937 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000006316869 570377213 /nfs/dbraw/zinc/37/72/13/570377213.db2.gz DTUVSBONZFOEKD-UHFFFAOYSA-N -1 0 378.194 3.537 50 0 GHAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cs1 ZINC000004756606 570403705 /nfs/dbraw/zinc/40/37/05/570403705.db2.gz CLNROEYRGOURHQ-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM O=C([O-])c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1 ZINC000004855088 570412752 /nfs/dbraw/zinc/41/27/52/570412752.db2.gz CODIEWWYOWJSEI-UHFFFAOYSA-N -1 0 386.127 3.876 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)s1 ZINC000005099580 570416493 /nfs/dbraw/zinc/41/64/93/570416493.db2.gz OOKNEUXDMXSUHK-UHFFFAOYSA-N -1 0 376.503 3.547 50 0 GHAARM O=c1c(I)c([O-])cc(-c2ccccc2)n1-c1ccccc1 ZINC000005450654 570440430 /nfs/dbraw/zinc/44/04/30/570440430.db2.gz RIFRAUZVVLOCER-UHFFFAOYSA-N -1 0 389.192 3.815 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000011865961 570441414 /nfs/dbraw/zinc/44/14/14/570441414.db2.gz GYJLUZTYXKBJCJ-QGZVFWFLSA-N -1 0 391.452 3.513 50 0 GHAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000007053725 570500546 /nfs/dbraw/zinc/50/05/46/570500546.db2.gz MYSJZHLEUFMKGZ-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM O=C([O-])CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000007602792 570510185 /nfs/dbraw/zinc/51/01/85/570510185.db2.gz PIEWBKUITZEYSM-UHFFFAOYSA-N -1 0 383.425 3.759 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005014086 570541153 /nfs/dbraw/zinc/54/11/53/570541153.db2.gz RNBPEGROAAOWEM-CABCVRRESA-N -1 0 390.867 3.572 50 0 GHAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000034928819 570548217 /nfs/dbraw/zinc/54/82/17/570548217.db2.gz OPDFVXCINVCAGQ-UHFFFAOYSA-N -1 0 389.820 3.721 50 0 GHAARM COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1N1CCCC1=O ZINC000005329635 570554815 /nfs/dbraw/zinc/55/48/15/570554815.db2.gz SRRLYFXRWRFNDX-UHFFFAOYSA-N -1 0 388.489 3.548 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)c3cccnc23)C[C@H]1C(=O)[O-] ZINC000042783161 570622731 /nfs/dbraw/zinc/62/27/31/570622731.db2.gz VZFDILBIBFZFIF-FZMZJTMJSA-N -1 0 392.839 3.730 50 0 GHAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000012198520 570624042 /nfs/dbraw/zinc/62/40/42/570624042.db2.gz MCZFLKFAMPEPIA-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1OC ZINC000065031202 570651569 /nfs/dbraw/zinc/65/15/69/570651569.db2.gz HUYPFPNLYYHLPY-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CC(=O)c1ccccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@H](C)CC3 ZINC000065150506 570711533 /nfs/dbraw/zinc/71/15/33/570711533.db2.gz GIXNOXHGIGWIFA-SNVBAGLBSA-N -1 0 396.468 3.875 50 0 GHAARM Cc1cc2nnc(SCC(=O)[N-]OCc3ccccc3)n2c2ccccc12 ZINC000058369692 570729303 /nfs/dbraw/zinc/72/93/03/570729303.db2.gz ZNKXJRKMBYHJGX-UHFFFAOYSA-N -1 0 378.457 3.531 50 0 GHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000032679009 570730356 /nfs/dbraw/zinc/73/03/56/570730356.db2.gz JGGGIMDJVPTABR-OAHLLOKOSA-N -1 0 384.501 3.944 50 0 GHAARM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(Cl)s1 ZINC000001009649 570746270 /nfs/dbraw/zinc/74/62/70/570746270.db2.gz BMSBJJAJWYPPEF-UHFFFAOYSA-N -1 0 399.662 3.807 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000032721314 570761485 /nfs/dbraw/zinc/76/14/85/570761485.db2.gz GOABYDHMDSQPBJ-UHFFFAOYSA-N -1 0 388.272 3.674 50 0 GHAARM CCN1C[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])CC1=O ZINC000065403241 570766263 /nfs/dbraw/zinc/76/62/63/570766263.db2.gz YTPZKXBOHHRCNH-INIZCTEOSA-N -1 0 389.455 3.784 50 0 GHAARM O=c1c2c([n-]n1-c1ccccc1)[nH]c(CSc1ccc(Cl)cc1)cc2=O ZINC000013655809 570767275 /nfs/dbraw/zinc/76/72/75/570767275.db2.gz UDYYPRWBKNVMLH-UHFFFAOYSA-N -1 0 383.860 3.953 50 0 GHAARM COCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccc(Cl)cc1 ZINC000067640755 570784291 /nfs/dbraw/zinc/78/42/91/570784291.db2.gz FBZYCYMPPNYTSM-UHFFFAOYSA-N -1 0 397.818 3.830 50 0 GHAARM O=C([O-])CSc1nnc(Cc2cccnc2)n1-c1cccc2ccccc21 ZINC000067866897 570794533 /nfs/dbraw/zinc/79/45/33/570794533.db2.gz ZXEAZHCRHANNPE-UHFFFAOYSA-N -1 0 376.441 3.583 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(C)=O ZINC000006000331 570812902 /nfs/dbraw/zinc/81/29/02/570812902.db2.gz DHXCSMFZFVVRPO-UHFFFAOYSA-N -1 0 398.278 3.851 50 0 GHAARM CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccccc1Cl ZINC000101095467 570812220 /nfs/dbraw/zinc/81/22/20/570812220.db2.gz YKVOXQDUFKBJDP-UHFFFAOYSA-N -1 0 378.837 3.679 50 0 GHAARM CCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)nc1C ZINC000101505321 570825486 /nfs/dbraw/zinc/82/54/86/570825486.db2.gz HECFFXVDIULVLG-UHFFFAOYSA-N -1 0 384.505 3.690 50 0 GHAARM CC(C)Oc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1 ZINC000101725153 570830812 /nfs/dbraw/zinc/83/08/12/570830812.db2.gz XUIKWZXHXAUOMS-UHFFFAOYSA-N -1 0 395.390 3.887 50 0 GHAARM O=C([O-])C1(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000170592089 570851350 /nfs/dbraw/zinc/85/13/50/570851350.db2.gz WLHAXZFLJNGOQH-KRWDZBQOSA-N -1 0 375.877 3.896 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000033253639 570861960 /nfs/dbraw/zinc/86/19/60/570861960.db2.gz LWTCQMGBBXFNTL-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000012561151 570865828 /nfs/dbraw/zinc/86/58/28/570865828.db2.gz VSMRCHRMGAZHCZ-UHFFFAOYSA-N -1 0 396.266 3.525 50 0 GHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(F)cc1 ZINC000102901257 570871063 /nfs/dbraw/zinc/87/10/63/570871063.db2.gz OZRWLGSZXPNNDG-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000015245333 570903840 /nfs/dbraw/zinc/90/38/40/570903840.db2.gz ZQWBSUXXHGNCJN-UHFFFAOYSA-N -1 0 396.671 3.663 50 0 GHAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000006431781 570911785 /nfs/dbraw/zinc/91/17/85/570911785.db2.gz KUBVSZWMHTUISS-KAMYIIQDSA-N -1 0 397.905 3.811 50 0 GHAARM O=C([O-])C1(CC(=O)N[C@@H](c2ccco2)c2ccccc2)Cc2ccccc2C1 ZINC000238046908 570945003 /nfs/dbraw/zinc/94/50/03/570945003.db2.gz FMRGRGPOBCLERD-OAQYLSRUSA-N -1 0 375.424 3.745 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2F)Cc2ccccc2C1 ZINC000237915899 570945063 /nfs/dbraw/zinc/94/50/63/570945063.db2.gz SLHWAYFCADOKHC-UHFFFAOYSA-N -1 0 392.224 3.787 50 0 GHAARM Cc1nc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)sc1C ZINC000045032555 570985937 /nfs/dbraw/zinc/98/59/37/570985937.db2.gz IGGCSIXVWDFPFX-UHFFFAOYSA-N -1 0 393.515 3.875 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 ZINC000045961709 571006637 /nfs/dbraw/zinc/00/66/37/571006637.db2.gz OHLOOQWJLLRDPQ-UHFFFAOYSA-N -1 0 394.518 3.574 50 0 GHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000012390699 599805834 /nfs/dbraw/zinc/80/58/34/599805834.db2.gz HZBDBZWGLQMKKP-INIZCTEOSA-N -1 0 384.432 3.683 50 0 GHAARM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000078868958 836783079 /nfs/dbraw/zinc/78/30/79/836783079.db2.gz VDTUSEWVWCOORS-AYLMVEPYSA-N -1 0 375.764 3.996 50 0 GHAARM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)cc1C ZINC000055577183 861259941 /nfs/dbraw/zinc/25/99/41/861259941.db2.gz OBAVXXUZBRJVNX-UHFFFAOYSA-N -1 0 385.489 3.915 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005013812 843336167 /nfs/dbraw/zinc/33/61/67/843336167.db2.gz XPILEFALUNYFDR-GJZGRUSLSA-N -1 0 392.883 3.796 50 0 GHAARM Cc1cc2oc(-c3ccc4c(c3)OCO4)c(-c3c(=O)cc(C)oc3[O-])c2c(=O)o1 ZINC000888090161 843696961 /nfs/dbraw/zinc/69/69/61/843696961.db2.gz FWQRUGFFBVBVGW-UHFFFAOYSA-N -1 0 394.335 3.724 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000002726525 861545273 /nfs/dbraw/zinc/54/52/73/861545273.db2.gz UGZGLYDHDORUSA-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM CCN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000003166563 862230282 /nfs/dbraw/zinc/23/02/82/862230282.db2.gz KSBQVNFVPBLTFR-VBQJREDUSA-N -1 0 398.406 3.584 50 0 GHAARM O=C(OCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000003272916 862299621 /nfs/dbraw/zinc/29/96/21/862299621.db2.gz SOTZAOVHVPXNEJ-UHFFFAOYSA-N -1 0 389.454 3.612 50 0 GHAARM CCCc1cc2c(cc1OCC(=O)[O-])occ(-c1ccc3c(c1)OCO3)c2=O ZINC000004023709 862721234 /nfs/dbraw/zinc/72/12/34/862721234.db2.gz VFYWHWBRNUUDOI-UHFFFAOYSA-N -1 0 382.368 3.605 50 0 biogenic GHAARM COc1c(Br)cc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000040062505 856645442 /nfs/dbraw/zinc/64/54/42/856645442.db2.gz HFBDNKLSEJALIH-UHFFFAOYSA-N -1 0 388.233 3.961 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1C(=O)N1CCCCC1 ZINC000009684479 857304808 /nfs/dbraw/zinc/30/48/08/857304808.db2.gz JTPGPYXQVKIXHQ-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1C(=O)N1CCCCC1 ZINC000009684473 857304851 /nfs/dbraw/zinc/30/48/51/857304851.db2.gz BQHOWJXFZYFBTH-UHFFFAOYSA-N -1 0 389.521 3.675 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000009686697 857306478 /nfs/dbraw/zinc/30/64/78/857306478.db2.gz LWYQWPMZNUZOMK-UHFFFAOYSA-N -1 0 377.491 3.955 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c1 ZINC000009686737 857307704 /nfs/dbraw/zinc/30/77/04/857307704.db2.gz QRUZZBTWGWQBIE-UHFFFAOYSA-N -1 0 393.490 3.573 50 0 GHAARM O=C([O-])c1cc(NC(=O)c2ccccc2NC(=O)c2ccccc2)ccc1O ZINC000005515623 882619063 /nfs/dbraw/zinc/61/90/63/882619063.db2.gz CQNVXLDSCBAVDR-UHFFFAOYSA-N -1 0 376.368 3.595 50 0 GHAARM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000621588387 885303927 /nfs/dbraw/zinc/30/39/27/885303927.db2.gz WYOAXGQOUDBYRP-HOTGVXAUSA-N -1 0 385.370 3.931 50 0 GHAARM O=C([O-])c1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 ZINC000670416559 892713690 /nfs/dbraw/zinc/71/36/90/892713690.db2.gz JXIQQKBDOGZXIG-UHFFFAOYSA-N -1 0 390.395 3.924 50 0 GHAARM Cc1cc(SCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)cc1Br ZINC000169998259 1014704285 /nfs/dbraw/zinc/70/42/85/1014704285.db2.gz LAJLDBNXOGFIIN-NEPJUHHUSA-N -1 0 386.311 3.528 50 0 GHAARM CCOC(=O)c1cc(C(=O)c2ccccc2[O-])n2cnc(-c3ccco3)cc12 ZINC000000626826 206309503 /nfs/dbraw/zinc/30/95/03/206309503.db2.gz YLXXEPAQKJOVNQ-UHFFFAOYSA-N -1 0 376.368 3.708 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627648 206309825 /nfs/dbraw/zinc/30/98/25/206309825.db2.gz CBZQLWBOIFBSOQ-DLBZAZTESA-N -1 0 394.427 3.553 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)no1 ZINC000000701856 206317367 /nfs/dbraw/zinc/31/73/67/206317367.db2.gz URLVMOUSXYSLKY-UHFFFAOYSA-N -1 0 391.836 3.690 50 0 GHAARM CSc1nc2ccc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)cc2s1 ZINC000034888542 206320485 /nfs/dbraw/zinc/32/04/85/206320485.db2.gz MWHWPUCEMIFSDF-UHFFFAOYSA-N -1 0 380.472 3.517 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000813068 206324627 /nfs/dbraw/zinc/32/46/27/206324627.db2.gz TWXJGBLSYIKULN-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000855014 206327364 /nfs/dbraw/zinc/32/73/64/206327364.db2.gz PWZWYNFDEJVKKT-IZZDOVSWSA-N -1 0 385.470 3.596 50 0 GHAARM CCCN1c2ccc([N-]S(=O)(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000009167407 206306303 /nfs/dbraw/zinc/30/63/03/206306303.db2.gz NMSBIWKVVKUHMH-UHFFFAOYSA-N -1 0 394.518 3.711 50 0 GHAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000001149037 206359992 /nfs/dbraw/zinc/35/99/92/206359992.db2.gz PKACNPOIXRYCTD-OVCLIPMQSA-N -1 0 390.798 3.637 50 0 GHAARM COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003280962 206467009 /nfs/dbraw/zinc/46/70/09/206467009.db2.gz UKEFWLFMSYKRRG-UHFFFAOYSA-N -1 0 397.452 3.789 50 0 GHAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003289803 206468325 /nfs/dbraw/zinc/46/83/25/206468325.db2.gz HLTDXFVSSJKSAR-UHFFFAOYSA-N -1 0 375.425 3.749 50 0 GHAARM Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3c(Cl)cccc3Cl)nc2)cn1 ZINC000004334868 206516824 /nfs/dbraw/zinc/51/68/24/206516824.db2.gz CCCPQNFOEGBMOZ-UHFFFAOYSA-N -1 0 399.259 3.715 50 0 GHAARM O=C([O-])c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1 ZINC000004657277 206537691 /nfs/dbraw/zinc/53/76/91/206537691.db2.gz JOILSEHAHMRFOW-UHFFFAOYSA-N -1 0 375.228 3.888 50 0 GHAARM COc1ccc(C(C)=O)cc1CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000004978206 206579525 /nfs/dbraw/zinc/57/95/25/206579525.db2.gz KPGPSQKKXVKGTN-UHFFFAOYSA-N -1 0 396.468 3.570 50 0 GHAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000009009717 206770772 /nfs/dbraw/zinc/77/07/72/206770772.db2.gz RKYWSOLGBFAISM-JOCHJYFZSA-N -1 0 377.444 3.714 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1F ZINC000009646437 206794744 /nfs/dbraw/zinc/79/47/44/206794744.db2.gz SDKANIRYWVQYGK-UHFFFAOYSA-N -1 0 383.397 3.767 50 0 GHAARM COc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000013881543 207003629 /nfs/dbraw/zinc/00/36/29/207003629.db2.gz XREWGPMRYPRHNP-LICLKQGHSA-N -1 0 399.424 3.639 50 0 GHAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccco1 ZINC000015862083 207064442 /nfs/dbraw/zinc/06/44/42/207064442.db2.gz FOHFGRNOYLZAEZ-UHFFFAOYSA-N -1 0 399.453 3.942 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017080424 207083933 /nfs/dbraw/zinc/08/39/33/207083933.db2.gz NERKGFWGMFPGOH-BBNOBNGHSA-N -1 0 393.505 3.871 50 0 GHAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000017079223 207084155 /nfs/dbraw/zinc/08/41/55/207084155.db2.gz JQIGUDXCGYOLLQ-UHFFFAOYSA-N -1 0 388.272 3.577 50 0 GHAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000017080206 207084181 /nfs/dbraw/zinc/08/41/81/207084181.db2.gz REYATZRGLCEMOI-UHFFFAOYSA-N -1 0 392.521 3.883 50 0 GHAARM O=C1NC(c2ccccc2)=N[C@@]1([N-]c1nc2ccccc2s1)C(F)(F)F ZINC000020069798 207176477 /nfs/dbraw/zinc/17/64/77/207176477.db2.gz XSYQSELLCADYAQ-INIZCTEOSA-N -1 0 376.363 3.543 50 0 GHAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000020733792 207211945 /nfs/dbraw/zinc/21/19/45/207211945.db2.gz AJCVBLBPBQSTMK-UHFFFAOYSA-N -1 0 399.299 3.983 50 0 GHAARM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccn1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990078 207222326 /nfs/dbraw/zinc/22/23/26/207222326.db2.gz AAVHFZJPUCIHMG-UHFFFAOYSA-N -1 0 383.473 3.827 50 0 GHAARM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)ccc21 ZINC000022274516 207250995 /nfs/dbraw/zinc/25/09/95/207250995.db2.gz JZXSEJDSMQRNQN-UHFFFAOYSA-N -1 0 385.272 3.703 50 0 GHAARM O=C(CSc1nnc(-c2ccc(F)c(F)c2)c(=O)[n-]1)c1c[nH]c2ccccc21 ZINC000024747939 207294361 /nfs/dbraw/zinc/29/43/61/207294361.db2.gz ZPIMFYNKRMHCSL-UHFFFAOYSA-N -1 0 398.394 3.979 50 0 GHAARM O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)[N-]OCc1ccccc1 ZINC000025285364 207303483 /nfs/dbraw/zinc/30/34/83/207303483.db2.gz XNJFDFJOCARQMQ-UHFFFAOYSA-N -1 0 381.432 3.992 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000027587908 207329284 /nfs/dbraw/zinc/32/92/84/207329284.db2.gz OHTPPBUXILBTQJ-UHFFFAOYSA-N -1 0 391.674 3.697 50 0 GHAARM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c[nH]1)N1CCCC1 ZINC000029435669 207362661 /nfs/dbraw/zinc/36/26/61/207362661.db2.gz UKBFODIHOIBJMI-UHFFFAOYSA-N -1 0 395.484 3.719 50 0 GHAARM CCCCN(Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1C(=O)[O-] ZINC000033253623 207444542 /nfs/dbraw/zinc/44/45/42/207444542.db2.gz PNXJVYCVLSDQEW-UHFFFAOYSA-N -1 0 376.478 3.563 50 0 GHAARM COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000040163763 207590404 /nfs/dbraw/zinc/59/04/04/207590404.db2.gz HYAYHZAMUPKHIA-UHFFFAOYSA-N -1 0 387.848 3.881 50 0 GHAARM CC(=O)c1cn(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)c2ccccc12 ZINC000040286537 207593094 /nfs/dbraw/zinc/59/30/94/207593094.db2.gz SAHIHPVDZGXQSA-UHFFFAOYSA-N -1 0 384.476 3.775 50 0 GHAARM O=C([O-])C[C@@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000084579630 207660146 /nfs/dbraw/zinc/66/01/46/207660146.db2.gz QBHUAXHVBMIIHO-ATWMFIQVSA-N -1 0 377.849 3.719 50 0 GHAARM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000046868551 207676634 /nfs/dbraw/zinc/67/66/34/207676634.db2.gz SJTVWRPVKFRMGJ-UHFFFAOYSA-N -1 0 387.288 3.637 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccccc2Cl)c3[O-])c1 ZINC000065250054 207851700 /nfs/dbraw/zinc/85/17/00/207851700.db2.gz YLMCXGPFNWKCMR-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM O=C([O-])c1cnc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c(Cl)c1 ZINC000072457809 208028651 /nfs/dbraw/zinc/02/86/51/208028651.db2.gz FZAXWVUZLXXYOK-UHFFFAOYSA-N -1 0 379.807 3.984 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC000095367484 208164396 /nfs/dbraw/zinc/16/43/96/208164396.db2.gz NIVCRRWUFSBHIK-GOSISDBHSA-N -1 0 375.428 3.590 50 0 GHAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095383322 208172982 /nfs/dbraw/zinc/17/29/82/208172982.db2.gz VXHYTWUSCVCFPB-LJQANCHMSA-N -1 0 389.455 3.805 50 0 GHAARM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000095424904 208180433 /nfs/dbraw/zinc/18/04/33/208180433.db2.gz CYQHLXKIAIQEGB-LZJOCLMNSA-N -1 0 397.471 3.554 50 0 GHAARM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000095424906 208180905 /nfs/dbraw/zinc/18/09/05/208180905.db2.gz CYQHLXKIAIQEGB-CBGDNZLLSA-N -1 0 397.471 3.554 50 0 GHAARM COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2ccc([O-])c(Cl)c2)C3)cc1 ZINC000096140106 208271404 /nfs/dbraw/zinc/27/14/04/208271404.db2.gz SWNDKSMNZCRYDS-UHFFFAOYSA-N -1 0 383.835 3.643 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n(-c2cc(C)nc(C)n2)n1 ZINC000095964383 208246224 /nfs/dbraw/zinc/24/62/24/208246224.db2.gz MAKHMKLFHCDCCP-UHFFFAOYSA-N -1 0 385.493 3.512 50 0 GHAARM O=S1(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2-c2c3ccccc3ccc21 ZINC000098050678 208367372 /nfs/dbraw/zinc/36/73/72/208367372.db2.gz JSCWJDJFPUMYSV-UHFFFAOYSA-N -1 0 395.461 3.641 50 0 GHAARM Cc1ccc(S(=O)(=O)C(C(=O)Nc2ccccc2)=C([O-])c2ccccc2)cc1 ZINC000100296900 208374884 /nfs/dbraw/zinc/37/48/84/208374884.db2.gz KZFQLTMLLNYYNX-OAQYLSRUSA-N -1 0 393.464 3.659 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(Cl)cc4)nn3c2=O)cc1 ZINC000101802985 208397609 /nfs/dbraw/zinc/39/76/09/208397609.db2.gz BUYMGCSKEFTPIP-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM CCc1cccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000003004857 208714067 /nfs/dbraw/zinc/71/40/67/208714067.db2.gz XYNFJJRJDBKVLB-UHFFFAOYSA-N -1 0 378.222 3.727 50 0 GHAARM O=C1C[C@@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115522 209010032 /nfs/dbraw/zinc/01/00/32/209010032.db2.gz HRRFAKFSTOZHRZ-ZDUSSCGKSA-N -1 0 390.347 3.905 50 0 biogenic GHAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1ccc(F)c(Cl)c1)C2 ZINC000096193751 209012643 /nfs/dbraw/zinc/01/26/43/209012643.db2.gz IZRUMCXKMMUSJV-UHFFFAOYSA-N -1 0 388.782 3.951 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000065184006 222107440 /nfs/dbraw/zinc/10/74/40/222107440.db2.gz QFUQTVXZRDHNEO-UHFFFAOYSA-N -1 0 386.449 3.556 50 0 GHAARM CCCCCC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000002522630 520133903 /nfs/dbraw/zinc/13/39/03/520133903.db2.gz PQXZMYFVSPDKSA-KRWDZBQOSA-N -1 0 392.521 3.608 50 0 GHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 ZINC000035114246 570233985 /nfs/dbraw/zinc/23/39/85/570233985.db2.gz JKVOXRBVYKSBFX-HOCLYGCPSA-N -1 0 392.274 3.790 50 0 GHAARM CC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2O)CCCC3)c2ccc(F)cc2C1 ZINC000185689284 570250195 /nfs/dbraw/zinc/25/01/95/570250195.db2.gz RYSWNAUJFVOJCY-OAQYLSRUSA-N -1 0 396.462 3.633 50 0 GHAARM Cc1nc2ccccc2c(=O)n1-c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000005204359 570277028 /nfs/dbraw/zinc/27/70/28/570277028.db2.gz RRDVUEXDOSWLMZ-UHFFFAOYSA-N -1 0 397.481 3.556 50 0 GHAARM O=C([O-])[C@H]1c2cccn2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000328598538 570288035 /nfs/dbraw/zinc/28/80/35/570288035.db2.gz MSYRAMMPXDCJKV-OAQYLSRUSA-N -1 0 388.423 3.879 50 0 GHAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F ZINC000002583161 570291519 /nfs/dbraw/zinc/29/15/19/570291519.db2.gz WCJXAGGMJPEDDU-INIZCTEOSA-N -1 0 379.334 3.931 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000004884892 570354883 /nfs/dbraw/zinc/35/48/83/570354883.db2.gz HDEPRSVTAPLWJR-UHFFFAOYSA-N -1 0 399.472 3.961 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000004390625 570373167 /nfs/dbraw/zinc/37/31/67/570373167.db2.gz ZQFPGSHXZMPTBB-UHFFFAOYSA-N -1 0 398.937 3.570 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000006315979 570376728 /nfs/dbraw/zinc/37/67/28/570376728.db2.gz IAWOGQJBNCNJDU-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000006316558 570377135 /nfs/dbraw/zinc/37/71/35/570377135.db2.gz QDIMGLIXEKEVQQ-UHFFFAOYSA-N -1 0 386.267 3.576 50 0 GHAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(C)c1 ZINC000004691104 570393572 /nfs/dbraw/zinc/39/35/72/570393572.db2.gz VQBKHESJBCXBMR-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cc(Cl)ccc1Cl ZINC000006416230 570405849 /nfs/dbraw/zinc/40/58/49/570405849.db2.gz BAIOQLNYEVQCDK-UHFFFAOYSA-N -1 0 382.066 3.952 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000238065369 570423055 /nfs/dbraw/zinc/42/30/55/570423055.db2.gz AGBPAOOARASPPC-ZWKOTPCHSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])C[C@@H]1SC(=NN=Cc2ccc(Cl)cc2)N(c2ccccc2)C1=O ZINC000252637300 570455415 /nfs/dbraw/zinc/45/54/15/570455415.db2.gz XRNDXSIDTSRKLO-HNNXBMFYSA-N -1 0 387.848 3.653 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000064472969 570467288 /nfs/dbraw/zinc/46/72/88/570467288.db2.gz VZIKUGUPRDCZTF-UHFFFAOYSA-N -1 0 391.880 3.952 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1 ZINC000237973651 570480132 /nfs/dbraw/zinc/48/01/32/570480132.db2.gz HLZWDWJGUZMFRQ-AWEZNQCLSA-N -1 0 376.453 3.590 50 0 GHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3OC)c2)nn1 ZINC000005204271 570506141 /nfs/dbraw/zinc/50/61/41/570506141.db2.gz XIQMESOUCNCPHY-UHFFFAOYSA-N -1 0 399.472 3.660 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000002792154 570517798 /nfs/dbraw/zinc/51/77/98/570517798.db2.gz CMTGGHKSCOVZGQ-UHFFFAOYSA-N -1 0 379.844 3.833 50 0 GHAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000000729555 570535117 /nfs/dbraw/zinc/53/51/17/570535117.db2.gz PZWGTZHCYVYLRW-NVXWUHKLSA-N -1 0 379.840 3.749 50 0 GHAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000032971123 570555427 /nfs/dbraw/zinc/55/54/27/570555427.db2.gz VVNXMARTSMUWTI-CYBMUJFWSA-N -1 0 392.452 3.561 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000225707850 570607217 /nfs/dbraw/zinc/60/72/17/570607217.db2.gz GPWLKYGZZCIAST-SFHVURJKSA-N -1 0 382.395 3.576 50 0 GHAARM COc1ccccc1[C@H]1CC(c2cccc(Cl)c2)=NN1C(=O)CCC(=O)[O-] ZINC000225848281 570626191 /nfs/dbraw/zinc/62/61/91/570626191.db2.gz LXUUQBMUMFBHGG-QGZVFWFLSA-N -1 0 386.835 3.891 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2CC)cc1OCC ZINC000072312990 570649526 /nfs/dbraw/zinc/64/95/26/570649526.db2.gz FQAOISZXKMOYTM-UHFFFAOYSA-N -1 0 393.461 3.545 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610738 570690611 /nfs/dbraw/zinc/69/06/11/570690611.db2.gz GRSDYVJMYIEISQ-KBPBESRZSA-N -1 0 395.818 3.542 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)COc1ccc(C(C)C)cc1 ZINC000001157997 570712745 /nfs/dbraw/zinc/71/27/45/570712745.db2.gz AHYSXTMXIJVAMF-UHFFFAOYSA-N -1 0 386.473 3.709 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(C(C)C)c2)o1 ZINC000065194119 570725740 /nfs/dbraw/zinc/72/57/40/570725740.db2.gz GNZVDCJTYJPOQA-UHFFFAOYSA-N -1 0 388.493 3.925 50 0 GHAARM CC(=O)NCCc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1F ZINC000058356658 570728850 /nfs/dbraw/zinc/72/88/50/570728850.db2.gz NDIBWMXHEQONCX-UHFFFAOYSA-N -1 0 384.432 3.993 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccccc2Br)c1=O ZINC000065215459 570733969 /nfs/dbraw/zinc/73/39/69/570733969.db2.gz CYHFZEFPOUTJHV-UHFFFAOYSA-N -1 0 393.262 3.803 50 0 GHAARM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC000078752093 570749804 /nfs/dbraw/zinc/74/98/04/570749804.db2.gz OEGBMQXWURLYIW-UHFFFAOYSA-N -1 0 396.827 3.595 50 0 GHAARM Cc1cccc(-c2noc(-c3c([O-])c4cnn(Cc5ccccc5)c4[nH]c3=O)n2)c1 ZINC000065256920 570755673 /nfs/dbraw/zinc/75/56/73/570755673.db2.gz FFPAIAXNQDTSMY-UHFFFAOYSA-N -1 0 399.410 3.504 50 0 GHAARM CCOc1ccc2cc(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)[nH]c2c1 ZINC000236989572 570796571 /nfs/dbraw/zinc/79/65/71/570796571.db2.gz BGOVGYPBNOXPAK-UHFFFAOYSA-N -1 0 392.455 3.825 50 0 GHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000012520875 570827417 /nfs/dbraw/zinc/82/74/17/570827417.db2.gz RAOHUOZHIBAFQS-NSHDSACASA-N -1 0 384.860 3.808 50 0 GHAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(Br)cc1 ZINC000012521166 570827926 /nfs/dbraw/zinc/82/79/26/570827926.db2.gz LUMREVFUFXOWAH-UHFFFAOYSA-N -1 0 378.194 3.851 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 ZINC000033170938 570839190 /nfs/dbraw/zinc/83/91/90/570839190.db2.gz FEHKCZDGUJNZTR-UHFFFAOYSA-N -1 0 393.515 3.939 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(F)c3)c(=O)c1-2 ZINC000007424055 570841200 /nfs/dbraw/zinc/84/12/00/570841200.db2.gz FNADWWJOXQKWCY-UHFFFAOYSA-N -1 0 380.354 3.553 50 0 GHAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccccc1)c2=O ZINC000102492474 570849551 /nfs/dbraw/zinc/84/95/51/570849551.db2.gz OQQBJSLNVDBZCD-UHFFFAOYSA-N -1 0 384.439 3.877 50 0 GHAARM COC[C@](C)(NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)C(=O)[O-] ZINC000170592132 570851256 /nfs/dbraw/zinc/85/12/56/570851256.db2.gz WMGIVLSHMDRMMD-QFIPXVFZSA-N -1 0 398.434 3.513 50 0 GHAARM CCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1 ZINC000033254061 570861746 /nfs/dbraw/zinc/86/17/46/570861746.db2.gz UMUJWPNMQCCFJX-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)c1 ZINC000102820915 570865885 /nfs/dbraw/zinc/86/58/85/570865885.db2.gz QWAVXRGHGOTGSA-MRXNPFEDSA-N -1 0 394.456 3.797 50 0 GHAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004573323 570897620 /nfs/dbraw/zinc/89/76/20/570897620.db2.gz JSSARJZMIKOZJM-RHSMWYFYSA-N -1 0 397.855 3.855 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000104200193 570898073 /nfs/dbraw/zinc/89/80/73/570898073.db2.gz OFBJGKJMVMTULR-PGUXBMHVSA-N -1 0 392.912 3.657 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000046914404 570937009 /nfs/dbraw/zinc/93/70/09/570937009.db2.gz UMFPAWKAIMTFRI-UHFFFAOYSA-N -1 0 380.429 3.841 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000238000622 570944986 /nfs/dbraw/zinc/94/49/86/570944986.db2.gz DSVNADLHHUKLEW-GFCCVEGCSA-N -1 0 388.327 3.937 50 0 GHAARM O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732577 570947270 /nfs/dbraw/zinc/94/72/70/570947270.db2.gz XMHRXIVCEREUPE-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1cc(F)cc(F)c1 ZINC000252483040 570968338 /nfs/dbraw/zinc/96/83/38/570968338.db2.gz DTAVYTSTQVMOGD-UHFFFAOYSA-N -1 0 393.440 3.697 50 0 GHAARM CCCCNC(=O)CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000004793166 570992912 /nfs/dbraw/zinc/99/29/12/570992912.db2.gz YOOOZWBDKMAJSA-UHFFFAOYSA-N -1 0 375.519 3.970 50 0 GHAARM CCCCc1nc2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2[nH]1 ZINC000170659390 571000583 /nfs/dbraw/zinc/00/05/83/571000583.db2.gz HJEGUCJXKJRNSO-UHFFFAOYSA-N -1 0 391.424 3.544 50 0 GHAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000007612590 571001471 /nfs/dbraw/zinc/00/14/71/571001471.db2.gz XTFHMELUMQGOQJ-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM COc1cc(-c2oc3cc(C)oc(=O)c3c2-c2c([O-])oc(C)cc2=O)ccc1O ZINC000888090864 843713494 /nfs/dbraw/zinc/71/34/94/843713494.db2.gz XXMFUAQNGQKEHL-UHFFFAOYSA-N -1 0 396.351 3.710 50 0 GHAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000003277438 862302419 /nfs/dbraw/zinc/30/24/19/862302419.db2.gz DHEYLYPADJBRNO-UHFFFAOYSA-N -1 0 394.412 3.647 50 0 GHAARM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1ccn(CCc2ccncc2)n1 ZINC000067890714 856344698 /nfs/dbraw/zinc/34/46/98/856344698.db2.gz NZFMSQMKUHGXJB-NTEUORMPSA-N -1 0 388.880 3.587 50 0 GHAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000002358036 856418836 /nfs/dbraw/zinc/41/88/36/856418836.db2.gz OFXIOHNQQYTAGU-GPLLRDDGSA-N -1 0 383.425 3.775 50 0 GHAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040286888 856724713 /nfs/dbraw/zinc/72/47/13/856724713.db2.gz NLPYDLSOCFAAEJ-SFHVURJKSA-N -1 0 396.834 3.941 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C(=O)N1CCCC1 ZINC000009684159 857305422 /nfs/dbraw/zinc/30/54/22/857305422.db2.gz FTELYMUGOXHNHS-UHFFFAOYSA-N -1 0 395.912 3.630 50 0 GHAARM O=c1nc(CSc2nnc(C3CC3)n2-c2ccccc2)[n-]c2ccsc21 ZINC000008013801 862999855 /nfs/dbraw/zinc/99/98/55/862999855.db2.gz WQACENSRGSBAOP-UHFFFAOYSA-N -1 0 381.486 3.735 50 0 GHAARM Cc1ccccc1NC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348699 859889240 /nfs/dbraw/zinc/88/92/40/859889240.db2.gz GUGUNYMOWKILAM-UHFFFAOYSA-N -1 0 376.463 3.620 50 0 GHAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCSCc1ccccc1)c2=O ZINC000020643464 860624689 /nfs/dbraw/zinc/62/46/89/860624689.db2.gz ZKWDOFWYQVMWSC-UHFFFAOYSA-N -1 0 386.498 3.779 50 0 GHAARM Cc1nc(Nc2ccc(C(=O)[O-])cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000096564609 860984673 /nfs/dbraw/zinc/98/46/73/860984673.db2.gz QKVHRLWKNHVXRK-UHFFFAOYSA-N -1 0 379.376 3.903 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1OC(F)F)CC3 ZINC000033782332 885905865 /nfs/dbraw/zinc/90/58/65/885905865.db2.gz CWIFLTRLZXUFCU-XFXZXTDPSA-N -1 0 384.338 3.640 50 0 GHAARM Cc1ccc(N2C(=O)C(=CNc3ccccc3C(C)C)C(=O)[N-]C2=S)cc1 ZINC000263630247 888865617 /nfs/dbraw/zinc/86/56/17/888865617.db2.gz QHORFMDPEIHYQS-QGZVFWFLSA-N -1 0 379.485 3.885 50 0 GHAARM CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000217838431 894545637 /nfs/dbraw/zinc/54/56/37/894545637.db2.gz CRSPXDCVZBOAIV-OAHLLOKOSA-N -1 0 392.363 3.994 50 0 biogenic GHAARM Cc1ccc(-n2[n-]c(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 ZINC000189237961 905047481 /nfs/dbraw/zinc/04/74/81/905047481.db2.gz FCJZFYJICFGFAW-INIZCTEOSA-N -1 0 389.377 3.550 50 0 GHAARM O=C([O-])c1cnn(-c2ccc(NC(=O)C(C3CC3)C3CC3)cc2)c1C(F)(F)F ZINC000190927987 906449585 /nfs/dbraw/zinc/44/95/85/906449585.db2.gz ZJAATTCRNAQUGP-UHFFFAOYSA-N -1 0 393.365 3.964 50 0 GHAARM CN(c1ccccc1F)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000078732697 923468675 /nfs/dbraw/zinc/46/86/75/923468675.db2.gz DPHCCCZHFNDSFC-UHFFFAOYSA-N -1 0 378.208 3.656 50 0 GHAARM Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)ccc1O ZINC000426701434 231253796 /nfs/dbraw/zinc/25/37/96/231253796.db2.gz OKCSWPYGLGLJHY-LTMIRXACSA-N -1 0 379.456 3.811 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000000669625 206314303 /nfs/dbraw/zinc/31/43/03/206314303.db2.gz IZTOXBAVGARGNF-DLBZAZTESA-N -1 0 399.497 3.686 50 0 GHAARM CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000791365 206322210 /nfs/dbraw/zinc/32/22/10/206322210.db2.gz UPJBGXIOQMQQJO-UHFFFAOYSA-N -1 0 394.383 3.640 50 0 GHAARM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000850263 206328264 /nfs/dbraw/zinc/32/82/64/206328264.db2.gz GSQLMPWOXGTXKP-UHFFFAOYSA-N -1 0 387.486 3.515 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)cc1OC ZINC000000890362 206331934 /nfs/dbraw/zinc/33/19/34/206331934.db2.gz RIFZUSGVPPRSQG-SFHVURJKSA-N -1 0 396.443 3.636 50 0 GHAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000001002286 206340471 /nfs/dbraw/zinc/34/04/71/206340471.db2.gz FARWYGVJXXNMDN-HZPDHXFCSA-N -1 0 375.856 3.723 50 0 GHAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1Cl ZINC000001045070 206345860 /nfs/dbraw/zinc/34/58/60/206345860.db2.gz RUEOEXBUCHTDSB-HNNXBMFYSA-N -1 0 375.833 3.771 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1cccs1 ZINC000003169201 206460433 /nfs/dbraw/zinc/46/04/33/206460433.db2.gz IRLKOZCJVOYKRA-UHFFFAOYSA-N -1 0 398.469 3.941 50 0 GHAARM Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000014706704 207026780 /nfs/dbraw/zinc/02/67/80/207026780.db2.gz JRNHMQFPZRMPSR-UHFFFAOYSA-N -1 0 396.497 3.920 50 0 GHAARM O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccccc1C(F)(F)F ZINC000014869141 207031388 /nfs/dbraw/zinc/03/13/88/207031388.db2.gz KPNIQUIOZIZCEY-UHFFFAOYSA-N -1 0 381.278 3.828 50 0 GHAARM O=C([O-])CSc1nnc(CCSCc2ccccc2)n1Cc1ccccc1 ZINC000015838466 207063130 /nfs/dbraw/zinc/06/31/30/207063130.db2.gz RBDBLQYPJSKDIH-UHFFFAOYSA-N -1 0 399.541 3.979 50 0 GHAARM CCCOc1ccc(Cc2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000015838449 207063430 /nfs/dbraw/zinc/06/34/30/207063430.db2.gz YMOFBOVWKGHXCA-UHFFFAOYSA-N -1 0 383.473 3.824 50 0 GHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(N)=O)C1 ZINC000017080679 207084762 /nfs/dbraw/zinc/08/47/62/207084762.db2.gz CEBHSFYVSPKFPS-VXGBXAGGSA-N -1 0 394.537 3.828 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079252 207084160 /nfs/dbraw/zinc/08/41/60/207084160.db2.gz KISDBMBYSNAQGR-RYUDHWBXSA-N -1 0 388.420 3.745 50 0 GHAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccccc2)c3=O)cc1OC ZINC000018058944 207093120 /nfs/dbraw/zinc/09/31/20/207093120.db2.gz XOXAJDQLEISSGE-UHFFFAOYSA-N -1 0 389.455 3.914 50 0 GHAARM O=C([O-])CCCCCNC(=O)CCn1ccc2ccc(Br)cc21 ZINC000020727907 207211940 /nfs/dbraw/zinc/21/19/40/207211940.db2.gz LHDJPINZOWMYNK-UHFFFAOYSA-N -1 0 381.270 3.555 50 0 GHAARM COc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020745206 207213337 /nfs/dbraw/zinc/21/33/37/207213337.db2.gz ZZDBJRDRKUCNTB-FQEVSTJZSA-N -1 0 399.878 3.778 50 0 GHAARM O=Cc1ccc(O/C(=C(/NC(=O)c2ccccc2)C(=O)[O-])c2ccccc2)cc1 ZINC000027026739 207322097 /nfs/dbraw/zinc/32/20/97/207322097.db2.gz JPJQYLABEATANA-QZQOTICOSA-N -1 0 387.391 3.761 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)cc1Br ZINC000032601612 207398364 /nfs/dbraw/zinc/39/83/64/207398364.db2.gz HTPOIGVSLUXDLG-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)C1 ZINC000299743219 207658488 /nfs/dbraw/zinc/65/84/88/207658488.db2.gz KCFOUTRJVOKSKR-VBNZEHGJSA-N -1 0 380.282 3.656 50 0 GHAARM COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3ccccc3F)c21 ZINC000061720548 207788541 /nfs/dbraw/zinc/78/85/41/207788541.db2.gz QDZPCPDKGKVJRY-CYBMUJFWSA-N -1 0 380.375 3.797 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2ccc3nc(C)sc3c2)sc1CC(C)C ZINC000079477306 208075786 /nfs/dbraw/zinc/07/57/86/208075786.db2.gz OPGIAAQYLHGYSG-UHFFFAOYSA-N -1 0 389.502 3.721 50 0 GHAARM CCOC(=O)c1csc(=NC(=O)c2nc(C)sc2-c2cccc(F)c2)[n-]1 ZINC000079481816 208075860 /nfs/dbraw/zinc/07/58/60/208075860.db2.gz RLYTVKARVNWOGJ-UHFFFAOYSA-N -1 0 391.449 3.565 50 0 GHAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCC(O)CC1 ZINC000091693029 208133014 /nfs/dbraw/zinc/13/30/14/208133014.db2.gz LDKHGFYFIBBLAC-XFMWISLNSA-N -1 0 395.455 3.529 50 0 GHAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095383321 208172436 /nfs/dbraw/zinc/17/24/36/208172436.db2.gz VXHYTWUSCVCFPB-IBGZPJMESA-N -1 0 389.455 3.805 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nnc(C2CC2)o1 ZINC000096379661 208313295 /nfs/dbraw/zinc/31/32/95/208313295.db2.gz BWYWEMTWHZIKCE-UHFFFAOYSA-N -1 0 394.403 3.638 50 0 GHAARM Cc1cc(C)n(C(=O)c2sccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000096511579 208319581 /nfs/dbraw/zinc/31/95/81/208319581.db2.gz ONURMHRDFPDIGE-UHFFFAOYSA-N -1 0 395.893 3.704 50 0 GHAARM COC(=O)c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000096759023 208321688 /nfs/dbraw/zinc/32/16/88/208321688.db2.gz MPPNYNWVLTVRRV-RIYZIHGNSA-N -1 0 384.775 3.557 50 0 GHAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C)s2)c1=O ZINC000100512730 208377249 /nfs/dbraw/zinc/37/72/49/208377249.db2.gz BQYPKCVSAWKEJF-UHFFFAOYSA-N -1 0 386.477 3.700 50 0 GHAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101168127 208386508 /nfs/dbraw/zinc/38/65/08/208386508.db2.gz DNBUATFXBNGHIX-HUUCEWRRSA-N -1 0 393.205 3.626 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3s2)c1=O ZINC000100498562 208376059 /nfs/dbraw/zinc/37/60/59/208376059.db2.gz RCOBBSHPDHOQCW-UHFFFAOYSA-N -1 0 379.441 3.979 50 0 GHAARM O=C(c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1)N1CCCC1 ZINC000101282302 208390245 /nfs/dbraw/zinc/39/02/45/208390245.db2.gz XZVOTZWLPUOBJG-UHFFFAOYSA-N -1 0 392.846 3.708 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690158 208797140 /nfs/dbraw/zinc/79/71/40/208797140.db2.gz DNIVMLGDZJVAFY-ZQIUZPCESA-N -1 0 386.521 3.566 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000225481726 208955921 /nfs/dbraw/zinc/95/59/21/208955921.db2.gz WWBKFFVITMIRMW-LEWJYISDSA-N -1 0 375.424 3.619 50 0 GHAARM Cc1cc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c(C)c1 ZINC000016112150 221357405 /nfs/dbraw/zinc/35/74/05/221357405.db2.gz JKCIWDTVIFDQAT-UHFFFAOYSA-N -1 0 396.487 3.574 50 0 GHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000065183833 222107065 /nfs/dbraw/zinc/10/70/65/222107065.db2.gz RRRMKCTUQYPHMD-UHFFFAOYSA-N -1 0 384.914 3.985 50 0 GHAARM CC(C)c1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000065184039 222107910 /nfs/dbraw/zinc/10/79/10/222107910.db2.gz JBYRBWPOMDJEPO-UHFFFAOYSA-N -1 0 382.486 3.978 50 0 GHAARM Cc1sc2ncn([C@H](C)C(=O)[O-])c(=O)c2c1-c1ccc(Br)cc1 ZINC000000958732 570231968 /nfs/dbraw/zinc/23/19/68/570231968.db2.gz LNZHMSYCDMZGSJ-MRVPVSSYSA-N -1 0 393.262 3.842 50 0 GHAARM CC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2O)CCCC3)c2ccc(F)cc2C1 ZINC000185689262 570250105 /nfs/dbraw/zinc/25/01/05/570250105.db2.gz RYSWNAUJFVOJCY-NRFANRHFSA-N -1 0 396.462 3.633 50 0 GHAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2)CC(=O)N3)c1 ZINC000049543363 570268358 /nfs/dbraw/zinc/26/83/58/570268358.db2.gz PAXHOVIRMBAOQT-HNNXBMFYSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM COc1c(Br)cc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012905554 570289857 /nfs/dbraw/zinc/28/98/57/570289857.db2.gz BEEQIUSMHODJIP-UHFFFAOYSA-N -1 0 378.194 3.537 50 0 GHAARM CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000003000193 570325485 /nfs/dbraw/zinc/32/54/85/570325485.db2.gz AVIBCKHMVUPLKD-UHFFFAOYSA-N -1 0 386.473 3.999 50 0 GHAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)c1ccc(Cl)cc1 ZINC000004853709 570348419 /nfs/dbraw/zinc/34/84/19/570348419.db2.gz UOCVMCKISGCZOO-UHFFFAOYSA-N -1 0 384.841 3.565 50 0 GHAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000035405160 570351757 /nfs/dbraw/zinc/35/17/57/570351757.db2.gz YDBFAFDUBNZKFJ-UHFFFAOYSA-N -1 0 378.519 3.737 50 0 GHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1)c1ccco1 ZINC000023397292 570360513 /nfs/dbraw/zinc/36/05/13/570360513.db2.gz RIDJMAJJFBSRTR-UHFFFAOYSA-N -1 0 396.346 3.750 50 0 GHAARM O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 ZINC000004912666 570364955 /nfs/dbraw/zinc/36/49/55/570364955.db2.gz NJFDYXSROPTPFM-CUQFQEKKSA-N -1 0 399.878 3.876 50 0 GHAARM Cc1nc(-c2ccccc2Cl)sc1C[N-]S(=O)(=O)c1c(C)noc1C ZINC000090593339 570381470 /nfs/dbraw/zinc/38/14/70/570381470.db2.gz QLPBORCGMGNYBK-UHFFFAOYSA-N -1 0 397.909 3.855 50 0 GHAARM Cc1nc(COc2cccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2)cs1 ZINC000237762028 570395010 /nfs/dbraw/zinc/39/50/10/570395010.db2.gz PMBRDWUECMNXCG-KRWDZBQOSA-N -1 0 388.489 3.890 50 0 GHAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SC(C)C)s3)no2)cc1 ZINC000011916064 570447151 /nfs/dbraw/zinc/44/71/51/570447151.db2.gz BVUBAVDTXGRRDR-UHFFFAOYSA-N -1 0 376.463 3.955 50 0 GHAARM Cc1nc(S(=O)(=O)[N-]c2ccc3nc(SCC(C)C)sc3c2)cn1C ZINC000064747854 570532545 /nfs/dbraw/zinc/53/25/45/570532545.db2.gz PWZIPQUZXADJPU-UHFFFAOYSA-N -1 0 396.563 3.887 50 0 GHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1C ZINC000064863281 570572001 /nfs/dbraw/zinc/57/20/01/570572001.db2.gz GFAYYLXBCOOJAD-UHFFFAOYSA-N -1 0 378.494 3.743 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000225481766 570578607 /nfs/dbraw/zinc/57/86/07/570578607.db2.gz WWBKFFVITMIRMW-NHCUHLMSSA-N -1 0 375.424 3.619 50 0 GHAARM CCc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c1 ZINC000064919795 570591022 /nfs/dbraw/zinc/59/10/22/570591022.db2.gz CSBJHWWDLDUQIK-UHFFFAOYSA-N -1 0 392.546 3.666 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)cc1Cl ZINC000064920068 570591136 /nfs/dbraw/zinc/59/11/36/570591136.db2.gz RUQLNPHRLYTGNX-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM Cc1nc2ccc(OCc3ccccc3)cc2c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000012408338 570654798 /nfs/dbraw/zinc/65/47/98/570654798.db2.gz IGRYFDGXDLWAIQ-UHFFFAOYSA-N -1 0 386.407 3.971 50 0 GHAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1cccs1 ZINC000013571956 570657912 /nfs/dbraw/zinc/65/79/12/570657912.db2.gz AKFDWCOYHAWCCH-UHFFFAOYSA-N -1 0 395.307 3.684 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314697 570662946 /nfs/dbraw/zinc/66/29/46/570662946.db2.gz QEWVHDUFNFLFDO-LJQANCHMSA-N -1 0 388.427 3.562 50 0 GHAARM COc1ccccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416042 570669945 /nfs/dbraw/zinc/66/99/45/570669945.db2.gz QGVDLKKLASHLDE-UHFFFAOYSA-N -1 0 386.407 3.957 50 0 GHAARM O=C(Cc1ccccc1)NC([N-]c1nccs1)(C(F)(F)F)C(F)(F)F ZINC000000978343 570742531 /nfs/dbraw/zinc/74/25/31/570742531.db2.gz DQBIPTGTEZJHIG-UHFFFAOYSA-N -1 0 383.317 3.735 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246418 570747570 /nfs/dbraw/zinc/74/75/70/570747570.db2.gz JCISIXCWERQNME-UHFFFAOYSA-N -1 0 389.433 3.715 50 0 GHAARM Cc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(Cl)cc3)c2[nH]c1=O ZINC000065249996 570748809 /nfs/dbraw/zinc/74/88/09/570748809.db2.gz WCXFTLLPEQQERC-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000032754923 570797790 /nfs/dbraw/zinc/79/77/90/570797790.db2.gz RISDRYDBYHCCTF-UHFFFAOYSA-N -1 0 384.860 3.762 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000033114706 570813196 /nfs/dbraw/zinc/81/31/96/570813196.db2.gz NDXJMMADIJLPDS-JKSUJKDBSA-N -1 0 388.349 3.820 50 0 GHAARM CCn1c(=O)c(-c2nc(-c3ccc(OC)c(F)c3)no2)c([O-])c2ccccc21 ZINC000101725417 570831243 /nfs/dbraw/zinc/83/12/43/570831243.db2.gz HUOJGDNXNNWMJR-UHFFFAOYSA-N -1 0 381.363 3.592 50 0 GHAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000003623802 570878669 /nfs/dbraw/zinc/87/86/69/570878669.db2.gz ITKXYKNEUSYDAQ-SFHVURJKSA-N -1 0 391.851 3.838 50 0 GHAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(F)(F)F)c1 ZINC000042792753 570893365 /nfs/dbraw/zinc/89/33/65/570893365.db2.gz PUHYJWCPWGTRFQ-UHFFFAOYSA-N -1 0 389.351 3.521 50 0 GHAARM Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1NC(=O)CCC(=O)[O-] ZINC000013578918 570898900 /nfs/dbraw/zinc/89/89/00/570898900.db2.gz OJPXPVKRIYMWNK-CQSZACIVSA-N -1 0 386.473 3.918 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000237968011 570945333 /nfs/dbraw/zinc/94/53/33/570945333.db2.gz SOZTYWHKJMXWCU-NSHDSACASA-N -1 0 379.254 3.647 50 0 GHAARM O=S(=O)([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccnc2)cc1 ZINC000004531809 570949732 /nfs/dbraw/zinc/94/97/32/570949732.db2.gz WQZFKVVTERJXOR-HXUWFJFHSA-N -1 0 379.441 3.684 50 0 GHAARM CN1C(=O)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@H]1c1ccccc1 ZINC000106570573 570965612 /nfs/dbraw/zinc/96/56/12/570965612.db2.gz SYNNHNSRVKJSLG-JJRVBVJISA-N -1 0 398.406 3.536 50 0 GHAARM CCN(CCCNC(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1cccc(C)c1 ZINC000004766943 570972053 /nfs/dbraw/zinc/97/20/53/570972053.db2.gz ZNWIQWPMEHXIIX-UHFFFAOYSA-N -1 0 393.487 3.750 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000007726650 571024611 /nfs/dbraw/zinc/02/46/11/571024611.db2.gz DKCVSGNAZPJLIG-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000247392555 571039836 /nfs/dbraw/zinc/03/98/36/571039836.db2.gz LOWRMFOZCMJCQZ-ARGWCVDVSA-N -1 0 382.847 3.981 50 0 GHAARM CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1ccccc1OC ZINC000003028510 862124095 /nfs/dbraw/zinc/12/40/95/862124095.db2.gz IYQGTJWDLAMAKB-DYESRHJHSA-N -1 0 378.428 3.514 50 0 GHAARM O=S(=O)([N-]c1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1Cl ZINC000031722868 862668296 /nfs/dbraw/zinc/66/82/96/862668296.db2.gz DHAWKJOMUJQPIK-UHFFFAOYSA-N -1 0 399.921 3.857 50 0 GHAARM Cc1ccsc1-c1nc(=NC(=O)N(C)CC2(O)CCCCCC2)s[n-]1 ZINC000330255095 862697825 /nfs/dbraw/zinc/69/78/25/862697825.db2.gz PLQSNCKFWVRNOM-UHFFFAOYSA-N -1 0 380.539 3.546 50 0 GHAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc2ccccc2c1 ZINC000008132225 856000161 /nfs/dbraw/zinc/00/01/61/856000161.db2.gz AYYIUMSYTZCKGI-UHFFFAOYSA-N -1 0 384.848 3.875 50 0 GHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000009089897 856769052 /nfs/dbraw/zinc/76/90/52/856769052.db2.gz YMLQUSULRKRLFJ-UWJYYQICSA-N -1 0 395.846 3.975 50 0 GHAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000009111122 856803071 /nfs/dbraw/zinc/80/30/71/856803071.db2.gz RSXIDLYXCCLFOH-ISLYRVAYSA-N -1 0 385.464 3.572 50 0 GHAARM CCCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc(=O)c2sccc2[nH]1 ZINC000009458398 857204051 /nfs/dbraw/zinc/20/40/51/857204051.db2.gz FCRWZVDBDWLQSI-UHFFFAOYSA-N -1 0 379.441 3.800 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc(OC)c1 ZINC000009686659 857305874 /nfs/dbraw/zinc/30/58/74/857305874.db2.gz AJBWNLIBCQDIDD-UHFFFAOYSA-N -1 0 393.490 3.573 50 0 GHAARM COC1([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CCC1 ZINC000521396607 865038599 /nfs/dbraw/zinc/03/85/99/865038599.db2.gz RVWCVNQNJUZGPJ-IBGZPJMESA-N -1 0 381.428 3.547 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(F)c(F)c2)CC(=O)N3)c1 ZINC000066087488 878048692 /nfs/dbraw/zinc/04/86/92/878048692.db2.gz ZRSUNXHJFMGPBJ-AWEZNQCLSA-N -1 0 398.365 3.936 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237768127 885050949 /nfs/dbraw/zinc/05/09/49/885050949.db2.gz OGBSYEUSNJNVAD-ZDUSSCGKSA-N -1 0 393.846 3.690 50 0 GHAARM Cn1ccnc1[C@H]1OCCC[C@@H]1N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000585083215 897072532 /nfs/dbraw/zinc/07/25/32/897072532.db2.gz BTRYQQNQTIMOTE-KBPBESRZSA-N -1 0 394.262 3.531 50 0 GHAARM O=C([O-])[C@H](Cc1nccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044320619 899416239 /nfs/dbraw/zinc/41/62/39/899416239.db2.gz HBHYBVLFMJXMIX-SFHVURJKSA-N -1 0 394.452 3.678 50 0 GHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2[n-]c1=S ZINC000016597920 210191554 /nfs/dbraw/zinc/19/15/54/210191554.db2.gz JIUFTYYFERYVSA-UHFFFAOYSA-N -1 0 383.473 3.656 50 0 GHAARM CCc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000015781938 210169620 /nfs/dbraw/zinc/16/96/20/210169620.db2.gz FPFVWMALGZFWKL-SFHVURJKSA-N -1 0 398.459 3.872 50 0 GHAARM COc1ccc(-n2c3n[n-]c(=S)n3c3sc4c(c3c2=O)CCCC4)cc1 ZINC000013154426 210053723 /nfs/dbraw/zinc/05/37/23/210053723.db2.gz SOBTUGIRQVZWEC-UHFFFAOYSA-N -1 0 384.486 3.645 50 0 GHAARM CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nc(CC(=O)[O-])cs2)cc1 ZINC000012920772 210030430 /nfs/dbraw/zinc/03/04/30/210030430.db2.gz VIHKBYKUXNUFLJ-CYBMUJFWSA-N -1 0 392.546 3.938 50 0 GHAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000005684025 209609694 /nfs/dbraw/zinc/60/96/94/209609694.db2.gz NATPUZKRPKSFQF-UHFFFAOYSA-N -1 0 388.829 3.609 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003886932 209456542 /nfs/dbraw/zinc/45/65/42/209456542.db2.gz NVHWFSUIZAQYPP-KXDMBUCYSA-N -1 0 391.533 3.758 50 0 GHAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103602 209412057 /nfs/dbraw/zinc/41/20/57/209412057.db2.gz GAHFNPYQQWTCBG-HNNXBMFYSA-N -1 0 390.745 3.597 50 0 GHAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002486544 209366288 /nfs/dbraw/zinc/36/62/88/209366288.db2.gz DHAOJRGMBAQRMU-LLVKDONJSA-N -1 0 381.494 3.879 50 0 GHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1Cl ZINC000002472501 209366121 /nfs/dbraw/zinc/36/61/21/209366121.db2.gz JCMVSVKBDLONRR-YOEHRIQHSA-N -1 0 379.865 3.716 50 0 GHAARM COc1cc2[n-]c(=S)n(CCc3c[nH]c4ccccc34)c(=O)c2cc1OC ZINC000002232900 209350842 /nfs/dbraw/zinc/35/08/42/209350842.db2.gz MIPQBKNPOWBVPD-UHFFFAOYSA-N -1 0 381.457 3.800 50 0 GHAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103935 209346882 /nfs/dbraw/zinc/34/68/82/209346882.db2.gz IAIBVCIXXTYFKN-KRWDZBQOSA-N -1 0 399.443 3.685 50 0 biogenic GHAARM CCOC(=O)c1c([N-]S(=O)(=O)Cc2ccccc2)sc2c1CCCC2 ZINC000001138015 209304578 /nfs/dbraw/zinc/30/45/78/209304578.db2.gz ZCZPRGVPKCAUNM-UHFFFAOYSA-N -1 0 379.503 3.746 50 0 GHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000001028118 209290663 /nfs/dbraw/zinc/29/06/63/209290663.db2.gz SLYOLNWBFPMYGL-UHFFFAOYSA-N -1 0 375.306 3.842 50 0 GHAARM O=C([O-])/C(=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000096792191 209242371 /nfs/dbraw/zinc/24/23/71/209242371.db2.gz KUBVSZWMHTUISS-SDNWHVSQSA-N -1 0 397.905 3.811 50 0 GHAARM O=C([O-])CCN1C(=O)c2ccccc2/C(=C\c2ccc(C(F)(F)F)cc2)C1=O ZINC000096889696 209241648 /nfs/dbraw/zinc/24/16/48/209241648.db2.gz ISGHVQCUOVHWAL-LFIBNONCSA-N -1 0 389.329 3.703 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000013185150 209164583 /nfs/dbraw/zinc/16/45/83/209164583.db2.gz YLROHNNBQREDNZ-UHFFFAOYSA-N -1 0 377.362 3.964 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCCOc2ccccc2F)CC1 ZINC000238000649 211476805 /nfs/dbraw/zinc/47/68/05/211476805.db2.gz KWVCXYPVMZRANX-UHFFFAOYSA-N -1 0 385.435 3.630 50 0 GHAARM O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101359498 211397701 /nfs/dbraw/zinc/39/77/01/211397701.db2.gz WSMQNLKUIRGZOC-DZGCQCFKSA-N -1 0 395.629 3.939 50 0 GHAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1 ZINC000101298518 211396842 /nfs/dbraw/zinc/39/68/42/211396842.db2.gz PRDZRJHKZIXXBE-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM C[C@H]1Sc2ccc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2NC1=O ZINC000095970785 211288794 /nfs/dbraw/zinc/28/87/94/211288794.db2.gz XUSUPNIEENXOQK-LLVKDONJSA-N -1 0 384.457 3.734 50 0 GHAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCOc1ccc(F)cc1F ZINC000095425247 211238722 /nfs/dbraw/zinc/23/87/22/211238722.db2.gz JQYDNDGFCMVMDY-UHFFFAOYSA-N -1 0 379.359 3.534 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2cccc3c2ccn3C)sc1-c1ccccc1 ZINC000095474594 211247188 /nfs/dbraw/zinc/24/71/88/211247188.db2.gz YVUYJSNYEWRDPV-UHFFFAOYSA-N -1 0 391.452 3.763 50 0 GHAARM Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cc2sc(N)nc21 ZINC000095379920 211232933 /nfs/dbraw/zinc/23/29/33/211232933.db2.gz DQUBSTWXNBIBDS-HNNXBMFYSA-N -1 0 395.484 3.905 50 0 GHAARM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000078241800 211147852 /nfs/dbraw/zinc/14/78/52/211147852.db2.gz XZETZDNOEMFKGC-UHFFFAOYSA-N -1 0 382.171 3.771 50 0 GHAARM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000071827917 211064654 /nfs/dbraw/zinc/06/46/54/211064654.db2.gz XUEBPBYVLKEAPJ-DZGCQCFKSA-N -1 0 387.361 3.883 50 0 GHAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc2ccccc21 ZINC000069421346 211038069 /nfs/dbraw/zinc/03/80/69/211038069.db2.gz KLWPDFXRHQNXEJ-GFCCVEGCSA-N -1 0 375.453 3.856 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)cc1C ZINC000090607757 211037139 /nfs/dbraw/zinc/03/71/39/211037139.db2.gz YDKMPSUPBBHWRO-UHFFFAOYSA-N -1 0 389.408 3.526 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000068351892 211032879 /nfs/dbraw/zinc/03/28/79/211032879.db2.gz RQJARZSAMVURIS-CVEARBPZSA-N -1 0 386.835 3.920 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000040309579 210784751 /nfs/dbraw/zinc/78/47/51/210784751.db2.gz BTRMWWXHEANDJQ-QFIPXVFZSA-N -1 0 397.434 3.723 50 0 biogenic GHAARM Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3nc[n-]c3n2)c1 ZINC000021147891 210378880 /nfs/dbraw/zinc/37/88/80/210378880.db2.gz WAEOACFLMNNZGV-UHFFFAOYSA-N -1 0 391.456 3.683 50 0 GHAARM Cc1cc(C)c2c(nn3c2nc(-c2ccc(OC(F)F)cc2)cc3C(=O)[O-])n1 ZINC000020616021 210353743 /nfs/dbraw/zinc/35/37/43/210353743.db2.gz UPGQPAXDSYTMHZ-UHFFFAOYSA-N -1 0 384.342 3.861 50 0 GHAARM CC(C)c1ccc(N2CCN(c3ccc(NC(=O)CCC(=O)[O-])cc3)CC2)cc1 ZINC000000627275 136192850 /nfs/dbraw/zinc/19/28/50/136192850.db2.gz FIFXBQCFRXGLAF-UHFFFAOYSA-N -1 0 395.503 3.940 50 0 GHAARM O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000000631507 570278561 /nfs/dbraw/zinc/27/85/61/570278561.db2.gz YKNUSIQGYUYDGY-UHFFFAOYSA-N -1 0 390.848 3.664 50 0 GHAARM CC(C)Oc1cccc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[n-]2)c1 ZINC000034764470 570333014 /nfs/dbraw/zinc/33/30/14/570333014.db2.gz ADODHVMRYZSPDB-UHFFFAOYSA-N -1 0 398.507 3.661 50 0 GHAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)cc1 ZINC000034763565 570333233 /nfs/dbraw/zinc/33/32/33/570333233.db2.gz PVKCWUNWGUEWKN-OAHLLOKOSA-N -1 0 398.507 3.803 50 0 GHAARM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003319621 570338618 /nfs/dbraw/zinc/33/86/18/570338618.db2.gz WVDLZZKKFXTBSX-UHFFFAOYSA-N -1 0 387.379 3.684 50 0 GHAARM CCOc1cc(C=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000004658935 570390024 /nfs/dbraw/zinc/39/00/24/570390024.db2.gz NPGKKFUWDUPIBN-UHFFFAOYSA-N -1 0 379.206 3.938 50 0 GHAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000033253998 570403320 /nfs/dbraw/zinc/40/33/20/570403320.db2.gz CXMMGRVCPOGPSG-UHFFFAOYSA-N -1 0 376.478 3.812 50 0 GHAARM Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)n2)cc1 ZINC000004840501 570410412 /nfs/dbraw/zinc/41/04/12/570410412.db2.gz VFGWZTVBLVRQEB-UHFFFAOYSA-N -1 0 398.271 3.830 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000005094744 570428865 /nfs/dbraw/zinc/42/88/65/570428865.db2.gz IMTSCXFDHZSDIB-OSRDXIQISA-N -1 0 393.505 3.870 50 0 GHAARM CCOc1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1OCC(=O)[O-] ZINC000268885919 570440215 /nfs/dbraw/zinc/44/02/15/570440215.db2.gz GMSUYHHKBACVIQ-HNNXBMFYSA-N -1 0 375.446 3.588 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000028260292 570453743 /nfs/dbraw/zinc/45/37/43/570453743.db2.gz NAFPLCAQYBHPQU-UHFFFAOYSA-N -1 0 381.475 3.657 50 0 GHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006146466 570470011 /nfs/dbraw/zinc/47/00/11/570470011.db2.gz TUXRNCCVRMVYMG-UHFFFAOYSA-N -1 0 396.468 3.889 50 0 GHAARM O=C([O-])C[C@H](NC(=O)c1csc(C2CC2)n1)c1cccc(Br)c1 ZINC000138009072 570485004 /nfs/dbraw/zinc/48/50/04/570485004.db2.gz LKAPKLKXYULNFM-LBPRGKRZSA-N -1 0 395.278 3.729 50 0 GHAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000000729554 570535126 /nfs/dbraw/zinc/53/51/26/570535126.db2.gz PZWGTZHCYVYLRW-WBVHZDCISA-N -1 0 379.840 3.749 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1 ZINC000032962064 570542601 /nfs/dbraw/zinc/54/26/01/570542601.db2.gz GOLCYBXYCFEDFO-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc(OC)c1 ZINC000064844983 570564575 /nfs/dbraw/zinc/56/45/75/570564575.db2.gz RWWBEOQVERQNEH-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1cc(F)ccc1Cl ZINC000225529226 570584416 /nfs/dbraw/zinc/58/44/16/570584416.db2.gz VYSWLVRFEJEEHJ-UHFFFAOYSA-N -1 0 390.814 3.861 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003847 570644115 /nfs/dbraw/zinc/64/41/15/570644115.db2.gz CIUBQKIGQVIVIQ-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cc(Cl)sc1Cl ZINC000058308504 570648633 /nfs/dbraw/zinc/64/86/33/570648633.db2.gz PFXRLKSETQXOJE-UHFFFAOYSA-N -1 0 392.285 3.895 50 0 GHAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1 ZINC000005602729 570668121 /nfs/dbraw/zinc/66/81/21/570668121.db2.gz VPYXJMJSWPBYBL-ZDUSSCGKSA-N -1 0 376.478 3.968 50 0 GHAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000006887606 570682202 /nfs/dbraw/zinc/68/22/02/570682202.db2.gz VSLSYRCQONQPGP-UHFFFAOYSA-N -1 0 378.494 3.545 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000006887683 570682221 /nfs/dbraw/zinc/68/22/21/570682221.db2.gz SRNJVOWZNDMJNJ-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccncc3)n2)cc1)c1cccs1 ZINC000033122926 570815217 /nfs/dbraw/zinc/81/52/17/570815217.db2.gz DTKSWVDMBVWVNZ-UHFFFAOYSA-N -1 0 384.442 3.661 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000012521157 570827991 /nfs/dbraw/zinc/82/79/91/570827991.db2.gz GQYIWCFLWVLEOM-UHFFFAOYSA-N -1 0 389.429 3.617 50 0 GHAARM CCc1ccc(CNC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000101723490 570830316 /nfs/dbraw/zinc/83/03/16/570830316.db2.gz XTQREZDIVAEXQK-UHFFFAOYSA-N -1 0 399.450 3.584 50 0 GHAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1Cl ZINC000101802847 570835194 /nfs/dbraw/zinc/83/51/94/570835194.db2.gz JYFOZKLRMWKFJW-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2Cn2cccn2)c1 ZINC000032833793 570845933 /nfs/dbraw/zinc/84/59/33/570845933.db2.gz DTUNNYVAVOFHOM-UHFFFAOYSA-N -1 0 378.457 3.589 50 0 GHAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000012552555 570856133 /nfs/dbraw/zinc/85/61/33/570856133.db2.gz ZZQBYHNFFFUEON-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C ZINC000007505212 570860206 /nfs/dbraw/zinc/86/02/06/570860206.db2.gz JAJZLGRFURUZLF-UHFFFAOYSA-N -1 0 384.457 3.627 50 0 GHAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253554 570861515 /nfs/dbraw/zinc/86/15/15/570861515.db2.gz IOMORKVSVSUFBG-UHFFFAOYSA-N -1 0 376.478 3.812 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[n-]c1=S ZINC000102828625 570866354 /nfs/dbraw/zinc/86/63/54/570866354.db2.gz GXVUYDLMNYCMOJ-UHFFFAOYSA-N -1 0 377.828 3.750 50 0 GHAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144228 570928505 /nfs/dbraw/zinc/92/85/05/570928505.db2.gz IQSWARWUUVMLHU-RWSFTLGLSA-N -1 0 392.912 3.657 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000238065322 570945168 /nfs/dbraw/zinc/94/51/68/570945168.db2.gz APMDUCPYGWQCIW-DLBZAZTESA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)C1 ZINC000238021128 570945291 /nfs/dbraw/zinc/94/52/91/570945291.db2.gz BZXQNFYRNQRDEQ-CYBMUJFWSA-N -1 0 395.381 3.608 50 0 GHAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002107695 570948573 /nfs/dbraw/zinc/94/85/73/570948573.db2.gz VCMISQJOXUCMEQ-QGZVFWFLSA-N -1 0 399.443 3.848 50 0 biogenic GHAARM O=C([O-])Cc1ccccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170675939 571008558 /nfs/dbraw/zinc/00/85/58/571008558.db2.gz LQYDZFCBCGJBTO-UHFFFAOYSA-N -1 0 391.305 3.635 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000084699977 571031416 /nfs/dbraw/zinc/03/14/16/571031416.db2.gz NPJSUNMZCQJNNW-UHFFFAOYSA-N -1 0 394.518 3.572 50 0 GHAARM CC(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043619 862140903 /nfs/dbraw/zinc/14/09/03/862140903.db2.gz OSJFWYMPCABMBG-UHFFFAOYSA-N -1 0 387.892 3.899 50 0 GHAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000169793885 862392092 /nfs/dbraw/zinc/39/20/92/862392092.db2.gz TZXMSEDNBCNZCN-INIZCTEOSA-N -1 0 381.476 3.757 50 0 GHAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001297287 853886728 /nfs/dbraw/zinc/88/67/28/853886728.db2.gz REQBCUKKGMBXFE-UHFFFAOYSA-N -1 0 388.345 3.924 50 0 GHAARM CC1CCC(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000040143589 856680096 /nfs/dbraw/zinc/68/00/96/856680096.db2.gz DOODKGMGPXWRAG-UHFFFAOYSA-N -1 0 378.519 3.857 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000009646311 857275821 /nfs/dbraw/zinc/27/58/21/857275821.db2.gz YYBVFECCMVQFLO-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM COc1c2sc3ncnc(N[C@@H](C)C(=O)[O-])c3c2ccc1Br ZINC000009942946 857380759 /nfs/dbraw/zinc/38/07/59/857380759.db2.gz IRIWWGWOJCHKHW-LURJTMIESA-N -1 0 382.239 3.501 50 0 GHAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022609626 861163027 /nfs/dbraw/zinc/16/30/27/861163027.db2.gz PKOJWWNSJMRYDF-QGZVFWFLSA-N -1 0 380.448 3.783 50 0 GHAARM COc1ccc(OCCS(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cc1 ZINC000070637788 872661461 /nfs/dbraw/zinc/66/14/61/872661461.db2.gz VJEJYJKCIMUMGZ-UHFFFAOYSA-N -1 0 398.893 3.779 50 0 GHAARM CCC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000007814361 883723585 /nfs/dbraw/zinc/72/35/85/883723585.db2.gz YQSAIZZVEPHDTI-CQSZACIVSA-N -1 0 376.478 3.871 50 0 GHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)/C=C\C(=O)[O-] ZINC000097998903 916053146 /nfs/dbraw/zinc/05/31/46/916053146.db2.gz JGXPIUHNAVJFRW-QXMHVHEDSA-N -1 0 395.846 3.792 50 0 GHAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081510 210204310 /nfs/dbraw/zinc/20/43/10/210204310.db2.gz XVAVCBYNMLTFDK-GJZGRUSLSA-N -1 0 398.484 3.736 50 0 GHAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080228 210203170 /nfs/dbraw/zinc/20/31/70/210203170.db2.gz PNHDMEPRLDQJPB-LLVKDONJSA-N -1 0 392.521 3.595 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079618 210203243 /nfs/dbraw/zinc/20/32/43/210203243.db2.gz SHHGMKHSDQPMDK-VXGBXAGGSA-N -1 0 390.436 3.969 50 0 GHAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017077604 210201335 /nfs/dbraw/zinc/20/13/35/210201335.db2.gz MPUGRGRMKSPJKT-FWFPMQDGSA-N -1 0 379.478 3.563 50 0 GHAARM CCc1c([O-])nc(SCC(=O)c2ccccc2)n(-c2ccccc2C)c1=O ZINC000016662306 210192732 /nfs/dbraw/zinc/19/27/32/210192732.db2.gz PCFXHNWEXGXHRE-UHFFFAOYSA-N -1 0 380.469 3.784 50 0 GHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000016204690 210186925 /nfs/dbraw/zinc/18/69/25/210186925.db2.gz HUTIPYYZXYHIDC-CYBMUJFWSA-N -1 0 385.414 3.562 50 0 GHAARM O=C([O-])c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000013463509 210060901 /nfs/dbraw/zinc/06/09/01/210060901.db2.gz APTJKFWOPIWMKA-UHFFFAOYSA-N -1 0 391.626 3.568 50 0 GHAARM CCN(CC)C(=O)c1cccc(NC(=O)CSc2ccccc2C(=O)[O-])c1 ZINC000012759197 210003757 /nfs/dbraw/zinc/00/37/57/210003757.db2.gz HVPVSAIDMAWWHK-UHFFFAOYSA-N -1 0 386.473 3.598 50 0 GHAARM CSCC[C@H](NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)[O-] ZINC000006759552 209681384 /nfs/dbraw/zinc/68/13/84/209681384.db2.gz GTVDYUJJBBUOKB-UGSOOPFHSA-N -1 0 375.465 3.919 50 0 GHAARM COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000004675077 209508295 /nfs/dbraw/zinc/50/82/95/209508295.db2.gz XEWSBHZJXJWSDX-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM CCCCC(=O)c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000003624079 209449346 /nfs/dbraw/zinc/44/93/46/209449346.db2.gz FMPRCJBJHAPZFS-UHFFFAOYSA-N -1 0 380.469 3.727 50 0 GHAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000003307076 209423358 /nfs/dbraw/zinc/42/33/58/209423358.db2.gz LHDKBIWIDHTDMY-UHFFFAOYSA-N -1 0 391.489 3.581 50 0 GHAARM C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000002878896 209393573 /nfs/dbraw/zinc/39/35/73/209393573.db2.gz FSYRCRQPQQUKDP-CQSZACIVSA-N -1 0 399.402 3.973 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4ccccc43)n2)cc1 ZINC000002804536 209388479 /nfs/dbraw/zinc/38/84/79/209388479.db2.gz LXQPPTILBRQNJG-UHFFFAOYSA-N -1 0 393.468 3.894 50 0 GHAARM O=C([O-])c1cc(Br)cn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000002547881 209369752 /nfs/dbraw/zinc/36/97/52/209369752.db2.gz MANNYILNXOZJJE-UHFFFAOYSA-N -1 0 377.021 3.664 50 0 GHAARM O=S(=O)([N-]c1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(F)cc1 ZINC000002767587 209383787 /nfs/dbraw/zinc/38/37/87/209383787.db2.gz XXIGYVJASSSNRJ-UHFFFAOYSA-N -1 0 383.807 3.664 50 0 GHAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1Cl ZINC000002731220 209379341 /nfs/dbraw/zinc/37/93/41/209379341.db2.gz XWZUEEVVNBGWDX-UHFFFAOYSA-N -1 0 385.884 3.733 50 0 GHAARM Cc1cc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n(C)n1 ZINC000002730622 209379014 /nfs/dbraw/zinc/37/90/14/209379014.db2.gz IETKONOLLADCDJ-UHFFFAOYSA-N -1 0 385.884 3.889 50 0 GHAARM O=C([O-])c1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 ZINC000002597669 209371684 /nfs/dbraw/zinc/37/16/84/209371684.db2.gz JMXVCIRSULFZLE-UHFFFAOYSA-N -1 0 376.420 3.657 50 0 GHAARM CCOC(=O)c1[nH]c(C)c(CN(C(=O)CCCC(=O)[O-])c2ccccc2)c1C ZINC000002191967 209350011 /nfs/dbraw/zinc/35/00/11/209350011.db2.gz BILXWEVXUBVJMW-UHFFFAOYSA-N -1 0 386.448 3.596 50 0 GHAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cs1 ZINC000001063345 209295291 /nfs/dbraw/zinc/29/52/91/209295291.db2.gz PLLFSVUZERHHKY-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000001041529 209292303 /nfs/dbraw/zinc/29/23/03/209292303.db2.gz HMYLMANNHRRXRU-WOJBJXKFSA-N -1 0 377.396 3.854 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1OC ZINC000000890360 209276370 /nfs/dbraw/zinc/27/63/70/209276370.db2.gz RIFZUSGVPPRSQG-GOSISDBHSA-N -1 0 396.443 3.636 50 0 GHAARM COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000000868457 209274684 /nfs/dbraw/zinc/27/46/84/209274684.db2.gz GZIFKDGMGGIQOY-SFHVURJKSA-N -1 0 396.443 3.555 50 0 GHAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])cc1OC ZINC000000711219 209262092 /nfs/dbraw/zinc/26/20/92/209262092.db2.gz VLKCLPMMZZBNDW-GOSISDBHSA-N -1 0 396.443 3.555 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)no1 ZINC000000646797 209254496 /nfs/dbraw/zinc/25/44/96/209254496.db2.gz FIEBXWZIMXKNRQ-UHFFFAOYSA-N -1 0 397.412 3.782 50 0 GHAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1nc2ccccc2n1C ZINC000005625530 209230492 /nfs/dbraw/zinc/23/04/92/209230492.db2.gz YVNQUFRHKLCEBL-UHFFFAOYSA-N -1 0 392.411 3.791 50 0 biogenic GHAARM O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000238923582 209213896 /nfs/dbraw/zinc/21/38/96/209213896.db2.gz OXYROOBMMMMYNP-WKILWMFISA-N -1 0 389.455 3.918 50 0 GHAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000001193231 212061418 /nfs/dbraw/zinc/06/14/18/212061418.db2.gz FFAONVWNCQONAF-LDADJPATSA-N -1 0 389.367 3.625 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610739 211940868 /nfs/dbraw/zinc/94/08/68/211940868.db2.gz GRSDYVJMYIEISQ-ZIAGYGMSSA-N -1 0 395.818 3.542 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000238016679 211477418 /nfs/dbraw/zinc/47/74/18/211477418.db2.gz BQBBTMVQUOEPFK-INIZCTEOSA-N -1 0 395.390 3.594 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000238067637 211477060 /nfs/dbraw/zinc/47/70/60/211477060.db2.gz AGBPAOOARASPPC-ROUUACIJSA-N -1 0 385.410 3.713 50 0 GHAARM O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101359161 211398499 /nfs/dbraw/zinc/39/84/99/211398499.db2.gz ILDFWEXBSJJRQS-UKRRQHHQSA-N -1 0 395.629 3.939 50 0 GHAARM COC(=O)CCSc1ncccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000096013529 211294494 /nfs/dbraw/zinc/29/44/94/211294494.db2.gz JQINZXBBRPDERB-UHFFFAOYSA-N -1 0 394.518 3.661 50 0 GHAARM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)c2C1 ZINC000095960094 211288110 /nfs/dbraw/zinc/28/81/10/211288110.db2.gz FJNDUJNRILQVDA-UHFFFAOYSA-N -1 0 379.913 3.960 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3ccccc3-n3cccn3)C2)cc1 ZINC000095375593 211229973 /nfs/dbraw/zinc/22/99/73/211229973.db2.gz VUEVRZPEEUDHQQ-GOSISDBHSA-N -1 0 375.428 3.590 50 0 GHAARM CCOCCOc1ccccc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095365715 211225701 /nfs/dbraw/zinc/22/57/01/211225701.db2.gz JDFHQCLPJHTJOK-LJQANCHMSA-N -1 0 397.471 3.820 50 0 GHAARM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1OCc1c(C)noc1C ZINC000095349557 211220116 /nfs/dbraw/zinc/22/01/16/211220116.db2.gz WZBKITVKYKKZDG-UHFFFAOYSA-N -1 0 396.399 3.830 50 0 GHAARM O=S(=O)([N-]c1ccc2cccc(Br)c2n1)c1ccccc1F ZINC000079096086 211154931 /nfs/dbraw/zinc/15/49/31/211154931.db2.gz FUVBWFXRLAESGD-UHFFFAOYSA-N -1 0 381.226 3.937 50 0 GHAARM CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000071283699 211041785 /nfs/dbraw/zinc/04/17/85/211041785.db2.gz GPAYFGRVDPVINU-CYBMUJFWSA-N -1 0 381.388 3.839 50 0 GHAARM CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000071283062 211043110 /nfs/dbraw/zinc/04/31/10/211043110.db2.gz WFWCGAPRLUGDKE-ZDUSSCGKSA-N -1 0 381.388 3.839 50 0 GHAARM O=C([O-])c1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nc2ccccc21 ZINC000067755268 211019413 /nfs/dbraw/zinc/01/94/13/211019413.db2.gz SWPFFSJOOMANDP-UHFFFAOYSA-N -1 0 388.402 3.837 50 0 GHAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)c(F)c4)c([O-])c23)C1 ZINC000065150469 210969883 /nfs/dbraw/zinc/96/98/83/210969883.db2.gz NEAVXVFBRFZQOD-QMMMGPOBSA-N -1 0 390.411 3.951 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c(OC)c1 ZINC000020978285 210371545 /nfs/dbraw/zinc/37/15/45/210371545.db2.gz CVXCYENUMATIJM-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM O=C(Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21)c1ccccc1Cl ZINC000016996540 221375031 /nfs/dbraw/zinc/37/50/31/221375031.db2.gz AXBZFYGXNQPGGN-UHFFFAOYSA-N -1 0 393.834 3.521 50 0 GHAARM COC(=O)c1c2c(sc1NC(=O)CC1(CC(=O)[O-])CCCCC1)CCC2 ZINC000032496875 570217359 /nfs/dbraw/zinc/21/73/59/570217359.db2.gz DUIPKXFKVMJUCP-UHFFFAOYSA-N -1 0 379.478 3.777 50 0 GHAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccc(Br)cc1 ZINC000035114248 570234065 /nfs/dbraw/zinc/23/40/65/570234065.db2.gz JKVOXRBVYKSBFX-GDBMZVCRSA-N -1 0 392.274 3.790 50 0 GHAARM COc1ccc2[nH]cc(CCNc3nnc(-c4ccc(Cl)cc4)c(=O)[n-]3)c2c1 ZINC000004818445 570238845 /nfs/dbraw/zinc/23/88/45/570238845.db2.gz OJMLOUOYTBESCD-UHFFFAOYSA-N -1 0 395.850 3.630 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Br ZINC000012860998 570267883 /nfs/dbraw/zinc/26/78/83/570267883.db2.gz NPDHMMGTCBKHAK-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(OC)c4)c32)cc1 ZINC000049543169 570268491 /nfs/dbraw/zinc/26/84/91/570268491.db2.gz GLBLZQGHYCPISL-KRWDZBQOSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM O=C([O-])c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000003436155 570346204 /nfs/dbraw/zinc/34/62/04/570346204.db2.gz HMMTYZGNGKIIOB-UHFFFAOYSA-N -1 0 395.480 3.885 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1 ZINC000035405197 570351765 /nfs/dbraw/zinc/35/17/65/570351765.db2.gz XQHHAWXSTVMOEG-UHFFFAOYSA-N -1 0 378.519 3.792 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000006316698 570377176 /nfs/dbraw/zinc/37/71/76/570377176.db2.gz BZIVQKVASWGMDM-UHFFFAOYSA-N -1 0 392.221 3.927 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000024153165 570380120 /nfs/dbraw/zinc/38/01/20/570380120.db2.gz XEAHNPNRASBJLC-UHFFFAOYSA-N -1 0 379.503 3.769 50 0 GHAARM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000237586858 570381444 /nfs/dbraw/zinc/38/14/44/570381444.db2.gz HIYCUVYCPXHOST-SYJJWHGVSA-N -1 0 382.460 3.604 50 0 GHAARM Cc1sc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1-c1ccc(F)cc1 ZINC000237695079 570390170 /nfs/dbraw/zinc/39/01/70/570390170.db2.gz HBNCLCOQPOPXAC-UHFFFAOYSA-N -1 0 377.437 3.568 50 0 GHAARM Cc1c(=O)c2cccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000237761089 570395098 /nfs/dbraw/zinc/39/50/98/570395098.db2.gz CIYAJXWLQYZMIT-MRXNPFEDSA-N -1 0 391.423 3.705 50 0 GHAARM NC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000033708823 570402424 /nfs/dbraw/zinc/40/24/24/570402424.db2.gz MJRYERHSCVVTDL-QXMHVHEDSA-N -1 0 378.494 3.646 50 0 GHAARM CCCC(C)(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000124458958 570488342 /nfs/dbraw/zinc/48/83/42/570488342.db2.gz CWTHKLFMQCIROK-UHFFFAOYSA-N -1 0 385.489 3.635 50 0 GHAARM Cc1oc(CN(C)C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000268944079 570489108 /nfs/dbraw/zinc/48/91/08/570489108.db2.gz UXDZDMCPEHANFX-GJZGRUSLSA-N -1 0 397.349 3.947 50 0 GHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624183 570508272 /nfs/dbraw/zinc/50/82/72/570508272.db2.gz LFXJQJAFJZHZLF-DGIBIBHMSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM Cc1ccc(S(=O)(=O)[N-]C(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000606422329 570522714 /nfs/dbraw/zinc/52/27/14/570522714.db2.gz MMMGYZMMUDLJPH-KMYSJOAASA-N -1 0 392.590 3.753 50 0 GHAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccnc2)CC(=O)N3)cc1 ZINC000064797260 570546858 /nfs/dbraw/zinc/54/68/58/570546858.db2.gz AMKAZIMXTBEYSX-CQSZACIVSA-N -1 0 380.425 3.991 50 0 GHAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000032971381 570556884 /nfs/dbraw/zinc/55/68/84/570556884.db2.gz BKLUOBYHLXJDPR-UHFFFAOYSA-N -1 0 383.223 3.806 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1 ZINC000064845229 570564938 /nfs/dbraw/zinc/56/49/38/570564938.db2.gz QVZZFJBRSSXUJJ-UHFFFAOYSA-N -1 0 391.474 3.779 50 0 GHAARM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000225465691 570577304 /nfs/dbraw/zinc/57/73/04/570577304.db2.gz YBOMXXQUDWQITG-UHFFFAOYSA-N -1 0 390.774 3.511 50 0 GHAARM CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(C=Cc3ccccc3)=NO2)cc1 ZINC000005451021 570599098 /nfs/dbraw/zinc/59/90/98/570599098.db2.gz RHJRYPORLSEFQT-FNNXTJRKSA-N -1 0 392.411 3.531 50 0 GHAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005625210 570673872 /nfs/dbraw/zinc/67/38/72/570673872.db2.gz ZNYAHOXTJFADKI-AMGRQBIBSA-N -1 0 377.444 3.593 50 0 GHAARM CCCC(=O)Nc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC ZINC000055200147 570686884 /nfs/dbraw/zinc/68/68/84/570686884.db2.gz FEKUUOLNIKIGGN-UHFFFAOYSA-N -1 0 379.416 3.528 50 0 GHAARM Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000242167643 570688450 /nfs/dbraw/zinc/68/84/50/570688450.db2.gz WYFVNBGGXWNKBE-HNNXBMFYSA-N -1 0 394.431 3.875 50 0 GHAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccccc2CC)n1 ZINC000065194559 570725767 /nfs/dbraw/zinc/72/57/67/570725767.db2.gz VMGZDZWJRXTLCP-UHFFFAOYSA-N -1 0 388.493 3.618 50 0 GHAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccccc2)c1C ZINC000065194640 570726143 /nfs/dbraw/zinc/72/61/43/570726143.db2.gz AEHLJSNGCOHUMV-UHFFFAOYSA-N -1 0 386.477 3.853 50 0 GHAARM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1cnn(-c2ccccc2)c1 ZINC000058358231 570728856 /nfs/dbraw/zinc/72/88/56/570728856.db2.gz VUZVBGFWRLRFMQ-UHFFFAOYSA-N -1 0 383.473 3.995 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2cc(C)ccc2C)c3[O-])cc1 ZINC000065249972 570748613 /nfs/dbraw/zinc/74/86/13/570748613.db2.gz NPXFKDVMMFWYTE-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)CC1 ZINC000238078467 570800669 /nfs/dbraw/zinc/80/06/69/570800669.db2.gz LGLOSOZJTGYNBU-UHFFFAOYSA-N -1 0 380.419 3.766 50 0 GHAARM Cc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=Nc3ccccc3S2)s1 ZINC000101495304 570825021 /nfs/dbraw/zinc/82/50/21/570825021.db2.gz PSOTWDYOZMHNFJ-OAHLLOKOSA-N -1 0 399.497 3.507 50 0 GHAARM O=C(Nc1cccc(F)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723103 570830205 /nfs/dbraw/zinc/83/02/05/570830205.db2.gz KHHBMQBUGNXISO-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM O=C(Nc1ccc(F)cc1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723097 570830263 /nfs/dbraw/zinc/83/02/63/570830263.db2.gz BWGQQVIIQSRFKB-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000012526326 570831339 /nfs/dbraw/zinc/83/13/39/570831339.db2.gz SJAQDHOMYYQFIB-UHFFFAOYSA-N -1 0 396.877 3.846 50 0 GHAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000002097047 570941216 /nfs/dbraw/zinc/94/12/16/570941216.db2.gz SNAUNXIYCDCMTF-FQEVSTJZSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM O=S(=O)(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1 ZINC000211090831 570968961 /nfs/dbraw/zinc/96/89/61/570968961.db2.gz DBZYTTVAHUTVIT-SFHVURJKSA-N -1 0 395.452 3.587 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)NCCCc2cccc(Br)c2)cc1 ZINC000252536311 570991126 /nfs/dbraw/zinc/99/11/26/570991126.db2.gz IDBIPVRTBXXJPX-UHFFFAOYSA-N -1 0 390.277 3.829 50 0 GHAARM Cc1ccccc1-n1c(=O)c2c(nc1SCC(=O)[O-])sc1c2CCCC1 ZINC000004812510 570999092 /nfs/dbraw/zinc/99/90/92/570999092.db2.gz KADPKFUHPXTDRV-UHFFFAOYSA-N -1 0 386.498 3.811 50 0 GHAARM CC(C)Oc1ncc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000170672022 571007978 /nfs/dbraw/zinc/00/79/78/571007978.db2.gz CSSICEXIKAQOOO-WBMJQRKESA-N -1 0 376.840 3.714 50 0 GHAARM CCC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccccc1OC ZINC000003028917 862123730 /nfs/dbraw/zinc/12/37/30/862123730.db2.gz IYQGTJWDLAMAKB-UWJYYQICSA-N -1 0 378.428 3.514 50 0 GHAARM COc1cccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3)C2)c1OC ZINC000253433578 855152035 /nfs/dbraw/zinc/15/20/35/855152035.db2.gz YTIGLWKBKJOJPL-SFHVURJKSA-N -1 0 396.443 3.636 50 0 GHAARM CSCC[C@@H](NC(=O)c1sc(-c2ccccc2Cl)nc1C)C(=O)[O-] ZINC000040283321 856722880 /nfs/dbraw/zinc/72/28/80/856722880.db2.gz FLHZIOFDGAVJHJ-GFCCVEGCSA-N -1 0 384.910 3.708 50 0 GHAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040286887 856724789 /nfs/dbraw/zinc/72/47/89/856724789.db2.gz NLPYDLSOCFAAEJ-GOSISDBHSA-N -1 0 396.834 3.941 50 0 GHAARM COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000040287303 856724905 /nfs/dbraw/zinc/72/49/05/856724905.db2.gz ZNYATOLQNARBCO-OAHLLOKOSA-N -1 0 393.399 3.711 50 0 GHAARM CC(C)[C@H](NC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21)C(=O)[O-] ZINC000040309428 856732883 /nfs/dbraw/zinc/73/28/83/856732883.db2.gz YWABNSKZGUISAZ-QFIPXVFZSA-N -1 0 394.471 3.836 50 0 biogenic GHAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009111522 856802472 /nfs/dbraw/zinc/80/24/72/856802472.db2.gz BQRKWBMBZKGBIQ-LDADJPATSA-N -1 0 395.846 3.798 50 0 GHAARM CCc1ccccc1NC(=O)CSc1[n-]c2ccccc2c(=O)c1C(=O)OC ZINC000009300278 857083747 /nfs/dbraw/zinc/08/37/47/857083747.db2.gz HRDHYVCLFVAXBW-UHFFFAOYSA-N -1 0 396.468 3.608 50 0 GHAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2CN1Cc1ccc(-c2cc[nH]n2)s1 ZINC000828540637 865302722 /nfs/dbraw/zinc/30/27/22/865302722.db2.gz KIXAAXIQJPCSFR-SFHVURJKSA-N -1 0 378.457 3.631 50 0 GHAARM O=C([O-])COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000007884210 879669032 /nfs/dbraw/zinc/66/90/32/879669032.db2.gz HBYHDOMBCRAOPH-QFIPXVFZSA-N -1 0 388.423 3.917 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081491 210204626 /nfs/dbraw/zinc/20/46/26/210204626.db2.gz QIFFDJXSMDUZDZ-CABCVRRESA-N -1 0 398.484 3.736 50 0 GHAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017080219 210202787 /nfs/dbraw/zinc/20/27/87/210202787.db2.gz MJGCNMWGPXLENL-UHFFFAOYSA-N -1 0 392.521 3.883 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCCCC1 ZINC000016121571 210185696 /nfs/dbraw/zinc/18/56/96/210185696.db2.gz WSUIXTPDRNGDAO-UHFFFAOYSA-N -1 0 396.871 3.906 50 0 GHAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004618987 209503280 /nfs/dbraw/zinc/50/32/80/209503280.db2.gz NVAZQEYBHWXTQU-QGZVFWFLSA-N -1 0 397.880 3.622 50 0 GHAARM COc1ccc(-c2c(C)[n-]n3c2nc(Cc2ccccc2)cc3=O)cc1OC ZINC000004386336 209484652 /nfs/dbraw/zinc/48/46/52/209484652.db2.gz RMYFWXBXJCATMS-UHFFFAOYSA-N -1 0 375.428 3.606 50 0 GHAARM CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000003983639 209459018 /nfs/dbraw/zinc/45/90/18/209459018.db2.gz BYIZBQYFYUCIRM-AWEZNQCLSA-N -1 0 383.492 3.905 50 0 GHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCC(=O)[O-])cc1C ZINC000002657845 209375326 /nfs/dbraw/zinc/37/53/26/209375326.db2.gz PITZAACYIWAONT-UHFFFAOYSA-N -1 0 391.471 3.979 50 0 GHAARM CCOc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000002631222 209373077 /nfs/dbraw/zinc/37/30/77/209373077.db2.gz SLASPGQEQPORTB-UHFFFAOYSA-N -1 0 379.825 3.590 50 0 GHAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000002358032 209358512 /nfs/dbraw/zinc/35/85/12/209358512.db2.gz OFXIOHNQQYTAGU-MFVBVHDHSA-N -1 0 383.425 3.775 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n(-c2ccccc2)c1=O ZINC000001230755 209316370 /nfs/dbraw/zinc/31/63/70/209316370.db2.gz PWYMWHFXMMFSCB-UHFFFAOYSA-N -1 0 395.484 3.540 50 0 GHAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCSCC1 ZINC000001081429 209297724 /nfs/dbraw/zinc/29/77/24/209297724.db2.gz KEJAASWNXTXYMD-UHFFFAOYSA-N -1 0 383.469 3.876 50 0 GHAARM O=C([O-])[C@@H]1CS[C@@H](c2c(Cl)n(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000940105 209281119 /nfs/dbraw/zinc/28/11/19/209281119.db2.gz ONWWAQHJGGGUDX-KSSFIOAISA-N -1 0 385.876 3.981 50 0 GHAARM O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000754636 209264270 /nfs/dbraw/zinc/26/42/70/209264270.db2.gz JDVLYAYDIMUAAC-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 in-vivo GHAARM O=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)Cc3cccs3)c2)c1 ZINC000000693123 209260886 /nfs/dbraw/zinc/26/08/86/209260886.db2.gz IFJKGCZABXVZEA-UHFFFAOYSA-N -1 0 380.425 3.880 50 0 GHAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621917 209249875 /nfs/dbraw/zinc/24/98/75/209249875.db2.gz SCSSXJVRZMQUKA-OAQYLSRUSA-N -1 0 388.423 3.616 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000237969205 209214104 /nfs/dbraw/zinc/21/41/04/209214104.db2.gz HOXNEIBXSWRYMI-NSHDSACASA-N -1 0 380.238 3.912 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(Br)c1 ZINC000008106140 211630828 /nfs/dbraw/zinc/63/08/28/211630828.db2.gz AMGNRZJQFRJHFN-UHFFFAOYSA-N -1 0 398.278 3.576 50 0 GHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)o1 ZINC000096379567 211338744 /nfs/dbraw/zinc/33/87/44/211338744.db2.gz WZXDECQDEYICSW-UHFFFAOYSA-N -1 0 384.820 3.583 50 0 GHAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2C)o1 ZINC000096379404 211338183 /nfs/dbraw/zinc/33/81/83/211338183.db2.gz SUKUYKIXLCLPOZ-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000095424301 211238817 /nfs/dbraw/zinc/23/88/17/211238817.db2.gz QOUMHRMXVDBLSX-GOSISDBHSA-N -1 0 375.428 3.509 50 0 GHAARM CCOC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c([O-])c2ccccc2[nH]c1=O ZINC000072405411 211114293 /nfs/dbraw/zinc/11/42/93/211114293.db2.gz ZLZNOMFPHOZNBV-GFCCVEGCSA-N -1 0 391.345 3.736 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000058167785 210909060 /nfs/dbraw/zinc/90/90/60/210909060.db2.gz JIZMXTWBCYYWJQ-SOUVJXGZSA-N -1 0 379.840 3.503 50 0 GHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1c(F)cccc1F ZINC000021868055 210397797 /nfs/dbraw/zinc/39/77/97/210397797.db2.gz QJPQARPOWDUMTA-UHFFFAOYSA-N -1 0 395.456 3.976 50 0 GHAARM COc1cc2c(cc1OC)C([O-])=C(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000020723190 210356958 /nfs/dbraw/zinc/35/69/58/210356958.db2.gz QDSINYAFMNAQKN-LJQANCHMSA-N -1 0 388.485 3.583 50 0 GHAARM CCc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1 ZINC000020532746 210345213 /nfs/dbraw/zinc/34/52/13/210345213.db2.gz XKWLXWPXTGHPOI-UHFFFAOYSA-N -1 0 399.447 3.836 50 0 GHAARM O=C([O-])CC1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000020064824 210315300 /nfs/dbraw/zinc/31/53/00/210315300.db2.gz IKQFQTHASNTFMG-MRXNPFEDSA-N -1 0 388.217 3.824 50 0 GHAARM O=C1N=C(SCCOc2ccc(Cl)cc2)N=C([O-])C1Cc1ccccc1 ZINC000019814953 210299772 /nfs/dbraw/zinc/29/97/72/210299772.db2.gz UTLUXHVCMQKYJU-UHFFFAOYSA-N -1 0 388.876 3.891 50 0 GHAARM COc1cccc(CN(C(=O)NC2(C(=O)[O-])CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000426379582 533467679 /nfs/dbraw/zinc/46/76/79/533467679.db2.gz BMUXQIYJLYGCTP-HXUWFJFHSA-N -1 0 394.471 3.902 50 0 GHAARM CCc1cc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)ncn1 ZINC000082099127 136173668 /nfs/dbraw/zinc/17/36/68/136173668.db2.gz FQHJHXWXPLNDRJ-UHFFFAOYSA-N -1 0 377.444 3.695 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCCC3=O)c2)s1 ZINC000005330139 136194683 /nfs/dbraw/zinc/19/46/83/136194683.db2.gz WQPMLAADYARSEH-UHFFFAOYSA-N -1 0 378.519 3.937 50 0 GHAARM O=C1N[C@@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000002863673 570312427 /nfs/dbraw/zinc/31/24/27/570312427.db2.gz GDZZMRRQBRFZGM-MRXNPFEDSA-N -1 0 392.362 3.723 50 0 GHAARM CCN(CC)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397655 570348876 /nfs/dbraw/zinc/34/88/76/570348876.db2.gz PARFLWBPESSGLB-UHFFFAOYSA-N -1 0 391.493 3.550 50 0 GHAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000035592599 570399012 /nfs/dbraw/zinc/39/90/12/570399012.db2.gz UQWYDZCIYINORK-UHFFFAOYSA-N -1 0 392.658 3.618 50 0 GHAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000004811482 570407577 /nfs/dbraw/zinc/40/75/77/570407577.db2.gz SEOHGKRVDZVGKM-FBOQAHMBSA-N -1 0 379.478 3.655 50 0 GHAARM CCN(C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000004821119 570408848 /nfs/dbraw/zinc/40/88/48/570408848.db2.gz SETHUCOLGVYWTM-VQTJNVASSA-N -1 0 392.455 3.959 50 0 GHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000237986992 570418711 /nfs/dbraw/zinc/41/87/11/570418711.db2.gz HJNUCSWIQZLLIP-MRXNPFEDSA-N -1 0 376.840 3.783 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000238065123 570423095 /nfs/dbraw/zinc/42/30/95/570423095.db2.gz NODVOFOMCUTHTF-HZPDHXFCSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccn2)cc1 ZINC000005027026 570424571 /nfs/dbraw/zinc/42/45/71/570424571.db2.gz XBJRLQVACSHZRE-NRFANRHFSA-N -1 0 396.406 3.920 50 0 GHAARM CCOc1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1OCC(=O)[O-] ZINC000268885923 570440151 /nfs/dbraw/zinc/44/01/51/570440151.db2.gz GMSUYHHKBACVIQ-OAHLLOKOSA-N -1 0 375.446 3.588 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136130145 570472249 /nfs/dbraw/zinc/47/22/49/570472249.db2.gz CFNNZQOBHGPERX-GFCCVEGCSA-N -1 0 394.880 3.621 50 0 GHAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1 ZINC000006213404 570472349 /nfs/dbraw/zinc/47/23/49/570472349.db2.gz VJLVOQCIXGIFFS-UHFFFAOYSA-N -1 0 378.519 3.595 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000237966581 570478584 /nfs/dbraw/zinc/47/85/84/570478584.db2.gz FKXDCEJQQJRGQB-HNNXBMFYSA-N -1 0 383.419 3.774 50 0 GHAARM Cn1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cn1 ZINC000061719757 570502673 /nfs/dbraw/zinc/50/26/73/570502673.db2.gz DARIPYZAKXKBBI-GFCCVEGCSA-N -1 0 387.848 3.974 50 0 GHAARM Cc1nc2sc3c(c2c([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)CCC3 ZINC000006623473 570507155 /nfs/dbraw/zinc/50/71/55/570507155.db2.gz WSIVVRNXZQHAHY-UHFFFAOYSA-N -1 0 379.894 3.943 50 0 GHAARM CC[C@@H](C)NC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973721 570524219 /nfs/dbraw/zinc/52/42/19/570524219.db2.gz IHAKZRRVEJMIIV-SNVBAGLBSA-N -1 0 398.326 3.516 50 0 GHAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854369 570557002 /nfs/dbraw/zinc/55/70/02/570557002.db2.gz DNIVMLGDZJVAFY-JKIFEVAISA-N -1 0 386.521 3.566 50 0 GHAARM COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000036293922 570562885 /nfs/dbraw/zinc/56/28/85/570562885.db2.gz ZFNQOUZSNZLJLR-UHFFFAOYSA-N -1 0 383.425 3.861 50 0 GHAARM CCCOc1cc(S(=O)(=O)[N-]c2cccc(C)n2)ccc1Br ZINC000011565929 570576511 /nfs/dbraw/zinc/57/65/11/570576511.db2.gz MIXMQDAXZNAVDW-UHFFFAOYSA-N -1 0 385.283 3.742 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000225481795 570578394 /nfs/dbraw/zinc/57/83/94/570578394.db2.gz WWBKFFVITMIRMW-SFTDATJTSA-N -1 0 375.424 3.619 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000033007366 570619963 /nfs/dbraw/zinc/61/99/63/570619963.db2.gz NSQBRKQLLSFMTC-CQSZACIVSA-N -1 0 388.489 3.730 50 0 GHAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005529848 570627071 /nfs/dbraw/zinc/62/70/71/570627071.db2.gz MJDYUFYIOGAURV-FZHISCEWSA-N -1 0 385.504 3.771 50 0 biogenic GHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2)cc1 ZINC000006887491 570682156 /nfs/dbraw/zinc/68/21/56/570682156.db2.gz SGZQSFYPASEIIU-UHFFFAOYSA-N -1 0 386.429 3.628 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000006887663 570682215 /nfs/dbraw/zinc/68/22/15/570682215.db2.gz GGACKPUCZASBJV-UHFFFAOYSA-N -1 0 388.445 3.858 50 0 GHAARM CC(C)Cn1c(=O)cc([O-])nc1SCc1ccc(Br)cc1F ZINC000012682311 570697766 /nfs/dbraw/zinc/69/77/66/570697766.db2.gz ZQHQRQUMXNPYSU-UHFFFAOYSA-N -1 0 387.274 3.799 50 0 GHAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000001125623 570712043 /nfs/dbraw/zinc/71/20/43/570712043.db2.gz PDTYWANHNYVVGY-GFCCVEGCSA-N -1 0 386.473 3.997 50 0 GHAARM COc1ccc(-n2c(COc3cccc(C)c3)nnc2S[C@H](C)C(=O)[O-])cc1 ZINC000000916903 570725586 /nfs/dbraw/zinc/72/55/86/570725586.db2.gz IZZYBVMNBHVYOC-CQSZACIVSA-N -1 0 399.472 3.729 50 0 GHAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000004724580 570729235 /nfs/dbraw/zinc/72/92/35/570729235.db2.gz YAERQRWOCWQDEH-UHFFFAOYSA-N -1 0 378.222 3.782 50 0 GHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000007005156 570736112 /nfs/dbraw/zinc/73/61/12/570736112.db2.gz JFLMZZNNLSLLOY-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000006170587 570738668 /nfs/dbraw/zinc/73/86/68/570738668.db2.gz NWRIEZNFJDQRMN-RUDMXATFSA-N -1 0 376.206 3.808 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2cc(C)ccc2C)c3[O-])c1 ZINC000065250032 570749033 /nfs/dbraw/zinc/74/90/33/570749033.db2.gz ZUYYEBPLTLCTLV-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012508049 570823285 /nfs/dbraw/zinc/82/32/85/570823285.db2.gz PULXMAIWLANMSU-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC000299742073 570823784 /nfs/dbraw/zinc/82/37/84/570823784.db2.gz GSHHYIAEMRUCQD-RCBQFDQVSA-N -1 0 380.282 3.656 50 0 GHAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000012508548 570824426 /nfs/dbraw/zinc/82/44/26/570824426.db2.gz UTNMWXVOZXYBTC-UHFFFAOYSA-N -1 0 396.468 3.916 50 0 GHAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101495320 570824762 /nfs/dbraw/zinc/82/47/62/570824762.db2.gz KAOASLRZVNDLEE-HNNXBMFYSA-N -1 0 386.521 3.974 50 0 GHAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000012521176 570827905 /nfs/dbraw/zinc/82/79/05/570827905.db2.gz VMADAPYISOUMQD-UHFFFAOYSA-N -1 0 386.498 3.821 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722419 570829911 /nfs/dbraw/zinc/82/99/11/570829911.db2.gz GYMZXIAMDOSVBO-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCC(C)CC1 ZINC000101831094 570836256 /nfs/dbraw/zinc/83/62/56/570836256.db2.gz MQOYIWNWAQKOSY-UHFFFAOYSA-N -1 0 396.516 3.811 50 0 GHAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000102829384 570866300 /nfs/dbraw/zinc/86/63/00/570866300.db2.gz SGJVNRFFNMJCNF-QGZVFWFLSA-N -1 0 394.456 3.562 50 0 GHAARM O=C([O-])CC1=C2CN(C1=O)[C@@H](c1ccccc1)c1cc(Br)ccc1N2 ZINC000004561175 570888387 /nfs/dbraw/zinc/88/83/87/570888387.db2.gz VWTZSNCNIJWNTG-SFHVURJKSA-N -1 0 399.244 3.535 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)s1 ZINC000013696605 570900561 /nfs/dbraw/zinc/90/05/61/570900561.db2.gz JCMAWPNMNISERU-UHFFFAOYSA-N -1 0 388.470 3.653 50 0 GHAARM CN1Cc2ccc(NC(=O)C[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2C1=O ZINC000223106544 570957875 /nfs/dbraw/zinc/95/78/75/570957875.db2.gz JNKUVZNULLAOFO-CQSZACIVSA-N -1 0 386.835 3.513 50 0 GHAARM O=C(c1ccccc1Br)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000004163596 570968316 /nfs/dbraw/zinc/96/83/16/570968316.db2.gz GJIJAWMNSQXSRY-HZMBPMFUSA-N -1 0 391.187 3.702 50 0 GHAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240513 570973922 /nfs/dbraw/zinc/97/39/22/570973922.db2.gz KLJFMRIVHKGBFB-OAHLLOKOSA-N -1 0 381.428 3.501 50 0 GHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1F ZINC000007729030 571024418 /nfs/dbraw/zinc/02/44/18/571024418.db2.gz XVWZOCZMGHHEHV-UHFFFAOYSA-N -1 0 385.342 3.831 50 0 GHAARM O=C([O-])C1CCC(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000194390026 605107188 /nfs/dbraw/zinc/10/71/88/605107188.db2.gz WHTMNEGQFPPFKC-UHFFFAOYSA-N -1 0 392.883 3.796 50 0 GHAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3cc([N+](=O)[O-])ccc3Cl)nc(=O)c12 ZINC000096765821 837063244 /nfs/dbraw/zinc/06/32/44/837063244.db2.gz SPOGVVPBIFVCCG-DJWKRKHSSA-N -1 0 391.792 3.723 50 0 GHAARM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000055595508 861264298 /nfs/dbraw/zinc/26/42/98/861264298.db2.gz QPBMEDDQQPBBTD-UHFFFAOYSA-N -1 0 382.844 3.937 50 0 GHAARM CCOc1cc2[n-]c(=S)n(Cc3ccccc3OC)c(=O)c2cc1OCC ZINC000002976545 862079322 /nfs/dbraw/zinc/07/93/22/862079322.db2.gz MDTIUBCZZIUKKX-UHFFFAOYSA-N -1 0 386.473 3.913 50 0 GHAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncccc1C(=O)c1ccc(F)cc1 ZINC000253429156 855105329 /nfs/dbraw/zinc/10/53/29/855105329.db2.gz QOFVSOWSKQHLSO-UHFFFAOYSA-N -1 0 388.395 3.700 50 0 GHAARM Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000008867826 856390833 /nfs/dbraw/zinc/39/08/33/856390833.db2.gz BGXSICORJDETLJ-IBGZPJMESA-N -1 0 377.396 3.511 50 0 GHAARM COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000040117700 856668784 /nfs/dbraw/zinc/66/87/84/856668784.db2.gz IESIIMVZLSJBHM-UHFFFAOYSA-N -1 0 378.208 3.720 50 0 GHAARM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000008977090 856683308 /nfs/dbraw/zinc/68/33/08/856683308.db2.gz KRVNALMCJPBNKN-UHFFFAOYSA-N -1 0 398.937 3.743 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000009646370 857274498 /nfs/dbraw/zinc/27/44/98/857274498.db2.gz NFODIISGDCKMQC-UHFFFAOYSA-N -1 0 390.486 3.555 50 0 GHAARM Cc1occc1C(=O)/C(C#N)=C/c1ccc(OCC(=O)[O-])c(Br)c1 ZINC000170642524 860499074 /nfs/dbraw/zinc/49/90/74/860499074.db2.gz BCQBVIXRXVJNNC-WUXMJOGZSA-N -1 0 390.189 3.604 50 0 GHAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022609761 861163285 /nfs/dbraw/zinc/16/32/85/861163285.db2.gz BFRCUVAYFFBWKT-KRWDZBQOSA-N -1 0 380.448 3.783 50 0 GHAARM CCC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000007814362 883724611 /nfs/dbraw/zinc/72/46/11/883724611.db2.gz YQSAIZZVEPHDTI-AWEZNQCLSA-N -1 0 376.478 3.871 50 0 GHAARM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000851043864 893057295 /nfs/dbraw/zinc/05/72/95/893057295.db2.gz XYHRXBWCIZQWCT-KFWWJZLASA-N -1 0 377.428 3.952 50 0 GHAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000005897143 903550897 /nfs/dbraw/zinc/55/08/97/903550897.db2.gz OFXIOHNQQYTAGU-HNEYUBDGSA-N -1 0 383.425 3.775 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(OC(F)F)cc1)CC3 ZINC000006049210 903938742 /nfs/dbraw/zinc/93/87/42/903938742.db2.gz BMWDXHGSVUDDRM-FMIVXFBMSA-N -1 0 384.338 3.640 50 0 GHAARM CC(C)n1cc(S(=O)(=O)[N-]c2c(-c3cccc(F)c3)n[nH]c2C2CC2)cn1 ZINC000864097111 907567508 /nfs/dbraw/zinc/56/75/08/907567508.db2.gz ZLPJCTVEAMFJDZ-UHFFFAOYSA-N -1 0 389.456 3.671 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)OC ZINC000017077601 210200732 /nfs/dbraw/zinc/20/07/32/210200732.db2.gz DLDWQBATFDXEHC-UONOGXRCSA-N -1 0 379.478 3.791 50 0 GHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000016204691 210187046 /nfs/dbraw/zinc/18/70/46/210187046.db2.gz HUTIPYYZXYHIDC-ZDUSSCGKSA-N -1 0 385.414 3.562 50 0 GHAARM Cc1c([C@H](C)[N-]S(=O)(=O)CC(F)(F)F)cnn1-c1cccc2ccccc21 ZINC000014973045 210136814 /nfs/dbraw/zinc/13/68/14/210136814.db2.gz YUHWHANFGJBKPW-LBPRGKRZSA-N -1 0 397.422 3.877 50 0 GHAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCC(=O)[O-])cc2O)cc1 ZINC000013843326 210094334 /nfs/dbraw/zinc/09/43/34/210094334.db2.gz XQNCLAQCGSZASZ-UHFFFAOYSA-N -1 0 384.432 3.745 50 0 GHAARM COc1ccc(Cl)cc1N(C)C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000004192567 209470219 /nfs/dbraw/zinc/47/02/19/209470219.db2.gz CKMFHHPCPDAZRO-UHFFFAOYSA-N -1 0 386.835 3.744 50 0 GHAARM COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000002836734 209390696 /nfs/dbraw/zinc/39/06/96/209390696.db2.gz GYZZRJRJYVMXNS-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2OC(C)C)cc1 ZINC000002349400 209358813 /nfs/dbraw/zinc/35/88/13/209358813.db2.gz NMXBNCSUSDHBPG-UHFFFAOYSA-N -1 0 387.461 3.617 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)ccc1Cl ZINC000001109514 209300472 /nfs/dbraw/zinc/30/04/72/209300472.db2.gz UAKLNYUWJBEFLL-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 ZINC000000807738 209268119 /nfs/dbraw/zinc/26/81/19/209268119.db2.gz GXEOVRJANCPJDZ-YOEHRIQHSA-N -1 0 379.865 3.716 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)N1CCCC1 ZINC000000816585 209269486 /nfs/dbraw/zinc/26/94/86/209269486.db2.gz UJAARAMTWUIWMX-UHFFFAOYSA-N -1 0 380.469 3.877 50 0 GHAARM COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Br)cc2)cc1 ZINC000000662811 209256580 /nfs/dbraw/zinc/25/65/80/209256580.db2.gz LCHRTSINYYBMKD-ZDUSSCGKSA-N -1 0 392.249 3.730 50 0 GHAARM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000002137292 209229634 /nfs/dbraw/zinc/22/96/34/209229634.db2.gz GKMSHZNRVZKPSA-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 biogenic GHAARM CC(C)(C)c1cc([N-]C(=O)c2nnsc2NC(=O)Nc2ccccc2)no1 ZINC000004477924 212064783 /nfs/dbraw/zinc/06/47/83/212064783.db2.gz HHWXARBQAHGOGU-UHFFFAOYSA-N -1 0 386.437 3.720 50 0 GHAARM C/C(=C/C(=O)Nc1sc(C)c(-c2ccc(C(C)C)cc2)c1C(N)=O)C(=O)[O-] ZINC000096436971 211969175 /nfs/dbraw/zinc/96/91/75/211969175.db2.gz VWGPZCAHGILDMA-LUAWRHEFSA-N -1 0 386.473 3.915 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023156958 211787773 /nfs/dbraw/zinc/78/77/73/211787773.db2.gz OFBJGKJMVMTULR-HFAKWTLXSA-N -1 0 392.912 3.657 50 0 GHAARM Cc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cn2)c(Br)c1 ZINC000006811581 211627305 /nfs/dbraw/zinc/62/73/05/211627305.db2.gz PCGKAAUMLCQEEU-UHFFFAOYSA-N -1 0 381.251 3.582 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c(C)c1 ZINC000101418580 211399733 /nfs/dbraw/zinc/39/97/33/211399733.db2.gz XAISBPHNOYQJQM-ZWKOTPCHSA-N -1 0 382.851 3.759 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1-c1nc(C2CC2)no1 ZINC000096379864 211338037 /nfs/dbraw/zinc/33/80/37/211338037.db2.gz DOLYJHGUBBCZHA-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)NCc2cc(Br)ccc2F)cc1 ZINC000095424307 211239666 /nfs/dbraw/zinc/23/96/66/211239666.db2.gz GWTSBGPRLBVMMD-UHFFFAOYSA-N -1 0 380.213 3.535 50 0 GHAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000095425250 211238636 /nfs/dbraw/zinc/23/86/36/211238636.db2.gz ATTPMZWYFDEFQT-UHFFFAOYSA-N -1 0 382.441 3.763 50 0 GHAARM O=C([O-])CCCOc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 ZINC000095463969 211244725 /nfs/dbraw/zinc/24/47/25/211244725.db2.gz IPQDJTULLOLEFJ-UHFFFAOYSA-N -1 0 380.400 3.766 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)c1 ZINC000095357909 211223787 /nfs/dbraw/zinc/22/37/87/211223787.db2.gz PYPGPIZLHRNTPL-FQEVSTJZSA-N -1 0 389.455 3.649 50 0 GHAARM CN(C)c1cc(C(F)(F)F)cc(-c2cccc([C@H]3N[C@H](C(=O)[O-])CS3)c2)n1 ZINC000095082158 211218977 /nfs/dbraw/zinc/21/89/77/211218977.db2.gz RHKKNMNUTJDXCR-HOCLYGCPSA-N -1 0 397.422 3.622 50 0 GHAARM CN(C)c1cc(C(F)(F)F)cc(-c2cccc([C@@H]3N[C@@H](C(=O)[O-])CS3)c2)n1 ZINC000091695233 211203827 /nfs/dbraw/zinc/20/38/27/211203827.db2.gz RHKKNMNUTJDXCR-GDBMZVCRSA-N -1 0 397.422 3.622 50 0 GHAARM Cc1ccc(-c2cccc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)c2)o1 ZINC000072458969 211121568 /nfs/dbraw/zinc/12/15/68/211121568.db2.gz GMEDWCMLZRPTBJ-UHFFFAOYSA-N -1 0 379.460 3.875 50 0 GHAARM CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)OC1=O ZINC000072410692 211113923 /nfs/dbraw/zinc/11/39/23/211113923.db2.gz BIKQIBYLHBBKHS-ZDUSSCGKSA-N -1 0 380.872 3.661 50 0 GHAARM O=C([O-])COc1ccccc1[C@H]1CC(=O)Nc2c1cnn2Cc1cccs1 ZINC000072404218 211112546 /nfs/dbraw/zinc/11/25/46/211112546.db2.gz BOEDOXXIKJYALZ-CQSZACIVSA-N -1 0 383.429 3.580 50 0 GHAARM O=S(=O)([N-]c1cc(Cc2ccccc2)ccc1O)c1ccc2c(c1)COC2 ZINC000072312881 211089148 /nfs/dbraw/zinc/08/91/48/211089148.db2.gz ZQTBDTQRYHLWLC-UHFFFAOYSA-N -1 0 381.453 3.814 50 0 GHAARM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1cccc2cccnc21 ZINC000068740954 211033833 /nfs/dbraw/zinc/03/38/33/211033833.db2.gz IFGSJFRXRAJDQZ-UHFFFAOYSA-N -1 0 377.263 3.939 50 0 GHAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000066087893 211000205 /nfs/dbraw/zinc/00/02/05/211000205.db2.gz DBKICPFDDKSGQY-CQSZACIVSA-N -1 0 394.358 3.517 50 0 GHAARM COc1ccccc1-c1nc(CS(=O)(=O)c2nc3ccccc3[n-]2)cs1 ZINC000047939921 210844242 /nfs/dbraw/zinc/84/42/42/210844242.db2.gz HDWUQBHRJIQRLV-UHFFFAOYSA-N -1 0 385.470 3.669 50 0 GHAARM O=C([O-])[C@H]1CCCN(c2ccc(Sc3ccc(Br)cc3)nn2)C1 ZINC000033268132 210634016 /nfs/dbraw/zinc/63/40/16/210634016.db2.gz PWEPZQIRRKDJDC-NSHDSACASA-N -1 0 394.294 3.691 50 0 GHAARM Cc1cc(NC(=O)c2ccccc2I)sc1C(=O)[O-] ZINC000021956546 210402162 /nfs/dbraw/zinc/40/21/62/210402162.db2.gz GTWWWZCTYNKQOO-UHFFFAOYSA-N -1 0 387.198 3.612 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c1 ZINC000021032690 210375373 /nfs/dbraw/zinc/37/53/73/210375373.db2.gz RHEAEIANRLHYBU-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2)CC(=O)N3)c(OC)c1 ZINC000049543404 570268408 /nfs/dbraw/zinc/26/84/08/570268408.db2.gz ZSDCCHJXXUVBPA-OAHLLOKOSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM O=C1N[C@@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1 ZINC000002863511 570311964 /nfs/dbraw/zinc/31/19/64/570311964.db2.gz WHZAVWFYHFQBTH-MRXNPFEDSA-N -1 0 398.410 3.851 50 0 GHAARM COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000003270825 570335159 /nfs/dbraw/zinc/33/51/59/570335159.db2.gz XLEAUFBAKRTYGQ-UHFFFAOYSA-N -1 0 397.452 3.789 50 0 GHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1 ZINC000035405073 570351747 /nfs/dbraw/zinc/35/17/47/570351747.db2.gz WCMLFCAEHKUPSF-UHFFFAOYSA-N -1 0 378.519 3.656 50 0 GHAARM C[C@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 ZINC000023625670 570367199 /nfs/dbraw/zinc/36/71/99/570367199.db2.gz IZUXDNXRNZHRAX-JOCHJYFZSA-N -1 0 392.411 3.903 50 0 GHAARM O=C([O-])C[C@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000035588003 570402150 /nfs/dbraw/zinc/40/21/50/570402150.db2.gz JOQRKLHXGODAHS-HNNXBMFYSA-N -1 0 376.250 3.714 50 0 GHAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000238098900 570423607 /nfs/dbraw/zinc/42/36/07/570423607.db2.gz LIYOBVQGAOQVHH-LBPRGKRZSA-N -1 0 394.880 3.559 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000006477662 570447799 /nfs/dbraw/zinc/44/77/99/570447799.db2.gz RYCSZSZVWWEMGL-GOSISDBHSA-N -1 0 396.443 3.555 50 0 GHAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 ZINC000028286912 570454259 /nfs/dbraw/zinc/45/42/59/570454259.db2.gz QBGOFMNNSVDYAE-SECBINFHSA-N -1 0 388.474 3.881 50 0 GHAARM Cc1ccc(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000062580387 570460739 /nfs/dbraw/zinc/46/07/39/570460739.db2.gz VNSQJWWBDAPYRQ-UHFFFAOYSA-N -1 0 380.469 3.977 50 0 GHAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000035958358 570487019 /nfs/dbraw/zinc/48/70/19/570487019.db2.gz JIVPARBYTWXEMI-WUFNSSIPSA-N -1 0 384.457 3.775 50 0 GHAARM O=c1[nH]c2ccccc2c([O-])c1-c1cc2cc(Br)ccc2oc1=O ZINC000000853033 570533777 /nfs/dbraw/zinc/53/37/77/570533777.db2.gz NKJIYMCHTKRUBT-UHFFFAOYSA-N -1 0 384.185 3.770 50 0 GHAARM Cc1cccc(N2CCN(CCc3n[n-]c(=S)n3-c3ccccc3)CC2)c1C ZINC000016671117 570536267 /nfs/dbraw/zinc/53/62/67/570536267.db2.gz ZBOZOYDEYVZBDN-UHFFFAOYSA-N -1 0 393.560 3.911 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCCCCCC1 ZINC000032962169 570543035 /nfs/dbraw/zinc/54/30/35/570543035.db2.gz MTGGQIMAHFEQSG-UHFFFAOYSA-N -1 0 388.489 3.956 50 0 GHAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)C1 ZINC000032971124 570555195 /nfs/dbraw/zinc/55/51/95/570555195.db2.gz VVNXMARTSMUWTI-ZDUSSCGKSA-N -1 0 392.452 3.561 50 0 GHAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nnc(C)s2)cc3=O)cc1 ZINC000009936203 570562940 /nfs/dbraw/zinc/56/29/40/570562940.db2.gz CQWWTSSYAGYSQG-UHFFFAOYSA-N -1 0 399.501 3.871 50 0 GHAARM Cc1c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)[nH]nc1-c1ccccc1 ZINC000225695950 570604587 /nfs/dbraw/zinc/60/45/87/570604587.db2.gz RQYAAIOICNNEID-UHFFFAOYSA-N -1 0 385.342 3.742 50 0 GHAARM COc1ccc(Br)c(C(=O)Nc2c([O-])c3ccccc3oc2=O)c1 ZINC000006825658 570624957 /nfs/dbraw/zinc/62/49/57/570624957.db2.gz OKCBMXXZWXNYKK-UHFFFAOYSA-N -1 0 390.189 3.522 50 0 GHAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1cccs1 ZINC000005144785 570658992 /nfs/dbraw/zinc/65/89/92/570658992.db2.gz WHNHDSLJARNFPY-UHFFFAOYSA-N -1 0 386.502 3.606 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000065184011 570722635 /nfs/dbraw/zinc/72/26/35/570722635.db2.gz ZOHCZPUTGDMZFN-UHFFFAOYSA-N -1 0 386.449 3.556 50 0 GHAARM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000065223917 570738653 /nfs/dbraw/zinc/73/86/53/570738653.db2.gz SHLHSMXOZUXHNM-UHFFFAOYSA-N -1 0 377.372 3.656 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c3[O-])c1 ZINC000065250026 570748840 /nfs/dbraw/zinc/74/88/40/570748840.db2.gz RGMDPOFNBBGFQM-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM C[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cc2ccccc2o1 ZINC000170066376 570799268 /nfs/dbraw/zinc/79/92/68/570799268.db2.gz WVUSFQULRNDJCW-UGSOOPFHSA-N -1 0 376.412 3.830 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000004483615 570805162 /nfs/dbraw/zinc/80/51/62/570805162.db2.gz STCXKMXIVAXZFZ-HZPDHXFCSA-N -1 0 388.349 3.507 50 0 GHAARM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000012507964 570823521 /nfs/dbraw/zinc/82/35/21/570823521.db2.gz VXPWBSOWBBNUHE-UHFFFAOYSA-N -1 0 394.301 3.588 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)cc1C ZINC000101835581 570836853 /nfs/dbraw/zinc/83/68/53/570836853.db2.gz QVXQYQLVBLSIIL-MRXNPFEDSA-N -1 0 394.456 3.797 50 0 GHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004698453 570842460 /nfs/dbraw/zinc/84/24/60/570842460.db2.gz UKXMBPYSLYIHHU-GOSISDBHSA-N -1 0 375.490 3.620 50 0 GHAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1 ZINC000012541880 570842491 /nfs/dbraw/zinc/84/24/91/570842491.db2.gz GBIXVMJNKPRKLT-GFCCVEGCSA-N -1 0 376.459 3.633 50 0 GHAARM O=S(=O)(Cc1ccccc1)[N-]c1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000120915739 570889945 /nfs/dbraw/zinc/88/99/45/570889945.db2.gz OKCCWMUDRGYZSA-UHFFFAOYSA-N -1 0 380.441 3.954 50 0 GHAARM Cc1ccc(NC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)cc1F ZINC000012627902 570927086 /nfs/dbraw/zinc/92/70/86/570927086.db2.gz MEAIXJNFOCSYGX-UHFFFAOYSA-N -1 0 397.478 3.705 50 0 GHAARM CC(C)(C)C(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000226814585 570936674 /nfs/dbraw/zinc/93/66/74/570936674.db2.gz BHIWOWRUGDJOMS-LJQANCHMSA-N -1 0 395.455 3.984 50 0 GHAARM COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1OC(F)F ZINC000170642052 570949070 /nfs/dbraw/zinc/94/90/70/570949070.db2.gz SOBYIEJAPKOUDF-UHFFFAOYSA-N -1 0 380.372 3.657 50 0 GHAARM COCc1[n-]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(OC)cc1 ZINC000016650029 570994533 /nfs/dbraw/zinc/99/45/33/570994533.db2.gz GSZJPBHCFNWGBB-UHFFFAOYSA-N -1 0 389.455 3.744 50 0 GHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(F)cc(F)cc3F)ccc21 ZINC000179768536 835974238 /nfs/dbraw/zinc/97/42/38/835974238.db2.gz IRIHPXBDFDUCMA-UHFFFAOYSA-N -1 0 398.406 3.594 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)c1 ZINC000055621746 861273346 /nfs/dbraw/zinc/27/33/46/861273346.db2.gz HUDLOAKCDJJMDN-UHFFFAOYSA-N -1 0 375.377 3.512 50 0 GHAARM CCOc1ccc(NC(=O)CCCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002925451 861799922 /nfs/dbraw/zinc/79/99/22/861799922.db2.gz AJNXCWFIJALVSX-UHFFFAOYSA-N -1 0 389.502 3.938 50 0 GHAARM CCOc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1OC ZINC000057354797 861977410 /nfs/dbraw/zinc/97/74/10/861977410.db2.gz CQJSXECHPHWGIJ-UHFFFAOYSA-N -1 0 381.363 3.792 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(OC)cc1Cl ZINC000003354598 862362347 /nfs/dbraw/zinc/36/23/47/862362347.db2.gz DBTHQFCIRJNAEX-UHFFFAOYSA-N -1 0 381.759 3.575 50 0 GHAARM CCc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)c1 ZINC000004001704 862704102 /nfs/dbraw/zinc/70/41/02/862704102.db2.gz FYSFIRPOPXRJIR-UHFFFAOYSA-N -1 0 399.472 3.907 50 0 GHAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000025185084 856463966 /nfs/dbraw/zinc/46/39/66/856463966.db2.gz QTDAMFATORMQAT-JTSKRJEESA-N -1 0 393.418 3.850 50 0 GHAARM COc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccc(Cl)cc1 ZINC000066247721 856935254 /nfs/dbraw/zinc/93/52/54/856935254.db2.gz DSOHEQDPJNVPBN-UHFFFAOYSA-N -1 0 377.853 3.644 50 0 GHAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000253412370 856980219 /nfs/dbraw/zinc/98/02/19/856980219.db2.gz QTVVGRGVVDIYLM-IBGZPJMESA-N -1 0 383.835 3.523 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3ccc(C)cc3nc21 ZINC000009348847 857155845 /nfs/dbraw/zinc/15/58/45/857155845.db2.gz JHQXEDNSUAOVRF-UHFFFAOYSA-N -1 0 384.436 3.853 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000009376596 857170241 /nfs/dbraw/zinc/17/02/41/857170241.db2.gz ZCKDWOAODAGQKZ-UHFFFAOYSA-N -1 0 398.484 3.798 50 0 GHAARM Cc1cc(C)n2nc(C(=O)[N-]c3nnc(-c4ccc(C(C)C)cc4)s3)nc2n1 ZINC000008040042 863021837 /nfs/dbraw/zinc/02/18/37/863021837.db2.gz JZRFGKNSVNZUKZ-UHFFFAOYSA-N -1 0 393.476 3.635 50 0 GHAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022609765 861163734 /nfs/dbraw/zinc/16/37/34/861163734.db2.gz BFRCUVAYFFBWKT-QGZVFWFLSA-N -1 0 380.448 3.783 50 0 GHAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000237993322 878510802 /nfs/dbraw/zinc/51/08/02/878510802.db2.gz NOBQTXMVDFVQKK-MMISEGOASA-N -1 0 383.419 3.509 50 0 GHAARM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cnn(C(C)(C)C(=O)[O-])c3)c2c1 ZINC000192993191 904349572 /nfs/dbraw/zinc/34/95/72/904349572.db2.gz XWKASOGULQVPSZ-UHFFFAOYSA-N -1 0 378.432 3.689 50 0 GHAARM COc1ccc(-c2cc(=O)n3nc(SCc4ccccc4)[n-]c3n2)cc1OC ZINC000018240892 210218661 /nfs/dbraw/zinc/21/86/61/210218661.db2.gz ZUEAMPPZWVNTBY-UHFFFAOYSA-N -1 0 394.456 3.806 50 0 GHAARM CC1=C(C)C[C@@H](C(=O)Nc2nn(Cc3ccccc3)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000017079189 210203069 /nfs/dbraw/zinc/20/30/69/210203069.db2.gz NPZRXFZLSOAUEU-HZPDHXFCSA-N -1 0 387.867 3.971 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000016154387 210185338 /nfs/dbraw/zinc/18/53/38/210185338.db2.gz PUJPPBHWYBEYCK-UHFFFAOYSA-N -1 0 399.453 3.562 50 0 GHAARM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000015434128 210158704 /nfs/dbraw/zinc/15/87/04/210158704.db2.gz OJNZAMGGMHYSDH-OKILXGFUSA-N -1 0 378.519 3.667 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000014250680 210114658 /nfs/dbraw/zinc/11/46/58/210114658.db2.gz LIQKIMACMNZUPH-UHFFFAOYSA-N -1 0 390.896 3.904 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])s2)cc1 ZINC000013259958 210055753 /nfs/dbraw/zinc/05/57/53/210055753.db2.gz UBUQBALQWUPQND-KRWDZBQOSA-N -1 0 396.468 3.553 50 0 biogenic GHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000012758840 210003883 /nfs/dbraw/zinc/00/38/83/210003883.db2.gz BJRXJNJYLTUEOV-UHFFFAOYSA-N -1 0 399.419 3.869 50 0 GHAARM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(CC(C)C)on1 ZINC000002498116 209368390 /nfs/dbraw/zinc/36/83/90/209368390.db2.gz ILYXBUQEMMHRJI-UHFFFAOYSA-N -1 0 378.450 3.875 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)c1C ZINC000002761004 209382235 /nfs/dbraw/zinc/38/22/35/209382235.db2.gz GURXDWBMEQZXJP-UHFFFAOYSA-N -1 0 392.481 3.546 50 0 GHAARM CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000002183889 209348694 /nfs/dbraw/zinc/34/86/94/209348694.db2.gz SBRRJCDMTOLRNI-NTUHNPAUSA-N -1 0 399.852 3.647 50 0 GHAARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)c1 ZINC000002340653 209357138 /nfs/dbraw/zinc/35/71/38/209357138.db2.gz YJAGKAKQSFHYKI-NTEUORMPSA-N -1 0 381.438 3.667 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3[nH]2)c1=O ZINC000002319671 209356511 /nfs/dbraw/zinc/35/65/11/209356511.db2.gz IFKYFMJMLNTCEQ-UHFFFAOYSA-N -1 0 376.416 3.636 50 0 GHAARM CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000002219974 209351685 /nfs/dbraw/zinc/35/16/85/209351685.db2.gz NEEPOJCHELVPCU-UHFFFAOYSA-N -1 0 392.864 3.952 50 0 GHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)[O-])occ3C(C)(C)C ZINC000002114617 209347730 /nfs/dbraw/zinc/34/77/30/209347730.db2.gz CNCAXSLWXNJBBF-UHFFFAOYSA-N -1 0 399.443 3.669 50 0 biogenic GHAARM COc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001043425 209292682 /nfs/dbraw/zinc/29/26/82/209292682.db2.gz SQIKLSMHCFARDO-UHFFFAOYSA-N -1 0 386.429 3.692 50 0 GHAARM O=C([O-])COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 ZINC000000946464 209281990 /nfs/dbraw/zinc/28/19/90/209281990.db2.gz VSQFBTRYRHURPZ-UHFFFAOYSA-N -1 0 391.173 3.811 50 0 GHAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1Cl ZINC000000718659 209261737 /nfs/dbraw/zinc/26/17/37/209261737.db2.gz NRKFZSMPWRLLHJ-WMLDXEAASA-N -1 0 379.865 3.716 50 0 GHAARM COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000627680 209251256 /nfs/dbraw/zinc/25/12/56/209251256.db2.gz JAMCNYIBSTYVKI-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023157760 211788242 /nfs/dbraw/zinc/78/82/42/211788242.db2.gz BPXUOULXXLAUFS-HFAKWTLXSA-N -1 0 392.912 3.657 50 0 GHAARM Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2F)n1 ZINC000170045245 211656466 /nfs/dbraw/zinc/65/64/66/211656466.db2.gz NIECDYANHKXJAJ-UHFFFAOYSA-N -1 0 381.407 3.599 50 0 GHAARM COc1ccc2c3c(c(=O)oc2c1O[C@H](C(=O)[O-])c1ccccc1)CCCC3 ZINC000005547472 211568241 /nfs/dbraw/zinc/56/82/41/211568241.db2.gz AAVOLAGLUBQSRJ-SFHVURJKSA-N -1 0 380.396 3.885 50 0 GHAARM Cc1c(=O)c2cccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000237761434 211475727 /nfs/dbraw/zinc/47/57/27/211475727.db2.gz IPLPFVKCWNFGJY-HSZRJFAPSA-N -1 0 391.423 3.705 50 0 GHAARM O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101359163 211398825 /nfs/dbraw/zinc/39/88/25/211398825.db2.gz ILDFWEXBSJJRQS-DZGCQCFKSA-N -1 0 395.629 3.939 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1C(F)(F)F ZINC000097379297 211366065 /nfs/dbraw/zinc/36/60/65/211366065.db2.gz PJTSRKYNHFOFIM-UHFFFAOYSA-N -1 0 383.351 3.865 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cnc1Br ZINC000097083578 211355915 /nfs/dbraw/zinc/35/59/15/211355915.db2.gz BEZOSDHQMLDDCD-UHFFFAOYSA-N -1 0 385.283 3.741 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000096361105 211336436 /nfs/dbraw/zinc/33/64/36/211336436.db2.gz OIGSZOLYDNESFH-UHFFFAOYSA-N -1 0 398.488 3.696 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1-c1nc(C2CC2)no1 ZINC000096379835 211338243 /nfs/dbraw/zinc/33/82/43/211338243.db2.gz LJQORMQOICOYQB-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000096379487 211337902 /nfs/dbraw/zinc/33/79/02/211337902.db2.gz WGOUTJNPKUBCEV-UHFFFAOYSA-N -1 0 394.403 3.638 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)cc1 ZINC000095358589 211223934 /nfs/dbraw/zinc/22/39/34/211223934.db2.gz DQEIMAASSPZBCW-IBGZPJMESA-N -1 0 375.428 3.795 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4O)n[nH]3)C2)c1 ZINC000095364342 211225993 /nfs/dbraw/zinc/22/59/93/211225993.db2.gz GTIGIDOKAKFSPP-INIZCTEOSA-N -1 0 391.427 3.500 50 0 GHAARM Cc1nn2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cnc2c1Cl ZINC000089534524 211181089 /nfs/dbraw/zinc/18/10/89/211181089.db2.gz XRUYTUBTZGRLOD-UHFFFAOYSA-N -1 0 390.774 3.511 50 0 GHAARM Cc1ccc(N2CCC(Cc3ccccc3C(F)(F)F)(C(=O)[O-])CC2)nn1 ZINC000071751846 211055654 /nfs/dbraw/zinc/05/56/54/211055654.db2.gz BNYIKMMDNYXELW-UHFFFAOYSA-N -1 0 379.382 3.718 50 0 GHAARM CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000071283063 211041844 /nfs/dbraw/zinc/04/18/44/211041844.db2.gz WFWCGAPRLUGDKE-CYBMUJFWSA-N -1 0 381.388 3.839 50 0 GHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)n1C ZINC000064863108 210951593 /nfs/dbraw/zinc/95/15/93/210951593.db2.gz JYLZSNDUCJZQAA-UHFFFAOYSA-N -1 0 384.885 3.581 50 0 GHAARM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1 ZINC000032971149 210610056 /nfs/dbraw/zinc/61/00/56/210610056.db2.gz OBVYDSGAZASFFN-OAHLLOKOSA-N -1 0 388.489 3.730 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000020991973 210372303 /nfs/dbraw/zinc/37/23/03/210372303.db2.gz JAGCVSXFWPAGHS-UHFFFAOYSA-N -1 0 390.490 3.514 50 0 GHAARM CCC(=O)NC([N-]c1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F ZINC000019944493 210310941 /nfs/dbraw/zinc/31/09/41/210310941.db2.gz SYCNSLYQAXVHOH-UHFFFAOYSA-N -1 0 394.113 3.603 50 0 GHAARM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[N-]O[C@H]1CCCCO1 ZINC000072058898 222204705 /nfs/dbraw/zinc/20/47/05/222204705.db2.gz XAALJXFWRLVPSB-SFHVURJKSA-N -1 0 398.290 3.913 50 0 GHAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2=O)cc1 ZINC000005329795 536562606 /nfs/dbraw/zinc/56/26/06/536562606.db2.gz TWQFMBJZHGGEHA-UHFFFAOYSA-N -1 0 388.489 3.630 50 0 GHAARM O=C([O-])c1cc(N2C(=S)N=NC2Cc2cc(F)cc(F)c2)ccc1Cl ZINC000012324602 570315039 /nfs/dbraw/zinc/31/50/39/570315039.db2.gz BOSWDQRBEIQURG-UHFFFAOYSA-N -1 0 381.791 3.777 50 0 GHAARM COc1c(Br)c(C)sc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237277151 570342167 /nfs/dbraw/zinc/34/21/67/570342167.db2.gz YYLDHSJHXPWYDY-SNVBAGLBSA-N -1 0 390.299 3.545 50 0 GHAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004614490 570387682 /nfs/dbraw/zinc/38/76/82/570387682.db2.gz CVERJTCOVKUCKG-UONOGXRCSA-N -1 0 385.441 3.807 50 0 GHAARM COC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004614488 570387699 /nfs/dbraw/zinc/38/76/99/570387699.db2.gz CVERJTCOVKUCKG-ZIAGYGMSSA-N -1 0 385.441 3.807 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000004652221 570389760 /nfs/dbraw/zinc/38/97/60/570389760.db2.gz WNONPYXRQSNKDT-DHMWGJHJSA-N -1 0 391.489 3.647 50 0 GHAARM CC(C)CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000024747149 570390832 /nfs/dbraw/zinc/39/08/32/570390832.db2.gz FUFBFZFANXZUIV-LLVKDONJSA-N -1 0 396.463 3.555 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000035557093 570395928 /nfs/dbraw/zinc/39/59/28/570395928.db2.gz PGZWJBMPGCLCLP-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CC[C@@](C)(C(=O)[O-])C4)cc3)o2)cc1 ZINC000237774236 570396320 /nfs/dbraw/zinc/39/63/20/570396320.db2.gz KRITXLKBKNAYDO-JOCHJYFZSA-N -1 0 391.427 3.649 50 0 GHAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccc(C)cc3s2)c1=O ZINC000100602516 570410868 /nfs/dbraw/zinc/41/08/68/570410868.db2.gz RWQKSEPWBAVGPT-UHFFFAOYSA-N -1 0 379.441 3.897 50 0 GHAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)nn1 ZINC000005150655 570428518 /nfs/dbraw/zinc/42/85/18/570428518.db2.gz VSFVMCRJYXLFJT-UHFFFAOYSA-N -1 0 375.475 3.795 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1Br)CC3 ZINC000006887299 570498284 /nfs/dbraw/zinc/49/82/84/570498284.db2.gz KFUPTKHCLQUXND-FMIVXFBMSA-N -1 0 397.228 3.802 50 0 GHAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c21 ZINC000006624142 570508170 /nfs/dbraw/zinc/50/81/70/570508170.db2.gz CSLQCSIPGCWTGF-UHFFFAOYSA-N -1 0 399.443 3.768 50 0 biogenic GHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(C)(C)C ZINC000032601608 570512134 /nfs/dbraw/zinc/51/21/34/570512134.db2.gz AKYWBPSVPADNBR-UHFFFAOYSA-N -1 0 377.462 3.882 50 0 GHAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3cccc(F)c3)s2)cc1 ZINC000032918468 570515943 /nfs/dbraw/zinc/51/59/43/570515943.db2.gz STJQNDBSLGECOC-UHFFFAOYSA-N -1 0 391.445 3.731 50 0 GHAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCc1ccccc1 ZINC000002970204 570523577 /nfs/dbraw/zinc/52/35/77/570523577.db2.gz NAEOBURDCJPCFW-UHFFFAOYSA-N -1 0 395.528 3.978 50 0 GHAARM COc1ccc(NC(=O)c2cnc([N-]c3nc4ccccc4o3)nc2C)cc1 ZINC000009089925 570548331 /nfs/dbraw/zinc/54/83/31/570548331.db2.gz CEYLBCWBSTZPJC-UHFFFAOYSA-N -1 0 375.388 3.931 50 0 GHAARM COc1ccccc1NC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1C ZINC000009328860 570555524 /nfs/dbraw/zinc/55/55/24/570555524.db2.gz DYSVZHBYMBQCFJ-UHFFFAOYSA-N -1 0 375.388 3.931 50 0 GHAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCCC2)c1 ZINC000022852429 570556619 /nfs/dbraw/zinc/55/66/19/570556619.db2.gz FXYYBMNELDKXPR-MRXNPFEDSA-N -1 0 396.472 3.950 50 0 GHAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)CCCC2 ZINC000005403216 570586816 /nfs/dbraw/zinc/58/68/16/570586816.db2.gz RVVULWZTDSZGDH-UHFFFAOYSA-N -1 0 388.880 3.600 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)c1 ZINC000064920260 570591062 /nfs/dbraw/zinc/59/10/62/570591062.db2.gz DYJXABZZMYSANP-UHFFFAOYSA-N -1 0 389.458 3.679 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947037 570603750 /nfs/dbraw/zinc/60/37/50/570603750.db2.gz TZBAIQBYCJWOFN-UHFFFAOYSA-N -1 0 398.488 3.557 50 0 GHAARM Cc1nc([N-]S(=O)(=O)c2c(Cl)cccc2Br)sc1C ZINC000225747279 570612857 /nfs/dbraw/zinc/61/28/57/570612857.db2.gz FALBECCGMIMSMN-UHFFFAOYSA-N -1 0 381.704 3.977 50 0 GHAARM O=C([O-])/C=C/c1cc(I)ccc1OCc1ccccc1 ZINC000012394656 570652673 /nfs/dbraw/zinc/65/26/73/570652673.db2.gz PRXMFLULFIJPHU-RMKNXTFCSA-N -1 0 380.181 3.968 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000012414323 570668503 /nfs/dbraw/zinc/66/85/03/570668503.db2.gz ZYTCDGCRMBTOEA-UHFFFAOYSA-N -1 0 395.433 3.636 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1F ZINC000065098726 570695933 /nfs/dbraw/zinc/69/59/33/570695933.db2.gz GCFWVRMXMBHWEP-UHFFFAOYSA-N -1 0 379.438 3.924 50 0 GHAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCCC4)cc1 ZINC000065150563 570711607 /nfs/dbraw/zinc/71/16/07/570711607.db2.gz DMRXEOBIVMIZLW-UHFFFAOYSA-N -1 0 384.457 3.825 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000065184014 570722470 /nfs/dbraw/zinc/72/24/70/570722470.db2.gz ZBJGTBYISTZMTR-UHFFFAOYSA-N -1 0 382.486 3.725 50 0 GHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)n1C ZINC000065194179 570725774 /nfs/dbraw/zinc/72/57/74/570725774.db2.gz SXLWJDDNUDUWEM-UHFFFAOYSA-N -1 0 386.477 3.679 50 0 GHAARM C[C@H](CS(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1ccccc1 ZINC000170050603 570795713 /nfs/dbraw/zinc/79/57/13/570795713.db2.gz MHEVGWHRFZRXJW-LLVKDONJSA-N -1 0 398.278 3.693 50 0 GHAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000005885942 570801268 /nfs/dbraw/zinc/80/12/68/570801268.db2.gz PVIFKWYXBFOPNU-UHFFFAOYSA-N -1 0 393.358 3.671 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccsc2)c1 ZINC000007230630 570817799 /nfs/dbraw/zinc/81/77/99/570817799.db2.gz WDGIOGYFIZKVFW-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3cccs3)s2)cc1 ZINC000004511370 570828325 /nfs/dbraw/zinc/82/83/25/570828325.db2.gz VEBYXVPTFFHLHK-UHFFFAOYSA-N -1 0 377.472 3.696 50 0 GHAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000065519606 570829721 /nfs/dbraw/zinc/82/97/21/570829721.db2.gz SPZUWRYVQSFIKW-MRXNPFEDSA-N -1 0 385.876 3.843 50 0 GHAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cn1 ZINC000033169147 570834421 /nfs/dbraw/zinc/83/44/21/570834421.db2.gz UZXLMOPGDVBJIT-UHFFFAOYSA-N -1 0 384.486 3.981 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4c(C)cccc4C)nn3c2=O)cc1 ZINC000101802963 570835176 /nfs/dbraw/zinc/83/51/76/570835176.db2.gz ZKRQCMFJEWOJOP-UHFFFAOYSA-N -1 0 387.487 3.854 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000012546162 570847543 /nfs/dbraw/zinc/84/75/43/570847543.db2.gz LDXZWGFIZDDBCP-HNNXBMFYSA-N -1 0 393.226 3.744 50 0 GHAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000012548589 570850789 /nfs/dbraw/zinc/85/07/89/570850789.db2.gz ZEPCSJAQCGEKCC-UHFFFAOYSA-N -1 0 398.872 3.560 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000033253644 570861705 /nfs/dbraw/zinc/86/17/05/570861705.db2.gz GMDBFVDOJGEOAS-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1cccs1 ZINC000102810608 570864898 /nfs/dbraw/zinc/86/48/98/570864898.db2.gz SENZBXYBAXBIOH-MRXNPFEDSA-N -1 0 394.456 3.743 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccccc2)C1 ZINC000102901136 570870887 /nfs/dbraw/zinc/87/08/87/570870887.db2.gz OZNYPTHBMCZDNU-KRWDZBQOSA-N -1 0 394.818 3.772 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003515858 570873926 /nfs/dbraw/zinc/87/39/26/570873926.db2.gz HWKVAVCQNFCQNA-UHFFFAOYSA-N -1 0 388.367 3.849 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2ccccc2o1 ZINC000003561040 570875386 /nfs/dbraw/zinc/87/53/86/570875386.db2.gz TXURKQANVVELKH-UHFFFAOYSA-N -1 0 399.453 3.942 50 0 GHAARM COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000170620267 570878086 /nfs/dbraw/zinc/87/80/86/570878086.db2.gz HCJNNMYDTSMMNR-LJQANCHMSA-N -1 0 396.443 3.555 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1N1CCCC1=O ZINC000012583330 570880015 /nfs/dbraw/zinc/88/00/15/570880015.db2.gz ZNRBFGNLJTYUQQ-UHFFFAOYSA-N -1 0 382.844 3.715 50 0 GHAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 ZINC000003864112 570884946 /nfs/dbraw/zinc/88/49/46/570884946.db2.gz KIIDVIXMIMGPRS-KGLIPLIRSA-N -1 0 379.478 3.873 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238069532 570945234 /nfs/dbraw/zinc/94/52/34/570945234.db2.gz JMIQBWJGAHQVBU-CABCVRRESA-N -1 0 386.275 3.579 50 0 GHAARM O=C([O-])C1(CC(=O)N[C@H](c2ccco2)c2ccccc2)Cc2ccccc2C1 ZINC000238046322 570945312 /nfs/dbraw/zinc/94/53/12/570945312.db2.gz FMRGRGPOBCLERD-NRFANRHFSA-N -1 0 375.424 3.745 50 0 GHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1ccccc1F ZINC000012652133 570947243 /nfs/dbraw/zinc/94/72/43/570947243.db2.gz FDEJADDJICCHHX-UHFFFAOYSA-N -1 0 377.466 3.836 50 0 GHAARM Cc1cc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)sc1C(=O)[O-] ZINC000055621697 861273292 /nfs/dbraw/zinc/27/32/92/861273292.db2.gz HWGRVMSIJMZERL-UHFFFAOYSA-N -1 0 395.433 3.882 50 0 GHAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2cccc(Cl)c2)C1 ZINC000079106092 848857562 /nfs/dbraw/zinc/85/75/62/848857562.db2.gz DRBTXDAJIHORAH-KRWDZBQOSA-N -1 0 386.835 3.891 50 0 GHAARM CCCCc1ccc(CC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000008393396 856189874 /nfs/dbraw/zinc/18/98/74/856189874.db2.gz XMHKFSJLDIGRPE-UHFFFAOYSA-N -1 0 375.490 3.710 50 0 GHAARM CCOc1cc(-c2ccc(OCC(=O)[O-])c(OC)c2)cc(=O)c2c(C)oc(C)c21 ZINC000008764684 856351672 /nfs/dbraw/zinc/35/16/72/856351672.db2.gz FDPHTEVVLANUOU-UHFFFAOYSA-N -1 0 398.411 3.948 50 0 biogenic GHAARM COc1ccc(Cc2nnc(Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1 ZINC000008997483 856695708 /nfs/dbraw/zinc/69/57/08/856695708.db2.gz SZCZAJIYXYVUHF-UHFFFAOYSA-N -1 0 376.338 3.939 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c1 ZINC000009686765 857307026 /nfs/dbraw/zinc/30/70/26/857307026.db2.gz UCZFXUUAHIJWNJ-UHFFFAOYSA-N -1 0 375.475 3.758 50 0 GHAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000007990189 862970928 /nfs/dbraw/zinc/97/09/28/862970928.db2.gz SDLFUNMRJMOAST-AWEZNQCLSA-N -1 0 388.272 3.796 50 0 GHAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC[C@]4(C3)OCc3ccccc34)c12 ZINC000521252493 863383934 /nfs/dbraw/zinc/38/39/34/863383934.db2.gz IPWPYTTTXREQQM-HXUWFJFHSA-N -1 0 381.457 3.724 50 0 GHAARM Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191212116 906753071 /nfs/dbraw/zinc/75/30/71/906753071.db2.gz LEZNJYFWRGYRAN-AWEZNQCLSA-N -1 0 375.856 3.551 50 0 GHAARM CC(=NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000254451956 916723400 /nfs/dbraw/zinc/72/34/00/916723400.db2.gz YMMOOJPJQRIRSF-UHFFFAOYSA-N -1 0 393.808 3.697 50 0 GHAARM Cc1cc(/C=C\c2nc(C(=O)[O-])c(Br)s2)ccc1-n1cncn1 ZINC000486010795 926469644 /nfs/dbraw/zinc/46/96/44/926469644.db2.gz XNSOGRFKVUJUPS-HYXAFXHYSA-N -1 0 391.250 3.663 50 0 GHAARM COc1ccc(OC)c(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])c1 ZINC000015822174 1021291357 /nfs/dbraw/zinc/29/13/57/1021291357.db2.gz AQBDVDOQDCBHMK-OVCLIPMQSA-N -1 0 396.226 3.866 50 0 GHAARM CC(C)NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017080678 210204272 /nfs/dbraw/zinc/20/42/72/210204272.db2.gz SJHNAKHYQHPONL-GFCCVEGCSA-N -1 0 394.537 3.841 50 0 GHAARM COC(=O)c1c(C)c(C)sc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000013249577 210055637 /nfs/dbraw/zinc/05/56/37/210055637.db2.gz RLTORAYGLARFIP-LJQANCHMSA-N -1 0 375.446 3.523 50 0 GHAARM C[C@@H](Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)C(=O)[O-] ZINC000013138612 210053319 /nfs/dbraw/zinc/05/33/19/210053319.db2.gz RTKZEKHXMGPVEL-LLVKDONJSA-N -1 0 386.498 3.891 50 0 GHAARM COc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1C(=O)[O-] ZINC000012941252 210033558 /nfs/dbraw/zinc/03/35/58/210033558.db2.gz RXLYCBGXKOHCSI-UHFFFAOYSA-N -1 0 388.470 3.817 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000006982575 209712564 /nfs/dbraw/zinc/71/25/64/209712564.db2.gz JWJLFWDTEYNUFX-UHFFFAOYSA-N -1 0 384.395 3.885 50 0 GHAARM O=C(Cc1ccccc1)NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000005128746 209572909 /nfs/dbraw/zinc/57/29/09/209572909.db2.gz NKFNQORAJSPULM-UHFFFAOYSA-N -1 0 392.406 3.808 50 0 GHAARM COc1cc(NC(=O)COc2ccccc2C(C)(C)C)c(C(=O)[O-])cc1OC ZINC000004828625 209531279 /nfs/dbraw/zinc/53/12/79/209531279.db2.gz LSLCBTJSJRMJAL-UHFFFAOYSA-N -1 0 387.432 3.717 50 0 GHAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn(-c4nc(C)cc(C)n4)c3n2)cc1 ZINC000003885031 209457077 /nfs/dbraw/zinc/45/70/77/209457077.db2.gz XXDFTFQXFRYHKE-UHFFFAOYSA-N -1 0 389.415 3.510 50 0 GHAARM Cc1cc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)nn1C ZINC000002731330 209380013 /nfs/dbraw/zinc/38/00/13/209380013.db2.gz FNRZPQKKSAUTFK-UHFFFAOYSA-N -1 0 385.884 3.889 50 0 GHAARM O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(Nc2ccccc2)c(Cl)c1=O)C3 ZINC000002339581 209356861 /nfs/dbraw/zinc/35/68/61/209356861.db2.gz NJFDYXSROPTPFM-HXJMXURKSA-N -1 0 399.878 3.876 50 0 GHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)Cl)cc1 ZINC000001070908 209296619 /nfs/dbraw/zinc/29/66/19/209296619.db2.gz MUVXXCLROKIZJL-UHFFFAOYSA-N -1 0 377.796 3.972 50 0 GHAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000852086 209273297 /nfs/dbraw/zinc/27/32/97/209273297.db2.gz QHBOLETWBUDYPZ-IZZDOVSWSA-N -1 0 399.497 3.904 50 0 GHAARM C[C@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000784104 209265463 /nfs/dbraw/zinc/26/54/63/209265463.db2.gz NIWFWRJMWPTYMP-AWEZNQCLSA-N -1 0 376.453 3.641 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c12 ZINC000009316371 209263947 /nfs/dbraw/zinc/26/39/47/209263947.db2.gz BALNOSHYLHUVKZ-HNNXBMFYSA-N -1 0 398.466 3.922 50 0 GHAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621914 209250675 /nfs/dbraw/zinc/25/06/75/209250675.db2.gz SCSSXJVRZMQUKA-NRFANRHFSA-N -1 0 388.423 3.616 50 0 GHAARM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2OCC(C)(C)C1=O ZINC000009166352 209248725 /nfs/dbraw/zinc/24/87/25/209248725.db2.gz YELUADFCSYOGJJ-UHFFFAOYSA-N -1 0 394.518 3.629 50 0 GHAARM CCOc1cc(/C=C\c2nc3ccccc3c(=O)n2CCCC(=O)[O-])ccc1O ZINC000096196512 209240144 /nfs/dbraw/zinc/24/01/44/209240144.db2.gz GRCCLPPNZSRUPS-BENRWUELSA-N -1 0 394.427 3.536 50 0 GHAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002103381 209229035 /nfs/dbraw/zinc/22/90/35/209229035.db2.gz TYNFGTITQMIRRH-UHFFFAOYSA-N -1 0 399.443 3.686 50 0 biogenic GHAARM Cc1ccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)s1 ZINC000097993396 211970087 /nfs/dbraw/zinc/97/00/87/211970087.db2.gz MURBISKWKKNBNW-JLHYYAGUSA-N -1 0 383.516 3.528 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000101171761 211395855 /nfs/dbraw/zinc/39/58/55/211395855.db2.gz JUWYYFHKXWWBCN-QZTJIDSGSA-N -1 0 382.851 3.759 50 0 GHAARM COCc1[n-]n2c(ncc(-c3ccccc3)c2=O)c1-c1ccc(OC)c(OC)c1 ZINC000100241529 211384831 /nfs/dbraw/zinc/38/48/31/211384831.db2.gz AMMMBSXQWPPTEB-UHFFFAOYSA-N -1 0 391.427 3.520 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1 ZINC000096117451 211302132 /nfs/dbraw/zinc/30/21/32/211302132.db2.gz QAUXDYLAKNSRJP-INIZCTEOSA-N -1 0 384.395 3.593 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)c1 ZINC000095355559 211221427 /nfs/dbraw/zinc/22/14/27/211221427.db2.gz GJJCRXQJRVPODT-IBGZPJMESA-N -1 0 375.428 3.795 50 0 GHAARM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)[nH]n1 ZINC000089505569 211181163 /nfs/dbraw/zinc/18/11/63/211181163.db2.gz LGPVKEBQVZXQSR-UHFFFAOYSA-N -1 0 399.929 3.987 50 0 GHAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000080356610 211158162 /nfs/dbraw/zinc/15/81/62/211158162.db2.gz GSTCJVZGJHCLNW-KRWDZBQOSA-N -1 0 386.860 3.948 50 0 GHAARM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCOc2cc(C)cc(C)c2)cc1 ZINC000071946874 211066660 /nfs/dbraw/zinc/06/66/60/211066660.db2.gz PCJDCTZRPFBEKQ-UHFFFAOYSA-N -1 0 375.490 3.530 50 0 GHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)COCc2ccccc2Cl)c1C ZINC000071946936 211065638 /nfs/dbraw/zinc/06/56/38/211065638.db2.gz XEJSOJGLAXHVOX-UHFFFAOYSA-N -1 0 395.908 3.595 50 0 GHAARM Cc1nn(CC(=O)[O-])c2c1[C@H](c1ccc(-c3ccccc3Cl)o1)CC(=O)N2 ZINC000065382909 210991096 /nfs/dbraw/zinc/99/10/96/210991096.db2.gz VCDGKZYBIILGDL-LBPRGKRZSA-N -1 0 385.807 3.664 50 0 GHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055149380 210881116 /nfs/dbraw/zinc/88/11/16/210881116.db2.gz HXLBJTPZTCMPMA-ROUUACIJSA-N -1 0 378.428 3.853 50 0 GHAARM CCCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000024925589 210473058 /nfs/dbraw/zinc/47/30/58/210473058.db2.gz YEHLNFOIWOWWHD-UHFFFAOYSA-N -1 0 378.469 3.807 50 0 GHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)s2)on1 ZINC000021540594 210385888 /nfs/dbraw/zinc/38/58/88/210385888.db2.gz QLQQXORYCLEKDH-UHFFFAOYSA-N -1 0 398.849 3.644 50 0 GHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)C4CC4)c(C(=O)[O-])c3)CC2)c1C ZINC000064590131 136157230 /nfs/dbraw/zinc/15/72/30/136157230.db2.gz ZCSZEJKARFRQJS-UHFFFAOYSA-N -1 0 393.487 3.677 50 0 GHAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000008840722 136195752 /nfs/dbraw/zinc/19/57/52/136195752.db2.gz PIICWLASHOPMDI-UHFFFAOYSA-N -1 0 376.453 3.706 50 0 GHAARM C[C@@H](Oc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000096124561 525921622 /nfs/dbraw/zinc/92/16/22/525921622.db2.gz NVNTYZUKQMMXBA-QXYGSRGCSA-N -1 0 388.803 3.859 50 0 GHAARM O=S(=O)([N-]c1ccccc1-n1cccn1)c1ccccc1OC(F)(F)F ZINC000048353793 570240975 /nfs/dbraw/zinc/24/09/75/570240975.db2.gz QNQUAPSOHDXTLJ-UHFFFAOYSA-N -1 0 383.351 3.572 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1F ZINC000005084127 570272800 /nfs/dbraw/zinc/27/28/00/570272800.db2.gz PSGVHHRYTQFCQW-UHFFFAOYSA-N -1 0 375.450 3.596 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1 ZINC000000792972 570334486 /nfs/dbraw/zinc/33/44/86/570334486.db2.gz UDQSJMIGSAKCQB-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccs1 ZINC000023054829 570341981 /nfs/dbraw/zinc/34/19/81/570341981.db2.gz PAGHCPZBSQIVCS-UHFFFAOYSA-N -1 0 392.481 3.673 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006221734 570343721 /nfs/dbraw/zinc/34/37/21/570343721.db2.gz KLTNBKGZTGILEM-QZTJIDSGSA-N -1 0 385.464 3.746 50 0 GHAARM CCc1cc2c([n-]c(=S)n(CCc3ccc(OC)c(OC)c3)c2=O)s1 ZINC000003886908 570353497 /nfs/dbraw/zinc/35/34/97/570353497.db2.gz XOEHWRNANCATGT-UHFFFAOYSA-N -1 0 376.503 3.943 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000006316872 570377079 /nfs/dbraw/zinc/37/70/79/570377079.db2.gz FRBGBDJAQZVXRJ-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237677930 570389650 /nfs/dbraw/zinc/38/96/50/570389650.db2.gz ALGSHGCXDAMFQD-LLVKDONJSA-N -1 0 384.379 3.684 50 0 GHAARM Cc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C3CCOCC3)c(F)c2)cc1 ZINC000237711486 570391688 /nfs/dbraw/zinc/39/16/88/570391688.db2.gz KEIWWEQQXXCSPS-UHFFFAOYSA-N -1 0 385.435 3.897 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2F)C1 ZINC000238001474 570419635 /nfs/dbraw/zinc/41/96/35/570419635.db2.gz XCJBNOMFQQWGLX-GFCCVEGCSA-N -1 0 386.261 3.624 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)s1 ZINC000005136607 570423537 /nfs/dbraw/zinc/42/35/37/570423537.db2.gz LMJODRBYLLEQOM-UHFFFAOYSA-N -1 0 378.519 3.793 50 0 GHAARM CCOC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C(C)=O)cc1 ZINC000005145132 570426835 /nfs/dbraw/zinc/42/68/35/570426835.db2.gz BYSBTOYBWJGZAO-UHFFFAOYSA-N -1 0 388.445 3.706 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000006477527 570447377 /nfs/dbraw/zinc/44/73/77/570447377.db2.gz RYCSZSZVWWEMGL-SFHVURJKSA-N -1 0 396.443 3.555 50 0 GHAARM CCCCNC(=O)[N-]S(=O)(=O)c1cnccc1Sc1ccc(Cl)cc1 ZINC000006486164 570481450 /nfs/dbraw/zinc/48/14/50/570481450.db2.gz AMYIZBRLCVQELX-UHFFFAOYSA-N -1 0 399.925 3.674 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1OC(F)F)CC3 ZINC000007156513 570500925 /nfs/dbraw/zinc/50/09/25/570500925.db2.gz CWIFLTRLZXUFCU-FMIVXFBMSA-N -1 0 384.338 3.640 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000002936902 570551797 /nfs/dbraw/zinc/55/17/97/570551797.db2.gz HMMRPPFCANKRPI-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM CCCCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(C)(=O)=O ZINC000032971196 570554170 /nfs/dbraw/zinc/55/41/70/570554170.db2.gz FTOVXBMWWSBXJN-UHFFFAOYSA-N -1 0 376.478 3.563 50 0 GHAARM C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(F)c2)C1 ZINC000032971140 570555126 /nfs/dbraw/zinc/55/51/26/570555126.db2.gz NIYIXBDVZXRYNW-ZDUSSCGKSA-N -1 0 392.452 3.561 50 0 GHAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCCC2)c1 ZINC000022852431 570556488 /nfs/dbraw/zinc/55/64/88/570556488.db2.gz FXYYBMNELDKXPR-INIZCTEOSA-N -1 0 396.472 3.950 50 0 GHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)c1 ZINC000032971366 570556730 /nfs/dbraw/zinc/55/67/30/570556730.db2.gz HTASCUMUKIYXGN-UHFFFAOYSA-N -1 0 392.433 3.841 50 0 GHAARM CCSc1nnc([N-]C(=O)c2nnn(-c3ccccc3)c2-c2ccco2)s1 ZINC000012274683 570631976 /nfs/dbraw/zinc/63/19/76/570631976.db2.gz NQPZFPQJQFVATR-UHFFFAOYSA-N -1 0 398.473 3.743 50 0 GHAARM O=S(=O)([N-]c1cccnc1)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000064988145 570632413 /nfs/dbraw/zinc/63/24/13/570632413.db2.gz XUTNHWHEKDCZFA-UHFFFAOYSA-N -1 0 396.403 3.739 50 0 GHAARM Cc1[n-]n2c(nc(C)c(CCC(=O)Nc3ccccc3)c2=O)c1-c1ccccc1 ZINC000012409806 570655662 /nfs/dbraw/zinc/65/56/62/570655662.db2.gz MEAFVDMOGGOEEP-UHFFFAOYSA-N -1 0 386.455 3.878 50 0 GHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)COc1ccccc1Cl ZINC000238142915 570679288 /nfs/dbraw/zinc/67/92/88/570679288.db2.gz AZWRWHJXJYZYSZ-UHFFFAOYSA-N -1 0 383.778 3.501 50 0 GHAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1ccccc1Br ZINC000065153411 570716763 /nfs/dbraw/zinc/71/67/63/570716763.db2.gz SYVBATPTGBOKSJ-UHFFFAOYSA-N -1 0 385.264 3.966 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(C)s1 ZINC000128935187 570725939 /nfs/dbraw/zinc/72/59/39/570725939.db2.gz UEJXKZRAZYCZAA-OAHLLOKOSA-N -1 0 377.491 3.894 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2cc(C)ccc2C)[n-]c2ccccc2c1=O ZINC000006974080 570726180 /nfs/dbraw/zinc/72/61/80/570726180.db2.gz YCRICPSIUNOAGK-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(I)cc1 ZINC000004840932 570730857 /nfs/dbraw/zinc/73/08/57/570730857.db2.gz RGEAJSXUHHMNNJ-UHFFFAOYSA-N -1 0 381.169 3.550 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1=O ZINC000065215419 570733916 /nfs/dbraw/zinc/73/39/16/570733916.db2.gz HIIYOSILDHKEKR-UHFFFAOYSA-N -1 0 398.362 3.939 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246299 570747065 /nfs/dbraw/zinc/74/70/65/570747065.db2.gz VJRVFFPAVNORKT-UHFFFAOYSA-N -1 0 377.422 3.653 50 0 GHAARM CCc1ccccc1NC(=O)c1c([O-])c2cnn(-c3ccc(C)cc3)c2[nH]c1=O ZINC000065249970 570748474 /nfs/dbraw/zinc/74/84/74/570748474.db2.gz OLXDXGHBYCQSSJ-UHFFFAOYSA-N -1 0 388.427 3.543 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(Cl)cc2)c3[O-])c1 ZINC000065250055 570748878 /nfs/dbraw/zinc/74/88/78/570748878.db2.gz PTBIXTSUZLIBKD-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM Cc1cnn(-c2ccc([C@@H](C)NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2F)c1 ZINC000170044300 570792189 /nfs/dbraw/zinc/79/21/89/570792189.db2.gz SDBAMBCHHNKRDH-OAHLLOKOSA-N -1 0 395.434 3.828 50 0 GHAARM NC(=O)c1c2c(sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)CCCC2 ZINC000005897833 570801861 /nfs/dbraw/zinc/80/18/61/570801861.db2.gz IYDUHBPEAJPSCC-UHFFFAOYSA-N -1 0 390.333 3.674 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1 ZINC000101298393 570818782 /nfs/dbraw/zinc/81/87/82/570818782.db2.gz KPEODIKQBBZNNB-LJQANCHMSA-N -1 0 388.427 3.736 50 0 GHAARM O=C(Nc1ccc(F)cc1F)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723501 570830248 /nfs/dbraw/zinc/83/02/48/570830248.db2.gz KWIKDGWEPGNEOD-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1C ZINC000012536150 570836218 /nfs/dbraw/zinc/83/62/18/570836218.db2.gz JNFMAGSSPZISIC-UHFFFAOYSA-N -1 0 390.505 3.580 50 0 GHAARM O=c1oc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2)nc2ccccc21 ZINC000101830566 570836326 /nfs/dbraw/zinc/83/63/26/570836326.db2.gz HFLJZGUOTHQWKM-UHFFFAOYSA-N -1 0 378.409 3.656 50 0 GHAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000012536296 570836648 /nfs/dbraw/zinc/83/66/48/570836648.db2.gz YECAIQHHLIVVGZ-UHFFFAOYSA-N -1 0 398.488 3.557 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)NC(C)C ZINC000101832882 570836631 /nfs/dbraw/zinc/83/66/31/570836631.db2.gz VYVZALOVLICRJU-UHFFFAOYSA-N -1 0 384.505 3.775 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NCCOc1ccccc1Cl ZINC000004694087 570839165 /nfs/dbraw/zinc/83/91/65/570839165.db2.gz OOPVGCYERJXBMK-KRWDZBQOSA-N -1 0 399.878 3.654 50 0 GHAARM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)Nc1ccc(F)cc1Cl ZINC000102137478 570841841 /nfs/dbraw/zinc/84/18/41/570841841.db2.gz UJDDGFOLRCDJDA-UHFFFAOYSA-N -1 0 397.859 3.587 50 0 GHAARM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)cc1 ZINC000012552268 570855733 /nfs/dbraw/zinc/85/57/33/570855733.db2.gz CVEYCXIQRZALAU-UHFFFAOYSA-N -1 0 398.509 3.879 50 0 GHAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC)cc1 ZINC000033253851 570862031 /nfs/dbraw/zinc/86/20/31/570862031.db2.gz OGNGAUDJIGUWRG-UHFFFAOYSA-N -1 0 390.505 3.984 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102818537 570865304 /nfs/dbraw/zinc/86/53/04/570865304.db2.gz NDXJMMADIJLPDS-HZPDHXFCSA-N -1 0 388.349 3.820 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2F)cc1 ZINC000102901265 570870851 /nfs/dbraw/zinc/87/08/51/570870851.db2.gz FZKADKVPNBJFHS-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM O=C(NCCc1cccc2cccnc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047073849 570939311 /nfs/dbraw/zinc/93/93/11/570939311.db2.gz QBBPMRDSGNSJNR-UHFFFAOYSA-N -1 0 376.441 3.519 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238068925 570945303 /nfs/dbraw/zinc/94/53/03/570945303.db2.gz CAQURYMQGATNFK-UONOGXRCSA-N -1 0 386.275 3.579 50 0 GHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-])occ3C(C)(C)C ZINC000002123074 570957160 /nfs/dbraw/zinc/95/71/60/570957160.db2.gz VSSVMIJBBAGQFJ-LBPRGKRZSA-N -1 0 399.443 3.667 50 0 biogenic GHAARM O=C([O-])CCCCCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000004143541 570963709 /nfs/dbraw/zinc/96/37/09/570963709.db2.gz CHUNOHPPPKLHTE-UHFFFAOYSA-N -1 0 390.233 3.843 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000007726608 571024453 /nfs/dbraw/zinc/02/44/53/571024453.db2.gz AHZGFVYIVFGPBU-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(Br)c1 ZINC000028940273 600808024 /nfs/dbraw/zinc/80/80/24/600808024.db2.gz ZDEAUCSTQCLKLM-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1ccnc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)c1 ZINC000013284516 836342701 /nfs/dbraw/zinc/34/27/01/836342701.db2.gz TZBRMOSHZAPWGK-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM C[C@@H]1CCCC[C@H]1NC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925475 861799807 /nfs/dbraw/zinc/79/98/07/861799807.db2.gz MVTMKEGACGXMGE-CHWSQXEVSA-N -1 0 379.551 3.986 50 0 GHAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000003329680 862344051 /nfs/dbraw/zinc/34/40/51/862344051.db2.gz GCCRIYBEJSCRLI-UHFFFAOYSA-N -1 0 391.779 3.529 50 0 GHAARM Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(=O)[O-])c2)CCCC1 ZINC000004043043 862737224 /nfs/dbraw/zinc/73/72/24/862737224.db2.gz WEJABYGOYBXPLK-UHFFFAOYSA-N -1 0 377.448 3.859 50 0 GHAARM CCC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000008968565 856679365 /nfs/dbraw/zinc/67/93/65/856679365.db2.gz HZIWXBORCJNOMR-FOCLMDBBSA-N -1 0 387.798 3.838 50 0 GHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000009002298 856696541 /nfs/dbraw/zinc/69/65/41/856696541.db2.gz PIEREGQWOIFADG-UHFFFAOYSA-N -1 0 391.470 3.887 50 0 GHAARM CCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 ZINC000009088457 856767104 /nfs/dbraw/zinc/76/71/04/856767104.db2.gz CCRCLUVMKOOWPO-UHFFFAOYSA-N -1 0 396.472 3.804 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004175729 862840882 /nfs/dbraw/zinc/84/08/82/862840882.db2.gz MPBFIDDFCGZAMS-SFHVURJKSA-N -1 0 386.835 3.891 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c(C)c1 ZINC000009355927 857163393 /nfs/dbraw/zinc/16/33/93/857163393.db2.gz OWTPFWCEBQSWJF-UHFFFAOYSA-N -1 0 392.908 3.994 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009646432 857275250 /nfs/dbraw/zinc/27/52/50/857275250.db2.gz UHWCEOJFUDYQSH-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C(=O)N1CCCC1 ZINC000009684162 857304972 /nfs/dbraw/zinc/30/49/72/857304972.db2.gz JTIKPDFOHSZRLI-UHFFFAOYSA-N -1 0 395.912 3.630 50 0 GHAARM COc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc(Br)c1O ZINC000170651770 860519167 /nfs/dbraw/zinc/51/91/67/860519167.db2.gz RIUJZEQUXILADS-ZUVMSYQZSA-N -1 0 382.235 3.888 50 0 GHAARM CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000095644644 860635572 /nfs/dbraw/zinc/63/55/72/860635572.db2.gz GBYMYPWDCSUFAK-SXCZBBCHSA-N -1 0 384.557 3.903 50 0 in-vitro GHAARM Cc1cc(OC(F)F)c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC000262810028 892354039 /nfs/dbraw/zinc/35/40/39/892354039.db2.gz DHKBNEJFBYQYRS-OLZOCXBDSA-N -1 0 381.400 3.598 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000652122937 930485466 /nfs/dbraw/zinc/48/54/66/930485466.db2.gz RNMYSQXSAVLGAL-ACRUOGEOSA-N -1 0 379.456 3.839 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1ccccc1 ZINC000017249741 210208449 /nfs/dbraw/zinc/20/84/49/210208449.db2.gz LKYHWUIHARVDTO-UHFFFAOYSA-N -1 0 380.429 3.636 50 0 GHAARM CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSCC(=O)[O-] ZINC000017080394 210204204 /nfs/dbraw/zinc/20/42/04/210204204.db2.gz LGOXFTIVUMVRPK-UHFFFAOYSA-N -1 0 393.486 3.738 50 0 GHAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081511 210203926 /nfs/dbraw/zinc/20/39/26/210203926.db2.gz XVAVCBYNMLTFDK-HUUCEWRRSA-N -1 0 398.484 3.736 50 0 GHAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2s1 ZINC000013348836 210059524 /nfs/dbraw/zinc/05/95/24/210059524.db2.gz HMKTWVKAZBHSNY-UHFFFAOYSA-N -1 0 398.416 3.590 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013027031 210047202 /nfs/dbraw/zinc/04/72/02/210047202.db2.gz QEZHKZSPRKTUBL-FQEVSTJZSA-N -1 0 387.501 3.709 50 0 GHAARM NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007727549 209742225 /nfs/dbraw/zinc/74/22/25/209742225.db2.gz GQZGCNLWGHQYCN-UHFFFAOYSA-N -1 0 385.228 3.639 50 0 GHAARM O=C([O-])CCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002835576 209390497 /nfs/dbraw/zinc/39/04/97/209390497.db2.gz IZIUIEICIGLJQW-UHFFFAOYSA-N -1 0 380.322 3.761 50 0 GHAARM O=c1c2ccccc2[n-]c(=S)n1CCCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002554067 209369587 /nfs/dbraw/zinc/36/95/87/209369587.db2.gz CTVZZWIQSXBVFP-UHFFFAOYSA-N -1 0 394.422 3.868 50 0 GHAARM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)CCC(=O)[O-] ZINC000002657840 209375141 /nfs/dbraw/zinc/37/51/41/209375141.db2.gz BBMMUTCDVDPEJZ-UHFFFAOYSA-N -1 0 381.407 3.502 50 0 GHAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002351296 209358365 /nfs/dbraw/zinc/35/83/65/209358365.db2.gz AOKHDDCDNPSFLX-UHFFFAOYSA-N -1 0 376.409 3.511 50 0 GHAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000001475592 209331262 /nfs/dbraw/zinc/33/12/62/209331262.db2.gz YUSDCUSKQJKIKO-MDZDMXLPSA-N -1 0 399.512 3.736 50 0 GHAARM CCC(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000001217991 209315978 /nfs/dbraw/zinc/31/59/78/209315978.db2.gz ZGYVRFPZNQROKI-UHFFFAOYSA-N -1 0 398.488 3.805 50 0 GHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1C ZINC000000790854 209265696 /nfs/dbraw/zinc/26/56/96/209265696.db2.gz QEZAODJQOSNRED-UHFFFAOYSA-N -1 0 381.457 3.752 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1C ZINC000000643653 209253785 /nfs/dbraw/zinc/25/37/85/209253785.db2.gz RQJXQLOUBKWWSG-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103214 209228167 /nfs/dbraw/zinc/22/81/67/209228167.db2.gz GBVFPGPXTHTWFB-KRWDZBQOSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM CCCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003765113 212063447 /nfs/dbraw/zinc/06/34/47/212063447.db2.gz STYWVPJADHBCHK-LJQANCHMSA-N -1 0 391.489 3.668 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1C ZINC000013345406 211696667 /nfs/dbraw/zinc/69/66/67/211696667.db2.gz CDFUMNAXBYSLKR-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM CC(C)COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000002107940 211512911 /nfs/dbraw/zinc/51/29/11/211512911.db2.gz PNQHONFIHAEHLR-FQEVSTJZSA-N -1 0 380.444 3.628 50 0 biogenic GHAARM O=S(=O)([N-]c1nncn1Cc1ccccc1)c1ccc(Cl)c2ccccc21 ZINC000128203801 211481490 /nfs/dbraw/zinc/48/14/90/211481490.db2.gz UWOJFZONMGDTPK-UHFFFAOYSA-N -1 0 398.875 3.934 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C)o3)c2C)c1 ZINC000096379408 211338290 /nfs/dbraw/zinc/33/82/90/211338290.db2.gz YYYNVCMNPBQJEO-UHFFFAOYSA-N -1 0 378.479 3.513 50 0 GHAARM CC(C)c1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000096361043 211336868 /nfs/dbraw/zinc/33/68/68/211336868.db2.gz FNCKOBXFUGKEOH-UHFFFAOYSA-N -1 0 384.461 3.586 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1Cl ZINC000096006237 211293456 /nfs/dbraw/zinc/29/34/56/211293456.db2.gz AJJDZAPGQUBKOW-UHFFFAOYSA-N -1 0 396.896 3.535 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Cc3cc(F)c(F)c(F)c3)C2)c1 ZINC000095360751 211223953 /nfs/dbraw/zinc/22/39/53/211223953.db2.gz KGWHIUCMQLYDAR-OAHLLOKOSA-N -1 0 377.362 3.751 50 0 GHAARM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000089632055 211180945 /nfs/dbraw/zinc/18/09/45/211180945.db2.gz SQUNRZHIXCPCAD-LJQANCHMSA-N -1 0 396.443 3.555 50 0 GHAARM CC(=O)c1cc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cs1 ZINC000082107881 211162857 /nfs/dbraw/zinc/16/28/57/211162857.db2.gz RCEQSBGUAXCZNV-UHFFFAOYSA-N -1 0 377.437 3.588 50 0 GHAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCc3nc4ccccc4[nH]3)n2)cc1 ZINC000078939027 211151869 /nfs/dbraw/zinc/15/18/69/211151869.db2.gz JFQPXMGMMXTZNU-UHFFFAOYSA-N -1 0 389.459 3.550 50 0 GHAARM Cn1cc(C(=O)N2CCC[C@@](Cc3ccccc3)(C(=O)[O-])C2)c2ccccc21 ZINC000071751248 211056194 /nfs/dbraw/zinc/05/61/94/211056194.db2.gz PLACYLBQSMIBNT-QHCPKHFHSA-N -1 0 376.456 3.728 50 0 GHAARM O=C([O-])c1n[nH]cc1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067654741 211014282 /nfs/dbraw/zinc/01/42/82/211014282.db2.gz YIUISJUMLMWQSH-UHFFFAOYSA-N -1 0 399.834 3.529 50 0 GHAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000299743676 210827353 /nfs/dbraw/zinc/82/73/53/210827353.db2.gz OPWRHSVATRRDGD-CYBMUJFWSA-N -1 0 380.375 3.694 50 0 GHAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1C)CC2 ZINC000021044404 210377228 /nfs/dbraw/zinc/37/72/28/210377228.db2.gz XFGACVIYTJBGPR-SFHVURJKSA-N -1 0 398.459 3.927 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000019765477 210295557 /nfs/dbraw/zinc/29/55/57/210295557.db2.gz LXZQVWGFWHPFEY-GOSISDBHSA-N -1 0 377.421 3.962 50 0 GHAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000012902519 221244423 /nfs/dbraw/zinc/24/44/23/221244423.db2.gz UZMDXBULMZURDG-UHFFFAOYSA-N -1 0 386.807 3.546 50 0 GHAARM CC(C)CC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589803 136157144 /nfs/dbraw/zinc/15/71/44/136157144.db2.gz RLTZZMLRHFIYCD-UHFFFAOYSA-N -1 0 399.466 3.835 50 0 GHAARM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F)N1CCCC1 ZINC000040135002 221911273 /nfs/dbraw/zinc/91/12/73/221911273.db2.gz GDUYULJAOAWDRV-UHFFFAOYSA-N -1 0 382.844 3.516 50 0 GHAARM Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022626668 570227504 /nfs/dbraw/zinc/22/75/04/570227504.db2.gz RLGKCLRDVLGPDZ-CYBMUJFWSA-N -1 0 399.303 3.533 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccnc1 ZINC000006167899 570279583 /nfs/dbraw/zinc/27/95/83/570279583.db2.gz AORHCINVXBKWCZ-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM O=C([O-])CSc1nnc(COc2cccc3cccnc32)n1-c1ccccc1 ZINC000004171784 570360925 /nfs/dbraw/zinc/36/09/25/570360925.db2.gz YMGDRMHBSQJXPI-UHFFFAOYSA-N -1 0 392.440 3.571 50 0 GHAARM COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000004547383 570383313 /nfs/dbraw/zinc/38/33/13/570383313.db2.gz CBJHTJVENVOGQK-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM Cc1csc(C2CCN(C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)CC2)n1 ZINC000237630344 570385629 /nfs/dbraw/zinc/38/56/29/570385629.db2.gz GSXDCZYFVBBSST-UHFFFAOYSA-N -1 0 388.489 3.552 50 0 GHAARM COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000004593114 570386425 /nfs/dbraw/zinc/38/64/25/570386425.db2.gz KGJJBOWHAIMDCS-UHFFFAOYSA-N -1 0 390.823 3.794 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(-c2noc(C)n2)c1 ZINC000035556783 570395906 /nfs/dbraw/zinc/39/59/06/570395906.db2.gz CGQJSHQVCURWDG-UHFFFAOYSA-N -1 0 379.825 3.508 50 0 GHAARM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000025047635 570404046 /nfs/dbraw/zinc/40/40/46/570404046.db2.gz BWYZKGHSLFSDGL-UHFFFAOYSA-N -1 0 380.897 3.931 50 0 GHAARM CCOc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cnc3n2CCC3)c1 ZINC000090655242 570406934 /nfs/dbraw/zinc/40/69/34/570406934.db2.gz QTZJYQKPRYOMFX-UHFFFAOYSA-N -1 0 383.473 3.696 50 0 GHAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCCCC3)[nH]c2C[C@H]1C ZINC000004916941 570418333 /nfs/dbraw/zinc/41/83/33/570418333.db2.gz MHHZRJRWCRQQHM-MLGOLLRUSA-N -1 0 375.465 3.757 50 0 GHAARM O=C(C1CC1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000005136484 570424619 /nfs/dbraw/zinc/42/46/19/570424619.db2.gz ABZSIDJHAKHPST-UHFFFAOYSA-N -1 0 396.921 3.892 50 0 GHAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ncn(C)c1Cl)oc1ccccc12 ZINC000026529068 570426575 /nfs/dbraw/zinc/42/65/75/570426575.db2.gz CIHKPQOHTGZQOR-UHFFFAOYSA-N -1 0 391.836 3.782 50 0 GHAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238899945 570427490 /nfs/dbraw/zinc/42/74/90/570427490.db2.gz HJFGYKFSCCKELB-MQMHXKEQSA-N -1 0 376.453 3.878 50 0 GHAARM CC(C)(C)OC(=O)N1[C@@H](c2ccc(Br)cc2)SC[C@@H]1C(=O)[O-] ZINC000000819033 570484662 /nfs/dbraw/zinc/48/46/62/570484662.db2.gz QBUDEWVBCXLTHP-VXGBXAGGSA-N -1 0 388.283 3.885 50 0 GHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000006551213 570475805 /nfs/dbraw/zinc/47/58/05/570475805.db2.gz UWPODCXQCSOINK-UHFFFAOYSA-N -1 0 384.432 3.557 50 0 GHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1sccc1-c1ccccc1 ZINC000030032075 570485518 /nfs/dbraw/zinc/48/55/18/570485518.db2.gz UYFSJHSFZIEFHD-UHFFFAOYSA-N -1 0 381.482 3.985 50 0 GHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(CC)s3)cc21 ZINC000022666553 570492804 /nfs/dbraw/zinc/49/28/04/570492804.db2.gz WJOHISJZNQWWOC-UHFFFAOYSA-N -1 0 378.519 3.801 50 0 GHAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC000007813734 570516796 /nfs/dbraw/zinc/51/67/96/570516796.db2.gz YTUNZQYALPSQRB-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O)N1CCCC1 ZINC000002969741 570523604 /nfs/dbraw/zinc/52/36/04/570523604.db2.gz HIAGYQUNZCRIKF-UHFFFAOYSA-N -1 0 399.903 3.623 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000001129161 570534706 /nfs/dbraw/zinc/53/47/06/570534706.db2.gz PUVGGQNRUIHCRW-MOPGFXCFSA-N -1 0 396.443 3.777 50 0 GHAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000009095397 570548972 /nfs/dbraw/zinc/54/89/72/570548972.db2.gz QKPHJHWDISUTCK-UHFFFAOYSA-N -1 0 394.496 3.867 50 0 GHAARM Cc1oc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000032971364 570556871 /nfs/dbraw/zinc/55/68/71/570556871.db2.gz ZXIDEKRJPAKTHZ-UHFFFAOYSA-N -1 0 388.323 3.942 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1Cl ZINC000064979584 570623983 /nfs/dbraw/zinc/62/39/83/570623983.db2.gz PIMXIKYDVWZHLC-UHFFFAOYSA-N -1 0 394.836 3.813 50 0 GHAARM O=C([O-])CCCCCNC(=O)CCn1ccc2cc(Br)ccc21 ZINC000036359432 570640955 /nfs/dbraw/zinc/64/09/55/570640955.db2.gz YEHUECLMPQRNCC-UHFFFAOYSA-N -1 0 381.270 3.555 50 0 GHAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-n2nc(C)cc2Cl)cc1 ZINC000012446104 570666755 /nfs/dbraw/zinc/66/67/55/570666755.db2.gz AAZLOMGRUFFGPC-UHFFFAOYSA-N -1 0 395.843 3.783 50 0 GHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)COCc1ccccc1Cl ZINC000238142553 570679229 /nfs/dbraw/zinc/67/92/29/570679229.db2.gz VVEBLRLUQXIHIZ-UHFFFAOYSA-N -1 0 397.805 3.638 50 0 GHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)o1 ZINC000065098674 570695902 /nfs/dbraw/zinc/69/59/02/570695902.db2.gz YBDHGHGDETXTSC-UHFFFAOYSA-N -1 0 387.845 3.954 50 0 GHAARM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001029073 570711673 /nfs/dbraw/zinc/71/16/73/570711673.db2.gz YDESLWAAXKEVSW-UHFFFAOYSA-N -1 0 380.274 3.951 50 0 GHAARM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2Br)cc1OC ZINC000007050732 570770290 /nfs/dbraw/zinc/77/02/90/570770290.db2.gz NAEDQZKLGIXYPU-UHFFFAOYSA-N -1 0 386.267 3.576 50 0 GHAARM CCCCOc1ccc(C2=N/C(=C/c3ccccc3OCC(=O)[O-])C(=O)O2)cc1 ZINC000096635144 570775674 /nfs/dbraw/zinc/77/56/74/570775674.db2.gz HFRBKKCKBSQYRL-QGOAFFKASA-N -1 0 395.411 3.673 50 0 GHAARM O=C([O-])CSCc1cccc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000170045544 570790717 /nfs/dbraw/zinc/79/07/17/570790717.db2.gz MZQJZDJRQVJOFS-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000032778606 570811642 /nfs/dbraw/zinc/81/16/42/570811642.db2.gz DMOVGFRWUSHFBR-UHFFFAOYSA-N -1 0 380.473 3.900 50 0 GHAARM CC(C)Oc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(C)c3=O)n2)cc1 ZINC000101724874 570829933 /nfs/dbraw/zinc/82/99/33/570829933.db2.gz MKUZWWNVPWKPFF-UHFFFAOYSA-N -1 0 395.390 3.887 50 0 GHAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000101722898 570830298 /nfs/dbraw/zinc/83/02/98/570830298.db2.gz HQFSZQTZDSZBMO-UHFFFAOYSA-N -1 0 399.450 3.965 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](C)C1 ZINC000012526447 570831279 /nfs/dbraw/zinc/83/12/79/570831279.db2.gz OSZFJDHYDRESBZ-AWEZNQCLSA-N -1 0 390.480 3.807 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccccc2)C1 ZINC000101836854 570837203 /nfs/dbraw/zinc/83/72/03/570837203.db2.gz FOCYBYJSAINJQN-KRWDZBQOSA-N -1 0 394.818 3.772 50 0 GHAARM Cc1cc(C)c(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)c(C)c1 ZINC000102137459 570841871 /nfs/dbraw/zinc/84/18/71/570841871.db2.gz IKGJKNYRVHOSCX-UHFFFAOYSA-N -1 0 387.505 3.720 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000014205405 570880534 /nfs/dbraw/zinc/88/05/34/570880534.db2.gz HQZXXDLUCJTSIJ-UHFFFAOYSA-N -1 0 376.331 3.604 50 0 GHAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(OC(=O)c3cccc4ccccc43)cc2)N1 ZINC000004556445 570883038 /nfs/dbraw/zinc/88/30/38/570883038.db2.gz KRLDULOSHQRRFI-RBUKOAKNSA-N -1 0 379.437 3.847 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000023125717 570909939 /nfs/dbraw/zinc/90/99/39/570909939.db2.gz AVCPPPGGYBEPEZ-HZPDHXFCSA-N -1 0 388.349 3.766 50 0 GHAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000004743381 570957374 /nfs/dbraw/zinc/95/73/74/570957374.db2.gz UQUVIGKQZFZMDJ-SFHVURJKSA-N -1 0 385.460 3.947 50 0 GHAARM C/C(=C\C(=O)N(CCC(=O)[O-])C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000584907989 600963546 /nfs/dbraw/zinc/96/35/46/600963546.db2.gz IDUDIHZEXKUICK-ACCUITESSA-N -1 0 385.382 3.591 50 0 GHAARM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000079001491 841699845 /nfs/dbraw/zinc/69/98/45/841699845.db2.gz CLPHRCAJDMXZNP-UHFFFAOYSA-N -1 0 386.429 3.709 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000299747722 861290062 /nfs/dbraw/zinc/29/00/62/861290062.db2.gz DVBWGXHAKKHCMD-UAGQMJEPSA-N -1 0 386.423 3.658 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 ZINC000003208991 862252798 /nfs/dbraw/zinc/25/27/98/862252798.db2.gz LRJZCJHGYKWBIK-UHFFFAOYSA-N -1 0 388.489 3.512 50 0 GHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(N(C)C)c3)s2)on1 ZINC000009228246 856982725 /nfs/dbraw/zinc/98/27/25/856982725.db2.gz BAOUDWBWPNAAHL-UHFFFAOYSA-N -1 0 377.491 3.887 50 0 GHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl ZINC000004317347 862957522 /nfs/dbraw/zinc/95/75/22/862957522.db2.gz QUVMXUVDDFZLCC-UHFFFAOYSA-N -1 0 386.864 3.552 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1C(F)(F)F ZINC000185145383 865487510 /nfs/dbraw/zinc/48/75/10/865487510.db2.gz GQXSDVWKRRJMOC-CYBMUJFWSA-N -1 0 389.351 3.522 50 0 GHAARM Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263059367 883518746 /nfs/dbraw/zinc/51/87/46/883518746.db2.gz OFOOEWDLCNBIHJ-NSHDSACASA-N -1 0 377.238 3.849 50 0 GHAARM Cn1ncc(C2CC2)c1C(=O)N=c1[n-]nc(-c2c(Cl)cccc2Cl)s1 ZINC000585124103 897645912 /nfs/dbraw/zinc/64/59/12/897645912.db2.gz GHNCHWNACNBJRX-UHFFFAOYSA-N -1 0 394.287 3.797 50 0 GHAARM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@@H]1C(=O)[O-] ZINC000630569134 903449307 /nfs/dbraw/zinc/44/93/07/903449307.db2.gz VUROMXUTMKBGSW-YPMHNXCESA-N -1 0 391.374 3.727 50 0 GHAARM Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C(=O)[O-])C2=O)n1 ZINC000103457808 904435438 /nfs/dbraw/zinc/43/54/38/904435438.db2.gz OOGSRMRHYZTVPH-QGOAFFKASA-N -1 0 399.406 3.728 50 0 GHAARM CCn1c(=O)c(/C=C/c2ccccc2OC(F)F)nc2cc(C(=O)[O-])ccc21 ZINC000007666724 919712628 /nfs/dbraw/zinc/71/26/28/919712628.db2.gz YEILZEQFPISWBA-VQHVLOKHSA-N -1 0 386.354 3.886 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017079675 210203268 /nfs/dbraw/zinc/20/32/68/210203268.db2.gz CITKQRQYGPMERI-CABCVRRESA-N -1 0 390.505 3.643 50 0 GHAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000017080211 210202286 /nfs/dbraw/zinc/20/22/86/210202286.db2.gz KNDZJLNPWAPNIN-CYBMUJFWSA-N -1 0 392.521 3.692 50 0 GHAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(F)cc1 ZINC000015923240 210179439 /nfs/dbraw/zinc/17/94/39/210179439.db2.gz AVBUBXLCRJIBOT-UHFFFAOYSA-N -1 0 398.872 3.690 50 0 GHAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2s1 ZINC000015870055 210177562 /nfs/dbraw/zinc/17/75/62/210177562.db2.gz KOROLEBVCRKLFU-UHFFFAOYSA-N -1 0 397.428 3.724 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2 ZINC000015730520 210166480 /nfs/dbraw/zinc/16/64/80/210166480.db2.gz BTYFGBUYQGXDHA-GFCCVEGCSA-N -1 0 392.502 3.627 50 0 GHAARM CCOc1ccc(OCCCC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000013428939 210061676 /nfs/dbraw/zinc/06/16/76/210061676.db2.gz DAVKORBNORCHBQ-UHFFFAOYSA-N -1 0 385.460 3.748 50 0 GHAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2sc3ccccc3c2Cl)C1=O ZINC000013100247 210051064 /nfs/dbraw/zinc/05/10/64/210051064.db2.gz NYNUNUMBWSZEIB-IBGZPJMESA-N -1 0 399.859 3.667 50 0 GHAARM CCOC(=O)c1c(C)nc2sc3c([n-]cnc3=O)c2c1-c1ccc(OC)cc1 ZINC000013108885 210050944 /nfs/dbraw/zinc/05/09/44/210050944.db2.gz NXOIEHYBDRFTHX-UHFFFAOYSA-N -1 0 395.440 3.694 50 0 GHAARM COC(=O)c1c(C)n(C2CC2)c(C)c1C(=O)CSc1ccccc1C(=O)[O-] ZINC000012937397 210034264 /nfs/dbraw/zinc/03/42/64/210034264.db2.gz YZWWBDMXIHCOSQ-UHFFFAOYSA-N -1 0 387.457 3.900 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1cccc(F)c1 ZINC000012779220 210007831 /nfs/dbraw/zinc/00/78/31/210007831.db2.gz FNWPKLINQNWEBJ-UHFFFAOYSA-N -1 0 386.452 3.611 50 0 GHAARM Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000004698782 209514272 /nfs/dbraw/zinc/51/42/72/209514272.db2.gz AFKMTUVJIVATBV-LICLKQGHSA-N -1 0 383.425 3.695 50 0 GHAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000001141984 209305904 /nfs/dbraw/zinc/30/59/04/209305904.db2.gz BWBFUCPMXHJMIZ-MOPGFXCFSA-N -1 0 392.455 3.782 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000939375 209281014 /nfs/dbraw/zinc/28/10/14/209281014.db2.gz YKAJNLOEROKVMW-UHFFFAOYSA-N -1 0 399.497 3.999 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3OC)C2)cc1 ZINC000000907729 209277064 /nfs/dbraw/zinc/27/70/64/209277064.db2.gz PZAMPEWNCSRTQL-LJQANCHMSA-N -1 0 396.443 3.636 50 0 GHAARM CN1c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009169826 209250918 /nfs/dbraw/zinc/25/09/18/209250918.db2.gz UQNKITIETCHDOQ-UHFFFAOYSA-N -1 0 394.880 3.522 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627659 209251769 /nfs/dbraw/zinc/25/17/69/209251769.db2.gz CBZQLWBOIFBSOQ-SJORKVTESA-N -1 0 394.427 3.553 50 0 GHAARM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2NC1=O ZINC000009168869 209250410 /nfs/dbraw/zinc/25/04/10/209250410.db2.gz SKQHYOFPOLHGJE-UHFFFAOYSA-N -1 0 386.882 3.559 50 0 GHAARM CN1c2ccsc2C([O-])=C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O ZINC000100911006 211391930 /nfs/dbraw/zinc/39/19/30/211391930.db2.gz OIXDGQDMKITYHV-UHFFFAOYSA-N -1 0 386.907 3.847 50 0 GHAARM CC(C)COc1ccc(Cc2c([O-])[nH]c(=S)n(-c3ccccc3)c2=O)cc1 ZINC000100645034 211389064 /nfs/dbraw/zinc/38/90/64/211389064.db2.gz RAISJJRJPWZUEU-UHFFFAOYSA-N -1 0 382.485 3.852 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000096323210 211334229 /nfs/dbraw/zinc/33/42/29/211334229.db2.gz QYVVWKNMRAGLMS-UHFFFAOYSA-N -1 0 388.323 3.763 50 0 GHAARM Cc1nc(COc2cccc(C(=O)Nc3cccc(OCC(=O)[O-])c3)c2)cs1 ZINC000095425129 211239126 /nfs/dbraw/zinc/23/91/26/211239126.db2.gz VQKOLQHIMYWXMW-UHFFFAOYSA-N -1 0 398.440 3.746 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)c1 ZINC000095355938 211221031 /nfs/dbraw/zinc/22/10/31/211221031.db2.gz QWVGCCLSIKQYDS-IBGZPJMESA-N -1 0 375.428 3.795 50 0 GHAARM Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000071749134 211053121 /nfs/dbraw/zinc/05/31/21/211053121.db2.gz NXOKEOSIXLUSSX-IBGZPJMESA-N -1 0 389.499 3.959 50 0 GHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1 ZINC000066087884 211000663 /nfs/dbraw/zinc/00/06/63/211000663.db2.gz XRIBKVUXEIRBMB-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM O=C([O-])C1CCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)CC1 ZINC000040268963 210783237 /nfs/dbraw/zinc/78/32/37/210783237.db2.gz BJLGISCMYRDYHR-UHFFFAOYSA-N -1 0 392.455 3.544 50 0 GHAARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(OC)c2c1OCO2 ZINC000035324997 210678362 /nfs/dbraw/zinc/67/83/62/210678362.db2.gz SSBSRCKVAPPNHE-BQYQJAHWSA-N -1 0 379.368 3.849 50 0 GHAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C1 ZINC000032090281 210570810 /nfs/dbraw/zinc/57/08/10/210570810.db2.gz LHAJQOHKKMMEAY-JTQLQIEISA-N -1 0 399.299 3.983 50 0 GHAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc21 ZINC000022666442 210421238 /nfs/dbraw/zinc/42/12/38/210421238.db2.gz BRXXPQAPENEHLR-UHFFFAOYSA-N -1 0 378.519 3.801 50 0 GHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1C)CC2 ZINC000021044410 210377204 /nfs/dbraw/zinc/37/72/04/210377204.db2.gz XFGACVIYTJBGPR-GOSISDBHSA-N -1 0 398.459 3.927 50 0 GHAARM CCOc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000020532745 210346365 /nfs/dbraw/zinc/34/63/65/210346365.db2.gz MZCRHAJJGZQHST-UHFFFAOYSA-N -1 0 397.456 3.533 50 0 GHAARM Cc1cccc(-n2c3nc(-c4ccccc4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020615700 210354043 /nfs/dbraw/zinc/35/40/43/210354043.db2.gz SKHZIVQUEBNIHM-UHFFFAOYSA-N -1 0 389.436 3.743 50 0 GHAARM COc1cc(/C=C2\SC(=O)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)[O-] ZINC000035147080 221812679 /nfs/dbraw/zinc/81/26/79/221812679.db2.gz ZGESBQOIFVNLON-YVLHZVERSA-N -1 0 399.424 3.708 50 0 GHAARM CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589948 534519881 /nfs/dbraw/zinc/51/98/81/534519881.db2.gz YWWQCCCQOLXDHB-UHFFFAOYSA-N -1 0 381.476 3.696 50 0 GHAARM CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589968 534520465 /nfs/dbraw/zinc/52/04/65/534520465.db2.gz FLNSRAXJOHHQAO-UHFFFAOYSA-N -1 0 399.466 3.835 50 0 GHAARM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000239310443 526294011 /nfs/dbraw/zinc/29/40/11/526294011.db2.gz ILAXCMFXNDTTON-ADAARDCZSA-N -1 0 380.440 3.607 50 0 GHAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000047992045 570216884 /nfs/dbraw/zinc/21/68/84/570216884.db2.gz RHJNIEMDFZPBSA-UHFFFAOYSA-N -1 0 383.260 3.590 50 0 GHAARM Cc1ccc(-c2n[n-]c(NCCc3c[nH]c4ccc(Cl)cc34)nc2=O)cc1 ZINC000004818441 570238299 /nfs/dbraw/zinc/23/82/99/570238299.db2.gz FHHGFJYSEAGZQF-UHFFFAOYSA-N -1 0 379.851 3.930 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1C ZINC000006176858 570281844 /nfs/dbraw/zinc/28/18/44/570281844.db2.gz CKKJTRORQRUHGF-UHFFFAOYSA-N -1 0 388.489 3.933 50 0 GHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000328597031 570287793 /nfs/dbraw/zinc/28/77/93/570287793.db2.gz CQECXRMNLTYWLK-HXUWFJFHSA-N -1 0 395.455 3.857 50 0 GHAARM CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000003991766 570353714 /nfs/dbraw/zinc/35/37/14/570353714.db2.gz WOWOUHYSSLRNCJ-OAHLLOKOSA-N -1 0 390.509 3.741 50 0 GHAARM O=C([O-])[C@H](Cc1ccco1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004240056 570363857 /nfs/dbraw/zinc/36/38/57/570363857.db2.gz AJXDCHXGNUFBRC-FQEVSTJZSA-N -1 0 377.396 3.814 50 0 GHAARM C[C@@H]1C[C@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000004297034 570366132 /nfs/dbraw/zinc/36/61/32/570366132.db2.gz XCDSCWAYQOCMPY-GASCZTMLSA-N -1 0 388.489 3.668 50 0 GHAARM O=C([O-])c1ccc(COc2ccc(C=C3SC(=O)NC3=O)cc2Cl)cc1 ZINC000004695521 570393842 /nfs/dbraw/zinc/39/38/42/570393842.db2.gz PPGWVCJAWPEZQZ-OVCLIPMQSA-N -1 0 389.816 3.941 50 0 GHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000237944286 570415078 /nfs/dbraw/zinc/41/50/78/570415078.db2.gz IJLNRJXVRJIKIE-AWEZNQCLSA-N -1 0 376.453 3.733 50 0 GHAARM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000005099573 570416562 /nfs/dbraw/zinc/41/65/62/570416562.db2.gz XZUJEKQUZQSGES-UHFFFAOYSA-N -1 0 396.921 3.892 50 0 GHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000237983365 570417892 /nfs/dbraw/zinc/41/78/92/570417892.db2.gz XQSGZKGAGKUAJT-CQSZACIVSA-N -1 0 392.402 3.798 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000238064878 570423015 /nfs/dbraw/zinc/42/30/15/570423015.db2.gz VFVLPWUOCKBMEW-IAGOWNOFSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Cl)cc1Cl ZINC000005103420 570429871 /nfs/dbraw/zinc/42/98/71/570429871.db2.gz OSNQYVHJZSVPAH-WLRTZDKTSA-N -1 0 380.183 3.578 50 0 GHAARM Cc1nnc(SCc2cc(Br)cc(Br)c2)[n-]c1=O ZINC000005177918 570430720 /nfs/dbraw/zinc/43/07/20/570430720.db2.gz IZLWMTCWYVRHQR-UHFFFAOYSA-N -1 0 391.088 3.703 50 0 GHAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000006471374 570443311 /nfs/dbraw/zinc/44/33/11/570443311.db2.gz ABSOINQMEOTVEG-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000005924585 570462196 /nfs/dbraw/zinc/46/21/96/570462196.db2.gz NWPPAPKIDLLTSI-UHFFFAOYSA-N -1 0 395.893 3.592 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000028813487 570464887 /nfs/dbraw/zinc/46/48/87/570464887.db2.gz HSBQTVBXJFLOEH-UHFFFAOYSA-N -1 0 389.404 3.837 50 0 GHAARM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4ccccn4)c3)n2)cc1 ZINC000064610942 570497497 /nfs/dbraw/zinc/49/74/97/570497497.db2.gz NSBWTGPFSXMYTA-UHFFFAOYSA-N -1 0 392.440 3.908 50 0 GHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)o1 ZINC000064919909 570591123 /nfs/dbraw/zinc/59/11/23/570591123.db2.gz MGSIMAVHVKHYII-UHFFFAOYSA-N -1 0 389.380 3.926 50 0 GHAARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4n3C)C2=O)c1 ZINC000001514856 570617314 /nfs/dbraw/zinc/61/73/14/570617314.db2.gz UQWZZMSTNXKTOM-ATVHPVEESA-N -1 0 375.384 3.694 50 0 GHAARM CCOC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325236 570673479 /nfs/dbraw/zinc/67/34/79/570673479.db2.gz ABIWKHIOTVHBFV-QGZVFWFLSA-N -1 0 391.423 3.747 50 0 biogenic GHAARM O=C([O-])C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCSC1 ZINC000685939852 570674571 /nfs/dbraw/zinc/67/45/71/570674571.db2.gz DPIWWAUKJWDNKS-NRFANRHFSA-N -1 0 383.469 3.876 50 0 GHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@H]1CCOC1 ZINC000685944991 570675275 /nfs/dbraw/zinc/67/52/75/570675275.db2.gz NFNSQJCGCBLTDW-CVEARBPZSA-N -1 0 395.455 3.653 50 0 GHAARM COc1c(C)cc([C@H](C(=O)[O-])N(Cc2cccnc2)Cc2cccnc2)cc1C ZINC000055368569 570692621 /nfs/dbraw/zinc/69/26/21/570692621.db2.gz HVLAGGNOSYYTJS-OAQYLSRUSA-N -1 0 391.471 3.930 50 0 GHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002488627 570720311 /nfs/dbraw/zinc/72/03/11/570720311.db2.gz AEKMURZKNYJGAS-MRXNPFEDSA-N -1 0 384.819 3.729 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)n2C)o1 ZINC000065186517 570724737 /nfs/dbraw/zinc/72/47/37/570724737.db2.gz FCQMLXOIECGDOY-UHFFFAOYSA-N -1 0 392.456 3.503 50 0 GHAARM CCOc1ccccc1NC(=O)c1nc[n-]c1C(=O)Nc1ccccc1OCC ZINC000004003697 570725922 /nfs/dbraw/zinc/72/59/22/570725922.db2.gz SZCYGZRZCQFSST-UHFFFAOYSA-N -1 0 394.431 3.712 50 0 GHAARM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000263243704 570727836 /nfs/dbraw/zinc/72/78/36/570727836.db2.gz OCYNRQDVSVZNNV-SZEHBUNVSA-N -1 0 399.196 3.959 50 0 GHAARM CCOC(=O)c1c(C)n(C)c2cc(C([O-])(C(F)(F)F)C(F)(F)F)c(O)cc21 ZINC000000980078 570742886 /nfs/dbraw/zinc/74/28/86/570742886.db2.gz FUKIJARIDDYBFO-UHFFFAOYSA-N -1 0 399.287 3.681 50 0 GHAARM CCc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065250029 570748796 /nfs/dbraw/zinc/74/87/96/570748796.db2.gz ZAJHRPRQKYAGPE-UHFFFAOYSA-N -1 0 388.427 3.543 50 0 GHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2OC)cc1 ZINC000007051211 570770723 /nfs/dbraw/zinc/77/07/23/570770723.db2.gz MBWLVOGXKDDXBZ-ZDUSSCGKSA-N -1 0 376.478 3.968 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000007055707 570774954 /nfs/dbraw/zinc/77/49/54/570774954.db2.gz ZXYDZKKPDDNNMD-UHFFFAOYSA-N -1 0 391.445 3.546 50 0 GHAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(Cl)cc2)c1 ZINC000004662513 570812025 /nfs/dbraw/zinc/81/20/25/570812025.db2.gz AEHIGVQOTQRMBK-UHFFFAOYSA-N -1 0 399.255 3.584 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c(C)c1 ZINC000101418585 570822719 /nfs/dbraw/zinc/82/27/19/570822719.db2.gz XAISBPHNOYQJQM-MSOLQXFVSA-N -1 0 382.851 3.759 50 0 GHAARM Cc1nc2c(cc(OCC(=O)[N-]O[C@@H]3CCCCO3)c3ccsc32)s1 ZINC000065500035 570826625 /nfs/dbraw/zinc/82/66/25/570826625.db2.gz KJRQITIRDRNEGN-OAHLLOKOSA-N -1 0 378.475 3.773 50 0 GHAARM CCCn1c(=O)c(-c2nc(-c3ccc(OC)c(F)c3)no2)c([O-])c2ccccc21 ZINC000101725299 570831257 /nfs/dbraw/zinc/83/12/57/570831257.db2.gz TXRIHMWMCRDXSE-UHFFFAOYSA-N -1 0 395.390 3.982 50 0 GHAARM Cc1nc2[n-]c(CNc3ccccc3)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000101803064 570835369 /nfs/dbraw/zinc/83/53/69/570835369.db2.gz NWIUBWDKWYQSQV-UHFFFAOYSA-N -1 0 379.851 3.582 50 0 GHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 ZINC000033170939 570835744 /nfs/dbraw/zinc/83/57/44/570835744.db2.gz NXZHEDIRXJJURH-UHFFFAOYSA-N -1 0 394.499 3.767 50 0 GHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)c1 ZINC000101835564 570836749 /nfs/dbraw/zinc/83/67/49/570836749.db2.gz RUPZVPCXCALFQS-IBGZPJMESA-N -1 0 388.427 3.736 50 0 GHAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000102404055 570848253 /nfs/dbraw/zinc/84/82/53/570848253.db2.gz DQMIBJDNMXJXIA-HNNXBMFYSA-N -1 0 375.432 3.988 50 0 GHAARM Cc1ccc(CNC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000102621899 570854494 /nfs/dbraw/zinc/85/44/94/570854494.db2.gz AFSCOLKMDXDWPY-UHFFFAOYSA-N -1 0 384.435 3.935 50 0 GHAARM O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000007505241 570860203 /nfs/dbraw/zinc/86/02/03/570860203.db2.gz WMACJWAWELVJPW-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000102901167 570870839 /nfs/dbraw/zinc/87/08/39/570870839.db2.gz FNOKUEAXIKJGTL-QGZVFWFLSA-N -1 0 394.818 3.772 50 0 GHAARM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nn1 ZINC000044213782 570871177 /nfs/dbraw/zinc/87/11/77/570871177.db2.gz VTZXBFJUMGFVNH-UHFFFAOYSA-N -1 0 377.372 3.656 50 0 GHAARM O=C(Nc1ccc(OCc2ccccc2F)cc1)c1n[n-]c2ccccc2c1=O ZINC000170625176 570882101 /nfs/dbraw/zinc/88/21/01/570882101.db2.gz HSRDUVQWTATRCW-UHFFFAOYSA-N -1 0 389.386 3.894 50 0 GHAARM O=C(Nc1ccc(OCc2ccccc2)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000103445602 570884898 /nfs/dbraw/zinc/88/48/98/570884898.db2.gz JRFSJCQKQFCANB-FQEVSTJZSA-N -1 0 386.407 3.509 50 0 GHAARM O=C([O-])CN(Cc1ccccn1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380902856 570903488 /nfs/dbraw/zinc/90/34/88/570903488.db2.gz UUENHVNJMHJPGE-UHFFFAOYSA-N -1 0 388.423 3.917 50 0 GHAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144229 570928704 /nfs/dbraw/zinc/92/87/04/570928704.db2.gz IQSWARWUUVMLHU-JRPNMDOOSA-N -1 0 392.912 3.657 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000033277237 570952221 /nfs/dbraw/zinc/95/22/21/570952221.db2.gz MIRDTVBUIOAUMZ-UHFFFAOYSA-N -1 0 393.472 3.716 50 0 GHAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000252492307 570974756 /nfs/dbraw/zinc/97/47/56/570974756.db2.gz MIELQXGTRYBGOJ-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)cc1 ZINC000045961711 571006622 /nfs/dbraw/zinc/00/66/22/571006622.db2.gz YFUWPHQXJQRFAD-UHFFFAOYSA-N -1 0 394.518 3.574 50 0 GHAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055650912 861280000 /nfs/dbraw/zinc/28/00/00/861280000.db2.gz LEFRKKDEPHCJPT-UHFFFAOYSA-N -1 0 388.489 3.512 50 0 GHAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2cccc(Cl)c2)C1 ZINC000079106094 848845513 /nfs/dbraw/zinc/84/55/13/848845513.db2.gz DRBTXDAJIHORAH-QGZVFWFLSA-N -1 0 386.835 3.891 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000262851299 862425127 /nfs/dbraw/zinc/42/51/27/862425127.db2.gz HUHADPISYGKKTA-HUUCEWRRSA-N -1 0 379.334 3.526 50 0 GHAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O)N1CCCCC1 ZINC000003630073 862528130 /nfs/dbraw/zinc/52/81/30/862528130.db2.gz SNUAXCBPCNXQOL-UHFFFAOYSA-N -1 0 393.512 3.554 50 0 GHAARM Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000008132993 856001126 /nfs/dbraw/zinc/00/11/26/856001126.db2.gz WHWUFVBPQKRUQD-OAHLLOKOSA-N -1 0 388.272 3.796 50 0 GHAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000032070528 862797848 /nfs/dbraw/zinc/79/78/48/862797848.db2.gz ZNAJWHMYZTZKMG-IBGZPJMESA-N -1 0 392.484 3.726 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000032097678 862811021 /nfs/dbraw/zinc/81/10/21/862811021.db2.gz UGSQEVVJGGYVPZ-UHFFFAOYSA-N -1 0 380.447 3.600 50 0 GHAARM O=C(CS(=O)(=O)c1nc2ccccc2[n-]1)N(c1ccccc1)C1CCCCC1 ZINC000040152111 856684187 /nfs/dbraw/zinc/68/41/87/856684187.db2.gz SZCCFRUXOWRPKD-UHFFFAOYSA-N -1 0 397.500 3.703 50 0 GHAARM O=C([O-])c1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1 ZINC000040283921 856722856 /nfs/dbraw/zinc/72/28/56/856722856.db2.gz LLIJYUORBGTBAF-UHFFFAOYSA-N -1 0 383.407 3.925 50 0 GHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)s2)on1 ZINC000009688982 857306878 /nfs/dbraw/zinc/30/68/78/857306878.db2.gz CEHCNWSTBWKZQN-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000606442412 859836455 /nfs/dbraw/zinc/83/64/55/859836455.db2.gz QDNLSGSMHCNRMU-FPLPWBNLSA-N -1 0 396.262 3.868 50 0 GHAARM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000621588388 885304266 /nfs/dbraw/zinc/30/42/66/885304266.db2.gz WYOAXGQOUDBYRP-JKSUJKDBSA-N -1 0 385.370 3.931 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CC[C@@]3(c4ccccc4)[C@@H](C2)C3(F)F)c(F)c1 ZINC000952886827 904645818 /nfs/dbraw/zinc/64/58/18/904645818.db2.gz OMPKJPUFBOJLRF-VQIMIIECSA-N -1 0 375.346 3.573 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 ZINC000189237983 905046868 /nfs/dbraw/zinc/04/68/68/905046868.db2.gz FCJZFYJICFGFAW-MRXNPFEDSA-N -1 0 389.377 3.550 50 0 GHAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NC[C@H]1CCCO1 ZINC000001161396 918476305 /nfs/dbraw/zinc/47/63/05/918476305.db2.gz KEYACANAMKEDNQ-RXMQYKEDSA-N -1 0 387.046 3.907 50 0 GHAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000078747840 926990172 /nfs/dbraw/zinc/99/01/72/926990172.db2.gz FIHBPKMMKSZAGT-UHFFFAOYSA-N -1 0 377.315 3.652 50 0 GHAARM O=C([O-])c1ccccc1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000254486736 1021180233 /nfs/dbraw/zinc/18/02/33/1021180233.db2.gz MSEOIJPJKDACDP-UHFFFAOYSA-N -1 0 385.379 3.957 50 0 GHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(N)=O)C1 ZINC000017080682 210204797 /nfs/dbraw/zinc/20/47/97/210204797.db2.gz CEBHSFYVSPKFPS-RYUDHWBXSA-N -1 0 394.537 3.828 50 0 GHAARM CC[C@H](C)C1C(=O)N=C(SCC(=O)Nc2cccc3ccccc32)N=C1[O-] ZINC000017086370 210204872 /nfs/dbraw/zinc/20/48/72/210204872.db2.gz WUXFZVGQPXQEBS-LBPRGKRZSA-N -1 0 383.473 3.873 50 0 GHAARM Cc1sc(NC(=O)C[C@H](C)CC(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017079349 210203159 /nfs/dbraw/zinc/20/31/59/210203159.db2.gz OJQPMEZUEVKKRS-JTQLQIEISA-N -1 0 388.489 3.879 50 0 GHAARM Cc1sc(NC(=O)C[C@@H](C)CC(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017079348 210202669 /nfs/dbraw/zinc/20/26/69/210202669.db2.gz OJQPMEZUEVKKRS-SNVBAGLBSA-N -1 0 388.489 3.879 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)no1 ZINC000017078681 210202460 /nfs/dbraw/zinc/20/24/60/210202460.db2.gz OZWOOOROWCBYDS-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017077602 210200826 /nfs/dbraw/zinc/20/08/26/210200826.db2.gz MPUGRGRMKSPJKT-FBDPFYNOSA-N -1 0 379.478 3.563 50 0 GHAARM Cc1cc(NC(=O)C2CC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862126 210174911 /nfs/dbraw/zinc/17/49/11/210174911.db2.gz SJPNBBGUUJRXJB-UHFFFAOYSA-N -1 0 387.486 3.754 50 0 GHAARM Cc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1C ZINC000015826845 210172418 /nfs/dbraw/zinc/17/24/18/210172418.db2.gz ZDLDWHPYNIEURI-ZDUSSCGKSA-N -1 0 385.489 3.680 50 0 GHAARM CN(Cc1n[nH]c(=O)[n-]1)C(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000426538347 530022729 /nfs/dbraw/zinc/02/27/29/530022729.db2.gz HYGKHNXAHOLYBJ-UHFFFAOYSA-N -1 0 393.834 3.651 50 0 GHAARM Cc1nc2nc(SCc3ccccc3Cl)nn2c(C)c1CCC(=O)[O-] ZINC000013209627 210054526 /nfs/dbraw/zinc/05/45/26/210054526.db2.gz BGENCAMVJIICRE-UHFFFAOYSA-N -1 0 376.869 3.704 50 0 GHAARM O=C([O-])/C=C/c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000012993158 210041400 /nfs/dbraw/zinc/04/14/00/210041400.db2.gz SKRAXJSDBBRRMM-JXMROGBWSA-N -1 0 381.819 3.935 50 0 GHAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004618988 209502834 /nfs/dbraw/zinc/50/28/34/209502834.db2.gz NVAZQEYBHWXTQU-KRWDZBQOSA-N -1 0 397.880 3.622 50 0 GHAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000003290401 209421929 /nfs/dbraw/zinc/42/19/29/209421929.db2.gz CPMOTDIYUBEEAI-UHFFFAOYSA-N -1 0 393.892 3.682 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000002781790 209385473 /nfs/dbraw/zinc/38/54/73/209385473.db2.gz WWIHPOKJZHORDL-UHFFFAOYSA-N -1 0 397.287 3.742 50 0 GHAARM O=C([O-])[C@@H](Cc1cscn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567696 209369785 /nfs/dbraw/zinc/36/97/85/209369785.db2.gz LSBAZFASKHLHKB-LJQANCHMSA-N -1 0 394.452 3.678 50 0 GHAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002763499 209382396 /nfs/dbraw/zinc/38/23/96/209382396.db2.gz USIUGWOPSFXAQY-IRXDYDNUSA-N -1 0 387.867 3.807 50 0 GHAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000002636392 209374571 /nfs/dbraw/zinc/37/45/71/209374571.db2.gz XGGVLWHXNJQLBM-UHFFFAOYSA-N -1 0 396.877 3.725 50 0 GHAARM Cc1nc2sc3c(c2c2nc(-c4ccccc4C(=O)[O-])nn21)CC(C)(C)OC3 ZINC000002350221 209359265 /nfs/dbraw/zinc/35/92/65/209359265.db2.gz QVIYRYUYIYMADR-UHFFFAOYSA-N -1 0 394.456 3.864 50 0 GHAARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000001192828 209311344 /nfs/dbraw/zinc/31/13/44/209311344.db2.gz FKRCTPRLMZKRPV-OQLLNIDSSA-N -1 0 396.399 3.528 50 0 GHAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000001041560 209292738 /nfs/dbraw/zinc/29/27/38/209292738.db2.gz XSBGREUPZKIBNU-VQTJNVASSA-N -1 0 376.387 3.786 50 0 GHAARM COc1ccc(N2C(=O)c3ccc(Oc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000000850611 209272413 /nfs/dbraw/zinc/27/24/13/209272413.db2.gz ZPRMVJYZGBQBJD-UHFFFAOYSA-N -1 0 389.363 3.986 50 0 GHAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1 ZINC000000807762 209267760 /nfs/dbraw/zinc/26/77/60/209267760.db2.gz XAVZZPVOFMSZEX-YJBOKZPZSA-N -1 0 377.437 3.592 50 0 GHAARM O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 ZINC000000716775 209262232 /nfs/dbraw/zinc/26/22/32/209262232.db2.gz NJNSRPNWTZVFIM-UHFFFAOYSA-N -1 0 375.336 3.683 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1 ZINC000000693042 209260797 /nfs/dbraw/zinc/26/07/97/209260797.db2.gz LXEUBHSFTPRADX-UHFFFAOYSA-N -1 0 380.425 3.880 50 0 GHAARM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1ccn(CCc2ccncc2)n1 ZINC000096054751 209240243 /nfs/dbraw/zinc/24/02/43/209240243.db2.gz NZFMSQMKUHGXJB-ZROIWOOFSA-N -1 0 388.880 3.587 50 0 GHAARM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000002122978 209229993 /nfs/dbraw/zinc/22/99/93/209229993.db2.gz IMXPBIVHPVHSIJ-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 biogenic GHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253414672 209218958 /nfs/dbraw/zinc/21/89/58/209218958.db2.gz YEEVNXYGYNSQIS-MRXNPFEDSA-N -1 0 388.375 3.793 50 0 biogenic GHAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227779762 209188561 /nfs/dbraw/zinc/18/85/61/209188561.db2.gz IQSWARWUUVMLHU-PGUXBMHVSA-N -1 0 392.912 3.657 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225507974 211903722 /nfs/dbraw/zinc/90/37/22/211903722.db2.gz YWAQIPVMZSCRFK-FQEVSTJZSA-N -1 0 388.427 3.562 50 0 GHAARM O=C(Nc1cc(F)cc(F)c1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301761 211399283 /nfs/dbraw/zinc/39/92/83/211399283.db2.gz YFKWJJGOAPTDRL-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM CCCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100621159 211388497 /nfs/dbraw/zinc/38/84/97/211388497.db2.gz YUYSPVNHYRIDBV-UHFFFAOYSA-N -1 0 384.863 3.743 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000096322187 211334822 /nfs/dbraw/zinc/33/48/22/211334822.db2.gz PVOWZKNSFCRBGS-UHFFFAOYSA-N -1 0 387.436 3.632 50 0 GHAARM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1CC(=O)[O-] ZINC000095427691 211239525 /nfs/dbraw/zinc/23/95/25/211239525.db2.gz IJLNFFICNFZDBY-UHFFFAOYSA-N -1 0 378.432 3.769 50 0 GHAARM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](CCO)c3ccccc3)n2)cc1 ZINC000095453490 211242512 /nfs/dbraw/zinc/24/25/12/211242512.db2.gz IBIMLUUBBLGWIU-HXUWFJFHSA-N -1 0 393.487 3.897 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC000095367483 211227496 /nfs/dbraw/zinc/22/74/96/211227496.db2.gz NIVCRRWUFSBHIK-SFHVURJKSA-N -1 0 375.428 3.590 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC000089626541 211182608 /nfs/dbraw/zinc/18/26/08/211182608.db2.gz JTWCLWVVNUNXEV-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(NC(=O)C2CCC2)ccc1Cl ZINC000071286138 211043808 /nfs/dbraw/zinc/04/38/08/211043808.db2.gz GEGHGUUKRDZQKF-UHFFFAOYSA-N -1 0 386.835 3.958 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(F)c2)CC(=O)N3)c1 ZINC000066087463 211000634 /nfs/dbraw/zinc/00/06/34/211000634.db2.gz IYGCZJNKVZWMCV-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM CSc1cccc(NC(=O)C[C@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)c1 ZINC000061719673 210930674 /nfs/dbraw/zinc/93/06/74/210930674.db2.gz IBSURKHILFPMJU-OAHLLOKOSA-N -1 0 388.470 3.548 50 0 GHAARM O=C([O-])[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000040283456 210782755 /nfs/dbraw/zinc/78/27/55/210782755.db2.gz RMIFFJDFFNVBAC-OAQYLSRUSA-N -1 0 383.407 3.853 50 0 GHAARM CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000021781702 210393899 /nfs/dbraw/zinc/39/38/99/210393899.db2.gz HIJMTHJXAITRNI-UHFFFAOYSA-N -1 0 399.468 3.611 50 0 GHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000021033194 210374053 /nfs/dbraw/zinc/37/40/53/210374053.db2.gz UBKAMCNYYVROAL-UHFFFAOYSA-N -1 0 386.429 3.662 50 0 GHAARM COc1ccc(C(=O)Nc2c([O-])c3ccccc3oc2=O)cc1Br ZINC000020853705 210362457 /nfs/dbraw/zinc/36/24/57/210362457.db2.gz IGKFTGXKDGRQCA-UHFFFAOYSA-N -1 0 390.189 3.522 50 0 GHAARM CN1c2ccc(S(=O)(=O)[N-]c3nc4ccccc4s3)c3cccc(c23)C1=O ZINC000019923877 210306545 /nfs/dbraw/zinc/30/65/45/210306545.db2.gz ZAMKILOAOLWNBA-UHFFFAOYSA-N -1 0 395.465 3.840 50 0 GHAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000064820642 136157786 /nfs/dbraw/zinc/15/77/86/136157786.db2.gz TZXMSEDNBCNZCN-MRXNPFEDSA-N -1 0 381.476 3.757 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627428 570278076 /nfs/dbraw/zinc/27/80/76/570278076.db2.gz TWIDTHZECKCECT-IRXDYDNUSA-N -1 0 378.428 3.853 50 0 GHAARM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000023054865 570342130 /nfs/dbraw/zinc/34/21/30/570342130.db2.gz OEJZNWNZPZQWBU-UHFFFAOYSA-N -1 0 376.331 3.604 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c(C)c1 ZINC000035378082 570346433 /nfs/dbraw/zinc/34/64/33/570346433.db2.gz RIQDSXYHHUGTRN-UHFFFAOYSA-N -1 0 389.864 3.508 50 0 GHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000035397377 570348678 /nfs/dbraw/zinc/34/86/78/570348678.db2.gz YQNXRMYFHMCSLO-UHFFFAOYSA-N -1 0 391.493 3.515 50 0 GHAARM Cc1ccc(C(=O)N2CCc3[nH]c(-c4cccc(C(=O)[O-])c4)nc3C2)c(C)c1 ZINC000219421225 570360164 /nfs/dbraw/zinc/36/01/64/570360164.db2.gz BEDFZJBNQVWOCV-UHFFFAOYSA-N -1 0 375.428 3.590 50 0 GHAARM O=C([O-])c1nccnc1C(=O)Nc1cc(Cl)c(-n2cccc2)cc1Cl ZINC000004307500 570366644 /nfs/dbraw/zinc/36/66/44/570366644.db2.gz DUFPAOIMPYDNGA-UHFFFAOYSA-N -1 0 377.187 3.525 50 0 GHAARM Cc1nc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)oc1-c1ccccc1 ZINC000237712656 570391716 /nfs/dbraw/zinc/39/17/16/570391716.db2.gz RROKMSCNZAJCBD-BZSNNMDCSA-N -1 0 382.460 3.827 50 0 GHAARM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000004742258 570401414 /nfs/dbraw/zinc/40/14/14/570401414.db2.gz UZLKDUHOCXEIPY-UHFFFAOYSA-N -1 0 380.469 3.559 50 0 GHAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006362154 570401556 /nfs/dbraw/zinc/40/15/56/570401556.db2.gz MGDGEASATCBABI-INIZCTEOSA-N -1 0 380.469 3.978 50 0 GHAARM COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC000004745117 570401647 /nfs/dbraw/zinc/40/16/47/570401647.db2.gz SACYRGOITGWDBF-UHFFFAOYSA-N -1 0 389.404 3.575 50 0 GHAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253489 570403256 /nfs/dbraw/zinc/40/32/56/570403256.db2.gz RHNQRJGWPMRBJL-UHFFFAOYSA-N -1 0 376.478 3.812 50 0 GHAARM Nn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000005072094 570412524 /nfs/dbraw/zinc/41/25/24/570412524.db2.gz HJIWCTBYTLLJFE-UHFFFAOYSA-N -1 0 395.271 3.956 50 0 GHAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000237925469 570413008 /nfs/dbraw/zinc/41/30/08/570413008.db2.gz XQSGZKGAGKUAJT-AWEZNQCLSA-N -1 0 392.402 3.798 50 0 GHAARM COc1ccc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)cc1OC ZINC000524729193 570420332 /nfs/dbraw/zinc/42/03/32/570420332.db2.gz ICNKKXYEJATOLG-UHFFFAOYSA-N -1 0 380.352 3.851 50 0 biogenic GHAARM CCCCn1c(C)c(C)nc1SCC(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000026122113 570422298 /nfs/dbraw/zinc/42/22/98/570422298.db2.gz WYEKEPXWUFBEKS-UHFFFAOYSA-N -1 0 375.494 3.939 50 0 GHAARM C[C@H](Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3)C(=O)[O-] ZINC000005151718 570428800 /nfs/dbraw/zinc/42/88/00/570428800.db2.gz FCINBALSWFRUGZ-NSHDSACASA-N -1 0 386.498 3.560 50 0 GHAARM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000239310445 570429103 /nfs/dbraw/zinc/42/91/03/570429103.db2.gz ILAXCMFXNDTTON-JRSUCEMESA-N -1 0 380.440 3.607 50 0 GHAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000006497722 570457156 /nfs/dbraw/zinc/45/71/56/570457156.db2.gz QOHQNMMXUHOVKE-UHFFFAOYSA-N -1 0 393.770 3.946 50 0 GHAARM CCc1cc(C(N)=O)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000027929361 570465649 /nfs/dbraw/zinc/46/56/49/570465649.db2.gz QBWASYUGFIVGBH-UHFFFAOYSA-N -1 0 379.290 3.517 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C)CC1 ZINC000006404299 570479188 /nfs/dbraw/zinc/47/91/88/570479188.db2.gz LYGLJSFDCNWRFR-UHFFFAOYSA-N -1 0 390.480 3.807 50 0 GHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2Cl)cc1 ZINC000061719526 570502175 /nfs/dbraw/zinc/50/21/75/570502175.db2.gz DJWBCXQHLTVWOG-OAHLLOKOSA-N -1 0 381.819 3.757 50 0 GHAARM O=C([O-])C[C@H]1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000084579078 570516227 /nfs/dbraw/zinc/51/62/27/570516227.db2.gz QBHUAXHVBMIIHO-HBWSCVEGSA-N -1 0 377.849 3.719 50 0 GHAARM CC1CCN(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])CC1 ZINC000032962068 570542556 /nfs/dbraw/zinc/54/25/56/570542556.db2.gz ZSTLTPKQFFZRKG-UHFFFAOYSA-N -1 0 392.452 3.561 50 0 GHAARM O=S(=O)([N-]Cc1sccc1COc1ccc(Cl)cc1)C(F)(F)F ZINC000036047230 570560123 /nfs/dbraw/zinc/56/01/23/570560123.db2.gz LUXXYWYDTNKSIS-UHFFFAOYSA-N -1 0 385.816 3.920 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl ZINC000036378215 570564147 /nfs/dbraw/zinc/56/41/47/570564147.db2.gz WFJZFEXHLJNUBP-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2sc1=O ZINC000064946801 570602899 /nfs/dbraw/zinc/60/28/99/570602899.db2.gz GFHXHFZJMAAGQJ-UHFFFAOYSA-N -1 0 398.893 3.546 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C ZINC000065009075 570645949 /nfs/dbraw/zinc/64/59/49/570645949.db2.gz NUIYTUPXEHWCME-UHFFFAOYSA-N -1 0 377.491 3.575 50 0 GHAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)s2)c1C ZINC000065031343 570652073 /nfs/dbraw/zinc/65/20/73/570652073.db2.gz DTEUVOCPSYYXDB-UHFFFAOYSA-N -1 0 392.458 3.592 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1OC ZINC000012414324 570668437 /nfs/dbraw/zinc/66/84/37/570668437.db2.gz LBPBLGMOKOCMKP-UHFFFAOYSA-N -1 0 395.433 3.636 50 0 GHAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2ccc(O)cc2)cc1 ZINC000032625322 570709662 /nfs/dbraw/zinc/70/96/62/570709662.db2.gz MDOFFYPSLKIDGH-AUWJEWJLSA-N -1 0 384.391 3.960 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000065184002 570722623 /nfs/dbraw/zinc/72/26/23/570722623.db2.gz ZXWKOTKPDCDKSW-UHFFFAOYSA-N -1 0 384.914 3.931 50 0 GHAARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2C1 ZINC000065196122 570728328 /nfs/dbraw/zinc/72/83/28/570728328.db2.gz KVANYPOJRZUUIA-UHFFFAOYSA-N -1 0 378.519 3.577 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1 ZINC000065196288 570728417 /nfs/dbraw/zinc/72/84/17/570728417.db2.gz XFMVVZYBOGTKBS-UHFFFAOYSA-N -1 0 390.530 3.542 50 0 GHAARM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CCCCC1 ZINC000005985640 570811801 /nfs/dbraw/zinc/81/18/01/570811801.db2.gz NHTIGKILXKSQRW-UHFFFAOYSA-N -1 0 378.881 3.767 50 0 GHAARM CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004672040 570820274 /nfs/dbraw/zinc/82/02/74/570820274.db2.gz GUNODGGFSQOICX-KNQAVFIVSA-N -1 0 396.418 3.655 50 0 GHAARM COc1cnccc1[C@@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000170603187 570861942 /nfs/dbraw/zinc/86/19/42/570861942.db2.gz NVQJRZZKPDRVQG-CQSZACIVSA-N -1 0 380.448 3.596 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)cc2[n-]c1=S ZINC000102832520 570866342 /nfs/dbraw/zinc/86/63/42/570866342.db2.gz DYQLTDZMIDBUKP-OLZOCXBDSA-N -1 0 399.438 3.556 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2[n-]c1=S ZINC000102832512 570866368 /nfs/dbraw/zinc/86/63/68/570866368.db2.gz DYQLTDZMIDBUKP-QWHCGFSZSA-N -1 0 399.438 3.556 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)s3)cc2[n-]c1=S ZINC000103125782 570876447 /nfs/dbraw/zinc/87/64/47/570876447.db2.gz ULQSZDDMMMVZCU-VIFPVBQESA-N -1 0 393.921 3.911 50 0 GHAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])s1 ZINC000003864111 570884970 /nfs/dbraw/zinc/88/49/70/570884970.db2.gz KIIDVIXMIMGPRS-KBPBESRZSA-N -1 0 379.478 3.873 50 0 GHAARM O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCc1ccco1 ZINC000023138229 570916468 /nfs/dbraw/zinc/91/64/68/570916468.db2.gz HBCQPIWWCVQVEH-UHFFFAOYSA-N -1 0 389.864 3.580 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)cs2)c1 ZINC000045961805 571006701 /nfs/dbraw/zinc/00/67/01/571006701.db2.gz BJGSZFCXBHDNSI-UHFFFAOYSA-N -1 0 378.519 3.874 50 0 GHAARM CC(C)Oc1ncc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000170672026 571007927 /nfs/dbraw/zinc/00/79/27/571007927.db2.gz CSSICEXIKAQOOO-BLLLJJGKSA-N -1 0 376.840 3.714 50 0 GHAARM CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 ZINC000019625437 571021483 /nfs/dbraw/zinc/02/14/83/571021483.db2.gz LVYCVAIYUMWUAC-UHFFFAOYSA-N -1 0 375.324 3.598 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)C1 ZINC000299746374 861288913 /nfs/dbraw/zinc/28/89/13/861288913.db2.gz WYNCQUOBGOBZCL-QEJZJMRPSA-N -1 0 385.382 3.792 50 0 GHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003419392 862396285 /nfs/dbraw/zinc/39/62/85/862396285.db2.gz ZACNQNTTXMXUJJ-UHFFFAOYSA-N -1 0 376.478 3.752 50 0 GHAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1)c1ccco1 ZINC000032098228 862810687 /nfs/dbraw/zinc/81/06/87/862810687.db2.gz UWYVGLYKJSMRRU-UHFFFAOYSA-N -1 0 376.821 3.986 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-c2nc(C)c(C)o2)c1 ZINC000040155191 856686312 /nfs/dbraw/zinc/68/63/12/856686312.db2.gz RXAVBTXVJBBGIZ-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000009009718 856697522 /nfs/dbraw/zinc/69/75/22/856697522.db2.gz RKYWSOLGBFAISM-QFIPXVFZSA-N -1 0 377.444 3.714 50 0 GHAARM Cc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(F)cc3)c2)c1C ZINC000009151974 856910914 /nfs/dbraw/zinc/91/09/14/856910914.db2.gz SPVGJTVMPMEGIX-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055149378 857383947 /nfs/dbraw/zinc/38/39/47/857383947.db2.gz HXLBJTPZTCMPMA-MSOLQXFVSA-N -1 0 378.428 3.853 50 0 GHAARM Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1C ZINC000004317379 862957102 /nfs/dbraw/zinc/95/71/02/862957102.db2.gz PVGOHVVWGHEHCZ-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM CC(C)c1nn(C)c2sc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc12 ZINC000262854912 882266452 /nfs/dbraw/zinc/26/64/52/882266452.db2.gz IDLPDUNDHIKDOZ-JKSUJKDBSA-N -1 0 397.500 3.699 50 0 GHAARM C[C@@H]1CCn2ncc(C(=O)N3CCC([C@H](CC(=O)[O-])c4ccccc4)CC3)c2C1 ZINC000621544415 884830571 /nfs/dbraw/zinc/83/05/71/884830571.db2.gz WDXPTECZTFZOKQ-VQIMIIECSA-N -1 0 395.503 3.576 50 0 GHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccccc2)n1 ZINC000018263328 210219106 /nfs/dbraw/zinc/21/91/06/210219106.db2.gz JDPFTLZMFDNYDW-UHFFFAOYSA-N -1 0 388.470 3.539 50 0 GHAARM COc1ccc(-c2c[n-]n3c2nc(C)c(Cc2ccccc2)c3=O)cc1OC ZINC000018217600 210217871 /nfs/dbraw/zinc/21/78/71/210217871.db2.gz GHBCLKJSGCUTRF-UHFFFAOYSA-N -1 0 375.428 3.606 50 0 GHAARM C[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1cccc(Cl)c1 ZINC000017908646 210211641 /nfs/dbraw/zinc/21/16/41/210211641.db2.gz VITCZBLDCWZYCD-LBPRGKRZSA-N -1 0 387.892 3.980 50 0 GHAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017079338 210202872 /nfs/dbraw/zinc/20/28/72/210202872.db2.gz KCQRKIKKAFZQKN-UHFFFAOYSA-N -1 0 388.489 3.742 50 0 GHAARM CC[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080213 210202882 /nfs/dbraw/zinc/20/28/82/210202882.db2.gz QHZUPRCVGAWDOZ-VXGBXAGGSA-N -1 0 392.521 3.595 50 0 GHAARM O=C([O-])c1cc(Cl)c(OCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1 ZINC000013423495 210061761 /nfs/dbraw/zinc/06/17/61/210061761.db2.gz ZAUNXMDZDICFCG-UHFFFAOYSA-N -1 0 393.226 3.707 50 0 GHAARM Cc1ccc(-c2nc(C(=O)[N-]n3cnc4ccc(Cl)cc4c3=O)cs2)cc1 ZINC000012814085 210014188 /nfs/dbraw/zinc/01/41/88/210014188.db2.gz UEXMCBDEFNIRDE-UHFFFAOYSA-N -1 0 396.859 3.866 50 0 GHAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000009550309 209833039 /nfs/dbraw/zinc/83/30/39/209833039.db2.gz FIROUCYKLGHZJX-SFHVURJKSA-N -1 0 389.411 3.557 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000005094745 209569842 /nfs/dbraw/zinc/56/98/42/209569842.db2.gz IMTSCXFDHZSDIB-DHMWGJHJSA-N -1 0 393.505 3.870 50 0 GHAARM CC(C)(C)SCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005069380 209565621 /nfs/dbraw/zinc/56/56/21/209565621.db2.gz VQUHDQBPRQSAFL-UHFFFAOYSA-N -1 0 392.546 3.749 50 0 GHAARM CCN(C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000004821116 209529877 /nfs/dbraw/zinc/52/98/77/209529877.db2.gz SETHUCOLGVYWTM-UXHICEINSA-N -1 0 392.455 3.959 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000004628336 209503833 /nfs/dbraw/zinc/50/38/33/209503833.db2.gz OZWTZZHRAGQRGB-OSRDXIQISA-N -1 0 391.489 3.646 50 0 GHAARM CCOc1ccc(/C=C2/Sc3ccc(C(=O)[O-])cc3N(C)C2=O)cc1OC ZINC000003030118 209407316 /nfs/dbraw/zinc/40/73/16/209407316.db2.gz WVLAFLVHXKQDQU-VCHYOVAHSA-N -1 0 385.441 3.902 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000002779198 209383499 /nfs/dbraw/zinc/38/34/99/209383499.db2.gz GWAIJPXAMMIWNC-UHFFFAOYSA-N -1 0 397.287 3.742 50 0 GHAARM CCOc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2OC)cc1 ZINC000002651884 209375825 /nfs/dbraw/zinc/37/58/25/209375825.db2.gz UOFMBYRNJOHUFQ-UHFFFAOYSA-N -1 0 385.445 3.518 50 0 GHAARM CC[C@@H](C(=O)[O-])n1cnc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1=O ZINC000001784729 209340097 /nfs/dbraw/zinc/34/00/97/209340097.db2.gz KUYNWHILKZJSFU-AWEZNQCLSA-N -1 0 399.472 3.671 50 0 GHAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2)c1 ZINC000001216051 209314725 /nfs/dbraw/zinc/31/47/25/209314725.db2.gz LLWDLYAWKCIWIL-UHFFFAOYSA-N -1 0 390.395 3.655 50 0 GHAARM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccs1 ZINC000001179120 209311038 /nfs/dbraw/zinc/31/10/38/209311038.db2.gz SBEDKZQFXVBCRD-JXMROGBWSA-N -1 0 383.281 3.886 50 0 GHAARM CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)/C=C/C(=O)[O-] ZINC000001114069 209302806 /nfs/dbraw/zinc/30/28/06/209302806.db2.gz KUTWNXMJBXDSFX-MDZDMXLPSA-N -1 0 389.429 3.570 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)no1 ZINC000000945076 209281583 /nfs/dbraw/zinc/28/15/83/209281583.db2.gz HYZLKFAATFZTOQ-UHFFFAOYSA-N -1 0 391.836 3.690 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c(Cl)c1Cl ZINC000000628374 209251680 /nfs/dbraw/zinc/25/16/80/209251680.db2.gz ICFLIMYVVYLBRG-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM CCCN1c2cc([N-]S(=O)(=O)c3cccs3)ccc2OCC(C)(C)C1=O ZINC000009171710 209250297 /nfs/dbraw/zinc/25/02/97/209250297.db2.gz PECQBFJDRHUUDI-UHFFFAOYSA-N -1 0 394.518 3.711 50 0 GHAARM O=c1cc(CN2CCN(c3ccccc3F)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000054106037 209213489 /nfs/dbraw/zinc/21/34/89/209213489.db2.gz HIWQYKORDZZMGD-UHFFFAOYSA-N -1 0 388.826 3.613 50 0 GHAARM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000328596045 209145470 /nfs/dbraw/zinc/14/54/70/209145470.db2.gz PNAFQUBMMBCXLM-LBPRGKRZSA-N -1 0 381.416 3.922 50 0 GHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000006793845 211628439 /nfs/dbraw/zinc/62/84/39/211628439.db2.gz FTWFWVCSYGRYFT-VMPITWQZSA-N -1 0 376.206 3.808 50 0 GHAARM CCOc1cccc(/C=C\c2nc3ccccc3c(=O)n2CCCC(=O)[O-])c1 ZINC000097152302 211360041 /nfs/dbraw/zinc/36/00/41/211360041.db2.gz DTNXYDODYGQRCH-SEYXRHQNSA-N -1 0 378.428 3.830 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000096322220 211335290 /nfs/dbraw/zinc/33/52/90/211335290.db2.gz KQURAFXKYJUKSI-UHFFFAOYSA-N -1 0 381.379 3.707 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C)no2)c1 ZINC000096379754 211337476 /nfs/dbraw/zinc/33/74/76/211337476.db2.gz IWRBUNZMMQHSAH-UHFFFAOYSA-N -1 0 378.479 3.513 50 0 GHAARM O=C1NC(=Cc2cc(Cl)c([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000095483078 211251066 /nfs/dbraw/zinc/25/10/66/211251066.db2.gz FFSCDGAYHYLNDQ-JYRVWZFOSA-N -1 0 393.624 3.905 50 0 GHAARM COc1cc2c(cc1C(=O)N1CCC[C@@H](c3ccc(C(=O)[O-])cc3)C1)CCC2 ZINC000095384393 211234553 /nfs/dbraw/zinc/23/45/53/211234553.db2.gz JIIZHARSWYVKIJ-LJQANCHMSA-N -1 0 379.456 3.902 50 0 GHAARM O=C([O-])c1cc2cc(NC(=O)Cc3cnn(-c4ccccc4)c3)ccc2s1 ZINC000095349834 211220407 /nfs/dbraw/zinc/22/04/07/211220407.db2.gz QFMDFJWMPBHZRL-UHFFFAOYSA-N -1 0 377.425 3.966 50 0 GHAARM Cc1csc(N2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)n1 ZINC000078995512 211150856 /nfs/dbraw/zinc/15/08/56/211150856.db2.gz VZFPOMYIQIKQHG-UHFFFAOYSA-N -1 0 387.892 3.926 50 0 GHAARM O=C([O-])COc1ccc(Cl)cc1-c1nccn1-c1ccc2nccnc2c1 ZINC000071745534 211053097 /nfs/dbraw/zinc/05/30/97/211053097.db2.gz UXMWRTRHSWGGTB-UHFFFAOYSA-N -1 0 380.791 3.599 50 0 GHAARM O=C([O-])[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071759064 211057491 /nfs/dbraw/zinc/05/74/91/211057491.db2.gz HKBYLCCVTCSRMQ-QHCPKHFHSA-N -1 0 391.471 3.893 50 0 GHAARM CN(C(=O)c1ccccc1NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000071287023 211043488 /nfs/dbraw/zinc/04/34/88/211043488.db2.gz MHTPWBYATZOPST-UHFFFAOYSA-N -1 0 388.423 3.843 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4cccs4)no2)c3[O-])cc1 ZINC000065256961 210981467 /nfs/dbraw/zinc/98/14/67/210981467.db2.gz YZVHEKRMCROWON-UHFFFAOYSA-N -1 0 391.412 3.506 50 0 GHAARM O=S(=O)([N-]Cc1ccc(COCC(F)(F)F)cc1)c1c(F)cccc1F ZINC000021871413 210397496 /nfs/dbraw/zinc/39/74/96/210397496.db2.gz OYAMMRQEUOERRO-UHFFFAOYSA-N -1 0 395.349 3.522 50 0 GHAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000021033285 210374719 /nfs/dbraw/zinc/37/47/19/210374719.db2.gz ALNJNOZTGMDOOR-UHFFFAOYSA-N -1 0 380.372 3.738 50 0 GHAARM COc1ccc(Br)cc1C(=O)Nc1c([O-])c2ccccc2oc1=O ZINC000020853712 210362768 /nfs/dbraw/zinc/36/27/68/210362768.db2.gz SARZNLTVIVBTRI-UHFFFAOYSA-N -1 0 390.189 3.522 50 0 GHAARM O=c1[n-]c(=S)n(-c2cccc(Cl)c2)c2c1CN(Cc1ccccc1)CN2 ZINC000019875139 210304164 /nfs/dbraw/zinc/30/41/64/210304164.db2.gz PGTSQFVDXSFLHJ-UHFFFAOYSA-N -1 0 384.892 3.934 50 0 GHAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000000730664 570221656 /nfs/dbraw/zinc/22/16/56/570221656.db2.gz RPHZWZGGJPNYGV-UHFFFAOYSA-N -1 0 379.409 3.843 50 0 GHAARM CC(C)c1ncc(Cl)c(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)n1 ZINC000236625076 570247464 /nfs/dbraw/zinc/24/74/64/570247464.db2.gz IXASRNUESDAXNV-UHFFFAOYSA-N -1 0 387.867 3.512 50 0 GHAARM CCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@H](C)C2)c(C(=O)[O-])c1 ZINC000035196698 570248934 /nfs/dbraw/zinc/24/89/34/570248934.db2.gz PUGUIRNXVKMKMX-MRXNPFEDSA-N -1 0 381.476 3.757 50 0 GHAARM Cc1ccc(CCC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1Cl ZINC000014372474 570309590 /nfs/dbraw/zinc/30/95/90/570309590.db2.gz RYQJCKZRSKTYLA-UHFFFAOYSA-N -1 0 375.881 3.538 50 0 GHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000237269586 570341865 /nfs/dbraw/zinc/34/18/65/570341865.db2.gz HKQFXSNNEZWKLC-UHFFFAOYSA-N -1 0 387.863 3.745 50 0 GHAARM Cc1nc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(C)c3c2CCC3)cn1C ZINC000004297060 570366019 /nfs/dbraw/zinc/36/60/19/570366019.db2.gz GDXSSYWWHTWESP-UHFFFAOYSA-N -1 0 398.488 3.514 50 0 GHAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000237644378 570386957 /nfs/dbraw/zinc/38/69/57/570386957.db2.gz VJMDRZMPQWGKEG-MRXNPFEDSA-N -1 0 386.395 3.571 50 0 GHAARM CSc1ccccc1[N-]C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000006333123 570393806 /nfs/dbraw/zinc/39/38/06/570393806.db2.gz BXRVYYGYVFGLHH-UHFFFAOYSA-N -1 0 395.575 3.776 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CC[C@](C)(C(=O)[O-])C4)cc3)o2)cc1 ZINC000237774298 570396254 /nfs/dbraw/zinc/39/62/54/570396254.db2.gz KRITXLKBKNAYDO-QFIPXVFZSA-N -1 0 391.427 3.649 50 0 GHAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033078565 570401577 /nfs/dbraw/zinc/40/15/77/570401577.db2.gz FHCMUAFCDREQIY-UHFFFAOYSA-N -1 0 381.476 3.840 50 0 GHAARM Cc1nc(Nc2ccc(O)c(C(=O)[O-])c2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000025497853 570414997 /nfs/dbraw/zinc/41/49/97/570414997.db2.gz NIYMSKKRKVIPQR-UHFFFAOYSA-N -1 0 385.807 3.882 50 0 GHAARM O=C([O-])c1cc(C(=O)N2CC=C(c3cccs3)CC2)n(-c2ccccc2)n1 ZINC000237980328 570418029 /nfs/dbraw/zinc/41/80/29/570418029.db2.gz ZGEUKOTXMZWTLY-UHFFFAOYSA-N -1 0 379.441 3.562 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000238067456 570422877 /nfs/dbraw/zinc/42/28/77/570422877.db2.gz PTFSCPHOZRRSFH-WMZOPIPTSA-N -1 0 385.410 3.713 50 0 GHAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 ZINC000028286910 570454265 /nfs/dbraw/zinc/45/42/65/570454265.db2.gz QBGOFMNNSVDYAE-VIFPVBQESA-N -1 0 388.474 3.881 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000120233606 570474269 /nfs/dbraw/zinc/47/42/69/570474269.db2.gz OAZSYKPSAZQETG-CRAIPNDOSA-N -1 0 386.835 3.505 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)cc1O ZINC000061720687 570503491 /nfs/dbraw/zinc/50/34/91/570503491.db2.gz KLCWJLADNMBSGY-GFCCVEGCSA-N -1 0 396.374 3.503 50 0 GHAARM CC(C)Cn1c(=O)c2ccc(C(=O)NCc3ccccc3F)cc2[n-]c1=S ZINC000006648677 570518277 /nfs/dbraw/zinc/51/82/77/570518277.db2.gz LFFFOQOUCSBZPI-UHFFFAOYSA-N -1 0 385.464 3.784 50 0 GHAARM Cc1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(/C=C/c3ccccc3)=NO2)c(C)c1 ZINC000006662786 570526128 /nfs/dbraw/zinc/52/61/28/570526128.db2.gz QVUDYBPVOBNVOX-CZQLGGELSA-N -1 0 378.428 3.945 50 0 GHAARM COc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1OC ZINC000064757508 570536994 /nfs/dbraw/zinc/53/69/94/570536994.db2.gz AHESNXVQZUQBTO-UHFFFAOYSA-N -1 0 399.472 3.952 50 0 GHAARM CCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Br ZINC000009061823 570547542 /nfs/dbraw/zinc/54/75/42/570547542.db2.gz SSQKLPOEIZHBLR-UHFFFAOYSA-N -1 0 391.674 3.697 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1N1CCCC1=O ZINC000005329579 570554696 /nfs/dbraw/zinc/55/46/96/570554696.db2.gz MSZRDIXLAOKBQC-UHFFFAOYSA-N -1 0 384.501 3.801 50 0 GHAARM O=C([O-])c1ccccc1N[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000005338243 570556648 /nfs/dbraw/zinc/55/66/48/570556648.db2.gz AKDHOYKSVRJXGT-ZDUSSCGKSA-N -1 0 393.679 3.985 50 0 GHAARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000005448581 570595522 /nfs/dbraw/zinc/59/55/22/570595522.db2.gz LOWRMFOZCMJCQZ-LAPQFRIASA-N -1 0 382.847 3.981 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000064947325 570604338 /nfs/dbraw/zinc/60/43/38/570604338.db2.gz WLDNTMZYWAVCLK-UHFFFAOYSA-N -1 0 383.473 3.801 50 0 GHAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccccc3OC(F)F)nc(=O)c12 ZINC000005901498 570666519 /nfs/dbraw/zinc/66/65/19/570666519.db2.gz CHZJMGVWADKGMI-VOTSOKGWSA-N -1 0 378.356 3.763 50 0 GHAARM COc1cc(/C=C2\C(C)=NN(c3cccc(C(=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000083314136 570701427 /nfs/dbraw/zinc/70/14/27/570701427.db2.gz STWZZCLUGZDJLV-VCHYOVAHSA-N -1 0 394.427 3.987 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1F ZINC000058366984 570729323 /nfs/dbraw/zinc/72/93/23/570729323.db2.gz FQRPZHMGFBMQRF-UHFFFAOYSA-N -1 0 388.376 3.512 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2ccc(C)c(C)c2)c3[O-])cc1 ZINC000065249969 570748470 /nfs/dbraw/zinc/74/84/70/570748470.db2.gz FTOYVBBYVVFSES-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)CCC2 ZINC000036612336 570756782 /nfs/dbraw/zinc/75/67/82/570756782.db2.gz ZKMRWIFLXLNFGU-UYAOXDASSA-N -1 0 385.485 3.551 50 0 GHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\C(=O)[O-])c2C(=O)OC)C1 ZINC000005908708 570802954 /nfs/dbraw/zinc/80/29/54/570802954.db2.gz UFCUVRGIXPGMDF-IQQGHNRFSA-N -1 0 379.478 3.655 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)no1 ZINC000005681310 570807681 /nfs/dbraw/zinc/80/76/81/570807681.db2.gz XCIFYYTXUCQSRT-UHFFFAOYSA-N -1 0 391.836 3.690 50 0 GHAARM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000065488792 570824448 /nfs/dbraw/zinc/82/44/48/570824448.db2.gz GENPRLDPOVINBM-UHFFFAOYSA-N -1 0 399.520 3.739 50 0 GHAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(C(C)C)cc3)C2)c([O-])[nH]c1=S ZINC000101495321 570825057 /nfs/dbraw/zinc/82/50/57/570825057.db2.gz KAOASLRZVNDLEE-OAHLLOKOSA-N -1 0 386.521 3.974 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723228 570830217 /nfs/dbraw/zinc/83/02/17/570830217.db2.gz FAOIEILGPSWFOD-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OC)cc3)no2)c1=O ZINC000101725372 570831391 /nfs/dbraw/zinc/83/13/91/570831391.db2.gz KQSPTXLSJRUHOR-UHFFFAOYSA-N -1 0 377.400 3.843 50 0 GHAARM CC(=O)C(CC(=O)N1CCC(Cc2ccccc2)CC1)=C([O-])c1ccccc1 ZINC000102219519 570844180 /nfs/dbraw/zinc/84/41/80/570844180.db2.gz LODDISNMZVZTMT-QFIPXVFZSA-N -1 0 377.484 3.946 50 0 GHAARM O=C(NCc1ccc(F)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000102621912 570854343 /nfs/dbraw/zinc/85/43/43/570854343.db2.gz KKZPLKBEGROUOA-UHFFFAOYSA-N -1 0 388.398 3.765 50 0 GHAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000033253902 570862013 /nfs/dbraw/zinc/86/20/13/570862013.db2.gz LXKWQMFOFDSALG-UHFFFAOYSA-N -1 0 396.468 3.822 50 0 GHAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(F)cc1 ZINC000102901258 570870981 /nfs/dbraw/zinc/87/09/81/570870981.db2.gz OZRWLGSZXPNNDG-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C ZINC000002150291 570972486 /nfs/dbraw/zinc/97/24/86/570972486.db2.gz XIBDKTHWNZRHSZ-QGZVFWFLSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000045900297 571000028 /nfs/dbraw/zinc/00/00/28/571000028.db2.gz NWERTUIVHBWPDT-LLVKDONJSA-N -1 0 386.395 3.568 50 0 GHAARM Cc1nc2nnc(SCc3ccccc3Cl)n2c(C)c1CCC(=O)[O-] ZINC000007636247 571008202 /nfs/dbraw/zinc/00/82/02/571008202.db2.gz LVAXCQHMZJXQHR-UHFFFAOYSA-N -1 0 376.869 3.704 50 0 GHAARM O=C([O-])Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000170675907 571008514 /nfs/dbraw/zinc/00/85/14/571008514.db2.gz VMBKNLQPNCFTHX-UHFFFAOYSA-N -1 0 391.305 3.635 50 0 GHAARM Cc1oc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(=O)[O-] ZINC000299753660 861291267 /nfs/dbraw/zinc/29/12/67/861291267.db2.gz YXHJYZQCOJWIQO-UHFFFAOYSA-N -1 0 391.851 3.646 50 0 GHAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1C ZINC000079111603 849254139 /nfs/dbraw/zinc/25/41/39/849254139.db2.gz AADJHUOGSWOMPJ-UHFFFAOYSA-N -1 0 390.383 3.628 50 0 GHAARM CCN(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)c1ccccc1 ZINC000002974338 862077551 /nfs/dbraw/zinc/07/75/51/862077551.db2.gz UTGUKQXETMWYJC-UHFFFAOYSA-N -1 0 383.473 3.704 50 0 GHAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCc2ccccc21 ZINC000032059618 862791868 /nfs/dbraw/zinc/79/18/68/862791868.db2.gz LGOXSTZNCWUEAQ-UHFFFAOYSA-N -1 0 398.509 3.681 50 0 GHAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)c2ncccc12 ZINC000040152687 856685218 /nfs/dbraw/zinc/68/52/18/856685218.db2.gz FKBUSFMINNUZNP-UHFFFAOYSA-N -1 0 382.850 3.537 50 0 GHAARM O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000004317405 862957112 /nfs/dbraw/zinc/95/71/12/862957112.db2.gz LBEOAFCJWVZSLT-UHFFFAOYSA-N -1 0 386.864 3.552 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)[n-]c2=O)cc1 ZINC000004317377 862957261 /nfs/dbraw/zinc/95/72/61/862957261.db2.gz KAKAPZSUTGUIEV-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM O=C([O-])c1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002259111 860462427 /nfs/dbraw/zinc/46/24/27/860462427.db2.gz QXJMNCNXWQVJPI-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3)c2)c(C)c1 ZINC000021931912 860989148 /nfs/dbraw/zinc/98/91/48/860989148.db2.gz ZBFIKGAULKSEFH-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NC(=O)C=Cc1cc2c(c(Cl)c1)OCO2 ZINC000096011843 883589383 /nfs/dbraw/zinc/58/93/83/883589383.db2.gz GRAKTRMWBRRSNW-BQYQJAHWSA-N -1 0 397.818 3.508 50 0 GHAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)o2)cc1 ZINC000217903203 894660501 /nfs/dbraw/zinc/66/05/01/894660501.db2.gz BLZLQUXKOYWRBE-AWEZNQCLSA-N -1 0 378.336 3.815 50 0 biogenic GHAARM CC(C)c1nc([C@H]2CCCCCN2C(=O)C[C@H](C(=O)[O-])c2ccccc2)no1 ZINC000634911310 904607090 /nfs/dbraw/zinc/60/70/90/904607090.db2.gz VURGXHUWEBMXJF-DLBZAZTESA-N -1 0 385.464 3.895 50 0 GHAARM N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096663365 914903962 /nfs/dbraw/zinc/90/39/62/914903962.db2.gz LBVJLRDKDYZBTL-YFHOEESVSA-N -1 0 377.219 3.754 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000005890743 916044668 /nfs/dbraw/zinc/04/46/68/916044668.db2.gz VIRWACCRKGBCQO-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM O=C([O-])CCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 ZINC000017081458 210204893 /nfs/dbraw/zinc/20/48/93/210204893.db2.gz PXYXOXZPRYIJEN-UHFFFAOYSA-N -1 0 398.440 3.741 50 0 GHAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)N2CCCCC2)C1 ZINC000017080212 210202773 /nfs/dbraw/zinc/20/27/73/210202773.db2.gz KNDZJLNPWAPNIN-ZDUSSCGKSA-N -1 0 392.521 3.692 50 0 GHAARM O=C([O-])c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000014185010 210106944 /nfs/dbraw/zinc/10/69/44/210106944.db2.gz XHRYYIPXUHDFJT-UHFFFAOYSA-N -1 0 393.468 3.652 50 0 GHAARM O=C([O-])c1cnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1-c1ccccc1 ZINC000012627649 209988331 /nfs/dbraw/zinc/98/83/31/209988331.db2.gz RGVQMIMRTJRCIW-GOSISDBHSA-N -1 0 393.468 3.683 50 0 GHAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006243940 209638338 /nfs/dbraw/zinc/63/83/38/209638338.db2.gz MNUOIYBYNBUXHM-UHFFFAOYSA-N -1 0 387.288 3.934 50 0 GHAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000005101805 209571410 /nfs/dbraw/zinc/57/14/10/209571410.db2.gz ZOSVBXJHATYPHO-XSFVSMFZSA-N -1 0 386.407 3.794 50 0 GHAARM CCn1c2ccccc2c2nnc(SCc3nc(=O)c4sccc4[n-]3)nc21 ZINC000003867506 209455803 /nfs/dbraw/zinc/45/58/03/209455803.db2.gz MBERQOYCUOWPTM-UHFFFAOYSA-N -1 0 394.485 3.590 50 0 GHAARM CCc1oc2cc(O[C@@H](C)C(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000004023501 209460025 /nfs/dbraw/zinc/46/00/25/209460025.db2.gz RTSZZDYBFBYOIY-LBPRGKRZSA-N -1 0 396.395 3.646 50 0 biogenic GHAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC ZINC000002890521 209396143 /nfs/dbraw/zinc/39/61/43/209396143.db2.gz RGLNKGKXMVVKEJ-UHFFFAOYSA-N -1 0 385.869 3.865 50 0 GHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1Cl ZINC000002472495 209366169 /nfs/dbraw/zinc/36/61/69/209366169.db2.gz JCMVSVKBDLONRR-PBHICJAKSA-N -1 0 379.865 3.716 50 0 GHAARM COc1ccc(-c2nnc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])s2)cc1 ZINC000002777368 209383426 /nfs/dbraw/zinc/38/34/26/209383426.db2.gz OIQXIJJTXKAISO-HUUCEWRRSA-N -1 0 387.461 3.599 50 0 GHAARM COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002759741 209382901 /nfs/dbraw/zinc/38/29/01/209382901.db2.gz HIOPPCSKKYOQFP-QWRGUYRKSA-N -1 0 391.470 3.869 50 0 GHAARM COC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002759740 209382051 /nfs/dbraw/zinc/38/20/51/209382051.db2.gz HIOPPCSKKYOQFP-GHMZBOCLSA-N -1 0 391.470 3.869 50 0 GHAARM COc1ccc(-c2nnc(SCCC(=O)[O-])n2-c2ccccc2)cc1OC ZINC000002710157 209378086 /nfs/dbraw/zinc/37/80/86/209378086.db2.gz NEUGQUWUYLGGPP-UHFFFAOYSA-N -1 0 385.445 3.518 50 0 GHAARM CCOC(=O)c1ccc([N-][C@@](NC(=O)OC)(c2ccccc2)C(F)(F)F)o1 ZINC000002654112 209375962 /nfs/dbraw/zinc/37/59/62/209375962.db2.gz AAZVZCSKHNGOIT-MRXNPFEDSA-N -1 0 386.326 3.640 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)c(C)c1 ZINC000002642000 209374060 /nfs/dbraw/zinc/37/40/60/209374060.db2.gz OSGGDKLZLANPQZ-MRXNPFEDSA-N -1 0 381.881 3.760 50 0 GHAARM CC(C)(C)OC(=O)c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000002244310 209352069 /nfs/dbraw/zinc/35/20/69/209352069.db2.gz IRYLLSSJKNKUNJ-SFHVURJKSA-N -1 0 399.443 3.564 50 0 GHAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc2ccccc2c1 ZINC000001160467 209309104 /nfs/dbraw/zinc/30/91/04/209309104.db2.gz MLBNLTPNGMLBSN-UHFFFAOYSA-N -1 0 380.425 3.673 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Br)s1 ZINC000001148540 209306994 /nfs/dbraw/zinc/30/69/94/209306994.db2.gz UXUQIIMVLPUEBU-UHFFFAOYSA-N -1 0 375.294 3.921 50 0 GHAARM O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001142792 209304931 /nfs/dbraw/zinc/30/49/31/209304931.db2.gz CEKNJTUDLPHDRL-UHFFFAOYSA-N -1 0 376.453 3.689 50 0 GHAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccncc1 ZINC000001041517 209292454 /nfs/dbraw/zinc/29/24/54/209292454.db2.gz GMWNQDTXFHCFJL-UXHICEINSA-N -1 0 376.387 3.786 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000000942206 209280957 /nfs/dbraw/zinc/28/09/57/209280957.db2.gz UIAHBWHJZBKBPH-CQSZACIVSA-N -1 0 395.358 3.828 50 0 GHAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103216 209228832 /nfs/dbraw/zinc/22/88/32/209228832.db2.gz GBVFPGPXTHTWFB-QGZVFWFLSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1csc(Cc2ccccc2F)n1 ZINC000237998239 211477952 /nfs/dbraw/zinc/47/79/52/211477952.db2.gz IJLNRJXVRJIKIE-CQSZACIVSA-N -1 0 376.453 3.733 50 0 GHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3-c3nc(=O)c(-c4ccccc4)nn32)cc1 ZINC000101167910 211397199 /nfs/dbraw/zinc/39/71/99/211397199.db2.gz NVROPFMMEDCXRG-HXUWFJFHSA-N -1 0 396.406 3.643 50 0 GHAARM CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=S)n(C2CCCCC2)c1=O ZINC000101011200 211394656 /nfs/dbraw/zinc/39/46/56/211394656.db2.gz WVFZBINHBHCSMF-SFHVURJKSA-N -1 0 399.516 3.611 50 0 GHAARM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000096936610 211353589 /nfs/dbraw/zinc/35/35/89/211353589.db2.gz UQDNKGYUGXDRCS-XFFZJAGNSA-N -1 0 376.416 3.543 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc1OC ZINC000096323447 211334299 /nfs/dbraw/zinc/33/42/99/211334299.db2.gz IRSHBEFJGHKYFK-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CSCc1ccc(-c2nc([C@H]3CCOC3)nn2-c2ccccc2C(=O)[O-])o1 ZINC000096148881 211309928 /nfs/dbraw/zinc/30/99/28/211309928.db2.gz OYZOIOCLMMDKBM-LBPRGKRZSA-N -1 0 385.445 3.592 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c1 ZINC000095388066 211235595 /nfs/dbraw/zinc/23/55/95/211235595.db2.gz CPFKNSUNBYAVOS-QGZVFWFLSA-N -1 0 377.444 3.600 50 0 GHAARM CC(C)n1cnnc1SCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000095349925 211219615 /nfs/dbraw/zinc/21/96/15/211219615.db2.gz YCBBWAPVXOVUPZ-UHFFFAOYSA-N -1 0 376.463 3.503 50 0 GHAARM CCOc1ccc(-c2ccnc(NCc3sc(C)nc3C)n2)cc1C(=O)[O-] ZINC000077455426 211134931 /nfs/dbraw/zinc/13/49/31/211134931.db2.gz ZAAKBMMIJLFBQE-UHFFFAOYSA-N -1 0 384.461 3.926 50 0 GHAARM CCCc1nc(C)sc1C(=O)N=c1[n-]c(C(=O)OC)c(CC(C)C)s1 ZINC000072402370 211111505 /nfs/dbraw/zinc/11/15/05/211111505.db2.gz RDFWCJMQFCPUOT-UHFFFAOYSA-N -1 0 381.523 3.520 50 0 GHAARM O=S(=O)([N-]c1cc(-c2cccs2)no1)c1ccccc1Br ZINC000065153404 210969991 /nfs/dbraw/zinc/96/99/91/210969991.db2.gz GLYXNFAJBARTGB-UHFFFAOYSA-N -1 0 385.264 3.966 50 0 GHAARM O=C(N[C@H]1C[C@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000063108169 210933732 /nfs/dbraw/zinc/93/37/32/210933732.db2.gz XUEBPBYVLKEAPJ-ZFWWWQNUSA-N -1 0 387.361 3.883 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097532 210572706 /nfs/dbraw/zinc/57/27/06/210572706.db2.gz LCYOSGNXORKXDF-UHFFFAOYSA-N -1 0 388.445 3.933 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000020855783 210363589 /nfs/dbraw/zinc/36/35/89/210363589.db2.gz YRINRQUYHAADQY-WOJBJXKFSA-N -1 0 376.460 3.668 50 0 GHAARM CC(C)(C)NC(=O)COc1ccc(CNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000020467937 210340028 /nfs/dbraw/zinc/34/00/28/210340028.db2.gz KTRQYSYAPIEKRV-UHFFFAOYSA-N -1 0 390.867 3.944 50 0 GHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000008840542 136195719 /nfs/dbraw/zinc/19/57/19/136195719.db2.gz JBRPYMAPQTTZEP-UHFFFAOYSA-N -1 0 378.881 3.830 50 0 GHAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000008840912 535385014 /nfs/dbraw/zinc/38/50/14/535385014.db2.gz YXQZZOBOVPMTMC-UHFFFAOYSA-N -1 0 378.519 3.874 50 0 GHAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000001158412 570251005 /nfs/dbraw/zinc/25/10/05/570251005.db2.gz RZMQFHPIJAKKLT-UHFFFAOYSA-N -1 0 380.425 3.673 50 0 GHAARM CSc1ncc2c([O-])c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 ZINC000102053769 570286774 /nfs/dbraw/zinc/28/67/74/570286774.db2.gz XNJSXGDPLPFVCL-LLVKDONJSA-N -1 0 385.392 3.513 50 0 GHAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000006238619 570346369 /nfs/dbraw/zinc/34/63/69/570346369.db2.gz DBGFDTJLXXXHBA-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM C[C@@](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)(C(=O)[O-])c1ccccc1 ZINC000023625668 570367137 /nfs/dbraw/zinc/36/71/37/570367137.db2.gz IZUXDNXRNZHRAX-QFIPXVFZSA-N -1 0 392.411 3.903 50 0 GHAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnnn2C2CC2)cc1 ZINC000024843474 570396294 /nfs/dbraw/zinc/39/62/94/570396294.db2.gz BUCFMBZAVBFBRZ-AWEZNQCLSA-N -1 0 397.504 3.989 50 0 GHAARM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000032962073 570397695 /nfs/dbraw/zinc/39/76/95/570397695.db2.gz OTAVAIASGDJDSB-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)C1 ZINC000006382723 570402800 /nfs/dbraw/zinc/40/28/00/570402800.db2.gz XMNYTFSQARRUDT-HUUCEWRRSA-N -1 0 390.480 3.745 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1O ZINC000004945058 570419194 /nfs/dbraw/zinc/41/91/94/570419194.db2.gz PIDPDYOPKFCBAT-UHFFFAOYSA-N -1 0 382.397 3.657 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C ZINC000005109725 570419376 /nfs/dbraw/zinc/41/93/76/570419376.db2.gz MRPPMFDRHMEIPQ-UHFFFAOYSA-N -1 0 389.260 3.691 50 0 GHAARM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1)N1CCCC1 ZINC000044257127 570432731 /nfs/dbraw/zinc/43/27/31/570432731.db2.gz SROJCXGYWZXKDT-UHFFFAOYSA-N -1 0 382.844 3.516 50 0 GHAARM CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000005719004 570453084 /nfs/dbraw/zinc/45/30/84/570453084.db2.gz RYVBQGXBCBMJRF-CYBMUJFWSA-N -1 0 387.432 3.933 50 0 GHAARM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000000754827 570533692 /nfs/dbraw/zinc/53/36/92/570533692.db2.gz YXTLSHQCWVXBOH-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000001131063 570534683 /nfs/dbraw/zinc/53/46/83/570534683.db2.gz QVLXJLPOVGFCRS-OALUTQOASA-N -1 0 394.427 3.553 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)cc1OC ZINC000064844926 570564485 /nfs/dbraw/zinc/56/44/85/570564485.db2.gz XQTICKQYJUQDFP-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C)o2)s1 ZINC000064920064 570591117 /nfs/dbraw/zinc/59/11/17/570591117.db2.gz ZSVMJWIQNXRHBW-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000072312866 570649545 /nfs/dbraw/zinc/64/95/45/570649545.db2.gz ATOGDVXCPRHDMP-DHZHZOJOSA-N -1 0 385.363 3.692 50 0 GHAARM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000012412574 570656290 /nfs/dbraw/zinc/65/62/90/570656290.db2.gz UURBDVSUDZOERP-UHFFFAOYSA-N -1 0 398.893 3.698 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1 ZINC000006887702 570682664 /nfs/dbraw/zinc/68/26/64/570682664.db2.gz TZKFOCABMBIBIQ-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1F ZINC000242178835 570688710 /nfs/dbraw/zinc/68/87/10/570688710.db2.gz XBGRWZCDVNWENM-UHFFFAOYSA-N -1 0 391.798 3.540 50 0 GHAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1ccc(Br)cc1 ZINC000065153410 570716660 /nfs/dbraw/zinc/71/66/60/570716660.db2.gz FTGXFPZEJMWFFO-UHFFFAOYSA-N -1 0 385.264 3.966 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000058293323 570725051 /nfs/dbraw/zinc/72/50/51/570725051.db2.gz DEWRTAQRDGWXMQ-UHFFFAOYSA-N -1 0 378.837 3.573 50 0 GHAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(Br)c1)c3[O-] ZINC000200397741 570725068 /nfs/dbraw/zinc/72/50/68/570725068.db2.gz JHMMXENVPBKXMN-SNVBAGLBSA-N -1 0 399.244 3.839 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c(C)s1 ZINC000128934964 570725988 /nfs/dbraw/zinc/72/59/88/570725988.db2.gz UEJXKZRAZYCZAA-HNNXBMFYSA-N -1 0 377.491 3.894 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(OC)c(Cl)c2)c1=O ZINC000065215409 570733886 /nfs/dbraw/zinc/73/38/86/570733886.db2.gz UEEVVYDDJTYACA-UHFFFAOYSA-N -1 0 378.837 3.703 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 ZINC000065249998 570748861 /nfs/dbraw/zinc/74/88/61/570748861.db2.gz LWLJMGRTGIGJKL-UHFFFAOYSA-N -1 0 394.818 3.634 50 0 GHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc2c(c1)CCC2 ZINC000036612334 570756937 /nfs/dbraw/zinc/75/69/37/570756937.db2.gz ZKMRWIFLXLNFGU-AZUAARDMSA-N -1 0 385.485 3.551 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000169937024 570758448 /nfs/dbraw/zinc/75/84/48/570758448.db2.gz YQZVCBWSCVCOCB-UHFFFAOYSA-N -1 0 395.651 3.650 50 0 GHAARM CC(C)(C)c1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004426256 570760012 /nfs/dbraw/zinc/76/00/12/570760012.db2.gz IEVYXYUHJVJZDW-FQEVSTJZSA-N -1 0 394.471 3.656 50 0 biogenic GHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cccc(Cl)c1 ZINC000036624026 570767627 /nfs/dbraw/zinc/76/76/27/570767627.db2.gz AURFSVHFWJKDET-WBVHZDCISA-N -1 0 379.865 3.716 50 0 GHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cccc(Cl)c1 ZINC000036624022 570767645 /nfs/dbraw/zinc/76/76/45/570767645.db2.gz AURFSVHFWJKDET-RDJZCZTQSA-N -1 0 379.865 3.716 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000032776775 570799185 /nfs/dbraw/zinc/79/91/85/570799185.db2.gz ZJEFEKUENLNETC-IBGZPJMESA-N -1 0 398.484 3.902 50 0 GHAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000005910098 570803178 /nfs/dbraw/zinc/80/31/78/570803178.db2.gz FKZXHUBKDKUAEJ-UHFFFAOYSA-N -1 0 382.368 3.633 50 0 biogenic GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101418433 570822736 /nfs/dbraw/zinc/82/27/36/570822736.db2.gz YRINRQUYHAADQY-VQTJNVASSA-N -1 0 376.460 3.668 50 0 GHAARM CCCNC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c1=O ZINC000101833003 570836846 /nfs/dbraw/zinc/83/68/46/570836846.db2.gz RFQJCTCLSADLTJ-UHFFFAOYSA-N -1 0 388.468 3.608 50 0 GHAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184021389 570840117 /nfs/dbraw/zinc/84/01/17/570840117.db2.gz UNKUEXCIGUTRBS-GFCCVEGCSA-N -1 0 387.361 3.625 50 0 GHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccccc3C)cc2[n-]c1=S ZINC000012606719 570888804 /nfs/dbraw/zinc/88/88/04/570888804.db2.gz UCUMJJADUNZVDX-UHFFFAOYSA-N -1 0 383.473 3.656 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)s1 ZINC000013696328 570900084 /nfs/dbraw/zinc/90/00/84/570900084.db2.gz VYXJHNWZTBTNHX-UHFFFAOYSA-N -1 0 390.530 3.937 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1 ZINC000016099671 570910234 /nfs/dbraw/zinc/91/02/34/570910234.db2.gz IHAGTGJXQSJDRL-UHFFFAOYSA-N -1 0 390.205 3.731 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c1 ZINC000012042487 570957117 /nfs/dbraw/zinc/95/71/17/570957117.db2.gz WEXOHMVHCVBNEF-UHFFFAOYSA-N -1 0 384.409 3.732 50 0 GHAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000252511288 570981529 /nfs/dbraw/zinc/98/15/29/570981529.db2.gz ZWVJBQBVFZDGMK-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM CCCn1c(=O)sc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000046017509 571011853 /nfs/dbraw/zinc/01/18/53/571011853.db2.gz YTMOZWZQRXXTHB-UHFFFAOYSA-N -1 0 388.923 3.989 50 0 GHAARM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000563585299 597118581 /nfs/dbraw/zinc/11/85/81/597118581.db2.gz MDEKVDKRHDZOPU-OAHLLOKOSA-N -1 0 381.432 3.658 50 0 GHAARM COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)s2)cc1 ZINC000135983901 839389767 /nfs/dbraw/zinc/38/97/67/839389767.db2.gz WWWRYVULUYMHQU-UHFFFAOYSA-N -1 0 387.486 3.503 50 0 GHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCc1c[nH]c2ccccc12 ZINC000004090324 862774877 /nfs/dbraw/zinc/77/48/77/862774877.db2.gz GRYPOWRGNBRVGT-NRFANRHFSA-N -1 0 389.455 3.784 50 0 biogenic GHAARM Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)cc2=O)cc1 ZINC000530569162 856328502 /nfs/dbraw/zinc/32/85/02/856328502.db2.gz TXRFANKYHBBSDV-QGZVFWFLSA-N -1 0 375.350 3.507 50 0 GHAARM C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032147247 862825664 /nfs/dbraw/zinc/82/56/64/862825664.db2.gz FGVYIDJETXUNNR-PBHICJAKSA-N -1 0 392.546 3.786 50 0 GHAARM CC(C)C[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000009531377 857223854 /nfs/dbraw/zinc/22/38/54/857223854.db2.gz QPPVNMUFAGMVKR-HNNXBMFYSA-N -1 0 375.494 3.685 50 0 GHAARM Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000004317376 862957809 /nfs/dbraw/zinc/95/78/09/862957809.db2.gz HFIRCBIOEPFNOO-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM O=C([O-])CCc1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000007813871 883700030 /nfs/dbraw/zinc/70/00/30/883700030.db2.gz IKTFSQWPSKHEBL-UHFFFAOYSA-N -1 0 375.229 3.778 50 0 GHAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C#N)c1=O ZINC000005817264 890595110 /nfs/dbraw/zinc/59/51/10/890595110.db2.gz LECQULWBCZYJDR-UHFFFAOYSA-N -1 0 375.428 3.877 50 0 GHAARM Cc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n(C2CCOCC2)n1 ZINC000630133366 902429227 /nfs/dbraw/zinc/42/92/27/902429227.db2.gz FCRMOGAFFKBCHU-UHFFFAOYSA-N -1 0 385.445 3.708 50 0 GHAARM Cc1n[n-]c2nc3nc4c(c(-c5ccccc5)c3c(=O)n12)CCc1ccccc1-4 ZINC000017117749 210203742 /nfs/dbraw/zinc/20/37/42/210203742.db2.gz BKPDYWHJRMFCJR-UHFFFAOYSA-N -1 0 379.423 3.707 50 0 GHAARM CC[C@H](C(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1)c1ccccc1 ZINC000015861958 210174491 /nfs/dbraw/zinc/17/44/91/210174491.db2.gz VFLBKFVTXHRZKU-AWEZNQCLSA-N -1 0 389.502 3.800 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730495 210165190 /nfs/dbraw/zinc/16/51/90/210165190.db2.gz ROKYJAWJMAWAGU-LBPRGKRZSA-N -1 0 392.502 3.709 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000013690966 210080858 /nfs/dbraw/zinc/08/08/58/210080858.db2.gz ACPHKOSFTSAOOQ-UHFFFAOYSA-N -1 0 384.395 3.885 50 0 GHAARM COc1ccc(C(=O)[C@@H](Sc2nnc(C)c(=O)[n-]2)c2ccc(OC)cc2)cc1 ZINC000013598109 210070549 /nfs/dbraw/zinc/07/05/49/210070549.db2.gz OPGXGCXGAUCDNN-SFHVURJKSA-N -1 0 397.456 3.619 50 0 GHAARM O=C([O-])c1ccc(F)c(S(=O)(=O)Oc2ccccc2Cc2ccccc2)c1 ZINC000013093614 210049932 /nfs/dbraw/zinc/04/99/32/210049932.db2.gz LMBIWJNHSMMFGM-UHFFFAOYSA-N -1 0 386.400 3.882 50 0 GHAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036066077 209821557 /nfs/dbraw/zinc/82/15/57/209821557.db2.gz PWIDUHAKVSKNCP-ZUZCIYMTSA-N -1 0 378.448 3.904 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1 ZINC000004173409 209469405 /nfs/dbraw/zinc/46/94/05/209469405.db2.gz YAJNXKXTKWEJPZ-SFHVURJKSA-N -1 0 386.835 3.891 50 0 GHAARM CCCCCOC(=O)c1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000003183854 209414519 /nfs/dbraw/zinc/41/45/19/209414519.db2.gz CBTOMJAZRHDUIN-UHFFFAOYSA-N -1 0 381.384 3.532 50 0 GHAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000002890061 209395757 /nfs/dbraw/zinc/39/57/57/209395757.db2.gz JNIRKPVNIDXDDX-GFCCVEGCSA-N -1 0 397.239 3.511 50 0 GHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCCCC1 ZINC000001118536 209302921 /nfs/dbraw/zinc/30/29/21/209302921.db2.gz JYOYEEFGDGQRRT-UHFFFAOYSA-N -1 0 395.484 3.662 50 0 GHAARM O=C(COc1ccccc1)NC([N-]c1nccs1)(C(F)(F)F)C(F)(F)F ZINC000000978342 209285394 /nfs/dbraw/zinc/28/53/94/209285394.db2.gz XHVIIDLJYIXORY-UHFFFAOYSA-N -1 0 399.316 3.571 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)no1 ZINC000000945100 209282634 /nfs/dbraw/zinc/28/26/34/209282634.db2.gz MLAFPPOVWZBCJQ-UHFFFAOYSA-N -1 0 397.865 3.751 50 0 GHAARM Cc1cc(-c2ccc(OCC(=O)[O-])c(CN3CCOCC3)c2)c2ccccc2n1 ZINC000299765620 212033011 /nfs/dbraw/zinc/03/30/11/212033011.db2.gz INCGDKQIKMUMAF-UHFFFAOYSA-N -1 0 392.455 3.506 50 0 GHAARM Cc1c(NC(=S)NC(=O)c2ccccc2Br)cccc1C(=O)[O-] ZINC000001160325 211609300 /nfs/dbraw/zinc/60/93/00/211609300.db2.gz VJSZKFXOHSDWIB-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM Cc1nc(COc2cccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2)cs1 ZINC000237761947 211474639 /nfs/dbraw/zinc/47/46/39/211474639.db2.gz PMBRDWUECMNXCG-QGZVFWFLSA-N -1 0 388.489 3.890 50 0 GHAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000100760873 211391115 /nfs/dbraw/zinc/39/11/15/211391115.db2.gz RKWRAWFCIUDGHY-UHFFFAOYSA-N -1 0 391.814 3.997 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c(Br)c1 ZINC000100602440 211388864 /nfs/dbraw/zinc/38/88/64/211388864.db2.gz UHNKXOAQUWGDBA-UHFFFAOYSA-N -1 0 387.233 3.567 50 0 GHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)cc1 ZINC000097228809 211362994 /nfs/dbraw/zinc/36/29/94/211362994.db2.gz OPAORGYTIXAMMS-UHFFFAOYSA-N -1 0 384.335 3.850 50 0 GHAARM O=C([O-])/C=C\c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 ZINC000096936627 211353579 /nfs/dbraw/zinc/35/35/79/211353579.db2.gz SKRAXJSDBBRRMM-YFHOEESVSA-N -1 0 381.819 3.935 50 0 GHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000095948413 211286560 /nfs/dbraw/zinc/28/65/60/211286560.db2.gz IMKYRSFAAFNBGG-UHFFFAOYSA-N -1 0 391.449 3.573 50 0 GHAARM COc1ccc(NC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(OC)c1 ZINC000095364121 211225225 /nfs/dbraw/zinc/22/52/25/211225225.db2.gz LJGORQXIDPSYFR-MRXNPFEDSA-N -1 0 384.432 3.814 50 0 GHAARM O=C([O-])c1cc2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc2s1 ZINC000095349836 211219765 /nfs/dbraw/zinc/21/97/65/211219765.db2.gz QGPVWEXAGSFXNK-UHFFFAOYSA-N -1 0 385.401 3.948 50 0 GHAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(Br)cc1Cl ZINC000072301880 211087269 /nfs/dbraw/zinc/08/72/69/211087269.db2.gz YWOMTYGIHIIPDY-UHFFFAOYSA-N -1 0 386.658 3.780 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCN(C(=O)c3cnc(Nc4ccccc4)nc3)C2)cc1 ZINC000072169928 211079914 /nfs/dbraw/zinc/07/99/14/211079914.db2.gz PRPATLFDMCVJSB-QGZVFWFLSA-N -1 0 388.427 3.548 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2cc(N3CCOC3=O)ccc2F)CCCCCC1 ZINC000071825414 211065078 /nfs/dbraw/zinc/06/50/78/211065078.db2.gz RIJLZDUOHCVQJT-UHFFFAOYSA-N -1 0 378.400 3.536 50 0 GHAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)c1 ZINC000071945500 211064808 /nfs/dbraw/zinc/06/48/08/211064808.db2.gz DPBXFMCBODVAKD-UHFFFAOYSA-N -1 0 397.378 3.706 50 0 GHAARM O=C([O-])CC1(CC(=O)Nc2cc(N3CCOC3=O)ccc2F)CCCCC1 ZINC000067456214 211010069 /nfs/dbraw/zinc/01/00/69/211010069.db2.gz VUCRTOFCCLEQJI-UHFFFAOYSA-N -1 0 378.400 3.536 50 0 GHAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1 ZINC000066087846 211000172 /nfs/dbraw/zinc/00/01/72/211000172.db2.gz HODZCLPEWUWACM-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(OCc2cscn2)c1 ZINC000299751222 210835361 /nfs/dbraw/zinc/83/53/61/210835361.db2.gz PYVOMVGLIQXJGW-XWIAVFTESA-N -1 0 386.473 3.580 50 0 GHAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)o2)n[nH]1 ZINC000021886631 210398693 /nfs/dbraw/zinc/39/86/93/210398693.db2.gz PJKRONNDROZETI-UHFFFAOYSA-N -1 0 396.266 3.850 50 0 GHAARM CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000236749250 519130252 /nfs/dbraw/zinc/13/02/52/519130252.db2.gz LZASUPCVAHAHOO-CQSZACIVSA-N -1 0 385.464 3.751 50 0 GHAARM COc1cc(Cl)c(C)cc1NC(=O)Cn1[n-]c(-c2ccc(F)cc2)cc1=O ZINC000049006607 570258052 /nfs/dbraw/zinc/25/80/52/570258052.db2.gz KIXRJLHUTJDASV-UHFFFAOYSA-N -1 0 389.814 3.592 50 0 GHAARM COc1cc(C(=O)[O-])ccc1-c1cccc(C(=O)N2CCC(F)(F)CC2)c1 ZINC000584902174 570271484 /nfs/dbraw/zinc/27/14/84/570271484.db2.gz NXEJRJGEOOFZJE-UHFFFAOYSA-N -1 0 375.371 3.932 50 0 GHAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006146457 570276908 /nfs/dbraw/zinc/27/69/08/570276908.db2.gz VEKAFAWIFQTLFU-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM O=C(NCC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146898 570277119 /nfs/dbraw/zinc/27/71/19/570277119.db2.gz CGWZDCRRTKTBJD-UHFFFAOYSA-N -1 0 390.480 3.937 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)c(Cl)c1 ZINC000023042535 570341187 /nfs/dbraw/zinc/34/11/87/570341187.db2.gz QYHIWPDJUGUZFJ-UHFFFAOYSA-N -1 0 394.909 3.729 50 0 GHAARM O=C(Nc1ccccc1O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000023055318 570342478 /nfs/dbraw/zinc/34/24/78/570342478.db2.gz MPVOVIYCDQJYLF-UHFFFAOYSA-N -1 0 386.404 3.584 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000004014656 570354467 /nfs/dbraw/zinc/35/44/67/570354467.db2.gz WEMGRDZTNWEDPP-OAHLLOKOSA-N -1 0 378.222 3.891 50 0 GHAARM Cc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004622115 570388369 /nfs/dbraw/zinc/38/83/69/570388369.db2.gz UGTCRSIZDNMJQJ-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000004628337 570388745 /nfs/dbraw/zinc/38/87/45/570388745.db2.gz OZWTZZHRAGQRGB-DHMWGJHJSA-N -1 0 391.489 3.646 50 0 GHAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(N)=O)C1 ZINC000004646612 570389042 /nfs/dbraw/zinc/38/90/42/570389042.db2.gz DRIAAKRDZOIYFB-NSHDSACASA-N -1 0 380.510 3.582 50 0 GHAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1C ZINC000004691431 570393656 /nfs/dbraw/zinc/39/36/56/570393656.db2.gz YIWYGWZGVVYYNN-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000005033190 570401653 /nfs/dbraw/zinc/40/16/53/570401653.db2.gz NRRGGSDBZMDZCQ-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000004845468 570411713 /nfs/dbraw/zinc/41/17/13/570411713.db2.gz LMIUQDDKJGSBPI-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)s1 ZINC000005099675 570416621 /nfs/dbraw/zinc/41/66/21/570416621.db2.gz VODFODZHYMZWLF-UHFFFAOYSA-N -1 0 378.519 3.793 50 0 GHAARM O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000005099602 570416879 /nfs/dbraw/zinc/41/68/79/570416879.db2.gz FCIGWHAAHQIDME-UHFFFAOYSA-N -1 0 388.470 3.735 50 0 GHAARM O=C([O-])C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F ZINC000521394233 570417615 /nfs/dbraw/zinc/41/76/15/570417615.db2.gz HLWYGQIIVSTAGK-GFCCVEGCSA-N -1 0 375.371 3.881 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000237973086 570417941 /nfs/dbraw/zinc/41/79/41/570417941.db2.gz SKSXVSIGVYFPHK-ZDUSSCGKSA-N -1 0 395.381 3.608 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(OCc2cscn2)c1 ZINC000237985752 570418418 /nfs/dbraw/zinc/41/84/18/570418418.db2.gz PYVOMVGLIQXJGW-KKXDTOCCSA-N -1 0 386.473 3.580 50 0 GHAARM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000064323942 570425483 /nfs/dbraw/zinc/42/54/83/570425483.db2.gz XJRMGNNOFHLKGD-SFHVURJKSA-N -1 0 385.533 3.713 50 0 GHAARM CCOc1ccc2[nH]c(SCC(=O)Nc3cc(C(=O)[O-])ccc3C)nc2c1 ZINC000005799668 570457412 /nfs/dbraw/zinc/45/74/12/570457412.db2.gz SRPBBDYRZNUGHH-UHFFFAOYSA-N -1 0 385.445 3.699 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000120234086 570476574 /nfs/dbraw/zinc/47/65/74/570476574.db2.gz OAZSYKPSAZQETG-YJBOKZPZSA-N -1 0 386.835 3.505 50 0 GHAARM CC(C)Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[nH]2)s1 ZINC000061718708 570501743 /nfs/dbraw/zinc/50/17/43/570501743.db2.gz PVQWHDGVYWALLM-UHFFFAOYSA-N -1 0 384.461 3.669 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000008715490 570537873 /nfs/dbraw/zinc/53/78/73/570537873.db2.gz BUWUHSQEGNVXRW-UHFFFAOYSA-N -1 0 382.441 3.629 50 0 GHAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000008738162 570538361 /nfs/dbraw/zinc/53/83/61/570538361.db2.gz MBZXSYCFSXPYGM-AEFFLSMTSA-N -1 0 381.432 3.525 50 0 GHAARM COc1cccc(-c2nc(C(=O)N[C@H](C)C(=O)[O-])cc3c4ccccc4[nH]c32)c1 ZINC000061999367 570554313 /nfs/dbraw/zinc/55/43/13/570554313.db2.gz OGISDZAPNRRFBO-GFCCVEGCSA-N -1 0 389.411 3.595 50 0 biogenic GHAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c1 ZINC000011613735 570576617 /nfs/dbraw/zinc/57/66/17/570576617.db2.gz ZSGUGEYHQIHLDX-UHFFFAOYSA-N -1 0 385.869 3.729 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c(Cl)cc21 ZINC000006779711 570587644 /nfs/dbraw/zinc/58/76/44/570587644.db2.gz ZLINLKRPKSMAMZ-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM O=C(CCc1cccs1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006800795 570603135 /nfs/dbraw/zinc/60/31/35/570603135.db2.gz ZSQFBJHJENAJIF-UHFFFAOYSA-N -1 0 393.515 3.577 50 0 GHAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(C)cc3)C2)c1 ZINC000225848420 570626213 /nfs/dbraw/zinc/62/62/13/570626213.db2.gz PMKGFSSHMWEECW-LJQANCHMSA-N -1 0 396.443 3.555 50 0 GHAARM O=C([O-])c1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1 ZINC000001216922 570714166 /nfs/dbraw/zinc/71/41/66/570714166.db2.gz NUOPVAKMNWWESQ-UHFFFAOYSA-N -1 0 384.613 3.818 50 0 GHAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/NC(=O)C(C)(C)C)C(=O)[O-] ZINC000058179760 570716965 /nfs/dbraw/zinc/71/69/65/570716965.db2.gz DWDBYIWGRYTBCB-OQLLNIDSSA-N -1 0 393.846 3.620 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2ccccc2Cl)C1 ZINC000101340696 570723755 /nfs/dbraw/zinc/72/37/55/570723755.db2.gz KVOOSSSUYRQWAJ-QGZVFWFLSA-N -1 0 394.818 3.772 50 0 GHAARM O=S(=O)([N-]c1cccnc1-n1cncn1)c1ccc(C2CCCCC2)cc1 ZINC000058438905 570733483 /nfs/dbraw/zinc/73/34/83/570733483.db2.gz PGWYRXXWTJBPEQ-UHFFFAOYSA-N -1 0 383.477 3.511 50 0 GHAARM CCN1C[C@H](Cn2cnc(-c3ccccc3)c2-c2ccccc2C(=O)[O-])CC1=O ZINC000065403240 570766245 /nfs/dbraw/zinc/76/62/45/570766245.db2.gz YTPZKXBOHHRCNH-MRXNPFEDSA-N -1 0 389.455 3.784 50 0 GHAARM Cc1ccc(Nc2nc([O-])c(Cc3n[nH]c(CCc4ccccc4)n3)s2)cc1 ZINC000065530197 570772321 /nfs/dbraw/zinc/77/23/21/570772321.db2.gz XDKVGVZRXZHLTC-KRWDZBQOSA-N -1 0 391.500 3.551 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000007055917 570775064 /nfs/dbraw/zinc/77/50/64/570775064.db2.gz XCADFHPVPRDKKO-UHFFFAOYSA-N -1 0 375.418 3.819 50 0 GHAARM COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032778595 570811322 /nfs/dbraw/zinc/81/13/22/570811322.db2.gz YXMIUGGYWDLWSK-UHFFFAOYSA-N -1 0 396.472 3.600 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2ccccc2)CC1 ZINC000012526271 570831367 /nfs/dbraw/zinc/83/13/67/570831367.db2.gz ALKRCKLFPRFVJI-UHFFFAOYSA-N -1 0 399.497 3.614 50 0 GHAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1)C1CC1 ZINC000012541777 570842941 /nfs/dbraw/zinc/84/29/41/570842941.db2.gz WRIYBFFTSRPOMN-UHFFFAOYSA-N -1 0 395.278 3.598 50 0 GHAARM COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000042792748 570893402 /nfs/dbraw/zinc/89/34/02/570893402.db2.gz WAMKQZXAMPIYAY-UHFFFAOYSA-N -1 0 389.351 3.521 50 0 GHAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])occ3C(C)(C)C ZINC000002124731 570958093 /nfs/dbraw/zinc/95/80/93/570958093.db2.gz QVHIHKXQHZRFIE-UHFFFAOYSA-N -1 0 399.443 3.669 50 0 biogenic GHAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000007726740 571024553 /nfs/dbraw/zinc/02/45/53/571024553.db2.gz FNTKJIYYAZARLZ-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM O=C(COc1ccc(Cl)cc1C1CCCCC1)/N=c1\[n-]nc2ccccn21 ZINC000084606647 571026527 /nfs/dbraw/zinc/02/65/27/571026527.db2.gz OASSSGOWPJLSRR-UHFFFAOYSA-N -1 0 384.867 3.870 50 0 GHAARM CCOc1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1OCC(=O)[O-] ZINC000299742072 599901298 /nfs/dbraw/zinc/90/12/98/599901298.db2.gz GRXFUDHTKODJEW-UHFFFAOYSA-N -1 0 383.444 3.569 50 0 GHAARM COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000299749281 600060777 /nfs/dbraw/zinc/06/07/77/600060777.db2.gz JUPKYJCRUKKSRM-GOSISDBHSA-N -1 0 383.444 3.698 50 0 GHAARM Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000237637699 600966439 /nfs/dbraw/zinc/96/64/39/600966439.db2.gz ZQXFNJUAMPDTDQ-KRWDZBQOSA-N -1 0 398.503 3.810 50 0 GHAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(CC4CCCC4)o3)cc(Cl)c2O1 ZINC000194899447 836326944 /nfs/dbraw/zinc/32/69/44/836326944.db2.gz IEZXQNMJNOCVAF-JTQLQIEISA-N -1 0 397.884 3.580 50 0 GHAARM NC(=O)c1sc2ccccc2c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000078900021 837370000 /nfs/dbraw/zinc/37/00/00/837370000.db2.gz QGNOEQDTCPVIOJ-UHFFFAOYSA-N -1 0 386.498 3.680 50 0 GHAARM CCSc1nnc(NC(=O)c2csc([N-]c3nc(C)cc(C)n3)n2)s1 ZINC000056907638 861836459 /nfs/dbraw/zinc/83/64/59/861836459.db2.gz JDAUFSWTPZWMPQ-UHFFFAOYSA-N -1 0 393.523 3.509 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000003266719 862294082 /nfs/dbraw/zinc/29/40/82/862294082.db2.gz IKMMONHYRZMTRD-UHFFFAOYSA-N -1 0 388.489 3.512 50 0 GHAARM COc1ccc(OC)c(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000002312626 855198955 /nfs/dbraw/zinc/19/89/55/855198955.db2.gz KLPSJCBFSQVGJG-ZDUSSCGKSA-N -1 0 377.824 3.629 50 0 GHAARM C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032147252 862824984 /nfs/dbraw/zinc/82/49/84/862824984.db2.gz FGVYIDJETXUNNR-YOEHRIQHSA-N -1 0 392.546 3.786 50 0 GHAARM C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032147259 862825778 /nfs/dbraw/zinc/82/57/78/862825778.db2.gz FGVYIDJETXUNNR-RHSMWYFYSA-N -1 0 392.546 3.786 50 0 GHAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2F)cc1 ZINC000040288112 856726053 /nfs/dbraw/zinc/72/60/53/856726053.db2.gz CVASUAOHIAUWID-SFHVURJKSA-N -1 0 398.369 3.566 50 0 GHAARM O=C([O-])c1cccnc1SCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004247229 862901495 /nfs/dbraw/zinc/90/14/95/862901495.db2.gz WGSCDRLDDCROHP-UHFFFAOYSA-N -1 0 392.436 3.711 50 0 GHAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000002432622 859061041 /nfs/dbraw/zinc/06/10/41/859061041.db2.gz PBQSCEQFVASBQP-UHFFFAOYSA-N -1 0 394.452 3.982 50 0 GHAARM O=C1C[C@H](c2ccco2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115523 860786891 /nfs/dbraw/zinc/78/68/91/860786891.db2.gz HRRFAKFSTOZHRZ-CYBMUJFWSA-N -1 0 390.347 3.905 50 0 biogenic GHAARM COc1ccc([C@@H](CC(=O)Nc2cccc(C)c2)[N-]C(=O)C(F)(F)F)cc1 ZINC000096562294 860983959 /nfs/dbraw/zinc/98/39/59/860983959.db2.gz YJBUZHJYLNEZAN-MRXNPFEDSA-N -1 0 380.366 3.752 50 0 GHAARM O=S(=O)([N-]c1n[nH]c2ccc(C(F)(F)F)cc21)c1cnc(C2CC2)s1 ZINC000828392480 865275297 /nfs/dbraw/zinc/27/52/97/865275297.db2.gz BCVJBGJXYRVJGZ-UHFFFAOYSA-N -1 0 388.396 3.716 50 0 GHAARM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191536274 885335069 /nfs/dbraw/zinc/33/50/69/885335069.db2.gz QEDRDNLFTQLLJB-AWEZNQCLSA-N -1 0 383.398 3.876 50 0 GHAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000263173371 892461216 /nfs/dbraw/zinc/46/12/16/892461216.db2.gz SJFFELKJEPFMLH-GOEBONIOSA-N -1 0 381.432 3.513 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081493 210205195 /nfs/dbraw/zinc/20/51/95/210205195.db2.gz QIFFDJXSMDUZDZ-HUUCEWRRSA-N -1 0 398.484 3.736 50 0 GHAARM CCc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000015826867 210172571 /nfs/dbraw/zinc/17/25/71/210172571.db2.gz DJNFBKDGYDOMKJ-AWEZNQCLSA-N -1 0 385.489 3.626 50 0 GHAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(C)c1)CC2 ZINC000015781956 210169283 /nfs/dbraw/zinc/16/92/83/210169283.db2.gz GFKGZCKDOHZKTQ-GOSISDBHSA-N -1 0 398.459 3.927 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730519 210165750 /nfs/dbraw/zinc/16/57/50/210165750.db2.gz BTYFGBUYQGXDHA-LBPRGKRZSA-N -1 0 392.502 3.627 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cc1C ZINC000015671378 210159906 /nfs/dbraw/zinc/15/99/06/210159906.db2.gz FOCINLNYOGLJIZ-UHFFFAOYSA-N -1 0 390.896 3.706 50 0 GHAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000013040617 210049553 /nfs/dbraw/zinc/04/95/53/210049553.db2.gz LSCIRGTYNKOTGP-UHFFFAOYSA-N -1 0 376.459 3.582 50 0 GHAARM Cc1ccc(-c2nnc(Cn3c4ccccc4nc3SCC(=O)[O-])o2)cc1 ZINC000009925732 209850842 /nfs/dbraw/zinc/85/08/42/209850842.db2.gz MCPJGATYPULKND-UHFFFAOYSA-N -1 0 380.429 3.620 50 0 GHAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)c(Cl)cc1Cl ZINC000005582552 209603598 /nfs/dbraw/zinc/60/35/98/209603598.db2.gz HUJLDVJPZGCZDX-UHFFFAOYSA-N -1 0 390.244 3.589 50 0 GHAARM O=C(CCC1CCCCC1)N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005209604 209580280 /nfs/dbraw/zinc/58/02/80/209580280.db2.gz SJIIOKTZDCLSAH-GOSISDBHSA-N -1 0 394.397 3.837 50 0 GHAARM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-] ZINC000002836793 209389273 /nfs/dbraw/zinc/38/92/73/209389273.db2.gz JWYBBWKLYVIXSC-ZDUSSCGKSA-N -1 0 385.416 3.841 50 0 GHAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002103936 209347012 /nfs/dbraw/zinc/34/70/12/209347012.db2.gz IAIBVCIXXTYFKN-QGZVFWFLSA-N -1 0 399.443 3.685 50 0 biogenic GHAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000001141982 209305449 /nfs/dbraw/zinc/30/54/49/209305449.db2.gz BWBFUCPMXHJMIZ-RTBURBONSA-N -1 0 392.455 3.782 50 0 GHAARM CCOC(=O)c1c([S-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001034583 209291062 /nfs/dbraw/zinc/29/10/62/209291062.db2.gz FYEYJIQXALRCJX-UHFFFAOYSA-N -1 0 384.482 3.823 50 0 GHAARM CC(C)Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccco1 ZINC000009566896 209278269 /nfs/dbraw/zinc/27/82/69/209278269.db2.gz BFZSOUGMNBZSFV-UHFFFAOYSA-N -1 0 387.490 3.784 50 0 GHAARM O=C([O-])[C@@H](Cc1ccco1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000643273 209254100 /nfs/dbraw/zinc/25/41/00/209254100.db2.gz AJXDCHXGNUFBRC-HXUWFJFHSA-N -1 0 377.396 3.814 50 0 GHAARM O=C([O-])CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000006283345 212069225 /nfs/dbraw/zinc/06/92/25/212069225.db2.gz JZZXOBTUKNMQJI-UHFFFAOYSA-N -1 0 386.498 3.893 50 0 GHAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc5c(cc43)OCO5)o2)cc1 ZINC000217903159 211755468 /nfs/dbraw/zinc/75/54/68/211755468.db2.gz BLZLQUXKOYWRBE-CQSZACIVSA-N -1 0 378.336 3.815 50 0 biogenic GHAARM CCCC[C@@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624234 211579599 /nfs/dbraw/zinc/57/95/99/211579599.db2.gz RNKDIXHHQDECEJ-OAHLLOKOSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4c(C)cc(C)cc4C)c=3c2=O)cc1 ZINC000101418431 211401292 /nfs/dbraw/zinc/40/12/92/211401292.db2.gz YRINRQUYHAADQY-PMACEKPBSA-N -1 0 376.460 3.668 50 0 GHAARM O=c1oc(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc2ccccc12 ZINC000100384298 211386882 /nfs/dbraw/zinc/38/68/82/211386882.db2.gz ZKFSJQDHHGMGOY-UHFFFAOYSA-N -1 0 396.399 3.795 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc(OC)c1 ZINC000096323456 211334274 /nfs/dbraw/zinc/33/42/74/211334274.db2.gz HRCLTZIAHNLICT-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1-c1nnc(C2CC2)o1 ZINC000096379657 211338732 /nfs/dbraw/zinc/33/87/32/211338732.db2.gz ZJSOUHQAAGRXPG-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3ccc4nn(-c5ccccc5)nc4c32)cc1 ZINC000096117452 211302067 /nfs/dbraw/zinc/30/20/67/211302067.db2.gz QAUXDYLAKNSRJP-MRXNPFEDSA-N -1 0 384.395 3.593 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)cc1 ZINC000095358590 211223350 /nfs/dbraw/zinc/22/33/50/211223350.db2.gz DQEIMAASSPZBCW-LJQANCHMSA-N -1 0 375.428 3.795 50 0 GHAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000095361307 211224464 /nfs/dbraw/zinc/22/44/64/211224464.db2.gz RKFZQHIXMSXBCY-MRXNPFEDSA-N -1 0 395.434 3.739 50 0 GHAARM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccc(C)s3)[nH]n2)c1 ZINC000079065752 211154659 /nfs/dbraw/zinc/15/46/59/211154659.db2.gz HMBVBCOTMVULNH-UHFFFAOYSA-N -1 0 383.882 3.909 50 0 GHAARM Cc1ccc(-c2ccc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)o2)cc1 ZINC000072419307 211116611 /nfs/dbraw/zinc/11/66/11/211116611.db2.gz DGBBMSMTTXTPKK-UHFFFAOYSA-N -1 0 379.460 3.875 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2cccc(-n3nc(C)cc3C)c2)sc1C(C)C ZINC000072403370 211112057 /nfs/dbraw/zinc/11/20/57/211112057.db2.gz RHMMTNPURIMFGR-UHFFFAOYSA-N -1 0 398.488 3.530 50 0 GHAARM O=C([O-])C1(CCOc2ccccc2)CCN(c2cnc3ccccc3n2)CC1 ZINC000071751689 211056861 /nfs/dbraw/zinc/05/68/61/211056861.db2.gz BNTONJJKEMGSQX-UHFFFAOYSA-N -1 0 377.444 3.770 50 0 GHAARM Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)cc2)cn1C ZINC000033169141 210629316 /nfs/dbraw/zinc/62/93/16/210629316.db2.gz MYGAXMNQLQNHGF-UHFFFAOYSA-N -1 0 384.486 3.806 50 0 GHAARM Cc1c(Cl)cccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019880949 210305430 /nfs/dbraw/zinc/30/54/30/210305430.db2.gz JITBZEXMPJKBOA-OAHLLOKOSA-N -1 0 375.833 3.771 50 0 GHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)C4CCC4)c(C(=O)[O-])c3)CC2)c1 ZINC000064590382 136157207 /nfs/dbraw/zinc/15/72/07/136157207.db2.gz XRZAZJSDJNQNDN-UHFFFAOYSA-N -1 0 393.487 3.758 50 0 GHAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185097 136202750 /nfs/dbraw/zinc/20/27/50/136202750.db2.gz QTDAMFATORMQAT-VGSWGCGISA-N -1 0 393.418 3.850 50 0 GHAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccncc1 ZINC000022622251 518183095 /nfs/dbraw/zinc/18/30/95/518183095.db2.gz JFLJUDJBRZJDFR-AWEZNQCLSA-N -1 0 399.447 3.513 50 0 GHAARM CCC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC000064589904 535332973 /nfs/dbraw/zinc/33/29/73/535332973.db2.gz HHKPSVKCUXKLNX-UHFFFAOYSA-N -1 0 387.867 3.713 50 0 GHAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc21 ZINC000096399804 535431008 /nfs/dbraw/zinc/43/10/08/535431008.db2.gz NMKGNXPKKPVENO-UHFFFAOYSA-N -1 0 378.881 3.748 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)c1 ZINC000011615560 570236070 /nfs/dbraw/zinc/23/60/70/570236070.db2.gz DAIAYUZQKIHLID-UHFFFAOYSA-N -1 0 384.866 3.768 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 ZINC000022618490 570323548 /nfs/dbraw/zinc/32/35/48/570323548.db2.gz GHJLOJRYCDVPNW-UHFFFAOYSA-N -1 0 378.881 3.767 50 0 GHAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000237270437 570342171 /nfs/dbraw/zinc/34/21/71/570342171.db2.gz UXESYOQQGORWCD-UHFFFAOYSA-N -1 0 387.863 3.745 50 0 GHAARM COc1ccc(Oc2cccc(Cl)c2CNC(=O)CSCC(=O)[O-])cc1 ZINC000004325133 570368257 /nfs/dbraw/zinc/36/82/57/570368257.db2.gz ODOPZFUCLKIIEF-UHFFFAOYSA-N -1 0 395.864 3.575 50 0 GHAARM CN(CC(=O)Nc1cccc2ccccc21)Cc1nc(=O)c2sccc2[n-]1 ZINC000024001983 570376953 /nfs/dbraw/zinc/37/69/53/570376953.db2.gz UOOJIYAAPNKBQI-UHFFFAOYSA-N -1 0 378.457 3.621 50 0 GHAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000006404301 570403504 /nfs/dbraw/zinc/40/35/04/570403504.db2.gz KDPJEIXAUQRUKO-UHFFFAOYSA-N -1 0 376.453 3.561 50 0 GHAARM Cc1ccc(C(=O)Nc2c(N)nc(SCc3cccc(C)c3)[n-]c2=O)cc1 ZINC000005081786 570414250 /nfs/dbraw/zinc/41/42/50/570414250.db2.gz PTJOLCVBMCBLIL-UHFFFAOYSA-N -1 0 380.473 3.514 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000238029801 570420739 /nfs/dbraw/zinc/42/07/39/570420739.db2.gz YCOVVOFPQUUFIH-KRWDZBQOSA-N -1 0 378.428 3.865 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000005127425 570422002 /nfs/dbraw/zinc/42/20/02/570422002.db2.gz XHEKOUWCXUFASW-ZIAGYGMSSA-N -1 0 386.473 3.652 50 0 GHAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(Br)cc1 ZINC000000819035 570485026 /nfs/dbraw/zinc/48/50/26/570485026.db2.gz QBUDEWVBCXLTHP-NWDGAFQWSA-N -1 0 388.283 3.885 50 0 GHAARM O=C([O-])COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000008215220 570524460 /nfs/dbraw/zinc/52/44/60/570524460.db2.gz BPDDYJIWLJYZEY-UHFFFAOYSA-N -1 0 396.424 3.716 50 0 GHAARM O=C([O-])[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NCc1ccco1 ZINC000005257993 570527623 /nfs/dbraw/zinc/52/76/23/570527623.db2.gz JUFREVLYXHOVNK-IBGZPJMESA-N -1 0 379.416 3.595 50 0 GHAARM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000022016111 570537875 /nfs/dbraw/zinc/53/78/75/570537875.db2.gz MWLUNSCYMDRRKV-UHFFFAOYSA-N -1 0 393.386 3.906 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC ZINC000064837440 570558872 /nfs/dbraw/zinc/55/88/72/570558872.db2.gz QJXGOABVFOATSF-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000036748160 570569672 /nfs/dbraw/zinc/56/96/72/570569672.db2.gz LKMBNMYBFYNDKV-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM Cc1ccnc([N-]S(=O)(=O)c2cccc3cncc(Br)c32)c1 ZINC000225744079 570612378 /nfs/dbraw/zinc/61/23/78/570612378.db2.gz COHXOCWQCFHDAW-UHFFFAOYSA-N -1 0 378.251 3.502 50 0 GHAARM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3F)cc2C)s1 ZINC000033007793 570620986 /nfs/dbraw/zinc/62/09/86/570620986.db2.gz CMKMHXASCKUHNF-UHFFFAOYSA-N -1 0 379.438 3.503 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1OC(F)F ZINC000058108992 570709330 /nfs/dbraw/zinc/70/93/30/570709330.db2.gz JDFHJRFGVGFSAC-UHFFFAOYSA-N -1 0 399.202 3.799 50 0 GHAARM COc1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCCC4)c1 ZINC000065150565 570711556 /nfs/dbraw/zinc/71/15/56/570711556.db2.gz JGGJLFQSYHLTAH-UHFFFAOYSA-N -1 0 384.457 3.825 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2c(CC)nc3sc(C(C)C)nn32)cc1 ZINC000065183992 570722607 /nfs/dbraw/zinc/72/26/07/570722607.db2.gz IKCRCINDEXCGMT-UHFFFAOYSA-N -1 0 394.522 3.676 50 0 GHAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)c1 ZINC000065183516 570722615 /nfs/dbraw/zinc/72/26/15/570722615.db2.gz XPDCZDBXVWEVCR-UHFFFAOYSA-N -1 0 377.491 3.831 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2CC)o1 ZINC000065186592 570724847 /nfs/dbraw/zinc/72/48/47/570724847.db2.gz RETMPCVHVQHVHV-UHFFFAOYSA-N -1 0 392.456 3.677 50 0 GHAARM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000058358132 570728785 /nfs/dbraw/zinc/72/87/85/570728785.db2.gz VLRDPLKPIJDYRK-UHFFFAOYSA-N -1 0 392.433 3.537 50 0 GHAARM CCCOc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(N)=O)ccc2c1 ZINC000252493097 570728759 /nfs/dbraw/zinc/72/87/59/570728759.db2.gz MZGZTOKEWMHNCL-UHFFFAOYSA-N -1 0 384.457 3.528 50 0 GHAARM CCOc1cc(C(=O)[O-])c(NC(=O)c2ccccc2OC(F)F)cc1OC ZINC000007002323 570737337 /nfs/dbraw/zinc/73/73/37/570737337.db2.gz ZJAYEJHWLNWDEK-UHFFFAOYSA-N -1 0 381.331 3.646 50 0 GHAARM O=C(COc1ccc(Cl)cc1Cl)Nc1c(=O)[nH]c2ccccc2c1[O-] ZINC000036614887 570750841 /nfs/dbraw/zinc/75/08/41/570750841.db2.gz VDINTBFJVMKKTP-UHFFFAOYSA-N -1 0 379.199 3.558 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCCCC1 ZINC000032771990 570805464 /nfs/dbraw/zinc/80/54/64/570805464.db2.gz FVLPZJOVQWWCOD-UHFFFAOYSA-N -1 0 378.856 3.831 50 0 GHAARM CCc1ccc(-c2c(C)sc(NC(=O)CCC(=O)[O-])c2C(=O)OC)cc1 ZINC000005954399 570808665 /nfs/dbraw/zinc/80/86/65/570808665.db2.gz UIQTZOKMWHKKNR-UHFFFAOYSA-N -1 0 375.446 3.876 50 0 GHAARM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1ccc(F)c(F)c1F ZINC000036760489 570810119 /nfs/dbraw/zinc/81/01/19/570810119.db2.gz VICVVBNDAXFPLC-UHFFFAOYSA-N -1 0 394.374 3.879 50 0 GHAARM COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000012792024 570814159 /nfs/dbraw/zinc/81/41/59/570814159.db2.gz XBMOKVIMQQJBJC-UHFFFAOYSA-N -1 0 376.217 3.501 50 0 GHAARM CCN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012488321 570821831 /nfs/dbraw/zinc/82/18/31/570821831.db2.gz KSBQVNFVPBLTFR-JJRVBVJISA-N -1 0 398.406 3.584 50 0 GHAARM Cc1ccccc1NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722939 570830323 /nfs/dbraw/zinc/83/03/23/570830323.db2.gz JDZWDBPWGONKBV-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM CC1CC[NH+](Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[n-]c3n2)CC1 ZINC000101747750 570832161 /nfs/dbraw/zinc/83/21/61/570832161.db2.gz AGMAMILQUIRNRM-UHFFFAOYSA-N -1 0 379.508 3.614 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000003263276 570844481 /nfs/dbraw/zinc/84/44/81/570844481.db2.gz MVOJYOWURUXKQO-UHFFFAOYSA-N -1 0 394.880 3.829 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)ccc1Br ZINC000012544756 570845001 /nfs/dbraw/zinc/84/50/01/570845001.db2.gz BVHJURQSLQMMTC-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM COC[C@@](C)(NC(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1)C(=O)[O-] ZINC000170592131 570851260 /nfs/dbraw/zinc/85/12/60/570851260.db2.gz WMGIVLSHMDRMMD-JOCHJYFZSA-N -1 0 398.434 3.513 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2[n-]c1=S ZINC000102675316 570856864 /nfs/dbraw/zinc/85/68/64/570856864.db2.gz LBPOPGUBFJMRIY-SFHVURJKSA-N -1 0 379.485 3.682 50 0 GHAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(F)c4)cnn32)cc1 ZINC000102810831 570865325 /nfs/dbraw/zinc/86/53/25/570865325.db2.gz HGFHVNKAJIARSW-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1Cl ZINC000012605567 570888763 /nfs/dbraw/zinc/88/87/63/570888763.db2.gz DFDBMQYOGLQUAC-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM CC[C@@H](C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000022416154 570890025 /nfs/dbraw/zinc/89/00/25/570890025.db2.gz JWJZDXAWKMAYOF-GFCCVEGCSA-N -1 0 380.441 3.620 50 0 GHAARM O=[S@]([O-])c1c(Br)cc(Br)cc1Br ZINC000675061973 570904125 /nfs/dbraw/zinc/90/41/25/570904125.db2.gz WKTLNSYBCZDCJR-UHFFFAOYSA-N -1 0 378.867 3.555 50 0 GHAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000016130001 570912639 /nfs/dbraw/zinc/91/26/39/570912639.db2.gz JDNJTVXJFZNPKI-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM COc1cccc2sc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)nc21 ZINC000032912189 570915561 /nfs/dbraw/zinc/91/55/61/570915561.db2.gz HLERDVYBFRGEDC-UHFFFAOYSA-N -1 0 384.442 3.869 50 0 GHAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(OC)c1 ZINC000004743379 570957287 /nfs/dbraw/zinc/95/72/87/570957287.db2.gz UQUVIGKQZFZMDJ-GOSISDBHSA-N -1 0 385.460 3.947 50 0 GHAARM O=C([O-])[C@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178267240 570972781 /nfs/dbraw/zinc/97/27/81/570972781.db2.gz HMDGIZWGUJFPLE-JTQLQIEISA-N -1 0 381.215 3.727 50 0 GHAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002157552 570973900 /nfs/dbraw/zinc/97/39/00/570973900.db2.gz NOHJPRJHIPDDHW-SBKAZYGRSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000170685458 571010714 /nfs/dbraw/zinc/01/07/14/571010714.db2.gz QSNGPCOXAQCIND-PZJWPPBQSA-N -1 0 381.472 3.930 50 0 GHAARM C/C(=C\C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1C(F)(F)F ZINC000584908399 600967789 /nfs/dbraw/zinc/96/77/89/600967789.db2.gz KKDRWBNCNXLFTG-OUKQBFOZSA-N -1 0 385.382 3.591 50 0 GHAARM COc1cccc(C2CCN(C(=O)c3nn(-c4ccccc4)cc3[O-])CC2)c1 ZINC000175817526 838100003 /nfs/dbraw/zinc/10/00/03/838100003.db2.gz WYISMIUYSYFKHN-UHFFFAOYSA-N -1 0 377.444 3.606 50 0 GHAARM O=C([O-])CCCCCNC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21 ZINC000040268872 856719321 /nfs/dbraw/zinc/71/93/21/856719321.db2.gz RNCRKBRYLFQXQY-UHFFFAOYSA-N -1 0 394.471 3.982 50 0 GHAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1C ZINC000009191881 856951585 /nfs/dbraw/zinc/95/15/85/856951585.db2.gz QPACIAKQRIDVNB-UHFFFAOYSA-N -1 0 396.468 3.948 50 0 GHAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)c2)nn1 ZINC000004320247 862959365 /nfs/dbraw/zinc/95/93/65/862959365.db2.gz KNALHIUYPWVBDJ-UHFFFAOYSA-N -1 0 399.472 3.578 50 0 GHAARM O=C1NC(=O)/C(=C/c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c2ccccc21 ZINC000084576881 859984509 /nfs/dbraw/zinc/98/45/09/859984509.db2.gz XSIJMKDURXETER-LFIBNONCSA-N -1 0 383.329 3.702 50 0 GHAARM CCc1nc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)cn1CC1CC1 ZINC000585097848 897372893 /nfs/dbraw/zinc/37/28/93/897372893.db2.gz ABYHFLMAOBZWAA-UHFFFAOYSA-N -1 0 386.477 3.620 50 0 GHAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCc3ccccc3[C@H]2C)cc1 ZINC000192982398 904349103 /nfs/dbraw/zinc/34/91/03/904349103.db2.gz XYIRDBVLZCFQCT-CQSZACIVSA-N -1 0 375.428 3.638 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2ccc3nc(C)sc3c2)sc1C(C)C ZINC000079495045 907915043 /nfs/dbraw/zinc/91/50/43/907915043.db2.gz PWGJFJIAUDMXCY-UHFFFAOYSA-N -1 0 375.475 3.645 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000005904464 916061488 /nfs/dbraw/zinc/06/14/88/916061488.db2.gz GRXWVCPLEUJQJE-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1cccc(C(=O)[O-])c1 ZINC000254558662 916820251 /nfs/dbraw/zinc/82/02/51/916820251.db2.gz QEILMBMZDAXUML-UHFFFAOYSA-N -1 0 389.459 3.925 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079619 210203176 /nfs/dbraw/zinc/20/31/76/210203176.db2.gz SHHGMKHSDQPMDK-NEPJUHHUSA-N -1 0 390.436 3.969 50 0 GHAARM COc1c2sc3ncnc(N[C@H](C)C(=O)[O-])c3c2ccc1Br ZINC000013941927 210095848 /nfs/dbraw/zinc/09/58/48/210095848.db2.gz IRIWWGWOJCHKHW-ZCFIWIBFSA-N -1 0 382.239 3.501 50 0 GHAARM COC(=O)c1c(C)c(C)sc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000013249579 210055760 /nfs/dbraw/zinc/05/57/60/210055760.db2.gz RLTORAYGLARFIP-IBGZPJMESA-N -1 0 375.446 3.523 50 0 GHAARM COc1ccc(CNC(=O)CSc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000012936241 210033813 /nfs/dbraw/zinc/03/38/13/210033813.db2.gz MEXATRKOSNJMBF-UHFFFAOYSA-N -1 0 383.828 3.594 50 0 GHAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000012928891 210032070 /nfs/dbraw/zinc/03/20/70/210032070.db2.gz DLLLYAZOQDSKAU-UHFFFAOYSA-N -1 0 386.807 3.546 50 0 GHAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000006147025 209632571 /nfs/dbraw/zinc/63/25/71/209632571.db2.gz QBGBVHHRESHDAX-UHFFFAOYSA-N -1 0 376.434 3.940 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000003367899 209429021 /nfs/dbraw/zinc/42/90/21/209429021.db2.gz KGUDEUFYIMHWPK-UHFFFAOYSA-N -1 0 399.497 3.917 50 0 GHAARM O=S(=O)([N-]c1ncn(Cc2ccccc2Cl)n1)c1ccc2ccccc2c1 ZINC000002776704 209384056 /nfs/dbraw/zinc/38/40/56/209384056.db2.gz YIVWUUQYAYGCPU-UHFFFAOYSA-N -1 0 398.875 3.934 50 0 GHAARM Cn1cc(Cl)c(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)n1 ZINC000002780399 209383948 /nfs/dbraw/zinc/38/39/48/209383948.db2.gz VLOILBLATOEDEV-UHFFFAOYSA-N -1 0 386.530 3.645 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)Nc3ccccc3F)c(=O)c12 ZINC000010166804 209321500 /nfs/dbraw/zinc/32/15/00/209321500.db2.gz MGAXZDQDMCXYOH-UHFFFAOYSA-N -1 0 376.391 3.722 50 0 GHAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000001159943 209309109 /nfs/dbraw/zinc/30/91/09/209309109.db2.gz GWHKQYJPZQRYNY-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM Cc1cc([N-]C(NC(=O)c2ccccc2C)(C(F)(F)F)C(F)(F)F)no1 ZINC000001036956 209291150 /nfs/dbraw/zinc/29/11/50/209291150.db2.gz HNSTYGKDDYEHDX-UHFFFAOYSA-N -1 0 381.276 3.954 50 0 GHAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3CCCc4ccccc43)c(=O)c12 ZINC000009316336 209263338 /nfs/dbraw/zinc/26/33/38/209263338.db2.gz LGABJXVGGILDIE-UHFFFAOYSA-N -1 0 384.439 3.615 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1C[C@H]1c1ccccc1 ZINC000000669628 209256233 /nfs/dbraw/zinc/25/62/33/209256233.db2.gz IZTOXBAVGARGNF-IRXDYDNUSA-N -1 0 399.497 3.686 50 0 GHAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000629779 209252193 /nfs/dbraw/zinc/25/21/93/209252193.db2.gz KYBLCSMSEXHJLG-LIKPIUCQSA-N -1 0 395.414 3.781 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c(Br)c1 ZINC000100662948 209243332 /nfs/dbraw/zinc/24/33/32/209243332.db2.gz MWYIDQFADMDHQE-UHFFFAOYSA-N -1 0 399.244 3.586 50 0 biogenic GHAARM COc1ccc(-c2c(=O)c3c(O)cc([O-])cc3oc2C(F)(F)F)cc1OC ZINC000005605259 209230804 /nfs/dbraw/zinc/23/08/04/209230804.db2.gz XDOQFWYQBDDOAF-UHFFFAOYSA-N -1 0 382.290 3.907 50 0 biogenic GHAARM O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000054106031 209213792 /nfs/dbraw/zinc/21/37/92/209213792.db2.gz VNVJZZDWLDQIDT-UHFFFAOYSA-N -1 0 388.826 3.613 50 0 GHAARM COc1ccc(-c2csc3ncn(Cc4ccc(C(=O)[O-])cc4)c(=O)c23)cc1 ZINC000000645735 211485374 /nfs/dbraw/zinc/48/53/74/211485374.db2.gz BJBRGZWSPUDADO-UHFFFAOYSA-N -1 0 392.436 3.880 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C(C)C)s2)c1=O ZINC000100512710 211386727 /nfs/dbraw/zinc/38/67/27/211386727.db2.gz FBRDKGJFQONYFQ-UHFFFAOYSA-N -1 0 386.477 3.734 50 0 GHAARM Cc1ccc(S(=O)(=O)C(C(=O)Nc2ccccc2)=C([O-])c2ccccc2)cc1 ZINC000100296897 211385733 /nfs/dbraw/zinc/38/57/33/211385733.db2.gz KZFQLTMLLNYYNX-NRFANRHFSA-N -1 0 393.464 3.659 50 0 GHAARM COCCNc1cc(-c2cc(C)nc(-c3ccccc3[O-])n2)c2cc[nH]c2n1 ZINC000072430914 211117148 /nfs/dbraw/zinc/11/71/48/211117148.db2.gz LZYHWHYLLFTMGO-UHFFFAOYSA-N -1 0 375.432 3.759 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1Cl ZINC000072301170 211085724 /nfs/dbraw/zinc/08/57/24/211085724.db2.gz JVHFFGRNAMEQSA-UHFFFAOYSA-N -1 0 381.759 3.874 50 0 GHAARM O=C([O-])[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071736242 211053854 /nfs/dbraw/zinc/05/38/54/211053854.db2.gz UXVVUJJWFRVFAY-JOCHJYFZSA-N -1 0 377.444 3.503 50 0 GHAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Br)c2cccnc12 ZINC000071284499 211044651 /nfs/dbraw/zinc/04/46/51/211044651.db2.gz MISNDWQMABLQAJ-UHFFFAOYSA-N -1 0 385.217 3.877 50 0 GHAARM CN(C(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000071286055 211044309 /nfs/dbraw/zinc/04/43/09/211044309.db2.gz WIEPMVCFEYOYBK-UHFFFAOYSA-N -1 0 388.423 3.843 50 0 GHAARM Cc1ccc(Nc2nc([O-])c(Cc3n[nH]c(CCc4ccccc4)n3)s2)cc1 ZINC000065530199 210996508 /nfs/dbraw/zinc/99/65/08/210996508.db2.gz XDKVGVZRXZHLTC-QGZVFWFLSA-N -1 0 391.500 3.551 50 0 GHAARM CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877797 210936453 /nfs/dbraw/zinc/93/64/53/210936453.db2.gz ZYZPKBNWLXQRQB-UHFFFAOYSA-N -1 0 375.780 3.532 50 0 GHAARM CC(C)CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115263 210625596 /nfs/dbraw/zinc/62/55/96/210625596.db2.gz HQSUMHIGPQZTLV-UHFFFAOYSA-N -1 0 392.546 3.743 50 0 GHAARM COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)on1 ZINC000021540634 210385420 /nfs/dbraw/zinc/38/54/20/210385420.db2.gz YZNADOBFHOIIBP-UHFFFAOYSA-N -1 0 392.458 3.607 50 0 GHAARM CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021882337 210396503 /nfs/dbraw/zinc/39/65/03/210396503.db2.gz YBJLWNOBSDMZFK-UHFFFAOYSA-N -1 0 387.867 3.632 50 0 GHAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(F)c(Cl)c1 ZINC000020606329 210352266 /nfs/dbraw/zinc/35/22/66/210352266.db2.gz XREHDJRQVVVFNS-DOTOQJQBSA-N -1 0 397.855 3.855 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(OC)c1 ZINC000020580031 210348845 /nfs/dbraw/zinc/34/88/45/210348845.db2.gz PILJJHLIEUQIDY-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000065528357 136164266 /nfs/dbraw/zinc/16/42/66/136164266.db2.gz FLPZQNJKOOLJAX-UHFFFAOYSA-N -1 0 389.455 3.583 50 0 GHAARM Cc1cc(Br)c([O-])c(C(=O)Nc2cccc(Cn3ccnc3)c2)c1 ZINC000047830911 570214949 /nfs/dbraw/zinc/21/49/49/570214949.db2.gz RJWZLSNGWYHSML-UHFFFAOYSA-N -1 0 386.249 3.960 50 0 GHAARM Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)[n-]2)cc1 ZINC000049006612 570258031 /nfs/dbraw/zinc/25/80/31/570258031.db2.gz APYUAJBAZDQXIF-UHFFFAOYSA-N -1 0 391.349 3.689 50 0 GHAARM COc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccccc2)cc1OC ZINC000049402328 570264269 /nfs/dbraw/zinc/26/42/69/570264269.db2.gz VXCVXPKCXLZVRT-UHFFFAOYSA-N -1 0 385.445 3.643 50 0 GHAARM CCN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215281757 570286797 /nfs/dbraw/zinc/28/67/97/570286797.db2.gz OVYKSTLZZKRQRX-UHFFFAOYSA-N -1 0 393.287 3.566 50 0 GHAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000328598939 570287828 /nfs/dbraw/zinc/28/78/28/570287828.db2.gz PHMBKAWTBSIBGV-HSZRJFAPSA-N -1 0 395.455 3.749 50 0 GHAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)c1 ZINC000034765060 570333199 /nfs/dbraw/zinc/33/31/99/570333199.db2.gz AZUVOILPLIGHBT-HNNXBMFYSA-N -1 0 386.496 3.516 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006221732 570343840 /nfs/dbraw/zinc/34/38/40/570343840.db2.gz KLTNBKGZTGILEM-MSOLQXFVSA-N -1 0 385.464 3.746 50 0 GHAARM CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2N)cc1Br ZINC000004865433 570351217 /nfs/dbraw/zinc/35/12/17/570351217.db2.gz NNQXUOYYEFMWOX-UHFFFAOYSA-N -1 0 385.283 3.539 50 0 GHAARM COc1cc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])ccc1O ZINC000004226141 570363512 /nfs/dbraw/zinc/36/35/12/570363512.db2.gz VOUQMJDWTCHDFT-AWNIVKPZSA-N -1 0 382.199 3.563 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCC[C@H](C(=O)[O-])C4)cc3)o2)cc1 ZINC000237774108 570396314 /nfs/dbraw/zinc/39/63/14/570396314.db2.gz KIJHRZJYIBAFLZ-SFHVURJKSA-N -1 0 391.427 3.649 50 0 GHAARM Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCCC[C@H]4C(=O)[O-])cc3)o2)cc1 ZINC000237773952 570396455 /nfs/dbraw/zinc/39/64/55/570396455.db2.gz MBRQPIJENRHXQN-SFHVURJKSA-N -1 0 391.427 3.791 50 0 GHAARM CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc([O-])c(Cl)c1 ZINC000032969301 570398189 /nfs/dbraw/zinc/39/81/89/570398189.db2.gz QXTSTBSGZPVFPR-UHFFFAOYSA-N -1 0 386.757 3.775 50 0 GHAARM O=C([O-])C[C@@H](CC(=O)NCc1ccccc1)c1ccc(Br)cc1 ZINC000035588005 570402145 /nfs/dbraw/zinc/40/21/45/570402145.db2.gz JOQRKLHXGODAHS-OAHLLOKOSA-N -1 0 376.250 3.714 50 0 GHAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000004809293 570406669 /nfs/dbraw/zinc/40/66/69/570406669.db2.gz AFKORKALDMGJMV-CYBMUJFWSA-N -1 0 378.519 3.738 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)SCC4)c2)s1 ZINC000005083992 570413936 /nfs/dbraw/zinc/41/39/36/570413936.db2.gz WPLOOJGQYNVQDE-UHFFFAOYSA-N -1 0 377.516 3.827 50 0 GHAARM CO[C@@H](C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C1CC1 ZINC000400223775 570419209 /nfs/dbraw/zinc/41/92/09/570419209.db2.gz ORNJJNYXYQHEIC-RTWAWAEBSA-N -1 0 395.455 3.793 50 0 GHAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000026540581 570426477 /nfs/dbraw/zinc/42/64/77/570426477.db2.gz IZMKIAJWCFWARN-UHFFFAOYSA-N -1 0 382.507 3.774 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000241126022 570431119 /nfs/dbraw/zinc/43/11/19/570431119.db2.gz JIZMXTWBCYYWJQ-RBSFLKMASA-N -1 0 379.840 3.503 50 0 GHAARM CCOC(=O)/C(=C/c1ccc(C(=O)[O-])cc1)c1nccn1Cc1ccccc1 ZINC000054180321 570451806 /nfs/dbraw/zinc/45/18/06/570451806.db2.gz JBQSQIXGDAWKTD-XMHGGMMESA-N -1 0 376.412 3.733 50 0 GHAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000030032026 570485619 /nfs/dbraw/zinc/48/56/19/570485619.db2.gz HWLQZMFQBXQESW-UHFFFAOYSA-N -1 0 383.404 3.656 50 0 GHAARM CCCC[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624233 570508388 /nfs/dbraw/zinc/50/83/88/570508388.db2.gz RNKDIXHHQDECEJ-HNNXBMFYSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c21 ZINC000006624111 570508412 /nfs/dbraw/zinc/50/84/12/570508412.db2.gz NHGBUIVLEYBCEO-HNNXBMFYSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM COc1cccc(-c2nc(C(=O)N[C@@H](C)C(=O)[O-])cc3c4ccccc4[nH]c32)c1 ZINC000061999449 570554422 /nfs/dbraw/zinc/55/44/22/570554422.db2.gz OGISDZAPNRRFBO-LBPRGKRZSA-N -1 0 389.411 3.595 50 0 biogenic GHAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000033007368 570620062 /nfs/dbraw/zinc/62/00/62/570620062.db2.gz NSQBRKQLLSFMTC-AWEZNQCLSA-N -1 0 388.489 3.730 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1 ZINC000064979436 570623235 /nfs/dbraw/zinc/62/32/35/570623235.db2.gz UDFPWPQNPZFRED-UHFFFAOYSA-N -1 0 388.445 3.858 50 0 GHAARM CCOc1ccc2nc(NC(=O)Cc3c(C(=O)[O-])c(C)cn3CC)sc2c1 ZINC000064983741 570631420 /nfs/dbraw/zinc/63/14/20/570631420.db2.gz XJDQZTFHNSPDJD-UHFFFAOYSA-N -1 0 387.461 3.704 50 0 GHAARM C[C@@H](Sc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1)C(=O)[O-] ZINC000064987316 570631510 /nfs/dbraw/zinc/63/15/10/570631510.db2.gz CPQXLUBKKNNBHU-CYBMUJFWSA-N -1 0 397.456 3.661 50 0 GHAARM O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCCCC3)cn(Cc3ccccc3)c2c1 ZINC000036367274 570645765 /nfs/dbraw/zinc/64/57/65/570645765.db2.gz HYEJLFUIWCKHTJ-NRFANRHFSA-N -1 0 392.455 3.999 50 0 GHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1 ZINC000024992168 570662187 /nfs/dbraw/zinc/66/21/87/570662187.db2.gz JOWVCFXDOKVDNN-UHFFFAOYSA-N -1 0 391.342 3.770 50 0 GHAARM O=C([O-])C1CCN(C(=O)c2cccnc2SC/C=C/c2ccccc2)CC1 ZINC000055119717 570683955 /nfs/dbraw/zinc/68/39/55/570683955.db2.gz AYCULQGZAYOSKX-VMPITWQZSA-N -1 0 382.485 3.824 50 0 GHAARM O=S(=O)([N-]c1cnn(COc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 ZINC000032610240 570690695 /nfs/dbraw/zinc/69/06/95/570690695.db2.gz XZECGMYLKRXPQS-UHFFFAOYSA-N -1 0 399.806 3.652 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000065184001 570722400 /nfs/dbraw/zinc/72/24/00/570722400.db2.gz XYWYCFAOAOOZFF-UHFFFAOYSA-N -1 0 384.914 3.931 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065183999 570722709 /nfs/dbraw/zinc/72/27/09/570722709.db2.gz GRWRBNVSVRDELL-UHFFFAOYSA-N -1 0 382.486 3.725 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)c(C)c1 ZINC000065183551 570722726 /nfs/dbraw/zinc/72/27/26/570722726.db2.gz JHGCCVBOUOONOE-UHFFFAOYSA-N -1 0 379.507 3.945 50 0 GHAARM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000058358138 570728844 /nfs/dbraw/zinc/72/88/44/570728844.db2.gz VTFMFKWRUPMCHY-GOSISDBHSA-N -1 0 391.537 3.777 50 0 GHAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246475 570747556 /nfs/dbraw/zinc/74/75/56/570747556.db2.gz KETHFKZDDUHWFB-UHFFFAOYSA-N -1 0 377.397 3.927 50 0 GHAARM CCc1cccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c1 ZINC000065250028 570748811 /nfs/dbraw/zinc/74/88/11/570748811.db2.gz RINQEHUDHNYQFS-UHFFFAOYSA-N -1 0 388.427 3.543 50 0 GHAARM CCCn1nccc1[C@H]1CC(c2c([O-])cc(C)oc2=O)=Nc2ccccc2N1 ZINC000036619563 570765416 /nfs/dbraw/zinc/76/54/16/570765416.db2.gz ACVKJYVSRWFGHO-MRXNPFEDSA-N -1 0 378.432 3.938 50 0 GHAARM Cc1cnn(-c2ccc([C@H](C)NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2F)c1 ZINC000170044303 570792222 /nfs/dbraw/zinc/79/22/22/570792222.db2.gz SDBAMBCHHNKRDH-HNNXBMFYSA-N -1 0 395.434 3.828 50 0 GHAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483747 570805092 /nfs/dbraw/zinc/80/50/92/570805092.db2.gz DNBUATFXBNGHIX-CABCVRRESA-N -1 0 393.205 3.626 50 0 GHAARM O=C(Nc1ccc(F)cc1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722840 570830437 /nfs/dbraw/zinc/83/04/37/570830437.db2.gz HIIWZDZXFJIVND-UHFFFAOYSA-N -1 0 389.386 3.542 50 0 GHAARM CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101763506 570833420 /nfs/dbraw/zinc/83/34/20/570833420.db2.gz CUTBNCYOGGUJQE-GFCCVEGCSA-N -1 0 378.885 3.504 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)N1CCCC1 ZINC000101832817 570836712 /nfs/dbraw/zinc/83/67/12/570836712.db2.gz BFAACYZBHXQWCN-UHFFFAOYSA-N -1 0 382.489 3.565 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)cc1C ZINC000101835588 570836851 /nfs/dbraw/zinc/83/68/51/570836851.db2.gz QVXQYQLVBLSIIL-INIZCTEOSA-N -1 0 394.456 3.797 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccccc2)C1 ZINC000101836856 570837192 /nfs/dbraw/zinc/83/71/92/570837192.db2.gz FOCYBYJSAINJQN-QGZVFWFLSA-N -1 0 394.818 3.772 50 0 GHAARM CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000004706308 570854241 /nfs/dbraw/zinc/85/42/41/570854241.db2.gz JBNRTVNSSNRQDM-CYBMUJFWSA-N -1 0 380.897 3.978 50 0 GHAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)c1 ZINC000102820920 570865921 /nfs/dbraw/zinc/86/59/21/570865921.db2.gz QWAVXRGHGOTGSA-INIZCTEOSA-N -1 0 394.456 3.797 50 0 GHAARM Cn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[n-]c1=S ZINC000102828884 570866336 /nfs/dbraw/zinc/86/63/36/570866336.db2.gz DCNLCWHQPJCAGO-UHFFFAOYSA-N -1 0 380.256 3.781 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Cl)c1 ZINC000003561043 570875375 /nfs/dbraw/zinc/87/53/75/570875375.db2.gz PNKBUFFWOIMBQR-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(Br)s1 ZINC000014230860 570904167 /nfs/dbraw/zinc/90/41/67/570904167.db2.gz CYRGZWIQPBASEJ-UHFFFAOYSA-N -1 0 398.307 3.556 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000047212132 570949290 /nfs/dbraw/zinc/94/92/90/570949290.db2.gz GCRIPYSRNMZJBN-UHFFFAOYSA-N -1 0 386.429 3.692 50 0 GHAARM O=C(Nc1ccccc1Br)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001302944 570956782 /nfs/dbraw/zinc/95/67/82/570956782.db2.gz VKHJJCGNYRARCF-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM CN1C(=O)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@@H]1c1ccccc1 ZINC000106570570 570965514 /nfs/dbraw/zinc/96/55/14/570965514.db2.gz SYNNHNSRVKJSLG-GRDNDAEWSA-N -1 0 398.406 3.536 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(Br)c1 ZINC000007708640 571019314 /nfs/dbraw/zinc/01/93/14/571019314.db2.gz STDPLZFSJPISTI-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(F)c1F ZINC000015589920 571026601 /nfs/dbraw/zinc/02/66/01/571026601.db2.gz YIRZCPAECGCKDT-UHFFFAOYSA-N -1 0 389.370 3.931 50 0 GHAARM COc1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](c4ccccc4)CC3)n2)cc1 ZINC000177145507 836048729 /nfs/dbraw/zinc/04/87/29/836048729.db2.gz NYNJGDTXPUVKJF-SFHVURJKSA-N -1 0 391.471 3.996 50 0 GHAARM COc1ccc(C(=O)[O-])nc1-c1cccc(C(=O)N2C[C@@H]3CCC[C@@H](C3)C2)c1 ZINC000584896902 841191555 /nfs/dbraw/zinc/19/15/55/841191555.db2.gz RUEFMAKWHWMRRH-GASCZTMLSA-N -1 0 380.444 3.718 50 0 GHAARM O=C(c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1)N1CCCCCC1 ZINC000002973363 862077885 /nfs/dbraw/zinc/07/78/85/862077885.db2.gz LYMAGRXJTOESGH-UHFFFAOYSA-N -1 0 393.512 3.750 50 0 GHAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1OC ZINC000009002300 856696883 /nfs/dbraw/zinc/69/68/83/856696883.db2.gz NJJKZEJWYOAPJM-UHFFFAOYSA-N -1 0 391.470 3.887 50 0 GHAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 ZINC000009009638 856697794 /nfs/dbraw/zinc/69/77/94/856697794.db2.gz PTKLITULSWPWCX-XMSQKQJNSA-N -1 0 375.428 3.630 50 0 GHAARM O=C([O-])CCCNC(=O)CCn1ccc2ccc(OCc3ccccc3)cc21 ZINC000040309560 856733559 /nfs/dbraw/zinc/73/35/59/856733559.db2.gz LWFNHSKLQBBASZ-UHFFFAOYSA-N -1 0 380.444 3.591 50 0 biogenic GHAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccc(Br)cc1 ZINC000009167639 856926212 /nfs/dbraw/zinc/92/62/12/856926212.db2.gz IDTBGNPYJOPSCW-UHFFFAOYSA-N -1 0 387.159 3.510 50 0 GHAARM CCN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000027474888 860449911 /nfs/dbraw/zinc/44/99/11/860449911.db2.gz XHMRJHVSPUNHOH-UHFFFAOYSA-N -1 0 384.860 3.762 50 0 GHAARM O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000066087843 878038254 /nfs/dbraw/zinc/03/82/54/878038254.db2.gz HVTMBIFIUFZFCC-AWEZNQCLSA-N -1 0 394.358 3.517 50 0 GHAARM CCCc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cnn1-c1cccc(C)c1 ZINC000630569487 903450884 /nfs/dbraw/zinc/45/08/84/903450884.db2.gz YSYHRBKWESLGEW-WBVHZDCISA-N -1 0 384.480 3.708 50 0 GHAARM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000952978597 904657759 /nfs/dbraw/zinc/65/77/59/904657759.db2.gz RBXJBYCEPZKSSW-JOCHJYFZSA-N -1 0 398.890 3.809 50 0 GHAARM COC(=O)c1c(NC(=S)Nc2cccc(C(=O)[O-])c2)sc2c1CCC2 ZINC000017076972 210200953 /nfs/dbraw/zinc/20/09/53/210200953.db2.gz OLTKSAQAZUYILK-UHFFFAOYSA-N -1 0 376.459 3.531 50 0 GHAARM Cc1ccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1C ZINC000015826843 210173108 /nfs/dbraw/zinc/17/31/08/210173108.db2.gz ZDLDWHPYNIEURI-CYBMUJFWSA-N -1 0 385.489 3.680 50 0 GHAARM CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000013845675 210094506 /nfs/dbraw/zinc/09/45/06/210094506.db2.gz WOHGJIWWPZOXPP-NMBAIYOOSA-N -1 0 389.451 3.522 50 0 GHAARM Cc1nn2c(nc(-c3cccc(OC(F)F)c3)cc2C(=O)[O-])c1Br ZINC000013645539 210073725 /nfs/dbraw/zinc/07/37/25/210073725.db2.gz SDNVRPSQCAFQBH-UHFFFAOYSA-N -1 0 398.163 3.767 50 0 GHAARM COc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)[O-])cs2)cc1OC ZINC000012990878 210041371 /nfs/dbraw/zinc/04/13/71/210041371.db2.gz GCTQZNMXYLMKFK-UHFFFAOYSA-N -1 0 398.440 3.707 50 0 GHAARM CCOc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)[O-])O[C@@H](C)C2 ZINC000012937283 210033638 /nfs/dbraw/zinc/03/36/38/210033638.db2.gz YFRWEXKZQZDURY-LBPRGKRZSA-N -1 0 387.457 3.838 50 0 GHAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)nn1 ZINC000005204201 209580372 /nfs/dbraw/zinc/58/03/72/209580372.db2.gz AZVSLZHSWCRUFH-UHFFFAOYSA-N -1 0 375.837 3.606 50 0 GHAARM Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000003441788 209435971 /nfs/dbraw/zinc/43/59/71/209435971.db2.gz ZBYCTOQAJCFYKH-UHFFFAOYSA-N -1 0 381.453 3.761 50 0 GHAARM C/C(=C\C(=O)Nc1sc(C)c(-c2ccc(C(C)C)cc2)c1C(N)=O)C(=O)[O-] ZINC000002777393 209384229 /nfs/dbraw/zinc/38/42/29/209384229.db2.gz VWGPZCAHGILDMA-PKNBQFBNSA-N -1 0 386.473 3.915 50 0 GHAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000002812629 209388781 /nfs/dbraw/zinc/38/87/81/209388781.db2.gz YMRGJGQSHOAUGR-AQTBWJFISA-N -1 0 397.452 3.819 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000002805029 209388301 /nfs/dbraw/zinc/38/83/01/209388301.db2.gz KCKSJUIVNITMQD-UHFFFAOYSA-N -1 0 395.843 3.533 50 0 GHAARM Cn1cc(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cn1 ZINC000002809774 209388113 /nfs/dbraw/zinc/38/81/13/209388113.db2.gz MFKTVZFYACNGMP-UHFFFAOYSA-N -1 0 389.847 3.720 50 0 GHAARM O=C([O-])c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000002597668 209371432 /nfs/dbraw/zinc/37/14/32/209371432.db2.gz OJBREIQCPOSMOP-UHFFFAOYSA-N -1 0 376.420 3.657 50 0 GHAARM C[C@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 ZINC000002731578 209379206 /nfs/dbraw/zinc/37/92/06/209379206.db2.gz RFLNXDZXQUGFND-GFCCVEGCSA-N -1 0 385.884 3.986 50 0 GHAARM COc1ccc([C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000002221697 209351568 /nfs/dbraw/zinc/35/15/68/209351568.db2.gz CCWNANOHUGFNHI-LJQANCHMSA-N -1 0 375.490 3.638 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000001148562 209306182 /nfs/dbraw/zinc/30/61/82/209306182.db2.gz IDTVGOICNYGMRU-UHFFFAOYSA-N -1 0 396.468 3.975 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc12 ZINC000001089972 209300154 /nfs/dbraw/zinc/30/01/54/209300154.db2.gz UHYZYQSYSRZDHK-UHFFFAOYSA-N -1 0 385.441 3.666 50 0 GHAARM O=C([O-])[C@H]1CS[C@H](c2c(Cl)n(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000000940104 209281090 /nfs/dbraw/zinc/28/10/90/209281090.db2.gz ONWWAQHJGGGUDX-RDTXWAMCSA-N -1 0 385.876 3.981 50 0 GHAARM O=C([O-])c1ccccc1N[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000000911071 209277859 /nfs/dbraw/zinc/27/78/59/209277859.db2.gz AKDHOYKSVRJXGT-CYBMUJFWSA-N -1 0 393.679 3.985 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3oc(C)c(C(C)=O)c3c2)c1 ZINC000000816395 209269356 /nfs/dbraw/zinc/26/93/56/209269356.db2.gz YOHIIUPOQRBNOW-UHFFFAOYSA-N -1 0 389.429 3.762 50 0 GHAARM Cc1nn(-c2ccc(C)cc2)c2[n-]cc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)c12 ZINC000009316376 209263604 /nfs/dbraw/zinc/26/36/04/209263604.db2.gz BALNOSHYLHUVKZ-OAHLLOKOSA-N -1 0 398.466 3.922 50 0 GHAARM O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000671243 209258411 /nfs/dbraw/zinc/25/84/11/209258411.db2.gz VJLNGUYRFWWOFN-UHFFFAOYSA-N -1 0 379.507 3.853 50 0 GHAARM CCN1c2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc2OCC(C)(C)C1=O ZINC000009170677 209249907 /nfs/dbraw/zinc/24/99/07/209249907.db2.gz FHUZNCCPHBGTEY-UHFFFAOYSA-N -1 0 394.518 3.629 50 0 GHAARM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\NC(=O)C(C)(C)C)C(=O)[O-] ZINC000096316160 209239782 /nfs/dbraw/zinc/23/97/82/209239782.db2.gz DWDBYIWGRYTBCB-DHDCSXOGSA-N -1 0 393.846 3.620 50 0 GHAARM C[C@H](COC1CCCC1)CS(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000328596044 209145180 /nfs/dbraw/zinc/14/51/80/209145180.db2.gz PNAFQUBMMBCXLM-GFCCVEGCSA-N -1 0 381.416 3.922 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(C)c(C)c4)nn3c2=O)cc1 ZINC000101802989 211403964 /nfs/dbraw/zinc/40/39/64/211403964.db2.gz RNTRNPLHGCJILY-UHFFFAOYSA-N -1 0 387.487 3.854 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101167645 211396481 /nfs/dbraw/zinc/39/64/81/211396481.db2.gz STCXKMXIVAXZFZ-JKSUJKDBSA-N -1 0 388.349 3.507 50 0 GHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2)c1 ZINC000101298372 211395876 /nfs/dbraw/zinc/39/58/76/211395876.db2.gz IHJSUKYECZRHSA-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM O=C(Nc1nc2ccc(F)cc2s1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613832 211389155 /nfs/dbraw/zinc/38/91/55/211389155.db2.gz JLRMGJSJENODAO-UHFFFAOYSA-N -1 0 395.415 3.654 50 0 GHAARM O=C(NCc1ccccc1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100672418 211388869 /nfs/dbraw/zinc/38/88/69/211388869.db2.gz ZYZUAQLVMSHJQB-UHFFFAOYSA-N -1 0 384.435 3.685 50 0 GHAARM COc1cc(/C=C\C(=O)[O-])ccc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000096730949 211347922 /nfs/dbraw/zinc/34/79/22/211347922.db2.gz NCSNMDYBVBAVNL-CLFYSBASSA-N -1 0 390.457 3.794 50 0 GHAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000096379480 211337992 /nfs/dbraw/zinc/33/79/92/211337992.db2.gz OHELBKHCGVKVGC-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1oc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000096386726 211338007 /nfs/dbraw/zinc/33/80/07/211338007.db2.gz URJLEUMAKKRTOC-UHFFFAOYSA-N -1 0 382.239 3.541 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1-c1nnc(C2CC2)o1 ZINC000096379642 211337352 /nfs/dbraw/zinc/33/73/52/211337352.db2.gz UGASBUQDRZJTQY-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM CCCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)nn(C(C)C)c3C)c2C1 ZINC000095959851 211287360 /nfs/dbraw/zinc/28/73/60/211287360.db2.gz ZOEAEULLCIERHP-UHFFFAOYSA-N -1 0 390.553 3.997 50 0 GHAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)c1C ZINC000095466365 211246158 /nfs/dbraw/zinc/24/61/58/211246158.db2.gz YNXMKUNDYHCPTE-UHFFFAOYSA-N -1 0 390.553 3.682 50 0 GHAARM COc1ccccc1[C@@H]1CN(C(=O)c2cc3cc(C)ccc3o2)C[C@H]1C(=O)[O-] ZINC000092021341 211212688 /nfs/dbraw/zinc/21/26/88/211212688.db2.gz NVMGIBRVFNSYGG-DLBZAZTESA-N -1 0 379.412 3.690 50 0 GHAARM CCCCN1C[C@@]2(CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)CCC1=O ZINC000091644502 211199389 /nfs/dbraw/zinc/19/93/89/211199389.db2.gz MCQPOWLWCIBGBE-HXUWFJFHSA-N -1 0 378.900 3.691 50 0 GHAARM O=S(=O)([N-]c1nnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cc1 ZINC000079061416 211154015 /nfs/dbraw/zinc/15/40/15/211154015.db2.gz WTTCWBXYUGLUDQ-UHFFFAOYSA-N -1 0 375.353 3.618 50 0 GHAARM CCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)[C@@H](C)C2)c(C(=O)[O-])c1 ZINC000033078601 210623707 /nfs/dbraw/zinc/62/37/07/210623707.db2.gz PUGUIRNXVKMKMX-INIZCTEOSA-N -1 0 381.476 3.757 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000028913675 210536398 /nfs/dbraw/zinc/53/63/98/210536398.db2.gz CVHPNKCIHMOVDC-UHFFFAOYSA-N -1 0 395.651 3.650 50 0 GHAARM Cc1ccc2c(c1)sc1nc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c(=O)n21 ZINC000021883986 210399049 /nfs/dbraw/zinc/39/90/49/210399049.db2.gz KDRRXQHHQQNJJB-UHFFFAOYSA-N -1 0 399.497 3.635 50 0 GHAARM Cc1ccccc1-n1c(=S)[n-]c(=O)c2c1NCN(CCc1ccccc1)C2 ZINC000020419204 210332690 /nfs/dbraw/zinc/33/26/90/210332690.db2.gz PDKFIMWXZYGCJU-UHFFFAOYSA-N -1 0 378.501 3.631 50 0 GHAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)s1 ZINC000011915598 221136140 /nfs/dbraw/zinc/13/61/40/221136140.db2.gz QEKIFCXFQNHRAQ-UHFFFAOYSA-N -1 0 376.463 3.956 50 0 GHAARM Cc1cccc(N2CCN(c3ccc(NC(=O)C(C)C)c(C(=O)[O-])c3)CC2)c1 ZINC000064589704 136157083 /nfs/dbraw/zinc/15/70/83/136157083.db2.gz PXYIBJLGRXSFNV-UHFFFAOYSA-N -1 0 381.476 3.614 50 0 GHAARM COc1cccc2cc(C(=O)/C=C\c3ccc(OCC(=O)[O-])c(OC)c3)oc21 ZINC000096765893 524257674 /nfs/dbraw/zinc/25/76/74/524257674.db2.gz FXUVUBMFSCSLBW-VURMDHGXSA-N -1 0 382.368 3.810 50 0 GHAARM Cc1cc(S(=O)(=O)N(Cc2ccco2)c2ccccc2)sc1C(=O)[O-] ZINC000048331824 570238460 /nfs/dbraw/zinc/23/84/60/570238460.db2.gz KNUUTRBJTVUSKN-UHFFFAOYSA-N -1 0 377.443 3.743 50 0 GHAARM CC(C)CCNC(=O)CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O ZINC000034764087 570333061 /nfs/dbraw/zinc/33/30/61/570333061.db2.gz AGVMLZWYBFWELU-UHFFFAOYSA-N -1 0 398.507 3.518 50 0 GHAARM COc1ccccc1[C@H](C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237247037 570340341 /nfs/dbraw/zinc/34/03/41/570340341.db2.gz FJCONKPMQRKZPZ-QGZVFWFLSA-N -1 0 381.472 3.834 50 0 GHAARM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000026530744 570341138 /nfs/dbraw/zinc/34/11/38/570341138.db2.gz SZVPBYGQMGFANA-UHFFFAOYSA-N -1 0 376.869 3.926 50 0 GHAARM COc1ccc(-c2cnc(CCC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000237428990 570355468 /nfs/dbraw/zinc/35/54/68/570355468.db2.gz RWRTXHAMADXNTH-SZMVWBNQSA-N -1 0 398.459 3.527 50 0 GHAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cc(Cl)sc1Cl ZINC000004333295 570368602 /nfs/dbraw/zinc/36/86/02/570368602.db2.gz SDYCZTVFAQXVGM-UHFFFAOYSA-N -1 0 393.317 3.692 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000004652220 570389699 /nfs/dbraw/zinc/38/96/99/570389699.db2.gz WNONPYXRQSNKDT-OSRDXIQISA-N -1 0 391.489 3.647 50 0 GHAARM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1 ZINC000032971150 570398054 /nfs/dbraw/zinc/39/80/54/570398054.db2.gz OBVYDSGAZASFFN-HNNXBMFYSA-N -1 0 388.489 3.730 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc1 ZINC000024924447 570398635 /nfs/dbraw/zinc/39/86/35/570398635.db2.gz MVFZRDAOYZXVGO-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1(F)F ZINC000521396614 570418170 /nfs/dbraw/zinc/41/81/70/570418170.db2.gz VLSBUDCUZNUOQJ-SFHVURJKSA-N -1 0 387.382 3.977 50 0 GHAARM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000005136589 570423520 /nfs/dbraw/zinc/42/35/20/570423520.db2.gz AIOVXIWPECDHLU-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccn2)cc1 ZINC000005027025 570424575 /nfs/dbraw/zinc/42/45/75/570424575.db2.gz XBJRLQVACSHZRE-OAQYLSRUSA-N -1 0 396.406 3.920 50 0 GHAARM CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[N-]C(=O)OC)cc1 ZINC000005145067 570426531 /nfs/dbraw/zinc/42/65/31/570426531.db2.gz UDLVGUVTTUHYEH-UHFFFAOYSA-N -1 0 376.434 3.512 50 0 GHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)nn1 ZINC000005150728 570428537 /nfs/dbraw/zinc/42/85/37/570428537.db2.gz VHSKIYMMYLEPCE-UHFFFAOYSA-N -1 0 375.475 3.713 50 0 GHAARM O=C([O-])C[C@H]1SC(=NN=Cc2ccc(Cl)cc2)N(c2ccccc2)C1=O ZINC000252637301 570455281 /nfs/dbraw/zinc/45/52/81/570455281.db2.gz XRNDXSIDTSRKLO-OAHLLOKOSA-N -1 0 387.848 3.653 50 0 GHAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000006244060 570473951 /nfs/dbraw/zinc/47/39/51/570473951.db2.gz LWKUYPGFQUXMGC-UHFFFAOYSA-N -1 0 396.896 3.679 50 0 GHAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4F)c32)ccc1O ZINC000061719154 570502093 /nfs/dbraw/zinc/50/20/93/570502093.db2.gz SUULDDYNKHFGPZ-LBPRGKRZSA-N -1 0 396.374 3.503 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(F)F ZINC000253180652 570527247 /nfs/dbraw/zinc/52/72/47/570527247.db2.gz DUAGREDNWGTDAN-IAGOWNOFSA-N -1 0 387.382 3.833 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000001129157 570534692 /nfs/dbraw/zinc/53/46/92/570534692.db2.gz PUVGGQNRUIHCRW-RTBURBONSA-N -1 0 396.443 3.777 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1 ZINC000032971104 570555293 /nfs/dbraw/zinc/55/52/93/570555293.db2.gz CZOIFMXGGROIAL-UHFFFAOYSA-N -1 0 388.489 3.730 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853140 570556360 /nfs/dbraw/zinc/55/63/60/570556360.db2.gz FDLSRYIFXYLPRK-HNNXBMFYSA-N -1 0 378.448 3.912 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)c(Cl)cc21 ZINC000006779710 570587683 /nfs/dbraw/zinc/58/76/83/570587683.db2.gz GCDHXJHTFDTUEU-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006780077 570588069 /nfs/dbraw/zinc/58/80/69/570588069.db2.gz GHEXLTFXJNUKNC-ITOSSNOYSA-N -1 0 377.506 3.658 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1F ZINC000064919800 570590966 /nfs/dbraw/zinc/59/09/66/570590966.db2.gz ZLQDEVZRCXMHLD-UHFFFAOYSA-N -1 0 396.509 3.551 50 0 GHAARM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2s1 ZINC000033007552 570620794 /nfs/dbraw/zinc/62/07/94/570620794.db2.gz KVFIYQARPCYAOW-UHFFFAOYSA-N -1 0 379.438 3.585 50 0 GHAARM O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCCCC1)cn2Cc1ccccc1 ZINC000036354754 570636006 /nfs/dbraw/zinc/63/60/06/570636006.db2.gz NUSWLXHLGSJUQK-OAQYLSRUSA-N -1 0 392.455 3.999 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H](O)c3ccccn3)ccc2C)c(F)c1 ZINC000241213364 570685882 /nfs/dbraw/zinc/68/58/82/570685882.db2.gz KOICSEZBSRRYCH-FQEVSTJZSA-N -1 0 386.448 3.720 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)n(C2CCCC2)n1 ZINC000032609638 570690052 /nfs/dbraw/zinc/69/00/52/570690052.db2.gz JIHLKBSZHIWKPJ-UHFFFAOYSA-N -1 0 384.299 3.870 50 0 GHAARM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000001125625 570712077 /nfs/dbraw/zinc/71/20/77/570712077.db2.gz PDTYWANHNYVVGY-LBPRGKRZSA-N -1 0 386.473 3.997 50 0 GHAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000065183849 570722369 /nfs/dbraw/zinc/72/23/69/570722369.db2.gz GBLHOLZSGVBKGJ-UHFFFAOYSA-N -1 0 384.914 3.985 50 0 GHAARM Cc1c(-c2nnc(C3CCC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000065186581 570724656 /nfs/dbraw/zinc/72/46/56/570724656.db2.gz ZUKBDGKONHCEQX-UHFFFAOYSA-N -1 0 386.477 3.760 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246300 570747085 /nfs/dbraw/zinc/74/70/85/570747085.db2.gz ROFIUIJOLHYOJS-UHFFFAOYSA-N -1 0 377.422 3.571 50 0 GHAARM Cc1ccc2nc(-c3ccc(NC(=O)Cc4sc(N)nc4O)cc3)sc2c1 ZINC000005815204 570786461 /nfs/dbraw/zinc/78/64/61/570786461.db2.gz GPXDJKACFKJJKD-OAHLLOKOSA-N -1 0 396.497 3.557 50 0 GHAARM CCCn1c(=O)c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[n-]c1=S ZINC000004657995 570809239 /nfs/dbraw/zinc/80/92/39/570809239.db2.gz YSSBICRQNFJJFK-UHFFFAOYSA-N -1 0 397.544 3.794 50 0 GHAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1cccs1 ZINC000102810611 570864922 /nfs/dbraw/zinc/86/49/22/570864922.db2.gz SENZBXYBAXBIOH-INIZCTEOSA-N -1 0 394.456 3.743 50 0 GHAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(=O)c3cccc4ccccc43)cc2)N1 ZINC000004556448 570883090 /nfs/dbraw/zinc/88/30/90/570883090.db2.gz KRLDULOSHQRRFI-MOPGFXCFSA-N -1 0 379.437 3.847 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(Br)cc4)c=3c2=O)c1 ZINC000023125747 570910045 /nfs/dbraw/zinc/91/00/45/570910045.db2.gz HQDVQKPLHVRCNH-HZPDHXFCSA-N -1 0 399.248 3.564 50 0 GHAARM Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000001282188 570931682 /nfs/dbraw/zinc/93/16/82/570931682.db2.gz FVVVKJPEVITNHB-UHFFFAOYSA-N -1 0 380.473 3.900 50 0 GHAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CCOCC1 ZINC000226780402 570936400 /nfs/dbraw/zinc/93/64/00/570936400.db2.gz PZUBEHIUKREFNJ-UHFFFAOYSA-N -1 0 381.428 3.501 50 0 GHAARM O=C(c1ccccc1Br)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000004163589 570968305 /nfs/dbraw/zinc/96/83/05/570968305.db2.gz GJIJAWMNSQXSRY-YGRLFVJLSA-N -1 0 391.187 3.702 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000007726644 571024484 /nfs/dbraw/zinc/02/44/84/571024484.db2.gz HMVXKBSCFFCQRO-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(F)c1 ZINC000007729028 571024660 /nfs/dbraw/zinc/02/46/60/571024660.db2.gz FQSCMLRHYYVPLO-UHFFFAOYSA-N -1 0 385.342 3.831 50 0 GHAARM O=C([O-])C1CCN(C(=O)Nc2ccnc(Oc3ccccc3Cl)c2)CC1 ZINC000262986380 597181309 /nfs/dbraw/zinc/18/13/09/597181309.db2.gz CUVRYXKZCYUCCG-UHFFFAOYSA-N -1 0 375.812 3.856 50 0 GHAARM COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000299749689 600035793 /nfs/dbraw/zinc/03/57/93/600035793.db2.gz LIRHEEIBZKTAGH-IBGZPJMESA-N -1 0 383.444 3.698 50 0 GHAARM C/C(=C/C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000236618696 600966182 /nfs/dbraw/zinc/96/61/82/600966182.db2.gz IFOJBBUBFXKOQF-SEYXRHQNSA-N -1 0 385.382 3.591 50 0 GHAARM Cc1ccc(C)c(-n2cc(CN(C)Cc3n[nH]c(=O)[n-]3)c(-c3ccccc3)n2)c1 ZINC000023340293 836653715 /nfs/dbraw/zinc/65/37/15/836653715.db2.gz WBSAOBWILHFTGS-UHFFFAOYSA-N -1 0 388.475 3.612 50 0 GHAARM Cc1cccc(C)c1NC(=S)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000254463237 842895973 /nfs/dbraw/zinc/89/59/73/842895973.db2.gz MKPXSEOADIKLIY-UHFFFAOYSA-N -1 0 378.841 3.891 50 0 GHAARM CCC(=NNC(=O)COc1ccc(C#N)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000254834808 843021607 /nfs/dbraw/zinc/02/16/07/843021607.db2.gz RXFNEOUWRDCBJC-UHFFFAOYSA-N -1 0 392.242 3.880 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 ZINC000057616321 862194715 /nfs/dbraw/zinc/19/47/15/862194715.db2.gz FURVIZLZTGZLSK-UHFFFAOYSA-N -1 0 377.506 3.731 50 0 GHAARM COc1cc(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1OC ZINC000254500165 852522636 /nfs/dbraw/zinc/52/26/36/852522636.db2.gz BZDRPYIYXFLMLN-UHFFFAOYSA-N -1 0 378.812 3.900 50 0 GHAARM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000031720074 862666581 /nfs/dbraw/zinc/66/65/81/862666581.db2.gz LIKFVQTZLSJPAS-UHFFFAOYSA-N -1 0 387.244 3.751 50 0 GHAARM O=S(=O)([N-]c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Cl ZINC000031721758 862668286 /nfs/dbraw/zinc/66/82/86/862668286.db2.gz PRLSEZHUIAGIMB-UHFFFAOYSA-N -1 0 399.921 3.857 50 0 GHAARM Cc1ccc(C2=Nn3c(Cc4ccc(F)cc4)nnc3S[C@@H]2CC(=O)[O-])cc1 ZINC000008391871 856188205 /nfs/dbraw/zinc/18/82/05/856188205.db2.gz IEHXCRJMJUVNBZ-MRXNPFEDSA-N -1 0 396.447 3.518 50 0 GHAARM C[C@@H](Nc1nc(Nc2ccccc2F)nc(Nc2ccccc2F)n1)C(=O)[O-] ZINC000008569832 856265423 /nfs/dbraw/zinc/26/54/23/856265423.db2.gz VJDJUEYXSZXYNP-SNVBAGLBSA-N -1 0 386.362 3.522 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCCC1 ZINC000009684404 857304837 /nfs/dbraw/zinc/30/48/37/857304837.db2.gz DCVUHMLCUHOODJ-UHFFFAOYSA-N -1 0 389.521 3.621 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1C(=O)N1CCCC1 ZINC000009684224 857305078 /nfs/dbraw/zinc/30/50/78/857305078.db2.gz ISAYEVMKGHDRFS-UHFFFAOYSA-N -1 0 389.521 3.792 50 0 GHAARM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150974 857452193 /nfs/dbraw/zinc/45/21/93/857452193.db2.gz JSHMIHINSGOWJM-IRXDYDNUSA-N -1 0 378.428 3.853 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1 ZINC000004317371 862957726 /nfs/dbraw/zinc/95/77/26/862957726.db2.gz NKIXPAQKZKSGMK-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM O=C([O-])CCc1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 ZINC000525979057 859985184 /nfs/dbraw/zinc/98/51/84/859985184.db2.gz JADYNRSCGRSCMG-UHFFFAOYSA-N -1 0 376.412 3.930 50 0 GHAARM Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000057312343 860184868 /nfs/dbraw/zinc/18/48/68/860184868.db2.gz QIZQIPIWBKNXQT-PMFHANACSA-N -1 0 397.402 3.505 50 0 GHAARM O=C([O-])c1nn(CC(=O)c2ccc3c(c2)-c2ccccc2C3)c(=O)c2ccccc21 ZINC000007786113 882150593 /nfs/dbraw/zinc/15/05/93/882150593.db2.gz SIPVKRMGECWLAW-UHFFFAOYSA-N -1 0 396.402 3.549 50 0 GHAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCc2cc(Cl)ccc2C1 ZINC000191482684 894891226 /nfs/dbraw/zinc/89/12/26/894891226.db2.gz SJJPYUUAZVSPOA-UHFFFAOYSA-N -1 0 399.299 3.563 50 0 GHAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(F)cccc3Cl)ccc21 ZINC000126577798 916594752 /nfs/dbraw/zinc/59/47/52/916594752.db2.gz QOFJBKQNVIMLHE-UHFFFAOYSA-N -1 0 382.844 3.579 50 0 GHAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)nn1 ZINC000017286397 210207135 /nfs/dbraw/zinc/20/71/35/210207135.db2.gz RLFBHFPMRYGRTL-UHFFFAOYSA-N -1 0 387.436 3.872 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017080224 210202249 /nfs/dbraw/zinc/20/22/49/210202249.db2.gz QIKUMAPRWNUQBR-CABCVRRESA-N -1 0 392.521 3.867 50 0 GHAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000014632475 210123604 /nfs/dbraw/zinc/12/36/04/210123604.db2.gz INOVDGQOSGBMLA-GWCFXTLKSA-N -1 0 376.236 3.835 50 0 GHAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1F ZINC000013348778 210058226 /nfs/dbraw/zinc/05/82/26/210058226.db2.gz YPOJHCCWDDPAQK-UHFFFAOYSA-N -1 0 394.453 3.759 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013251074 210055719 /nfs/dbraw/zinc/05/57/19/210055719.db2.gz YATDCRZPFLHHPE-CQSZACIVSA-N -1 0 375.446 3.739 50 0 GHAARM CC(C)NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361422 210059821 /nfs/dbraw/zinc/05/98/21/210059821.db2.gz RLMSFCRUYKCOKA-UHFFFAOYSA-N -1 0 390.490 3.627 50 0 GHAARM O=C([O-])c1cc(-c2cnn(Cc3ccccc3)c2)nc2cc3c(cc21)OCCO3 ZINC000012941595 210034024 /nfs/dbraw/zinc/03/40/24/210034024.db2.gz WRFYABKULVHBRU-UHFFFAOYSA-N -1 0 387.395 3.616 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1ccc(Cl)s1 ZINC000006581585 209658246 /nfs/dbraw/zinc/65/82/46/209658246.db2.gz PZNCQMDTMRHOAI-UHFFFAOYSA-N -1 0 394.909 3.746 50 0 GHAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)c(Cl)c1F ZINC000005927400 209621356 /nfs/dbraw/zinc/62/13/56/209621356.db2.gz LVSSEKCASVZJMB-UHFFFAOYSA-N -1 0 393.770 3.735 50 0 GHAARM COC(=O)c1sccc1Oc1ccc(Cl)cc1NC(=O)/C=C/C(=O)[O-] ZINC000004324114 209478545 /nfs/dbraw/zinc/47/85/45/209478545.db2.gz PKABTODTHGKBFD-SNAWJCMRSA-N -1 0 381.793 3.560 50 0 GHAARM CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)on2)c(C(=O)OCC)c1C ZINC000002498035 209368546 /nfs/dbraw/zinc/36/85/46/209368546.db2.gz KRYVICCRYQCKNF-UHFFFAOYSA-N -1 0 394.449 3.774 50 0 GHAARM Cc1cc(C(=O)C(F)(F)F)c(C)n1[C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000002510553 209367619 /nfs/dbraw/zinc/36/76/19/209367619.db2.gz GRFCEVFADPCWID-CYBMUJFWSA-N -1 0 383.322 3.643 50 0 GHAARM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000002460313 209364692 /nfs/dbraw/zinc/36/46/92/209364692.db2.gz OJNZAMGGMHYSDH-ZIAGYGMSSA-N -1 0 378.519 3.667 50 0 GHAARM CCCOC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 ZINC000002762082 209382595 /nfs/dbraw/zinc/38/25/95/209382595.db2.gz DOUAKBSRWKOBFT-UHFFFAOYSA-N -1 0 383.466 3.744 50 0 GHAARM Cc1ccnn1Cc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002730852 209379629 /nfs/dbraw/zinc/37/96/29/209379629.db2.gz LAAWCBFQLQWDJG-UHFFFAOYSA-N -1 0 385.884 3.733 50 0 GHAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000002391152 209361859 /nfs/dbraw/zinc/36/18/59/209361859.db2.gz MRYIHKCPPKHOPJ-AWEZNQCLSA-N -1 0 381.425 3.521 50 0 GHAARM O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000001467671 209329480 /nfs/dbraw/zinc/32/94/80/209329480.db2.gz AULWWVPUFKLSPN-UHFFFAOYSA-N -1 0 388.493 3.576 50 0 GHAARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CC1 ZINC000001163855 209309186 /nfs/dbraw/zinc/30/91/86/209309186.db2.gz SKYSMFIOFQXOQA-YBFXNURJSA-N -1 0 393.512 3.888 50 0 GHAARM CN(C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000001051307 209294101 /nfs/dbraw/zinc/29/41/01/209294101.db2.gz QFWFOAATDWZGLO-RTBURBONSA-N -1 0 378.428 3.569 50 0 GHAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1cccnc1 ZINC000001041559 209292923 /nfs/dbraw/zinc/29/29/23/209292923.db2.gz XSBGREUPZKIBNU-UXHICEINSA-N -1 0 376.387 3.786 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccccc1C(=O)[O-] ZINC000000711990 209261931 /nfs/dbraw/zinc/26/19/31/209261931.db2.gz OVASFDIKJMKNRQ-UHFFFAOYSA-N -1 0 393.486 3.971 50 0 GHAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005533661 209230730 /nfs/dbraw/zinc/23/07/30/209230730.db2.gz AYAKDXHPTOEADO-UHFFFAOYSA-N -1 0 381.453 3.776 50 0 GHAARM Cn1c2ccccc2c([O-])c(C(=O)N[C@@H]2CCCc3c4ccccc4[nH]c32)c1=O ZINC000253413727 209219838 /nfs/dbraw/zinc/21/98/38/209219838.db2.gz VNRPBDGJZQLDBG-QGZVFWFLSA-N -1 0 387.439 3.533 50 0 biogenic GHAARM O=C([O-])COc1ccc(-c2csc3ccccc32)cc1CN1CCOCC1 ZINC000299793399 212039442 /nfs/dbraw/zinc/03/94/42/212039442.db2.gz ITMCKCSQEJNHJF-UHFFFAOYSA-N -1 0 383.469 3.864 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1Br)CC3 ZINC000097993527 211970542 /nfs/dbraw/zinc/97/05/42/211970542.db2.gz KFUPTKHCLQUXND-XFXZXTDPSA-N -1 0 397.228 3.802 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1F ZINC000101260569 211396848 /nfs/dbraw/zinc/39/68/48/211396848.db2.gz YRJWCHUSEKAYJA-LSDHHAIUSA-N -1 0 392.312 3.651 50 0 GHAARM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000096930714 211353169 /nfs/dbraw/zinc/35/31/69/211353169.db2.gz WBODAHXZXABZHF-YHYXMXQVSA-N -1 0 383.828 3.856 50 0 GHAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)n1 ZINC000096379761 211337945 /nfs/dbraw/zinc/33/79/45/211337945.db2.gz QKEDAOLJOCWEHA-UHFFFAOYSA-N -1 0 384.820 3.583 50 0 GHAARM Cc1oc2c(c1C(=O)N1CCC[C@H](c3cccc(C(=O)[O-])c3)C1)C(=O)CCC2 ZINC000095367105 211228397 /nfs/dbraw/zinc/22/83/97/211228397.db2.gz XJHKTGGSYWJJQK-INIZCTEOSA-N -1 0 381.428 3.825 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000089851359 211184954 /nfs/dbraw/zinc/18/49/54/211184954.db2.gz NLUUNISRAMDIPK-QGZVFWFLSA-N -1 0 377.400 3.802 50 0 GHAARM CC[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCC(=O)N1Cc1ccccc1 ZINC000071764364 211059726 /nfs/dbraw/zinc/05/97/26/211059726.db2.gz SAKNYZJBNVCTDJ-QGZVFWFLSA-N -1 0 386.879 3.699 50 0 GHAARM CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccccc2C(=O)[O-])nc1 ZINC000067740284 211018486 /nfs/dbraw/zinc/01/84/86/211018486.db2.gz XWNRHVCTRIJIGU-UHFFFAOYSA-N -1 0 392.459 3.587 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccccc3C)c(C)n2CC)o1 ZINC000065186594 210974597 /nfs/dbraw/zinc/97/45/97/210974597.db2.gz LOLLTWFLLPZJFH-UHFFFAOYSA-N -1 0 388.493 3.846 50 0 GHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F)O[C@H](C)C2 ZINC000060442019 210929316 /nfs/dbraw/zinc/92/93/16/210929316.db2.gz YCBOZQLJJYCMRB-SECBINFHSA-N -1 0 387.379 3.627 50 0 GHAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)C1 ZINC000032090277 210570779 /nfs/dbraw/zinc/57/07/79/210570779.db2.gz LHAJQOHKKMMEAY-SNVBAGLBSA-N -1 0 399.299 3.983 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)cs2)cc1Cl ZINC000021701846 210388659 /nfs/dbraw/zinc/38/86/59/210388659.db2.gz VQYITTPAMBXKKY-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3cccc(Cl)c3C)c2=O)n1 ZINC000021802012 210394554 /nfs/dbraw/zinc/39/45/54/210394554.db2.gz BEAGMQBGAXZNSH-UHFFFAOYSA-N -1 0 376.869 3.794 50 0 GHAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000020722619 210357096 /nfs/dbraw/zinc/35/70/96/210357096.db2.gz ULTKJZDJWCEROB-QGZVFWFLSA-N -1 0 386.860 3.948 50 0 GHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000020614597 210352806 /nfs/dbraw/zinc/35/28/06/210352806.db2.gz JKAGPEPVVZURPS-UHFFFAOYSA-N -1 0 397.243 3.801 50 0 GHAARM CCCCCCNC(CC)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020290335 210326605 /nfs/dbraw/zinc/32/66/05/210326605.db2.gz IOXKESBOFGGKNV-FOCLMDBBSA-N -1 0 377.872 3.757 50 0 GHAARM Cc1cccc(OCC(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000064589192 136157139 /nfs/dbraw/zinc/15/71/39/136157139.db2.gz ZAGKPLKUCBEBAG-MRXNPFEDSA-N -1 0 382.460 3.947 50 0 GHAARM CC(C)(C)n1cc(C(=O)N2CCC(C(=O)[O-])CC2)c(-c2ccc(F)cc2F)n1 ZINC000236774742 519147455 /nfs/dbraw/zinc/14/74/55/519147455.db2.gz TXKFXVULNGGMBF-UHFFFAOYSA-N -1 0 391.418 3.520 50 0 GHAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1OC)c2=O ZINC000003043676 529373081 /nfs/dbraw/zinc/37/30/81/529373081.db2.gz NLNWFFBIDFUUHZ-CYBMUJFWSA-N -1 0 397.500 3.644 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2)c1 ZINC000048230379 570223647 /nfs/dbraw/zinc/22/36/47/570223647.db2.gz CTNVZPMOYZQEJC-UHFFFAOYSA-N -1 0 392.440 3.926 50 0 GHAARM COc1cccc([C@H]2C[C@H]2C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237329746 570233695 /nfs/dbraw/zinc/23/36/95/570233695.db2.gz DAGHITQGASCTTN-IAGOWNOFSA-N -1 0 389.398 3.580 50 0 GHAARM Cc1cc(C)nc([N-]c2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)n1 ZINC000049032291 570261354 /nfs/dbraw/zinc/26/13/54/570261354.db2.gz JZOGVDNAQXYWMO-UHFFFAOYSA-N -1 0 392.488 3.747 50 0 GHAARM O=c1c(N=Nc2ccc3c(c2)OCO3)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000245267010 570285351 /nfs/dbraw/zinc/28/53/51/570285351.db2.gz LCZVHNJDPCUOOX-UHFFFAOYSA-N -1 0 384.395 3.634 50 0 GHAARM CCOc1c(I)cc(C(=O)[O-])cc1OCc1ccccc1 ZINC000004419137 570374805 /nfs/dbraw/zinc/37/48/05/570374805.db2.gz AOLTVMBGRNDSJQ-UHFFFAOYSA-N -1 0 398.196 3.967 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237644091 570386914 /nfs/dbraw/zinc/38/69/14/570386914.db2.gz DTUDKMCCSOFOBI-GOSISDBHSA-N -1 0 394.880 3.621 50 0 GHAARM Cc1ccc2c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c[nH]c2c1 ZINC000237813593 570400685 /nfs/dbraw/zinc/40/06/85/570400685.db2.gz YWZGUKXKFXMQRN-UHFFFAOYSA-N -1 0 376.456 3.664 50 0 GHAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(C)cc2)cc1 ZINC000004834793 570409820 /nfs/dbraw/zinc/40/98/20/570409820.db2.gz CRNLZGCKULSAOE-UHFFFAOYSA-N -1 0 378.428 3.873 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000237968802 570417703 /nfs/dbraw/zinc/41/77/03/570417703.db2.gz OQFQGBBGNYDUBX-JTQLQIEISA-N -1 0 397.244 3.787 50 0 GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccc(Br)cc3[nH]2)C1 ZINC000237969096 570417756 /nfs/dbraw/zinc/41/77/56/570417756.db2.gz JBSZLWVXXACBSW-NSHDSACASA-N -1 0 379.254 3.647 50 0 GHAARM COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C(=O)[O-])cc1OC ZINC000005049324 570426246 /nfs/dbraw/zinc/42/62/46/570426246.db2.gz LJKOYFVJRBCGKT-UHFFFAOYSA-N -1 0 393.823 3.690 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nnc(C)n4n3)cc2)s1 ZINC000005150860 570428522 /nfs/dbraw/zinc/42/85/22/570428522.db2.gz IDHCCDTWUJSQPA-UHFFFAOYSA-N -1 0 399.501 3.524 50 0 GHAARM O=C([O-])[C@H](Cc1ccc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044320347 570430528 /nfs/dbraw/zinc/43/05/28/570430528.db2.gz DGKRTFFSECGNCF-FQEVSTJZSA-N -1 0 376.412 3.549 50 0 GHAARM O=C([O-])[C@@H](Cc1ccc[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044320348 570430659 /nfs/dbraw/zinc/43/06/59/570430659.db2.gz DGKRTFFSECGNCF-HXUWFJFHSA-N -1 0 376.412 3.549 50 0 GHAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl ZINC000044330256 570436625 /nfs/dbraw/zinc/43/66/25/570436625.db2.gz VDGVDIFQGYCXJV-UHFFFAOYSA-N -1 0 378.208 3.720 50 0 GHAARM O=c1[n-]c(Nc2ccc(Br)cc2)nnc1Cc1ccc(Cl)cc1 ZINC000006722001 570490324 /nfs/dbraw/zinc/49/03/24/570490324.db2.gz MSOJDESGKGBJEO-UHFFFAOYSA-N -1 0 391.656 3.915 50 0 GHAARM Cn1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cn1 ZINC000061719756 570502571 /nfs/dbraw/zinc/50/25/71/570502571.db2.gz DARIPYZAKXKBBI-LBPRGKRZSA-N -1 0 387.848 3.974 50 0 GHAARM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274552 570523377 /nfs/dbraw/zinc/52/33/77/570523377.db2.gz WWZAADLZSIMWFM-AWEZNQCLSA-N -1 0 390.480 3.573 50 0 GHAARM O=C([O-])c1cccc(CCNC(=O)[C@H](Oc2ccccc2)c2ccccc2)c1 ZINC000225553011 570587479 /nfs/dbraw/zinc/58/74/79/570587479.db2.gz AQQNQIWUZIIKBE-OAQYLSRUSA-N -1 0 375.424 3.864 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920309 570591071 /nfs/dbraw/zinc/59/10/71/570591071.db2.gz FILJNBHBCRFWRG-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c(OC)c1 ZINC000065003740 570643927 /nfs/dbraw/zinc/64/39/27/570643927.db2.gz ITFUILJLWZBESX-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000004602412 570657481 /nfs/dbraw/zinc/65/74/81/570657481.db2.gz WNQHTLLLSUJUCZ-QGZVFWFLSA-N -1 0 385.460 3.947 50 0 GHAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(NC2CCCCC2)cc1Cl ZINC000004616485 570674126 /nfs/dbraw/zinc/67/41/26/570674126.db2.gz LTABLNLOJTWJSN-UHFFFAOYSA-N -1 0 388.917 3.813 50 0 GHAARM O=C([O-])CO[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000685945091 570675857 /nfs/dbraw/zinc/67/58/57/570675857.db2.gz UFOXWUUEUQVHLJ-HNNXBMFYSA-N -1 0 381.428 3.501 50 0 GHAARM O=C(Nc1cccc(Br)c1)c1c[n-]c2cc(F)cc(F)c2c1=O ZINC000032608153 570678736 /nfs/dbraw/zinc/67/87/36/570678736.db2.gz DAIVQFYWPWOKSM-UHFFFAOYSA-N -1 0 379.160 3.821 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000012630736 570693380 /nfs/dbraw/zinc/69/33/80/570693380.db2.gz CEOVFYHFVDEOKZ-UHFFFAOYSA-N -1 0 395.527 3.973 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(Cl)cc21 ZINC000006919512 570704548 /nfs/dbraw/zinc/70/45/48/570704548.db2.gz DURNFLCRXIAYTB-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM COc1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)c1 ZINC000065150465 570711592 /nfs/dbraw/zinc/71/15/92/570711592.db2.gz RPWXOPUXNUNTMD-SNVBAGLBSA-N -1 0 384.457 3.681 50 0 GHAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)s1 ZINC000065183669 570722577 /nfs/dbraw/zinc/72/25/77/570722577.db2.gz GBAKMNFNNSEVJH-UHFFFAOYSA-N -1 0 390.412 3.536 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2C)o1 ZINC000065194079 570725687 /nfs/dbraw/zinc/72/56/87/570725687.db2.gz QDDJXRJOIDKEEE-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCCC(=O)[O-])cc1 ZINC000000916904 570725980 /nfs/dbraw/zinc/72/59/80/570725980.db2.gz UWKMQYXNJSLVTC-UHFFFAOYSA-N -1 0 399.472 3.730 50 0 GHAARM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c2ccccc12 ZINC000252494246 570728871 /nfs/dbraw/zinc/72/88/71/570728871.db2.gz NPJWBRQPGBPALI-UHFFFAOYSA-N -1 0 384.457 3.528 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246454 570747633 /nfs/dbraw/zinc/74/76/33/570747633.db2.gz YCBKBFHNMTYACY-UHFFFAOYSA-N -1 0 389.433 3.797 50 0 GHAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4cccc(C)c4)no2)c3[O-])cc1 ZINC000065256950 570755595 /nfs/dbraw/zinc/75/55/95/570755595.db2.gz SVRVBSRSWSALBS-UHFFFAOYSA-N -1 0 399.410 3.753 50 0 GHAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(Br)s1 ZINC000005985619 570811897 /nfs/dbraw/zinc/81/18/97/570811897.db2.gz ZXHRJQWQHIFTEW-UHFFFAOYSA-N -1 0 384.223 3.913 50 0 GHAARM O=C(Nc1ccc(F)cc1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722353 570829985 /nfs/dbraw/zinc/82/99/85/570829985.db2.gz LOWZAHQYIOSCMC-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722427 570830021 /nfs/dbraw/zinc/83/00/21/570830021.db2.gz XFCUKHQNNAWHSN-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000101723224 570830198 /nfs/dbraw/zinc/83/01/98/570830198.db2.gz DYWOSPWCGYMNTG-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)nn1Cc1ccc(Cl)cc1 ZINC000014222258 570831065 /nfs/dbraw/zinc/83/10/65/570831065.db2.gz TXOPKZVWCCPPBQ-UHFFFAOYSA-N -1 0 397.834 3.972 50 0 GHAARM CCOc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000101831587 570836232 /nfs/dbraw/zinc/83/62/32/570836232.db2.gz BXJPMXROPUCFGC-UHFFFAOYSA-N -1 0 386.477 3.540 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F ZINC000065585838 570837456 /nfs/dbraw/zinc/83/74/56/570837456.db2.gz UBJNTMISDPDNNT-UHFFFAOYSA-N -1 0 388.200 3.832 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007402550 570837775 /nfs/dbraw/zinc/83/77/75/570837775.db2.gz WLGFDUWIYIVLSM-UHFFFAOYSA-N -1 0 376.659 3.912 50 0 GHAARM COc1cccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccc(C)cc3)c2=O)c1 ZINC000007424118 570841362 /nfs/dbraw/zinc/84/13/62/570841362.db2.gz MGSHCCRXDKPFNU-UHFFFAOYSA-N -1 0 388.427 3.592 50 0 GHAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccccc2OC)cc1 ZINC000003274122 570847081 /nfs/dbraw/zinc/84/70/81/570847081.db2.gz DDRCDJUHTYKTEG-UHFFFAOYSA-N -1 0 394.427 3.573 50 0 GHAARM CCn1c2ccccc2c2cc(NC(=O)c3c[n-]n4c3nc(C)cc4=O)ccc21 ZINC000102522870 570851785 /nfs/dbraw/zinc/85/17/85/570851785.db2.gz HHWVPLXPPFHYIQ-UHFFFAOYSA-N -1 0 385.427 3.711 50 0 GHAARM C[C@@H](CC(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000170597622 570855606 /nfs/dbraw/zinc/85/56/06/570855606.db2.gz VCBJECIKFGBQGA-GTNSWQLSSA-N -1 0 379.867 3.804 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)cc1 ZINC000102901263 570871044 /nfs/dbraw/zinc/87/10/44/570871044.db2.gz FZKADKVPNBJFHS-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM Cc1cc(-c2ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc2)nc2ccccc12 ZINC000012609159 570889910 /nfs/dbraw/zinc/88/99/10/570889910.db2.gz HNXZZMXFEYCNGL-UHFFFAOYSA-N -1 0 398.484 3.696 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccncc2)ccc1F ZINC000012736472 570979671 /nfs/dbraw/zinc/97/96/71/570979671.db2.gz LTRZEFZHTLWCQJ-UHFFFAOYSA-N -1 0 385.420 3.582 50 0 GHAARM C[C@@H]1CCCC[C@@H]1NC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925477 861799851 /nfs/dbraw/zinc/79/98/51/861799851.db2.gz MVTMKEGACGXMGE-OLZOCXBDSA-N -1 0 379.551 3.986 50 0 GHAARM CCOc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(OC)cc2)cc1 ZINC000195803386 849845864 /nfs/dbraw/zinc/84/58/64/849845864.db2.gz QBBVWMQISYUMNU-UHFFFAOYSA-N -1 0 385.445 3.518 50 0 GHAARM O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cc(Cl)ccc1O ZINC000032096326 862810896 /nfs/dbraw/zinc/81/08/96/862810896.db2.gz DAFDRTQTMBJDTJ-UHFFFAOYSA-N -1 0 385.851 3.955 50 0 GHAARM COc1ccc(-c2nnc([N-]c3nc4cc5c(cc4s3)OCO5)o2)c(OC)c1 ZINC000004137834 862818122 /nfs/dbraw/zinc/81/81/22/862818122.db2.gz BEBYMLJUAUJUTL-UHFFFAOYSA-N -1 0 398.400 3.836 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000009009582 856697630 /nfs/dbraw/zinc/69/76/30/856697630.db2.gz FDGFVGHNZNBHDH-DYESRHJHSA-N -1 0 395.846 3.975 50 0 GHAARM CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000040266990 856717148 /nfs/dbraw/zinc/71/71/48/856717148.db2.gz QHBAEZCMZUCPRI-AWEZNQCLSA-N -1 0 387.288 3.885 50 0 GHAARM CS(=O)(=O)C1=N[N-]c2c(-c3ccc(Cl)cc3)cnn2[C@@H]1c1ccccc1 ZINC000618256622 859971715 /nfs/dbraw/zinc/97/17/15/859971715.db2.gz KCRQFWAFMLULCV-MRXNPFEDSA-N -1 0 386.864 3.577 50 0 GHAARM COCC1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000400203795 860452411 /nfs/dbraw/zinc/45/24/11/860452411.db2.gz IVTIXMBFVKARIW-UHFFFAOYSA-N -1 0 395.455 3.749 50 0 GHAARM CCCOc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000199910800 864771977 /nfs/dbraw/zinc/77/19/77/864771977.db2.gz BDKGWVTYFIJZTC-CYBMUJFWSA-N -1 0 378.428 3.865 50 0 GHAARM COC1([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CCC1 ZINC000521396608 865037947 /nfs/dbraw/zinc/03/79/47/865037947.db2.gz RVWCVNQNJUZGPJ-LJQANCHMSA-N -1 0 381.428 3.547 50 0 GHAARM CC(C)Cc1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1COC(C)(C)C2 ZINC000002219984 883104360 /nfs/dbraw/zinc/10/43/60/883104360.db2.gz WZFWLAPRKMAPNY-UHFFFAOYSA-N -1 0 375.519 3.871 50 0 GHAARM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@H]1C(=O)[O-] ZINC000630569132 903449618 /nfs/dbraw/zinc/44/96/18/903449618.db2.gz VUROMXUTMKBGSW-DGCLKSJQSA-N -1 0 391.374 3.727 50 0 GHAARM CCCC1CCC(N(C)C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1 ZINC000192268583 904333115 /nfs/dbraw/zinc/33/31/15/904333115.db2.gz ROHPKYQKLXFTTB-UHFFFAOYSA-N -1 0 396.535 3.890 50 0 GHAARM Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000012357559 230878463 /nfs/dbraw/zinc/87/84/63/230878463.db2.gz GZOVZELTPKDNLF-RMKNXTFCSA-N -1 0 390.233 3.873 50 0 GHAARM CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001513036 212248597 /nfs/dbraw/zinc/24/85/97/212248597.db2.gz PSYPPCSTOSQPLH-MRXNPFEDSA-N -1 0 380.429 3.852 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000001240607 212232346 /nfs/dbraw/zinc/23/23/46/212232346.db2.gz DKVLEGFQYDRYOZ-UHFFFAOYSA-N -1 0 387.233 3.742 50 0 GHAARM CCOc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)OC)CCCC3)cc1 ZINC000001128252 212221105 /nfs/dbraw/zinc/22/11/05/212221105.db2.gz HLZQVGCQUUPRDQ-UHFFFAOYSA-N -1 0 395.502 3.613 50 0 GHAARM CSc1[nH]nc([N-]S(=O)(=O)c2ccccc2Cl)c1-c1ccccn1 ZINC000001041363 212209000 /nfs/dbraw/zinc/20/90/00/212209000.db2.gz IYHJFJNEIZFSLD-UHFFFAOYSA-N -1 0 380.882 3.648 50 0 GHAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4o3)cc1)C2=O ZINC000001054593 212211457 /nfs/dbraw/zinc/21/14/57/212211457.db2.gz AQPJGVGTFZRQCQ-UHFFFAOYSA-N -1 0 384.347 3.994 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1C ZINC000000941891 212196772 /nfs/dbraw/zinc/19/67/72/212196772.db2.gz RVYLXHNPDNGNAS-UHFFFAOYSA-N -1 0 385.445 3.653 50 0 GHAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc(F)cc2)NC(=O)c2ccco2)cc1 ZINC000000915758 212195195 /nfs/dbraw/zinc/19/51/95/212195195.db2.gz FETJRGDFXSXKBV-SFQUDFHCSA-N -1 0 394.358 3.527 50 0 GHAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccccc1 ZINC000000754762 212178909 /nfs/dbraw/zinc/17/89/09/212178909.db2.gz KLSNECTWBZBEPH-ZSTXGWIISA-N -1 0 383.447 3.911 50 0 GHAARM COc1cccc(C(=O)N2[C@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)c1 ZINC000000729681 212177684 /nfs/dbraw/zinc/17/76/84/212177684.db2.gz FVPGLRWDDAAXCV-RDJZCZTQSA-N -1 0 377.849 3.690 50 0 GHAARM Cc1coc2c1cc1c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc1c2C ZINC000002098213 220503026 /nfs/dbraw/zinc/50/30/26/220503026.db2.gz XUTSQALHFXZMCW-UHFFFAOYSA-N -1 0 399.443 3.768 50 0 biogenic GHAARM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)OC3)cc1OC ZINC000002779447 220564820 /nfs/dbraw/zinc/56/48/20/220564820.db2.gz BGWIYNOSFPSWQD-UHFFFAOYSA-N -1 0 391.445 3.567 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(Br)c1)C(=O)[O-] ZINC000004241007 220696701 /nfs/dbraw/zinc/69/67/01/220696701.db2.gz DSGWYYBWPWHDEU-KRWDZBQOSA-N -1 0 384.270 3.846 50 0 GHAARM O=S1(=O)[N-]C(SCc2ccc(Br)cc2)=Nc2ccccc21 ZINC000004329618 220707030 /nfs/dbraw/zinc/70/70/30/220707030.db2.gz SYBHSINOLWCWMC-UHFFFAOYSA-N -1 0 383.292 3.853 50 0 GHAARM CC(C)n1nc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c2ccccc2c1=O ZINC000008274319 221033838 /nfs/dbraw/zinc/03/38/38/221033838.db2.gz WPOSYCSLJVQXJP-UHFFFAOYSA-N -1 0 385.807 3.581 50 0 GHAARM Cc1ccc(C2=Nn3c(nnc3-c3ccccc3F)S[C@@H]2CC(=O)[O-])cc1 ZINC000008391812 221039684 /nfs/dbraw/zinc/03/96/84/221039684.db2.gz JLVCDXOBIDZNIA-OAHLLOKOSA-N -1 0 382.420 3.594 50 0 GHAARM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000007987918 221020242 /nfs/dbraw/zinc/02/02/42/221020242.db2.gz NWBJUAQMAYNEOC-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2Cl)cc1 ZINC000009367481 221079213 /nfs/dbraw/zinc/07/92/13/221079213.db2.gz APMMJWRJUWDSTA-UHFFFAOYSA-N -1 0 394.880 3.888 50 0 GHAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nccc(C)n2)cc3=O)cc1 ZINC000009419220 221080682 /nfs/dbraw/zinc/08/06/82/221080682.db2.gz NNZNQXDXFDSBLX-UHFFFAOYSA-N -1 0 393.472 3.810 50 0 GHAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)N1CCCC1 ZINC000009684210 221088585 /nfs/dbraw/zinc/08/85/85/221088585.db2.gz HECYWRGGDVQMPQ-UHFFFAOYSA-N -1 0 389.521 3.539 50 0 GHAARM COc1ccc(-c2nc3c(nc(-c4ccc(OC)c(O)c4)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694751 221121255 /nfs/dbraw/zinc/12/12/55/221121255.db2.gz IEYPRIGXPFIRAM-UHFFFAOYSA-N -1 0 391.383 3.713 50 0 GHAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000012525801 221201360 /nfs/dbraw/zinc/20/13/60/221201360.db2.gz OTVVWUVFJSUETE-UHFFFAOYSA-N -1 0 389.351 3.547 50 0 GHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)cc1 ZINC000012557116 221206639 /nfs/dbraw/zinc/20/66/39/221206639.db2.gz PHXMUQCVMVNQTQ-UHFFFAOYSA-N -1 0 388.489 3.559 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000013349738 221266076 /nfs/dbraw/zinc/26/60/76/221266076.db2.gz RCVGIBSAVCKJPT-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013147450 221263343 /nfs/dbraw/zinc/26/33/43/221263343.db2.gz OFBJGKJMVMTULR-JRPNMDOOSA-N -1 0 392.912 3.657 50 0 GHAARM COc1ccc(C(=O)[C@H](Sc2nnc(C)c(=O)[n-]2)c2ccc(OC)cc2)cc1 ZINC000013598106 221277005 /nfs/dbraw/zinc/27/70/05/221277005.db2.gz OPGXGCXGAUCDNN-GOSISDBHSA-N -1 0 397.456 3.619 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])ccc1Br ZINC000013464616 221268784 /nfs/dbraw/zinc/26/87/84/221268784.db2.gz KWYFPKWWHBXHAJ-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM CC(C)C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862115 221349658 /nfs/dbraw/zinc/34/96/58/221349658.db2.gz OGIQUWBJSYDVBZ-UHFFFAOYSA-N -1 0 375.475 3.692 50 0 GHAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1cccs1 ZINC000017249127 221381771 /nfs/dbraw/zinc/38/17/71/221381771.db2.gz GCEVZWSXSWVMCX-UHFFFAOYSA-N -1 0 386.458 3.697 50 0 GHAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017077603 221377929 /nfs/dbraw/zinc/37/79/29/221377929.db2.gz MPUGRGRMKSPJKT-HBGGEXNNSA-N -1 0 379.478 3.563 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017080225 221378395 /nfs/dbraw/zinc/37/83/95/221378395.db2.gz QIKUMAPRWNUQBR-GJZGRUSLSA-N -1 0 392.521 3.867 50 0 GHAARM NC(=O)c1c(-c2cccs2)csc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000017080190 221378422 /nfs/dbraw/zinc/37/84/22/221378422.db2.gz GDYGOHCMWQWMQW-UHFFFAOYSA-N -1 0 392.502 3.939 50 0 GHAARM CCc1c(C)sc(NC(=O)CCC(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000017079634 221378452 /nfs/dbraw/zinc/37/84/52/221378452.db2.gz HVWTUTLOVOKFBK-UHFFFAOYSA-N -1 0 390.461 3.683 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)c(C)c2)s1 ZINC000005329870 136194699 /nfs/dbraw/zinc/19/46/99/136194699.db2.gz XUWPMDLVVFYPCE-UHFFFAOYSA-N -1 0 378.519 3.937 50 0 GHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2=O)c(C)c1 ZINC000005329841 136194767 /nfs/dbraw/zinc/19/47/67/136194767.db2.gz QJGISWVEDXCJMG-UHFFFAOYSA-N -1 0 388.489 3.630 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C)o3)cs2)cc1Cl ZINC000065098587 222100132 /nfs/dbraw/zinc/10/01/32/222100132.db2.gz POEPOLQVAWCMLE-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000065112547 222100692 /nfs/dbraw/zinc/10/06/92/222100692.db2.gz QOOUZDFLJMCTRT-UHFFFAOYSA-N -1 0 377.491 3.831 50 0 GHAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)n2C)o1 ZINC000065186513 222109048 /nfs/dbraw/zinc/10/90/48/222109048.db2.gz QPCFNFUDQVJFJZ-UHFFFAOYSA-N -1 0 388.493 3.672 50 0 GHAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)s2)o1 ZINC000064920062 222088436 /nfs/dbraw/zinc/08/84/36/222088436.db2.gz VGOGIPIGQQBANF-UHFFFAOYSA-N -1 0 389.380 3.926 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1F ZINC000065246414 222114466 /nfs/dbraw/zinc/11/44/66/222114466.db2.gz NVLYZXFOJLTNNV-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cn1 ZINC000071288836 222181110 /nfs/dbraw/zinc/18/11/10/222181110.db2.gz GMCSRGDJDOMTIM-UHFFFAOYSA-N -1 0 378.384 3.762 50 0 GHAARM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000071827918 222198911 /nfs/dbraw/zinc/19/89/11/222198911.db2.gz XUEBPBYVLKEAPJ-UKRRQHHQSA-N -1 0 387.361 3.883 50 0 GHAARM O=C([O-])C[C@H]1COCCN1Cc1ccccc1OCc1c(F)cccc1Cl ZINC000072164121 222214732 /nfs/dbraw/zinc/21/47/32/222214732.db2.gz QDCOGOYAZCIXDJ-HNNXBMFYSA-N -1 0 393.842 3.734 50 0 GHAARM CCOc1ccc(-c2ccnc(NCc3noc(C4CCC4)n3)n2)cc1C(=O)[O-] ZINC000077388537 222281584 /nfs/dbraw/zinc/28/15/84/222281584.db2.gz KWOVIRZVWXXNNJ-UHFFFAOYSA-N -1 0 395.419 3.503 50 0 GHAARM COc1cc(OC)cc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000095532093 222355051 /nfs/dbraw/zinc/35/50/51/222355051.db2.gz FTDBMULPGXAGKR-HXUWFJFHSA-N -1 0 396.443 3.636 50 0 GHAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301758 222470219 /nfs/dbraw/zinc/47/02/19/222470219.db2.gz GMYFXDINXHRXQA-UHFFFAOYSA-N -1 0 393.349 3.622 50 0 GHAARM CCOc1cc(C=NNc2ccc(Br)cc2)cc([N+](=O)[O-])c1[O-] ZINC000096469408 520647920 /nfs/dbraw/zinc/64/79/20/520647920.db2.gz WBNDAVXKGVEFGY-MFOYZWKCSA-N -1 0 380.198 3.908 50 0 GHAARM O=S(=O)(C=C([O-])c1ccc(Cl)s1)c1ccc(Br)cc1 ZINC000019849369 570225604 /nfs/dbraw/zinc/22/56/04/570225604.db2.gz NIGPUUJBEFEZHF-UHFFFAOYSA-N -1 0 379.684 3.821 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)N2CCCC2)c(C)s1 ZINC000048355244 570243577 /nfs/dbraw/zinc/24/35/77/570243577.db2.gz WBOUMNQLAPBKIL-UHFFFAOYSA-N -1 0 378.519 3.710 50 0 GHAARM COc1ccccc1-c1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cs1 ZINC000237106616 570328905 /nfs/dbraw/zinc/32/89/05/570328905.db2.gz SVIXGQLHERTGRJ-RCBQFDQVSA-N -1 0 386.473 3.677 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(I)cc2)[C@@H](C(=O)[O-])C1 ZINC000004371575 570371924 /nfs/dbraw/zinc/37/19/24/570371924.db2.gz KTSLUZPORMHNPS-KBPBESRZSA-N -1 0 399.228 3.677 50 0 GHAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237565487 570381194 /nfs/dbraw/zinc/38/11/94/570381194.db2.gz BLSHDTIJFDNDOO-UHFFFAOYSA-N -1 0 392.377 3.667 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccc(F)cc1 ZINC000024345915 570382488 /nfs/dbraw/zinc/38/24/88/570382488.db2.gz WRLCZXIQSQBIHO-UHFFFAOYSA-N -1 0 386.452 3.611 50 0 GHAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(N)=O)C1 ZINC000004646611 570389033 /nfs/dbraw/zinc/38/90/33/570389033.db2.gz DRIAAKRDZOIYFB-LLVKDONJSA-N -1 0 380.510 3.582 50 0 GHAARM Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n1 ZINC000024926347 570398855 /nfs/dbraw/zinc/39/88/55/570398855.db2.gz WUMZXPKHBMJBPH-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)s1 ZINC000024928489 570398925 /nfs/dbraw/zinc/39/89/25/570398925.db2.gz AWASZNGTIUSNAQ-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000004809297 570406736 /nfs/dbraw/zinc/40/67/36/570406736.db2.gz AFKORKALDMGJMV-ZDUSSCGKSA-N -1 0 378.519 3.738 50 0 GHAARM O=C([O-])[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1(F)F ZINC000521396613 570418063 /nfs/dbraw/zinc/41/80/63/570418063.db2.gz VLSBUDCUZNUOQJ-GOSISDBHSA-N -1 0 387.382 3.977 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)nc1 ZINC000100630025 570418504 /nfs/dbraw/zinc/41/85/04/570418504.db2.gz GGTIGXVFCMEPKV-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)C1 ZINC000238016580 570419727 /nfs/dbraw/zinc/41/97/27/570419727.db2.gz MKYNMSFHNAOFHR-LLVKDONJSA-N -1 0 379.254 3.647 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc(F)cc1Cl ZINC000026541276 570426675 /nfs/dbraw/zinc/42/66/75/570426675.db2.gz SAFPDEMHAYZQKW-UHFFFAOYSA-N -1 0 392.843 3.942 50 0 GHAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2)nn1 ZINC000005150716 570428485 /nfs/dbraw/zinc/42/84/85/570428485.db2.gz DZPGWWXFTBTZGH-UHFFFAOYSA-N -1 0 399.472 3.578 50 0 GHAARM O=C([O-])C(=CCc1ccc(Br)cc1)N=Nc1ncnc2ccccc21 ZINC000252477718 570449564 /nfs/dbraw/zinc/44/95/64/570449564.db2.gz UPBUXCIKIRRPJP-NXRHARODSA-N -1 0 397.232 3.958 50 0 GHAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCc2ccccc2C1 ZINC000006140095 570469081 /nfs/dbraw/zinc/46/90/81/570469081.db2.gz PRZKWYXUCXOBPR-UHFFFAOYSA-N -1 0 398.509 3.747 50 0 GHAARM O=c1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)[n-]c2ccsc21 ZINC000006587883 570486130 /nfs/dbraw/zinc/48/61/30/570486130.db2.gz GINGJWLMWZHHSV-UHFFFAOYSA-N -1 0 381.486 3.735 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000606422332 570522808 /nfs/dbraw/zinc/52/28/08/570522808.db2.gz MMMGYZMMUDLJPH-ZIUDEIKKSA-N -1 0 392.590 3.753 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005014088 570541091 /nfs/dbraw/zinc/54/10/91/570541091.db2.gz RNBPEGROAAOWEM-HUUCEWRRSA-N -1 0 390.867 3.572 50 0 GHAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)cc1Cl ZINC000032971263 570555366 /nfs/dbraw/zinc/55/53/66/570555366.db2.gz WTVFXMRWLWULPK-UHFFFAOYSA-N -1 0 398.824 3.714 50 0 GHAARM Cc1cccc(Oc2ccc(NC(=O)N[C@H](C(=O)[O-])C3CCOCC3)cc2)c1 ZINC000225487179 570579129 /nfs/dbraw/zinc/57/91/29/570579129.db2.gz IGPHJQPTUJTZBW-IBGZPJMESA-N -1 0 384.432 3.789 50 0 GHAARM O=C(CSc1n[n-]c(=S)s1)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000119271375 570618218 /nfs/dbraw/zinc/61/82/18/570618218.db2.gz NOWHQXAJQSZFEM-CXAGYDPISA-N -1 0 377.560 3.847 50 0 GHAARM COc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)[O-])cc1OC ZINC000005556471 570633567 /nfs/dbraw/zinc/63/35/67/570633567.db2.gz ISJRUGIMHBPUBM-UHFFFAOYSA-N -1 0 384.384 3.557 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2Cl)cc1 ZINC000033026194 570661136 /nfs/dbraw/zinc/66/11/36/570661136.db2.gz SMLXCGDRFIWYLD-XHDPSFHLSA-N -1 0 394.880 3.744 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2Cl)cc1 ZINC000033026196 570661179 /nfs/dbraw/zinc/66/11/79/570661179.db2.gz SMLXCGDRFIWYLD-NHYWBVRUSA-N -1 0 394.880 3.744 50 0 GHAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]1CCOC1 ZINC000685944992 570675484 /nfs/dbraw/zinc/67/54/84/570675484.db2.gz NFNSQJCGCBLTDW-HOTGVXAUSA-N -1 0 395.455 3.653 50 0 GHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)C3 ZINC000200464280 570726519 /nfs/dbraw/zinc/72/65/19/570726519.db2.gz BRIFWGHKBMMSTM-SNVBAGLBSA-N -1 0 384.819 3.739 50 0 GHAARM COc1ccc2c(C)cc(SCC(=O)Nc3cccc(C(=O)[O-])c3)nc2c1 ZINC000000939179 570731213 /nfs/dbraw/zinc/73/12/13/570731213.db2.gz LGQBAUJSMHUQIY-UHFFFAOYSA-N -1 0 382.441 3.981 50 0 GHAARM CC(C)Oc1ccc(-c2cc(NC(=O)Cc3ccccc3C(=O)[O-])n[nH]2)cc1 ZINC000072402023 570738415 /nfs/dbraw/zinc/73/84/15/570738415.db2.gz OTJMSSUPFYUENU-UHFFFAOYSA-N -1 0 379.416 3.743 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000032776776 570798922 /nfs/dbraw/zinc/79/89/22/570798922.db2.gz ZJEFEKUENLNETC-LJQANCHMSA-N -1 0 398.484 3.902 50 0 GHAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1C ZINC000101298451 570818799 /nfs/dbraw/zinc/81/87/99/570818799.db2.gz FFONJPOJVDXIAQ-IBGZPJMESA-N -1 0 388.427 3.736 50 0 GHAARM O=C([O-])C1(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000170592090 570851297 /nfs/dbraw/zinc/85/12/97/570851297.db2.gz WLHAXZFLJNGOQH-QGZVFWFLSA-N -1 0 375.877 3.896 50 0 GHAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C ZINC000033253852 570861650 /nfs/dbraw/zinc/86/16/50/570861650.db2.gz PZKODGMCZVNFJT-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM CC(C)(C)c1cc(O)c2oc3nn(-c4cccc(C(=O)[O-])c4)c(=O)c-3cc2c1 ZINC000033261848 570876336 /nfs/dbraw/zinc/87/63/36/570876336.db2.gz DVXUBUXOOLECAS-UHFFFAOYSA-N -1 0 378.384 3.785 50 0 GHAARM O=C(NCc1ccco1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000001114545 570931271 /nfs/dbraw/zinc/93/12/71/570931271.db2.gz MMTBZGBRQZDDQQ-UHFFFAOYSA-N -1 0 397.500 3.775 50 0 GHAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002119689 570953911 /nfs/dbraw/zinc/95/39/11/570953911.db2.gz ANAJGKMJXNABLL-UHFFFAOYSA-N -1 0 399.443 3.587 50 0 biogenic GHAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000223107226 570957853 /nfs/dbraw/zinc/95/78/53/570957853.db2.gz UWVQRFDWFJTOCL-CYBMUJFWSA-N -1 0 375.808 3.698 50 0 GHAARM CN1C(=O)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2cccs2)[C@H]1c1ccccc1 ZINC000106570569 570965590 /nfs/dbraw/zinc/96/55/90/570965590.db2.gz SYNNHNSRVKJSLG-CKEIUWERSA-N -1 0 398.406 3.536 50 0 GHAARM CCOC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012752531 571006210 /nfs/dbraw/zinc/00/62/10/571006210.db2.gz BBLNWUPNPIBALF-NWDGAFQWSA-N -1 0 389.429 3.790 50 0 GHAARM O=C([O-])CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000005647601 571043349 /nfs/dbraw/zinc/04/33/49/571043349.db2.gz INGUVBQBEIUZCG-UHFFFAOYSA-N -1 0 393.770 3.639 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)c1 ZINC000095355560 571051865 /nfs/dbraw/zinc/05/18/65/571051865.db2.gz GJJCRXQJRVPODT-LJQANCHMSA-N -1 0 375.428 3.795 50 0 GHAARM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000190644675 600414274 /nfs/dbraw/zinc/41/42/74/600414274.db2.gz JHQSZGREZGWVJS-MRXNPFEDSA-N -1 0 392.459 3.730 50 0 GHAARM C[C@@H](CC(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1C(F)(F)F ZINC000237306472 600963781 /nfs/dbraw/zinc/96/37/81/600963781.db2.gz NNVRORSVNOSODB-ZDUSSCGKSA-N -1 0 387.398 3.681 50 0 GHAARM Cc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1Br ZINC000096747848 601318484 /nfs/dbraw/zinc/31/84/84/601318484.db2.gz DZXNPQODSJHSIQ-WTKPLQERSA-N -1 0 396.262 3.656 50 0 GHAARM CC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)[O-])cc1 ZINC000022033505 837541041 /nfs/dbraw/zinc/54/10/41/837541041.db2.gz NWRARBMECCLAFV-UKTHLTGXSA-N -1 0 394.221 3.685 50 0 GHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002502576 861225265 /nfs/dbraw/zinc/22/52/65/861225265.db2.gz HQWXHTVTKRGTHQ-HXUWFJFHSA-N -1 0 394.452 3.700 50 0 GHAARM COc1cc2[n-]c(=S)n(CCc3ccccc3Cl)c(=O)c2cc1OC ZINC000002974253 862077227 /nfs/dbraw/zinc/07/72/27/862077227.db2.gz COVCHAXHZPVJJL-UHFFFAOYSA-N -1 0 376.865 3.972 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 ZINC000003308025 862328841 /nfs/dbraw/zinc/32/88/41/862328841.db2.gz ISKZGTXVDQEWJU-SJLPKXTDSA-N -1 0 391.514 3.767 50 0 GHAARM CCn1c(C)cc(C([O-])=CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1C ZINC000040070028 856648126 /nfs/dbraw/zinc/64/81/26/856648126.db2.gz GYTZTLKKMDBLRQ-UHFFFAOYSA-N -1 0 387.423 3.941 50 0 GHAARM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000040150859 856683903 /nfs/dbraw/zinc/68/39/03/856683903.db2.gz HUGQQARWUCRBTF-UHFFFAOYSA-N -1 0 388.823 3.557 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000019902810 860428603 /nfs/dbraw/zinc/42/86/03/860428603.db2.gz MAEIBIAULRQTPV-AWEZNQCLSA-N -1 0 395.358 3.828 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)cc1OC ZINC000096323579 860879891 /nfs/dbraw/zinc/87/98/91/860879891.db2.gz RNPIBENHGZBTJV-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)no1 ZINC000021702119 860910398 /nfs/dbraw/zinc/91/03/98/860910398.db2.gz KIPXQUCBYZSLFS-UHFFFAOYSA-N -1 0 387.845 3.954 50 0 GHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc4c3CCCC4)c2)no1 ZINC000021701941 860910587 /nfs/dbraw/zinc/91/05/87/860910587.db2.gz UPJKQPMKWOWMPX-UHFFFAOYSA-N -1 0 375.475 3.786 50 0 GHAARM COC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c([O-])c2ccccc2oc1=O ZINC000217716357 894260726 /nfs/dbraw/zinc/26/07/26/894260726.db2.gz PKCOUSVKRBSCJH-MRXNPFEDSA-N -1 0 378.380 3.621 50 0 biogenic GHAARM O=C([O-])c1nc(Cl)c(Cl)c(N=NCc2ccc(O)c(O)c2)c1Cl ZINC000254754889 916976475 /nfs/dbraw/zinc/97/64/75/916976475.db2.gz UICUOOHGEAQBGH-UHFFFAOYSA-N -1 0 376.583 3.597 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(OCc2cscn2)c1 ZINC000299751220 222784511 /nfs/dbraw/zinc/78/45/11/222784511.db2.gz PYVOMVGLIQXJGW-BVGQSLNGSA-N -1 0 386.473 3.580 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1 ZINC000001450838 212245775 /nfs/dbraw/zinc/24/57/75/212245775.db2.gz LXGXSAVVDWKBNG-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cccs1 ZINC000001035133 212207515 /nfs/dbraw/zinc/20/75/15/212207515.db2.gz LWZKEMUODDEOBE-UHFFFAOYSA-N -1 0 386.911 3.613 50 0 GHAARM Cc1ccc(COc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2Br)cc1 ZINC000001053723 212210746 /nfs/dbraw/zinc/21/07/46/212210746.db2.gz PZOJAZXJNOJKHC-OQLLNIDSSA-N -1 0 387.233 3.517 50 0 GHAARM O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1 ZINC000000971104 212201366 /nfs/dbraw/zinc/20/13/66/212201366.db2.gz FTUWSZLTOPTYLV-JQBYJRRVSA-N -1 0 395.414 3.781 50 0 GHAARM Cc1cccc(N(C(=O)c2ccco2)C2=C([O-])N(c3cccc(C)c3)C(=O)C2)c1 ZINC000000956450 212199998 /nfs/dbraw/zinc/19/99/98/212199998.db2.gz IFWVXMVILYQINW-IBGZPJMESA-N -1 0 388.423 3.875 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000000795661 212182834 /nfs/dbraw/zinc/18/28/34/212182834.db2.gz FAZDMWUFJSHBPP-WDEREUQCSA-N -1 0 375.222 3.603 50 0 GHAARM O=C([O-])CCCN1C(=O)/C(=C/c2csc(-c3ccccc3)n2)SC1=S ZINC000096663500 212155436 /nfs/dbraw/zinc/15/54/36/212155436.db2.gz ZUMYYHOVQIUKBY-LCYFTJDESA-N -1 0 390.511 3.876 50 0 GHAARM O=C1C(=Cc2cc(Cl)ccc2O)NC(=S)N1Cc1ccccc1Cl ZINC000015282200 212100414 /nfs/dbraw/zinc/10/04/14/212100414.db2.gz WOKZRTNNWKRRCO-ZSOIEALJSA-N -1 0 379.268 3.957 50 0 GHAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C\c3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000002352843 220525646 /nfs/dbraw/zinc/52/56/46/220525646.db2.gz UIEKPGCTBLUXNF-DHDCSXOGSA-N -1 0 384.369 3.530 50 0 GHAARM COc1ccc(-c2nnc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])s2)cc1 ZINC000002777369 220564306 /nfs/dbraw/zinc/56/43/06/220564306.db2.gz OIQXIJJTXKAISO-GJZGRUSLSA-N -1 0 387.461 3.599 50 0 GHAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000005127419 220832450 /nfs/dbraw/zinc/83/24/50/220832450.db2.gz XHEKOUWCXUFASW-KGLIPLIRSA-N -1 0 386.473 3.652 50 0 GHAARM Cc1ccc(Nc2nc(Cn3nc(C(=O)[O-])c4ccccc4c3=O)cs2)cc1 ZINC000007779419 221011048 /nfs/dbraw/zinc/01/10/48/221011048.db2.gz OKYWGJGRGOGRSF-UHFFFAOYSA-N -1 0 392.440 3.652 50 0 GHAARM Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Br ZINC000008105751 221027084 /nfs/dbraw/zinc/02/70/84/221027084.db2.gz PRUXBOGTGCZNHY-UHFFFAOYSA-N -1 0 398.278 3.576 50 0 GHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCC(=O)[O-])cc1 ZINC000008429661 221041220 /nfs/dbraw/zinc/04/12/20/221041220.db2.gz OGUHXVVQMFTVEG-UHFFFAOYSA-N -1 0 377.444 3.671 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n(-c2ccccn2)n1 ZINC000009421808 221080632 /nfs/dbraw/zinc/08/06/32/221080632.db2.gz HZNGFTSZPBTLBY-UHFFFAOYSA-N -1 0 383.260 3.683 50 0 GHAARM Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccccc3)c4=O)c2c1 ZINC000012390190 221189293 /nfs/dbraw/zinc/18/92/93/221189293.db2.gz CRUDGOPIJWHKKQ-UHFFFAOYSA-N -1 0 398.466 3.821 50 0 GHAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1)c1ccco1 ZINC000012631524 221216739 /nfs/dbraw/zinc/21/67/39/221216739.db2.gz LTQMGHJAIAHQIA-UHFFFAOYSA-N -1 0 376.821 3.986 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CCCCCC1 ZINC000013467076 221269104 /nfs/dbraw/zinc/26/91/04/221269104.db2.gz FPJZITCDKZAULB-UHFFFAOYSA-N -1 0 376.844 3.675 50 0 GHAARM Cc1n[n-]c2nc3nc4c(c(-c5ccc(F)cc5)c3c(=O)n12)CCc1ccccc1-4 ZINC000017117756 221379514 /nfs/dbraw/zinc/37/95/14/221379514.db2.gz DMBWKDILHZVKDQ-UHFFFAOYSA-N -1 0 397.413 3.846 50 0 GHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)C1 ZINC000017079692 221378365 /nfs/dbraw/zinc/37/83/65/221378365.db2.gz UFRIOHINGOWWGP-KGLIPLIRSA-N -1 0 390.505 3.502 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017080227 221378556 /nfs/dbraw/zinc/37/85/56/221378556.db2.gz QIKUMAPRWNUQBR-LSDHHAIUSA-N -1 0 392.521 3.867 50 0 GHAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080229 221378576 /nfs/dbraw/zinc/37/85/76/221378576.db2.gz PNHDMEPRLDQJPB-NSHDSACASA-N -1 0 392.521 3.595 50 0 GHAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000008840755 136195651 /nfs/dbraw/zinc/19/56/51/136195651.db2.gz LVWMZKAHJOUDPA-UHFFFAOYSA-N -1 0 394.443 3.845 50 0 GHAARM Cc1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C(=O)[O-])C2=O)n1 ZINC000024204301 221610431 /nfs/dbraw/zinc/61/04/31/221610431.db2.gz OOGSRMRHYZTVPH-AQTBWJFISA-N -1 0 399.406 3.728 50 0 GHAARM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528701 221880706 /nfs/dbraw/zinc/88/07/06/221880706.db2.gz CHNDOSLXDQUFJI-MRXNPFEDSA-N -1 0 379.334 3.931 50 0 GHAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2ccc(Br)cc2)CC1 ZINC000039959776 221893550 /nfs/dbraw/zinc/89/35/50/221893550.db2.gz NBRDDWSLECLUEC-UHFFFAOYSA-N -1 0 384.270 3.802 50 0 GHAARM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055150976 222016311 /nfs/dbraw/zinc/01/63/11/222016311.db2.gz JSHMIHINSGOWJM-DLBZAZTESA-N -1 0 378.428 3.853 50 0 GHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000064979400 222092655 /nfs/dbraw/zinc/09/26/55/222092655.db2.gz PUIOWQYDWYGLLY-UHFFFAOYSA-N -1 0 386.429 3.662 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C ZINC000065009043 222094685 /nfs/dbraw/zinc/09/46/85/222094685.db2.gz AUKLQKFUXHTTRJ-UHFFFAOYSA-N -1 0 391.518 3.965 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000065184007 222106877 /nfs/dbraw/zinc/10/68/77/222106877.db2.gz NBRRKCSJCIKZNX-UHFFFAOYSA-N -1 0 386.449 3.556 50 0 GHAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000065183994 222107218 /nfs/dbraw/zinc/10/72/18/222107218.db2.gz MEHGMXQQPXAWCC-UHFFFAOYSA-N -1 0 382.486 3.725 50 0 GHAARM CSc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000064844589 222085720 /nfs/dbraw/zinc/08/57/20/222085720.db2.gz DGNPNFXPSPYBPB-UHFFFAOYSA-N -1 0 381.504 3.938 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)ccc1Br ZINC000064958672 222091496 /nfs/dbraw/zinc/09/14/96/222091496.db2.gz QMLJZBRNAXEWKF-UHFFFAOYSA-N -1 0 383.223 3.806 50 0 GHAARM O=C([O-])CSc1nnc(Cc2ccccc2F)n1-c1ccccc1Cl ZINC000067473224 222146851 /nfs/dbraw/zinc/14/68/51/222146851.db2.gz PSZPSBICRLJKRS-UHFFFAOYSA-N -1 0 377.828 3.827 50 0 GHAARM CC(=O)OCCCSc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000069518600 222174069 /nfs/dbraw/zinc/17/40/69/222174069.db2.gz QBCUUDXLKOXPRN-UHFFFAOYSA-N -1 0 383.466 3.672 50 0 GHAARM O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000069844831 222174893 /nfs/dbraw/zinc/17/48/93/222174893.db2.gz OABKFUBZVHIRLC-MRXNPFEDSA-N -1 0 385.876 3.746 50 0 GHAARM COc1ccc2c(C)c(C(=O)N[C@H](C(=O)[O-])c3cccc(F)c3F)oc2c1 ZINC000095528859 222353684 /nfs/dbraw/zinc/35/36/84/222353684.db2.gz APHWVRSSIAZGHB-INIZCTEOSA-N -1 0 375.327 3.584 50 0 GHAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000128543321 222524594 /nfs/dbraw/zinc/52/45/94/222524594.db2.gz WZFUMPORRDXMQF-SNVBAGLBSA-N -1 0 386.395 3.571 50 0 GHAARM CC(C)CCN1C[C@@]2(CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)CCC1=O ZINC000091693656 527726643 /nfs/dbraw/zinc/72/66/43/527726643.db2.gz SBQGOTGORWHWRC-OAQYLSRUSA-N -1 0 392.927 3.937 50 0 GHAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(F)c(Cl)c1 ZINC000020606328 570271278 /nfs/dbraw/zinc/27/12/78/570271278.db2.gz XREHDJRQVVVFNS-WBVHZDCISA-N -1 0 397.855 3.855 50 0 GHAARM O=C(Nc1cccc(C(F)(F)F)c1)C1=C([O-])CC(c2ccccc2)CC1=O ZINC000100684103 570274593 /nfs/dbraw/zinc/27/45/93/570274593.db2.gz QQAOUPFDIPIDJL-UHFFFAOYSA-N -1 0 375.346 3.976 50 0 GHAARM C[C@@H]1C[C@@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000004297036 570366192 /nfs/dbraw/zinc/36/61/92/570366192.db2.gz XCDSCWAYQOCMPY-HUUCEWRRSA-N -1 0 388.489 3.668 50 0 GHAARM O=C([O-])C[C@@H]1SC(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)=NC1=O ZINC000004307631 570366718 /nfs/dbraw/zinc/36/67/18/570366718.db2.gz OYVSGKHNFDDUPF-LBPRGKRZSA-N -1 0 396.346 3.756 50 0 GHAARM O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000010923170 570370017 /nfs/dbraw/zinc/37/00/17/570370017.db2.gz ZSQXLTVIJYKQOP-UHFFFAOYSA-N -1 0 395.415 3.718 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1)N1CCCC1 ZINC000024613867 570388072 /nfs/dbraw/zinc/38/80/72/570388072.db2.gz MRQSHYBWMDQLAT-UHFFFAOYSA-N -1 0 378.881 3.518 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(OC)cc1Cl ZINC000035592614 570398982 /nfs/dbraw/zinc/39/89/82/570398982.db2.gz NAAZBCIBFBTRMC-UHFFFAOYSA-N -1 0 378.233 3.517 50 0 GHAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000238029676 570420792 /nfs/dbraw/zinc/42/07/92/570420792.db2.gz YCOVVOFPQUUFIH-QGZVFWFLSA-N -1 0 378.428 3.865 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000238069353 570422279 /nfs/dbraw/zinc/42/22/79/570422279.db2.gz YDRBCKJQTOTTBG-CVEARBPZSA-N -1 0 386.275 3.579 50 0 GHAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc1c2C ZINC000006452242 570426135 /nfs/dbraw/zinc/42/61/35/570426135.db2.gz LWULNBKBMJODHO-QGZVFWFLSA-N -1 0 399.443 3.622 50 0 GHAARM CC(C)Cn1cc(C(=O)NCCCNC(=O)c2cccc(O)c2)c2ccccc21 ZINC000503123251 570426467 /nfs/dbraw/zinc/42/64/67/570426467.db2.gz VQDPFKAEYXLUAC-UHFFFAOYSA-N -1 0 393.487 3.553 50 0 GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CCC)s2)c1=O ZINC000100707734 570435220 /nfs/dbraw/zinc/43/52/20/570435220.db2.gz KZSVKKYMYYVWHY-UHFFFAOYSA-N -1 0 386.477 3.564 50 0 GHAARM CN(Cc1ccsc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000028441013 570459993 /nfs/dbraw/zinc/45/99/93/570459993.db2.gz BRAKLQFILOSKIW-UHFFFAOYSA-N -1 0 392.527 3.883 50 0 GHAARM O=C([O-])c1cccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000685939876 570674562 /nfs/dbraw/zinc/67/45/62/570674562.db2.gz MQKZCKZFXPVCFV-UHFFFAOYSA-N -1 0 388.423 3.861 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000006887740 570683019 /nfs/dbraw/zinc/68/30/19/570683019.db2.gz DUKKJMHKPBDGKK-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM CN(C)c1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)c1 ZINC000239807529 570684584 /nfs/dbraw/zinc/68/45/84/570684584.db2.gz CSRYECIMFUORAH-LJQANCHMSA-N -1 0 399.878 3.949 50 0 GHAARM Cc1ccc(Oc2ccccc2)c(NC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000242167644 570688784 /nfs/dbraw/zinc/68/87/84/570688784.db2.gz WYFVNBGGXWNKBE-OAHLLOKOSA-N -1 0 394.431 3.875 50 0 GHAARM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000005794176 570690725 /nfs/dbraw/zinc/69/07/25/570690725.db2.gz BZTQOGCCYWZUPG-FQEVSTJZSA-N -1 0 380.444 3.936 50 0 GHAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615757 570751228 /nfs/dbraw/zinc/75/12/28/570751228.db2.gz GCZGNYQUQCYVBG-UHFFFAOYSA-N -1 0 377.331 3.629 50 0 GHAARM COC1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000309735859 570794833 /nfs/dbraw/zinc/79/48/33/570794833.db2.gz CSGODWZOMIZKFV-UHFFFAOYSA-N -1 0 381.428 3.501 50 0 GHAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033078666 570805409 /nfs/dbraw/zinc/80/54/09/570805409.db2.gz AHAYVEPFKFFFBU-UHFFFAOYSA-N -1 0 399.466 3.979 50 0 GHAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167016 570814784 /nfs/dbraw/zinc/81/47/84/570814784.db2.gz DMAODUWHGHUAPL-HUUCEWRRSA-N -1 0 393.205 3.626 50 0 GHAARM CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000004680223 570825814 /nfs/dbraw/zinc/82/58/14/570825814.db2.gz YHPXOLBPHGMHLC-UHFFFAOYSA-N -1 0 378.837 3.564 50 0 GHAARM CCCOc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1 ZINC000101725156 570830778 /nfs/dbraw/zinc/83/07/78/570830778.db2.gz KPOPIXAOZFBPGV-UHFFFAOYSA-N -1 0 395.390 3.889 50 0 GHAARM CCCNC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000101832878 570836743 /nfs/dbraw/zinc/83/67/43/570836743.db2.gz VJFLBCKMZMTCKJ-UHFFFAOYSA-N -1 0 384.505 3.777 50 0 GHAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)N1CCCC1 ZINC000101832381 570836763 /nfs/dbraw/zinc/83/67/63/570836763.db2.gz PTOYASHWVNLTNA-UHFFFAOYSA-N -1 0 396.516 3.786 50 0 GHAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4F)cnn32)cc1 ZINC000101836405 570837141 /nfs/dbraw/zinc/83/71/41/570837141.db2.gz GMNBYOTUQPOEQF-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM CCC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000170592287 570851376 /nfs/dbraw/zinc/85/13/76/570851376.db2.gz OXPBJKZANJNGPD-LBPRGKRZSA-N -1 0 380.853 3.637 50 0 GHAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000033253843 570862044 /nfs/dbraw/zinc/86/20/44/570862044.db2.gz QVKLCWSXZSYOFZ-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000042046477 570885594 /nfs/dbraw/zinc/88/55/94/570885594.db2.gz TZIUUUKQLBUQNI-JQWIXIFHSA-N -1 0 382.844 3.874 50 0 GHAARM Cc1c(C(=O)[O-])sc2ncnc(NCC3(c4ccccc4)CCOCC3)c12 ZINC000299801511 570898186 /nfs/dbraw/zinc/89/81/86/570898186.db2.gz YEUOWHASXHLARJ-UHFFFAOYSA-N -1 0 383.473 3.858 50 0 GHAARM CC(C)(C)c1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004572006 570899253 /nfs/dbraw/zinc/89/92/53/570899253.db2.gz WHVNNPAYVMRTLJ-ROUUACIJSA-N -1 0 385.485 3.992 50 0 GHAARM O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NC1CCCC1 ZINC000023138274 570916589 /nfs/dbraw/zinc/91/65/89/570916589.db2.gz WCMRSRUDLJTQQH-UHFFFAOYSA-N -1 0 377.897 3.729 50 0 GHAARM O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)Nc1cccnc1 ZINC000023138253 570916610 /nfs/dbraw/zinc/91/66/10/570916610.db2.gz ZVSSLMMICMARBW-UHFFFAOYSA-N -1 0 386.864 3.704 50 0 GHAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032103523 570960226 /nfs/dbraw/zinc/96/02/26/570960226.db2.gz AWMCTVXBIHSFIT-GOSISDBHSA-N -1 0 389.908 3.826 50 0 GHAARM Cc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(C(=O)[O-])cc3)c2c1 ZINC000002140214 570969573 /nfs/dbraw/zinc/96/95/73/570969573.db2.gz AXVVSKYABJDFMS-UHFFFAOYSA-N -1 0 393.468 3.792 50 0 GHAARM CC(C)CCN1C[C@]2(CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)CCC1=O ZINC000091693658 571026445 /nfs/dbraw/zinc/02/64/45/571026445.db2.gz SBQGOTGORWHWRC-NRFANRHFSA-N -1 0 392.927 3.937 50 0 GHAARM C[C@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000078868957 836783185 /nfs/dbraw/zinc/78/31/85/836783185.db2.gz VDTUSEWVWCOORS-BWNDKRECSA-N -1 0 375.764 3.996 50 0 GHAARM Cc1nc(-c2ccc(CN3CCOC[C@H]3c3ccc(F)cc3)cc2)[n-]c(=O)c1F ZINC000023478685 837275115 /nfs/dbraw/zinc/27/51/15/837275115.db2.gz FDAWYCDVCYMJBG-IBGZPJMESA-N -1 0 397.425 3.597 50 0 GHAARM COc1ccccc1-c1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000299752199 861290214 /nfs/dbraw/zinc/29/02/14/861290214.db2.gz SVIXGQLHERTGRJ-MAZHCROVSA-N -1 0 386.473 3.677 50 0 GHAARM O=S(=O)([N-]c1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1 ZINC000028250727 861310419 /nfs/dbraw/zinc/31/04/19/861310419.db2.gz RFUMJABJDUYCRU-UHFFFAOYSA-N -1 0 379.894 3.778 50 0 GHAARM COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002841692 847075876 /nfs/dbraw/zinc/07/58/76/847075876.db2.gz ZMVFCXCURNQLGK-IRXDYDNUSA-N -1 0 394.427 3.553 50 0 GHAARM CCC(=O)N1[C@H](c2ccccc2OC)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000003028914 862123927 /nfs/dbraw/zinc/12/39/27/862123927.db2.gz IYQGTJWDLAMAKB-LAUBAEHRSA-N -1 0 378.428 3.514 50 0 GHAARM COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253470740 855328659 /nfs/dbraw/zinc/32/86/59/855328659.db2.gz BZLZVULGGDOHED-SFHVURJKSA-N -1 0 397.402 3.962 50 0 GHAARM Cc1ccc(OCc2nnc(S[C@H](C)C(=O)[O-])n2Cc2ccccc2)cc1 ZINC000004130625 862815743 /nfs/dbraw/zinc/81/57/43/862815743.db2.gz SCNQRLOULDHKJZ-OAHLLOKOSA-N -1 0 383.473 3.779 50 0 GHAARM Cc1cnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)s1 ZINC000040145121 856680348 /nfs/dbraw/zinc/68/03/48/856680348.db2.gz UYKUQBVCUYQZSE-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000009015976 856705947 /nfs/dbraw/zinc/70/59/47/856705947.db2.gz ARKBBELJGYVKFG-FQEVSTJZSA-N -1 0 383.835 3.750 50 0 GHAARM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F ZINC000095428143 860576491 /nfs/dbraw/zinc/57/64/91/860576491.db2.gz YAASJJGKZQOTOG-UHFFFAOYSA-N -1 0 396.346 3.753 50 0 GHAARM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(c3cccc(Cl)c3)CCOCC1)CC2 ZINC000095464506 860593895 /nfs/dbraw/zinc/59/38/95/860593895.db2.gz YYLLHOKPFTZFBO-UHFFFAOYSA-N -1 0 399.874 3.671 50 0 GHAARM Cc1nn(Cc2ccccc2F)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000096286874 860840826 /nfs/dbraw/zinc/84/08/26/860840826.db2.gz ZKINRJPSLFBTCO-UHFFFAOYSA-N -1 0 377.416 3.627 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1-c1nc(C2CC2)no1 ZINC000096379861 860909748 /nfs/dbraw/zinc/90/97/48/860909748.db2.gz JBOATYHVLCLZPR-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577907 861152888 /nfs/dbraw/zinc/15/28/88/861152888.db2.gz LXYYTZOWMMZQSJ-SFHVURJKSA-N -1 0 399.564 3.519 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(F)cc2)CC(=O)N3)c1 ZINC000066087441 878046689 /nfs/dbraw/zinc/04/66/89/878046689.db2.gz HBJHHYRKGDDQLI-INIZCTEOSA-N -1 0 380.375 3.797 50 0 GHAARM Cn1ncc(C2CCC2)c1C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000621542731 884813506 /nfs/dbraw/zinc/81/35/06/884813506.db2.gz MVKWNTGNRPPMFP-IBGZPJMESA-N -1 0 395.503 3.798 50 0 GHAARM CCOc1cc(/C=C(\NC(=O)C2CCCCC2)C(=O)[O-])ccc1OC(F)F ZINC000097011460 915342940 /nfs/dbraw/zinc/34/29/40/915342940.db2.gz FWLZJBXPILCVAF-UVTDQMKNSA-N -1 0 383.391 3.809 50 0 GHAARM COc1ccc(C(=O)NN=C(C)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc1 ZINC000254800211 917022611 /nfs/dbraw/zinc/02/26/11/917022611.db2.gz RYRHYPUZQMGOIW-UHFFFAOYSA-N -1 0 378.384 3.807 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c1 ZINC000095388065 230986914 /nfs/dbraw/zinc/98/69/14/230986914.db2.gz CPFKNSUNBYAVOS-KRWDZBQOSA-N -1 0 377.444 3.600 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000001200865 212228391 /nfs/dbraw/zinc/22/83/91/212228391.db2.gz KWGFHDLSIVONRL-ZJUUUORDSA-N -1 0 383.267 3.888 50 0 GHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)ccc2Cl)c1 ZINC000001008745 212203690 /nfs/dbraw/zinc/20/36/90/212203690.db2.gz XXMNOTKSRCQAGR-UHFFFAOYSA-N -1 0 380.897 3.896 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c(OC)cc1Cl ZINC000000784134 212181536 /nfs/dbraw/zinc/18/15/36/212181536.db2.gz IYVMGRNAROTNNQ-UHFFFAOYSA-N -1 0 399.852 3.665 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000000808243 212184683 /nfs/dbraw/zinc/18/46/83/212184683.db2.gz MZNZQGHIZHGQHD-HXUWFJFHSA-N -1 0 388.427 3.562 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000000808244 212184535 /nfs/dbraw/zinc/18/45/35/212184535.db2.gz MZNZQGHIZHGQHD-FQEVSTJZSA-N -1 0 388.427 3.562 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1=O ZINC000000714252 212176836 /nfs/dbraw/zinc/17/68/36/212176836.db2.gz MAEIBIAULRQTPV-CQSZACIVSA-N -1 0 395.358 3.828 50 0 GHAARM COc1ccc(-c2c(C)oc3cc(O[C@H](C)C(=O)[O-])ccc3c2=O)cc1OC ZINC000004046826 212147129 /nfs/dbraw/zinc/14/71/29/212147129.db2.gz NKWCMWFBICKMQI-GFCCVEGCSA-N -1 0 384.384 3.638 50 0 biogenic GHAARM COc1ccc(-n2c(COc3cccc(C)c3)nnc2S[C@@H](C)C(=O)[O-])cc1 ZINC000000916902 220466269 /nfs/dbraw/zinc/46/62/69/220466269.db2.gz IZZYBVMNBHVYOC-AWEZNQCLSA-N -1 0 399.472 3.729 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(Br)c1)C(=O)[O-] ZINC000004241004 220696392 /nfs/dbraw/zinc/69/63/92/220696392.db2.gz DSGWYYBWPWHDEU-QGZVFWFLSA-N -1 0 384.270 3.846 50 0 GHAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 ZINC000005022377 220812622 /nfs/dbraw/zinc/81/26/22/220812622.db2.gz PCTHQAQYEAGXLE-CQSZACIVSA-N -1 0 391.221 3.585 50 0 GHAARM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccccc1)C2=O ZINC000008971301 221067455 /nfs/dbraw/zinc/06/74/55/221067455.db2.gz AUHZXRJPXGQCOE-HSZRJFAPSA-N -1 0 385.423 3.942 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncn3C)cc2)c(Cl)c1 ZINC000012525775 221201641 /nfs/dbraw/zinc/20/16/41/221201641.db2.gz JJRHOPNCNJEBQW-UHFFFAOYSA-N -1 0 394.909 3.729 50 0 GHAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1 ZINC000012536266 221203797 /nfs/dbraw/zinc/20/37/97/221203797.db2.gz DVZWVNVEZGLYSB-UHFFFAOYSA-N -1 0 381.457 3.693 50 0 GHAARM COc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cc(C(C)=O)c2=O)cc1 ZINC000014199925 221303306 /nfs/dbraw/zinc/30/33/06/221303306.db2.gz SEUWYVPUEOGCHE-UHFFFAOYSA-N -1 0 397.814 3.639 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2ccccc2C)[n-]c2ccc(C)cc2c1=O ZINC000015731501 221342414 /nfs/dbraw/zinc/34/24/14/221342414.db2.gz CCFXNQRYPPAUAJ-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017080207 221378505 /nfs/dbraw/zinc/37/85/05/221378505.db2.gz OLLHHPDRSLETIW-GFCCVEGCSA-N -1 0 392.521 3.739 50 0 GHAARM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000017917382 221385304 /nfs/dbraw/zinc/38/53/04/221385304.db2.gz ZPVURIDIJHOSHB-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000008840758 136195768 /nfs/dbraw/zinc/19/57/68/136195768.db2.gz SKAGHVMLZMJPCY-UHFFFAOYSA-N -1 0 378.519 3.937 50 0 GHAARM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000032935305 221753819 /nfs/dbraw/zinc/75/38/19/221753819.db2.gz OJMKRFQSABZYOM-UHFFFAOYSA-N -1 0 385.848 3.810 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2nccs2)cc1 ZINC000058225077 222046709 /nfs/dbraw/zinc/04/67/09/222046709.db2.gz IXIPVDWDNCGXCR-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccc(Cl)cc2)cc1 ZINC000061717706 222061250 /nfs/dbraw/zinc/06/12/50/222061250.db2.gz CIABPRRVFKFZPF-MRXNPFEDSA-N -1 0 381.819 3.757 50 0 GHAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)n1C ZINC000064863210 222086158 /nfs/dbraw/zinc/08/61/58/222086158.db2.gz SICGJSXNUIAPBT-UHFFFAOYSA-N -1 0 384.885 3.581 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1 ZINC000064920210 222087724 /nfs/dbraw/zinc/08/77/24/222087724.db2.gz SCSNOGMYLXKIOF-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)c1 ZINC000064979655 222091920 /nfs/dbraw/zinc/09/19/20/222091920.db2.gz QJQFGUPPZCNSLI-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c2ccccc12 ZINC000065516310 222133479 /nfs/dbraw/zinc/13/34/79/222133479.db2.gz JCKFUHUOZNQIKE-UHFFFAOYSA-N -1 0 389.404 3.877 50 0 GHAARM O=C([O-])[C@]1(CCc2ccccc2)CCCN(C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000071736243 222188354 /nfs/dbraw/zinc/18/83/54/222188354.db2.gz UXVVUJJWFRVFAY-QFIPXVFZSA-N -1 0 377.444 3.503 50 0 GHAARM CCc1nc(C)sc1C(=O)N=c1[n-]c(C(=O)OC)c(-c2ccccc2)s1 ZINC000072402214 222254387 /nfs/dbraw/zinc/25/43/87/222254387.db2.gz AZJKQGGTBWJYFE-UHFFFAOYSA-N -1 0 387.486 3.598 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2nc(C)sc2CC(C)C)sc1C(C)C ZINC000072405949 222255449 /nfs/dbraw/zinc/25/54/49/222255449.db2.gz SLZPAVOUSOYEIO-UHFFFAOYSA-N -1 0 381.523 3.691 50 0 GHAARM CC(C)c1nc2cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)ccc2o1 ZINC000095518656 222343769 /nfs/dbraw/zinc/34/37/69/222343769.db2.gz HWRVGAGCATYRSP-UHFFFAOYSA-N -1 0 382.445 3.521 50 0 GHAARM CCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000096361108 222414868 /nfs/dbraw/zinc/41/48/68/222414868.db2.gz WQPQOFYDDKEYEG-UHFFFAOYSA-N -1 0 398.488 3.642 50 0 GHAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000159925048 222530729 /nfs/dbraw/zinc/53/07/29/222530729.db2.gz YYCKCCMSCGNHHD-AWEZNQCLSA-N -1 0 398.406 3.837 50 0 GHAARM CC(C)(C)n1nc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1C1CC1 ZINC000236785894 519169641 /nfs/dbraw/zinc/16/96/41/519169641.db2.gz MEEGMRSPTBKKJC-UHFFFAOYSA-N -1 0 395.503 3.774 50 0 GHAARM CC(C)n1cc(Br)cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177475865 519932352 /nfs/dbraw/zinc/93/23/52/519932352.db2.gz KFTZCDNFQPPNOA-ZDUSSCGKSA-N -1 0 377.238 3.660 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022626664 570227794 /nfs/dbraw/zinc/22/77/94/570227794.db2.gz RLGKCLRDVLGPDZ-ZDUSSCGKSA-N -1 0 399.303 3.533 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1nc(-c2ccncc2)no1)c1ccccc1 ZINC000022462335 570317603 /nfs/dbraw/zinc/31/76/03/570317603.db2.gz ITFTXPACSCZPIK-UHFFFAOYSA-N -1 0 378.413 3.599 50 0 GHAARM O=S(=O)([N-]c1ccccc1-c1cn2c(n1)SCC2)c1ccc(F)c(F)c1 ZINC000575610725 570334312 /nfs/dbraw/zinc/33/43/12/570334312.db2.gz OLENYZSNYXRQJT-UHFFFAOYSA-N -1 0 393.440 3.735 50 0 GHAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000003266104 570334803 /nfs/dbraw/zinc/33/48/03/570334803.db2.gz NOOHVTMKDANSCX-INIZCTEOSA-N -1 0 397.880 3.910 50 0 GHAARM CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003886930 570353528 /nfs/dbraw/zinc/35/35/28/570353528.db2.gz XMFQXSDKZZIXBT-WRUMOOJNSA-N -1 0 391.533 3.587 50 0 GHAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1ccccc1 ZINC000006392747 570403851 /nfs/dbraw/zinc/40/38/51/570403851.db2.gz HQFBBZXUIKDTIM-UHFFFAOYSA-N -1 0 389.278 3.622 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)s1 ZINC000005099572 570416425 /nfs/dbraw/zinc/41/64/25/570416425.db2.gz NKYXUQUMYLAUBF-UHFFFAOYSA-N -1 0 390.530 3.801 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000238064680 570422653 /nfs/dbraw/zinc/42/26/53/570422653.db2.gz AGBPAOOARASPPC-QZTJIDSGSA-N -1 0 385.410 3.713 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 ZINC000006553279 570476194 /nfs/dbraw/zinc/47/61/94/570476194.db2.gz ZSSNMDMTVJSLSO-UHFFFAOYSA-N -1 0 397.460 3.538 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000030521579 570490415 /nfs/dbraw/zinc/49/04/15/570490415.db2.gz QJXJCQFHRSYVSM-JKSUJKDBSA-N -1 0 386.835 3.920 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)cc1 ZINC000002767881 570515336 /nfs/dbraw/zinc/51/53/36/570515336.db2.gz CEGMSDAJIQLZLK-UHFFFAOYSA-N -1 0 395.843 3.533 50 0 GHAARM O=S(=O)([N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000002791164 570517578 /nfs/dbraw/zinc/51/75/78/570517578.db2.gz SMHBVRUDJOMPEK-UHFFFAOYSA-N -1 0 387.408 3.813 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000032962105 570542399 /nfs/dbraw/zinc/54/23/99/570542399.db2.gz QNXDGUJQNNPMCJ-UHFFFAOYSA-N -1 0 388.489 3.874 50 0 GHAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)cc1 ZINC000005403206 570587102 /nfs/dbraw/zinc/58/71/02/570587102.db2.gz GBBGZEIKTRJDOR-UHFFFAOYSA-N -1 0 376.869 3.845 50 0 GHAARM O=C(CSc1n[n-]c(=S)s1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000119271605 570618203 /nfs/dbraw/zinc/61/82/03/570618203.db2.gz NOWHQXAJQSZFEM-SUMWQHHRSA-N -1 0 377.560 3.847 50 0 GHAARM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C)s1 ZINC000033007797 570620810 /nfs/dbraw/zinc/62/08/10/570620810.db2.gz OIRIMNRPRBPYJY-UHFFFAOYSA-N -1 0 397.428 3.642 50 0 GHAARM CCCC[C@](CC)(CCC[N-]C(=O)C(F)(F)F)C[N-]C(=O)C(F)(F)F ZINC000006399324 570732703 /nfs/dbraw/zinc/73/27/03/570732703.db2.gz WPDMYIAJLCKCPI-CYBMUJFWSA-N -1 0 378.357 3.710 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2nc3ccc(F)cc3s2)c([O-])c2ccccc21 ZINC000100830281 570775947 /nfs/dbraw/zinc/77/59/47/570775947.db2.gz PGVRZKDRPSKPSV-UHFFFAOYSA-N -1 0 383.404 3.728 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000238016940 570776678 /nfs/dbraw/zinc/77/66/78/570776678.db2.gz FKXDCEJQQJRGQB-OAHLLOKOSA-N -1 0 383.419 3.774 50 0 GHAARM COc1cccc2cc(-c3nnc([N-]C(=O)c4cc(-c5ccco5)on4)o3)oc21 ZINC000036709528 570798308 /nfs/dbraw/zinc/79/83/08/570798308.db2.gz IXJOJCWHHCUQIY-UHFFFAOYSA-N -1 0 392.327 3.992 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101167639 570814753 /nfs/dbraw/zinc/81/47/53/570814753.db2.gz STCXKMXIVAXZFZ-HOTGVXAUSA-N -1 0 388.349 3.507 50 0 GHAARM C[C@@H](NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O)c1ccccc1 ZINC000101723468 570830178 /nfs/dbraw/zinc/83/01/78/570830178.db2.gz IXGDQLFIFYYSOV-OAHLLOKOSA-N -1 0 385.423 3.582 50 0 GHAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c1 ZINC000101723553 570830407 /nfs/dbraw/zinc/83/04/07/570830407.db2.gz GDPHQCVBPACPHB-UHFFFAOYSA-N -1 0 385.423 3.960 50 0 GHAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3ccc(C)c(Cl)c3)c2=O)n1 ZINC000101831077 570836381 /nfs/dbraw/zinc/83/63/81/570836381.db2.gz ASXWWJFLXGXPPZ-UHFFFAOYSA-N -1 0 376.869 3.794 50 0 GHAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C)c(F)c3)c(=O)c1-2 ZINC000007424077 570839724 /nfs/dbraw/zinc/83/97/24/570839724.db2.gz AFACGIOIRBETFL-UHFFFAOYSA-N -1 0 376.391 3.722 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2[n-]c1=S ZINC000102167410 570843569 /nfs/dbraw/zinc/84/35/69/570843569.db2.gz LXFGNMWVBJVVEG-QGZVFWFLSA-N -1 0 379.485 3.513 50 0 GHAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc2ccccc2c1 ZINC000102758299 570862869 /nfs/dbraw/zinc/86/28/69/570862869.db2.gz BYDPQBNEMCESRJ-UHFFFAOYSA-N -1 0 375.453 3.652 50 0 GHAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000170612637 570870148 /nfs/dbraw/zinc/87/01/48/570870148.db2.gz IYSSSUJFKHRQRM-IBGZPJMESA-N -1 0 399.878 3.949 50 0 GHAARM COc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000003626642 570879119 /nfs/dbraw/zinc/87/91/19/570879119.db2.gz HEBCSMXKYPLRKL-QGZVFWFLSA-N -1 0 385.460 3.704 50 0 GHAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3cccc4ccccc43)cc2)N1 ZINC000004556446 570883087 /nfs/dbraw/zinc/88/30/87/570883087.db2.gz KRLDULOSHQRRFI-OALUTQOASA-N -1 0 379.437 3.847 50 0 GHAARM CN(C(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1)C1CCCCC1 ZINC000071285286 570888346 /nfs/dbraw/zinc/88/83/46/570888346.db2.gz OXJFGKGXZHHBTA-UHFFFAOYSA-N -1 0 394.471 3.971 50 0 GHAARM Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002871168 570933780 /nfs/dbraw/zinc/93/37/80/570933780.db2.gz CMYJQJYAWFTUKE-UHFFFAOYSA-N -1 0 392.864 3.657 50 0 GHAARM COc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000004732565 570947422 /nfs/dbraw/zinc/94/74/22/570947422.db2.gz FBRJUAFFCCZQLY-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM O=c1[n-]c(CNc2ccc(Cl)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000044919826 570983491 /nfs/dbraw/zinc/98/34/91/570983491.db2.gz GVJASMBCYGOJTE-UHFFFAOYSA-N -1 0 398.772 3.784 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)c1 ZINC000095357910 571053465 /nfs/dbraw/zinc/05/34/65/571053465.db2.gz PYPGPIZLHRNTPL-HXUWFJFHSA-N -1 0 389.455 3.649 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(OCc2cscn2)c1 ZINC000299751221 861290466 /nfs/dbraw/zinc/29/04/66/861290466.db2.gz PYVOMVGLIQXJGW-VHSSKADRSA-N -1 0 386.473 3.580 50 0 GHAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009012843 856702032 /nfs/dbraw/zinc/70/20/32/856702032.db2.gz CYCCIVANZPEIBG-FMQUCBEESA-N -1 0 389.455 3.530 50 0 GHAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000009051698 856734612 /nfs/dbraw/zinc/73/46/12/856734612.db2.gz KBZJXDLWRXOAIL-HXUWFJFHSA-N -1 0 386.407 3.921 50 0 GHAARM CC1(C)Cc2c(sc3ncn4nc(-c5ccccc5C(=O)[O-])nc4c23)CO1 ZINC000002432334 859060403 /nfs/dbraw/zinc/06/04/03/859060403.db2.gz XPPWDEOFZZJEOD-UHFFFAOYSA-N -1 0 380.429 3.556 50 0 GHAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000367902050 859221020 /nfs/dbraw/zinc/22/10/20/859221020.db2.gz XRZFGXVOOUAXAU-ZFWWWQNUSA-N -1 0 388.876 3.618 50 0 GHAARM CSc1ccc2c3c1cccc3C(=O)N(c1cccc(S(=O)(=O)[O-])c1)C2=O ZINC000096576685 860988751 /nfs/dbraw/zinc/98/87/51/860988751.db2.gz CFPPUROLOQGUIP-UHFFFAOYSA-N -1 0 399.449 3.609 50 0 GHAARM CC(C)c1nc([C@@H]2CCCCCN2C(=O)C[C@H](C(=O)[O-])c2ccccc2)no1 ZINC000634911312 904607227 /nfs/dbraw/zinc/60/72/27/904607227.db2.gz VURGXHUWEBMXJF-IRXDYDNUSA-N -1 0 385.464 3.895 50 0 GHAARM Cc1c(N=Cc2cc(Br)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000254451164 916723279 /nfs/dbraw/zinc/72/32/79/916723279.db2.gz JEFLLTPGLKKXAE-UHFFFAOYSA-N -1 0 386.249 3.703 50 0 GHAARM Cc1cc2cc(NC(=O)N[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])ccc2[nH]1 ZINC000225487444 222679496 /nfs/dbraw/zinc/67/94/96/222679496.db2.gz GNFVSYWEGKGURO-LJQANCHMSA-N -1 0 394.406 3.914 50 0 GHAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccncc1 ZINC000001041518 212207957 /nfs/dbraw/zinc/20/79/57/212207957.db2.gz GMWNQDTXFHCFJL-VQTJNVASSA-N -1 0 376.387 3.786 50 0 GHAARM COc1cccc2c1c([N-]S(=O)(=O)c1cc(Cl)sc1Cl)nn2C ZINC000001032287 212207706 /nfs/dbraw/zinc/20/77/06/212207706.db2.gz UBHVLOZXHRTNLW-UHFFFAOYSA-N -1 0 392.289 3.751 50 0 GHAARM Cc1sc2ncn([C@@H](C)C(=O)[O-])c(=O)c2c1-c1ccc(Br)cc1 ZINC000000958731 212200109 /nfs/dbraw/zinc/20/01/09/212200109.db2.gz LNZHMSYCDMZGSJ-QMMMGPOBSA-N -1 0 393.262 3.842 50 0 GHAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 ZINC000000807739 212184017 /nfs/dbraw/zinc/18/40/17/212184017.db2.gz GXEOVRJANCPJDZ-WMLDXEAASA-N -1 0 379.865 3.716 50 0 GHAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000002860513 220576313 /nfs/dbraw/zinc/57/63/13/220576313.db2.gz CLUCIOWWTLBRMT-MRXNPFEDSA-N -1 0 383.853 3.520 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[n-]c2=O)cc1 ZINC000004317396 220705321 /nfs/dbraw/zinc/70/53/21/220705321.db2.gz SDYSIJPHRQLDGH-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000006659089 220948601 /nfs/dbraw/zinc/94/86/01/220948601.db2.gz UUCODKWPSHWMDJ-UHFFFAOYSA-N -1 0 376.478 3.752 50 0 GHAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000008134739 221027886 /nfs/dbraw/zinc/02/78/86/221027886.db2.gz BDAMPDBECUDUIZ-UHFFFAOYSA-N -1 0 385.489 3.881 50 0 GHAARM Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccccc1Cl ZINC000008133078 221028288 /nfs/dbraw/zinc/02/82/88/221028288.db2.gz UIQFZFOMELDAKE-UHFFFAOYSA-N -1 0 389.893 3.726 50 0 GHAARM O=C([O-])c1cc(NC(=O)Cc2ccccc2)cc(NC(=O)Cc2ccccc2)c1 ZINC000008190075 221031064 /nfs/dbraw/zinc/03/10/64/221031064.db2.gz REZSQTDZJSOVOD-UHFFFAOYSA-N -1 0 388.423 3.747 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000009089896 221069788 /nfs/dbraw/zinc/06/97/88/221069788.db2.gz YMLQUSULRKRLFJ-LAUBAEHRSA-N -1 0 395.846 3.975 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c(C)c1 ZINC000009837487 221092651 /nfs/dbraw/zinc/09/26/51/221092651.db2.gz XAISBPHNOYQJQM-QZTJIDSGSA-N -1 0 382.851 3.759 50 0 GHAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000012613399 221214299 /nfs/dbraw/zinc/21/42/99/221214299.db2.gz JFCGISBOSDCLEW-MRXNPFEDSA-N -1 0 381.409 3.892 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 ZINC000012789420 221233121 /nfs/dbraw/zinc/23/31/21/221233121.db2.gz WZZATJRTWHGLPT-UHFFFAOYSA-N -1 0 398.484 3.532 50 0 GHAARM O=C([O-])c1sccc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000012923704 221246732 /nfs/dbraw/zinc/24/67/32/221246732.db2.gz TTYWLWQFIOEJEM-UHFFFAOYSA-N -1 0 389.857 3.592 50 0 GHAARM O=C([O-])c1cc2ccccc2cc1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000013050421 221259223 /nfs/dbraw/zinc/25/92/23/221259223.db2.gz KHOREIKJFMVUPX-GOSISDBHSA-N -1 0 377.396 3.557 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C(F)(F)F)c1 ZINC000014205407 221304709 /nfs/dbraw/zinc/30/47/09/221304709.db2.gz BVHUGOWCPPWULK-UHFFFAOYSA-N -1 0 394.321 3.743 50 0 GHAARM CCc1cccc(NC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015827074 221347096 /nfs/dbraw/zinc/34/70/96/221347096.db2.gz SPOCSBGESGLHAD-CQSZACIVSA-N -1 0 385.489 3.626 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2c(C)cccc2C)n([C@H](C)CC)c1=O ZINC000017086377 221380096 /nfs/dbraw/zinc/38/00/96/221380096.db2.gz FHQHAYBXVBTVHE-CQSZACIVSA-N -1 0 389.521 3.830 50 0 GHAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081509 221378404 /nfs/dbraw/zinc/37/84/04/221378404.db2.gz XVAVCBYNMLTFDK-CABCVRRESA-N -1 0 398.484 3.736 50 0 GHAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)[C@H](C(=O)[O-])C1 ZINC000017079694 221378514 /nfs/dbraw/zinc/37/85/14/221378514.db2.gz UFRIOHINGOWWGP-ZIAGYGMSSA-N -1 0 390.505 3.502 50 0 GHAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017080423 221378909 /nfs/dbraw/zinc/37/89/09/221378909.db2.gz NERKGFWGMFPGOH-FWIFWCIWSA-N -1 0 393.505 3.871 50 0 GHAARM CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000019923850 221463311 /nfs/dbraw/zinc/46/33/11/221463311.db2.gz RLJNEVNOGUQFCY-UHFFFAOYSA-N -1 0 388.832 3.590 50 0 GHAARM COc1ccc2nc([N-]S(=O)(=O)c3cc(-c4ccno4)cs3)sc2c1 ZINC000033169507 221776596 /nfs/dbraw/zinc/77/65/96/221776596.db2.gz JKESCBKBBDLOOB-UHFFFAOYSA-N -1 0 393.471 3.822 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1OC ZINC000065003737 222093328 /nfs/dbraw/zinc/09/33/28/222093328.db2.gz IHSFVVCZEKISOQ-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2ccnn2C)cs1 ZINC000065112367 222101096 /nfs/dbraw/zinc/10/10/96/222101096.db2.gz CCLWSWYYQZXSGV-UHFFFAOYSA-N -1 0 383.882 3.611 50 0 GHAARM COc1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)c1 ZINC000065150466 222104019 /nfs/dbraw/zinc/10/40/19/222104019.db2.gz RPWXOPUXNUNTMD-JTQLQIEISA-N -1 0 384.457 3.681 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)o1 ZINC000065194106 222108297 /nfs/dbraw/zinc/10/82/97/222108297.db2.gz KZSVRQJNPHYSHK-UHFFFAOYSA-N -1 0 398.847 3.594 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])c(Br)c1 ZINC000058380518 222050396 /nfs/dbraw/zinc/05/03/96/222050396.db2.gz XAPCHLQVSSOERL-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000058377198 222051536 /nfs/dbraw/zinc/05/15/36/222051536.db2.gz BIFUUDNIPQAVSB-UHFFFAOYSA-N -1 0 390.244 3.566 50 0 GHAARM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494471 222054279 /nfs/dbraw/zinc/05/42/79/222054279.db2.gz VZXWDWTWEQUZHS-UHFFFAOYSA-N -1 0 396.198 3.795 50 0 GHAARM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920171 222088098 /nfs/dbraw/zinc/08/80/98/222088098.db2.gz JALMKWOSROZYSX-UHFFFAOYSA-N -1 0 383.401 3.755 50 0 GHAARM CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)nc1 ZINC000067434089 222146797 /nfs/dbraw/zinc/14/67/97/222146797.db2.gz HFDGQWUXTOEDAL-UHFFFAOYSA-N -1 0 392.459 3.587 50 0 GHAARM COc1cccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c1OCCCn1ccnc1 ZINC000067654317 222151108 /nfs/dbraw/zinc/15/11/08/222151108.db2.gz UJYALCDYVOOAJA-UHFFFAOYSA-N -1 0 392.415 3.602 50 0 GHAARM COc1ccc(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000071405955 222183601 /nfs/dbraw/zinc/18/36/01/222183601.db2.gz HUIITDHBGGLFIT-ZDUSSCGKSA-N -1 0 381.350 3.986 50 0 GHAARM CO[C@@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000071746675 222187701 /nfs/dbraw/zinc/18/77/01/222187701.db2.gz DGSYLTLSSBNFFS-AWEZNQCLSA-N -1 0 389.473 3.544 50 0 GHAARM CC(C)c1cc(-c2cc(NCC(=O)[O-])nc3[nH]ccc32)nc(C(F)(F)F)n1 ZINC000072129135 222208656 /nfs/dbraw/zinc/20/86/56/222208656.db2.gz SQMICGQDNXFJKW-UHFFFAOYSA-N -1 0 379.342 3.659 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCN(C(=O)c3cnc(Nc4ccccc4)nc3)C2)cc1 ZINC000072169927 222214392 /nfs/dbraw/zinc/21/43/92/222214392.db2.gz PRPATLFDMCVJSB-KRWDZBQOSA-N -1 0 388.427 3.548 50 0 GHAARM O=C([O-])C1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCCCC1 ZINC000072276988 222218727 /nfs/dbraw/zinc/21/87/27/222218727.db2.gz UHDAFPCTJDDZSE-UHFFFAOYSA-N -1 0 376.840 3.831 50 0 GHAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1Cl ZINC000085664830 222324956 /nfs/dbraw/zinc/32/49/56/222324956.db2.gz RJBYZIBAOXVBHB-UHFFFAOYSA-N -1 0 399.881 3.610 50 0 GHAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(c2ccccc2Br)CC1 ZINC000079033450 222302241 /nfs/dbraw/zinc/30/22/41/222302241.db2.gz NXXMVSPXGZXQIU-UHFFFAOYSA-N -1 0 384.270 3.802 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)CCc2cn(C(C)C)c3ccccc23)sc1C ZINC000079490892 222306422 /nfs/dbraw/zinc/30/64/22/222306422.db2.gz VYAKVJMEGBZCQW-UHFFFAOYSA-N -1 0 385.489 3.767 50 0 GHAARM CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000096009479 222370704 /nfs/dbraw/zinc/37/07/04/222370704.db2.gz HFACBUWLOJEKIC-UHFFFAOYSA-N -1 0 386.242 3.900 50 0 GHAARM CCc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000096361107 222415123 /nfs/dbraw/zinc/41/51/23/222415123.db2.gz LAUZLEBTKNJAHU-UHFFFAOYSA-N -1 0 398.488 3.642 50 0 GHAARM O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CSc1nccn1C1CC1 ZINC000024752717 526345895 /nfs/dbraw/zinc/34/58/95/526345895.db2.gz GJBRWQLCWXAOFI-UHFFFAOYSA-N -1 0 386.260 3.954 50 0 GHAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000022626113 570223342 /nfs/dbraw/zinc/22/33/42/570223342.db2.gz PWIDUHAKVSKNCP-BMIGLBTASA-N -1 0 378.448 3.904 50 0 GHAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2)CC(=O)N3)c1 ZINC000049543365 570268506 /nfs/dbraw/zinc/26/85/06/570268506.db2.gz PAXHOVIRMBAOQT-OAHLLOKOSA-N -1 0 392.411 3.667 50 0 biogenic GHAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(F)c(Cl)c1 ZINC000020606330 570271182 /nfs/dbraw/zinc/27/11/82/570271182.db2.gz XREHDJRQVVVFNS-RDJZCZTQSA-N -1 0 397.855 3.855 50 0 GHAARM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3c(F)cccc3F)cc2)CC1 ZINC000119826346 570305051 /nfs/dbraw/zinc/30/50/51/570305051.db2.gz DASPNFJPYDUAJA-UHFFFAOYSA-N -1 0 394.443 3.638 50 0 GHAARM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-] ZINC000002836792 570306366 /nfs/dbraw/zinc/30/63/66/570306366.db2.gz JWYBBWKLYVIXSC-CYBMUJFWSA-N -1 0 385.416 3.841 50 0 GHAARM C[C@H]1C[C@H](C)CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])C1 ZINC000004297035 570366176 /nfs/dbraw/zinc/36/61/76/570366176.db2.gz XCDSCWAYQOCMPY-GJZGRUSLSA-N -1 0 388.489 3.668 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)nc1 ZINC000024831162 570394692 /nfs/dbraw/zinc/39/46/92/570394692.db2.gz WEFAGDGVGJFSNA-UHFFFAOYSA-N -1 0 399.447 3.891 50 0 GHAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000024432887 570402238 /nfs/dbraw/zinc/40/22/38/570402238.db2.gz PGKYGOXJERKDBI-UHFFFAOYSA-N -1 0 397.733 3.997 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000238067550 570423107 /nfs/dbraw/zinc/42/31/07/570423107.db2.gz YDRBCKJQTOTTBG-HZPDHXFCSA-N -1 0 386.275 3.579 50 0 GHAARM O=C(CSc1n[n-]c(=S)s1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000135601452 570471217 /nfs/dbraw/zinc/47/12/17/570471217.db2.gz DTSZPUFDNMMAMZ-UHFFFAOYSA-N -1 0 392.358 3.811 50 0 GHAARM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274836 570523345 /nfs/dbraw/zinc/52/33/45/570523345.db2.gz ARQMTFQMMPSGHS-UHFFFAOYSA-N -1 0 390.480 3.574 50 0 GHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sc3c(c21)CCC3 ZINC000000784789 570533846 /nfs/dbraw/zinc/53/38/46/570533846.db2.gz DECNUKQVWZSGPK-OAHLLOKOSA-N -1 0 378.457 3.769 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000001131059 570534986 /nfs/dbraw/zinc/53/49/86/570534986.db2.gz QVLXJLPOVGFCRS-RBUKOAKNSA-N -1 0 394.427 3.553 50 0 GHAARM COc1ccc(C(=O)CC(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000001278246 570535764 /nfs/dbraw/zinc/53/57/64/570535764.db2.gz YJSAWPAYYVLPBH-UHFFFAOYSA-N -1 0 381.306 3.624 50 0 GHAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000006732871 570558072 /nfs/dbraw/zinc/55/80/72/570558072.db2.gz UMNFPFQDANWUAV-UHFFFAOYSA-N -1 0 399.472 3.961 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccccc2C)c(C(=O)[O-])c1 ZINC000033007364 570619897 /nfs/dbraw/zinc/61/98/97/570619897.db2.gz GZMXFSSFAOERDG-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM CN(C)c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000225849434 570626148 /nfs/dbraw/zinc/62/61/48/570626148.db2.gz NMTPUCFPTXFREZ-IBGZPJMESA-N -1 0 399.878 3.949 50 0 GHAARM O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[n-]c2ccsc21 ZINC000036385494 570657596 /nfs/dbraw/zinc/65/75/96/570657596.db2.gz XMPPHSMYQRQYRM-OAHLLOKOSA-N -1 0 383.473 3.895 50 0 GHAARM O=C([O-])c1noc2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000399919300 570735052 /nfs/dbraw/zinc/73/50/52/570735052.db2.gz PAXCBNILDDPMQL-UHFFFAOYSA-N -1 0 390.395 3.680 50 0 GHAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007005227 570736004 /nfs/dbraw/zinc/73/60/04/570736004.db2.gz OAVKPSBZWJJEKZ-UHFFFAOYSA-N -1 0 376.409 3.907 50 0 GHAARM CC(C)(C)c1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004426259 570760050 /nfs/dbraw/zinc/76/00/50/570760050.db2.gz IEVYXYUHJVJZDW-HXUWFJFHSA-N -1 0 394.471 3.656 50 0 biogenic GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000238010176 570776672 /nfs/dbraw/zinc/77/66/72/570776672.db2.gz UPKGFXZZFLRUBK-CYBMUJFWSA-N -1 0 376.840 3.641 50 0 GHAARM O=C([O-])C1CCC(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000263487373 570793503 /nfs/dbraw/zinc/79/35/03/570793503.db2.gz PVSPUHBPCKLENE-CNBHCMJISA-N -1 0 378.472 3.987 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101167642 570814854 /nfs/dbraw/zinc/81/48/54/570814854.db2.gz STCXKMXIVAXZFZ-CVEARBPZSA-N -1 0 388.349 3.507 50 0 GHAARM C[C@@H](NC(=O)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000101722704 570829820 /nfs/dbraw/zinc/82/98/20/570829820.db2.gz XBBFLLCSGJLPOD-MRXNPFEDSA-N -1 0 399.450 3.641 50 0 GHAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)cc1 ZINC000101803144 570835272 /nfs/dbraw/zinc/83/52/72/570835272.db2.gz TXYUKUYUAARMJC-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCCCC1 ZINC000101831100 570836183 /nfs/dbraw/zinc/83/61/83/570836183.db2.gz BSINSUMRAUPFJO-UHFFFAOYSA-N -1 0 382.489 3.565 50 0 GHAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000102818629 570865367 /nfs/dbraw/zinc/86/53/67/570865367.db2.gz WUNPXYSLXAANRA-DLBZAZTESA-N -1 0 384.823 3.545 50 0 GHAARM CC(C)(C)c1nnc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)s1 ZINC000102997513 570873098 /nfs/dbraw/zinc/87/30/98/570873098.db2.gz FFEWKKTWQVCBFP-UHFFFAOYSA-N -1 0 388.474 3.940 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc2[n-]c1=S ZINC000103124877 570876360 /nfs/dbraw/zinc/87/63/60/570876360.db2.gz JKVLBJVLXCAZPM-UHFFFAOYSA-N -1 0 378.457 3.747 50 0 GHAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000002096998 570941376 /nfs/dbraw/zinc/94/13/76/570941376.db2.gz ZXTACEYMPBZJEH-SFHVURJKSA-N -1 0 399.443 3.622 50 0 biogenic GHAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002103488 570942569 /nfs/dbraw/zinc/94/25/69/570942569.db2.gz MANXQZCGQHSQKH-KRWDZBQOSA-N -1 0 399.443 3.767 50 0 biogenic GHAARM COc1cccc(OC)c1-c1oc2c(c1CC(=O)[O-])c(=O)oc1ccccc21 ZINC000524731498 570979887 /nfs/dbraw/zinc/97/98/87/570979887.db2.gz ABCLBWQYYRMMJR-UHFFFAOYSA-N -1 0 380.352 3.851 50 0 biogenic GHAARM C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000045900294 570999925 /nfs/dbraw/zinc/99/99/25/570999925.db2.gz NWERTUIVHBWPDT-NSHDSACASA-N -1 0 386.395 3.568 50 0 GHAARM O=C([O-])CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000097000226 601837341 /nfs/dbraw/zinc/83/73/41/601837341.db2.gz WUONOGGZLQOHJO-UHFFFAOYSA-N -1 0 399.818 3.624 50 0 GHAARM O=C(Nc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000004809307 842475777 /nfs/dbraw/zinc/47/57/77/842475777.db2.gz NUFGXKLVGQIDBG-UHFFFAOYSA-N -1 0 392.437 3.727 50 0 GHAARM C[C@H]1CCCC[C@@H]1NC(=O)CCCCn1c(=O)c2sccc2[n-]c1=S ZINC000002925476 861799652 /nfs/dbraw/zinc/79/96/52/861799652.db2.gz MVTMKEGACGXMGE-STQMWFEESA-N -1 0 379.551 3.986 50 0 GHAARM COc1ccc(NC(=O)CCCCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002925480 861799886 /nfs/dbraw/zinc/79/98/86/861799886.db2.gz JTXKCQLUDBTXNR-UHFFFAOYSA-N -1 0 389.502 3.938 50 0 GHAARM O=C([O-])[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000263031414 862582761 /nfs/dbraw/zinc/58/27/61/862582761.db2.gz CHBXQJCWPACTAW-UONOGXRCSA-N -1 0 398.768 3.694 50 0 GHAARM COc1cc([N-]S(=O)(=O)c2cccs2)ccc1NC(=O)OC(C)(C)C ZINC000040122756 856671447 /nfs/dbraw/zinc/67/14/47/856671447.db2.gz ZVOIKXLJEYDJOC-UHFFFAOYSA-N -1 0 384.479 3.905 50 0 GHAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000009013857 856703213 /nfs/dbraw/zinc/70/32/13/856703213.db2.gz XHVWUJSFXJKTCM-VHEBQXMUSA-N -1 0 393.443 3.753 50 0 GHAARM Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000253411926 856980073 /nfs/dbraw/zinc/98/00/73/856980073.db2.gz PHSZEZZSNBBIGD-UHFFFAOYSA-N -1 0 387.455 3.608 50 0 GHAARM COc1ccc([C@H](CC(=O)Nc2cccc(C)c2)[N-]C(=O)C(F)(F)F)cc1 ZINC000096562293 860984066 /nfs/dbraw/zinc/98/40/66/860984066.db2.gz YJBUZHJYLNEZAN-INIZCTEOSA-N -1 0 380.366 3.752 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1-c1nnc(C2CC2)o1 ZINC000096379641 914443075 /nfs/dbraw/zinc/44/30/75/914443075.db2.gz KQTXDIDEAVXLMU-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Br)c2)c1C ZINC000006919657 230854020 /nfs/dbraw/zinc/85/40/20/230854020.db2.gz ROUOIYSNDGMWTQ-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C([O-])c1ccc(CCNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1 ZINC000225446278 222678750 /nfs/dbraw/zinc/67/87/50/222678750.db2.gz NCEBNCKNUDUYHV-NRFANRHFSA-N -1 0 375.424 3.864 50 0 GHAARM CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002058356 291131569 /nfs/dbraw/zinc/13/15/69/291131569.db2.gz HYLVOBYVKYVWPH-MRXNPFEDSA-N -1 0 396.871 3.758 50 0 biogenic,in-vitro GHAARM CCOC(=O)c1csc([N-]c2ncc(C)c(-c3ccc(OC)c(F)c3)n2)n1 ZINC000001384539 212241210 /nfs/dbraw/zinc/24/12/10/212241210.db2.gz GYVYNNJKAIWUEA-UHFFFAOYSA-N -1 0 388.424 3.977 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)[O-] ZINC000001176388 212225993 /nfs/dbraw/zinc/22/59/93/212225993.db2.gz RCBAVIICQDQUSE-RYUDHWBXSA-N -1 0 385.869 3.714 50 0 GHAARM Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000001034673 212207259 /nfs/dbraw/zinc/20/72/59/212207259.db2.gz XGGMZFYBEOQGBA-UHFFFAOYSA-N -1 0 381.379 3.907 50 0 GHAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F ZINC000000807764 212183928 /nfs/dbraw/zinc/18/39/28/212183928.db2.gz WUSNVOXWCRLSLK-QAPCUYQASA-N -1 0 377.437 3.592 50 0 GHAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002117677 212145199 /nfs/dbraw/zinc/14/51/99/212145199.db2.gz CTOQMBWDDNGOOI-MRXNPFEDSA-N -1 0 399.443 3.667 50 0 biogenic GHAARM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000328595839 212083304 /nfs/dbraw/zinc/08/33/04/212083304.db2.gz GGVNHSVGNJMHEC-UHFFFAOYSA-N -1 0 380.775 3.701 50 0 GHAARM O=C([O-])CCN1C(=O)c2ccccc2/C(=C/c2ccc(C(F)(F)F)cc2)C1=O ZINC000007063161 220985140 /nfs/dbraw/zinc/98/51/40/220985140.db2.gz ISGHVQCUOVHWAL-WJDWOHSUSA-N -1 0 389.329 3.703 50 0 GHAARM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccccc1)C2=O ZINC000008971300 221066540 /nfs/dbraw/zinc/06/65/40/221066540.db2.gz AUHZXRJPXGQCOE-QHCPKHFHSA-N -1 0 385.423 3.942 50 0 GHAARM CCOC(=O)c1ccc(-c2ccc(C=C(Sc3nc(C)n[nH]3)C(=O)[O-])o2)cc1 ZINC000009242486 221076112 /nfs/dbraw/zinc/07/61/12/221076112.db2.gz PNAALEOENQUHLP-MHWRWJLKSA-N -1 0 399.428 3.768 50 0 GHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1F ZINC000012585126 221210018 /nfs/dbraw/zinc/21/00/18/221210018.db2.gz PZGOUAVZYGMCAI-UHFFFAOYSA-N -1 0 395.456 3.976 50 0 GHAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012604599 221214163 /nfs/dbraw/zinc/21/41/63/221214163.db2.gz QGBLDBUMEMLWAO-UHFFFAOYSA-N -1 0 398.459 3.865 50 0 GHAARM O=C([O-])COc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 ZINC000013690888 221281811 /nfs/dbraw/zinc/28/18/11/221281811.db2.gz IYAWNDVVPPNPDL-UHFFFAOYSA-N -1 0 380.274 3.822 50 0 GHAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2s1 ZINC000015870422 221351191 /nfs/dbraw/zinc/35/11/91/221351191.db2.gz MVTWSPCWHSGJHW-UHFFFAOYSA-N -1 0 393.465 3.975 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C(=O)OC ZINC000017077599 221377699 /nfs/dbraw/zinc/37/76/99/221377699.db2.gz DLDWQBATFDXEHC-KBPBESRZSA-N -1 0 379.478 3.791 50 0 GHAARM CC(C)CC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589783 136157099 /nfs/dbraw/zinc/15/70/99/136157099.db2.gz PQTUAIZQLSPVBH-UHFFFAOYSA-N -1 0 381.476 3.696 50 0 GHAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1O ZINC000049548934 222000374 /nfs/dbraw/zinc/00/03/74/222000374.db2.gz MLSOWHZBEYOQLO-AWEZNQCLSA-N -1 0 396.374 3.503 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1 ZINC000065031376 222096578 /nfs/dbraw/zinc/09/65/78/222096578.db2.gz HSKINYOCSKINJA-UHFFFAOYSA-N -1 0 391.474 3.779 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c(OC)c1 ZINC000065031203 222096839 /nfs/dbraw/zinc/09/68/39/222096839.db2.gz NUZSFPNUBMAHPW-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(CC)o3)cs2)cc1 ZINC000065098636 222100664 /nfs/dbraw/zinc/10/06/64/222100664.db2.gz SWZYSBJQNACBRA-UHFFFAOYSA-N -1 0 379.463 3.560 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)o1 ZINC000065194080 222108305 /nfs/dbraw/zinc/10/83/05/222108305.db2.gz GXXMLNFSBPLODI-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cc2C1 ZINC000065196152 222110394 /nfs/dbraw/zinc/11/03/94/222110394.db2.gz WKFGMOCCOJJUSO-UHFFFAOYSA-N -1 0 398.937 3.805 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879407 222069297 /nfs/dbraw/zinc/06/92/97/222069297.db2.gz URBYIEZHWCRFBP-UHFFFAOYSA-N -1 0 394.499 3.823 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000064947303 222089397 /nfs/dbraw/zinc/08/93/97/222089397.db2.gz FQOVHJIPJBIWBY-UHFFFAOYSA-N -1 0 389.452 3.828 50 0 GHAARM CC1(C)CC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c2ccccc21 ZINC000065587907 222135960 /nfs/dbraw/zinc/13/59/60/222135960.db2.gz BROYXQWANHXWJB-INIZCTEOSA-N -1 0 379.485 3.754 50 0 GHAARM Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3Cl)[nH]n2)s1 ZINC000095518036 222343719 /nfs/dbraw/zinc/34/37/19/222343719.db2.gz NXLADQNYUJDPRX-OAHLLOKOSA-N -1 0 375.837 3.656 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000078877912 222298973 /nfs/dbraw/zinc/29/89/73/222298973.db2.gz ODHPRCSTGLMJSM-UHFFFAOYSA-N -1 0 387.379 3.907 50 0 GHAARM O=C([O-])C1(NC(=O)c2cc3c(s2)-c2ccccc2OC3)Cc2ccccc2C1 ZINC000095969969 222368198 /nfs/dbraw/zinc/36/81/98/222368198.db2.gz YJKNNWLBASPXLI-UHFFFAOYSA-N -1 0 391.448 3.660 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c(C)c1 ZINC000101418582 222472048 /nfs/dbraw/zinc/47/20/48/222472048.db2.gz XAISBPHNOYQJQM-ROUUACIJSA-N -1 0 382.851 3.759 50 0 GHAARM Cc1nc(-c2ccccc2F)sc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245283702 526605570 /nfs/dbraw/zinc/60/55/70/526605570.db2.gz OISDKKMMQPPMNW-JOCQHMNTSA-N -1 0 376.453 3.878 50 0 GHAARM COc1cccc([C@@H]2C[C@H]2C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237306619 570231539 /nfs/dbraw/zinc/23/15/39/570231539.db2.gz DAGHITQGASCTTN-DLBZAZTESA-N -1 0 389.398 3.580 50 0 GHAARM COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000001164590 570252357 /nfs/dbraw/zinc/25/23/57/570252357.db2.gz JYJPXDFUERMLQR-UHFFFAOYSA-N -1 0 389.363 3.986 50 0 GHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000020614745 570272479 /nfs/dbraw/zinc/27/24/79/570272479.db2.gz CNOYPNGFHUQFTP-UHFFFAOYSA-N -1 0 378.413 3.647 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3c(F)cccc3Cl)c2)cc1 ZINC000000650838 570281343 /nfs/dbraw/zinc/28/13/43/570281343.db2.gz HFTRVUJEVXVQIP-UHFFFAOYSA-N -1 0 395.843 3.533 50 0 GHAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)c1 ZINC000034765057 570333122 /nfs/dbraw/zinc/33/31/22/570333122.db2.gz AZUVOILPLIGHBT-OAHLLOKOSA-N -1 0 386.496 3.516 50 0 GHAARM CCCCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccccc2)c1=O ZINC000100512542 570380135 /nfs/dbraw/zinc/38/01/35/570380135.db2.gz ZYFYENMUGDNXCT-UHFFFAOYSA-N -1 0 378.472 3.870 50 0 GHAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000004594728 570386642 /nfs/dbraw/zinc/38/66/42/570386642.db2.gz UWMSSZZGMUTOIB-QPJJXVBHSA-N -1 0 386.864 3.683 50 0 GHAARM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237644193 570386961 /nfs/dbraw/zinc/38/69/61/570386961.db2.gz DTUDKMCCSOFOBI-SFHVURJKSA-N -1 0 394.880 3.621 50 0 GHAARM O=C([O-])c1cc(NCc2cccc(Br)c2)ccc1N1CCOCC1 ZINC000004705124 570396092 /nfs/dbraw/zinc/39/60/92/570396092.db2.gz WOUHZLKXJDOBNZ-UHFFFAOYSA-N -1 0 391.265 3.596 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)nc2)no1 ZINC000024990646 570402270 /nfs/dbraw/zinc/40/22/70/570402270.db2.gz ZAPVODKNKBQBMD-UHFFFAOYSA-N -1 0 381.866 3.983 50 0 GHAARM CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCCC(=O)[O-] ZINC000035671868 570411886 /nfs/dbraw/zinc/41/18/86/570411886.db2.gz IWYKHGSMZDARPQ-ZHACJKMWSA-N -1 0 394.364 3.623 50 0 GHAARM Cc1oc(CN(C)C(=O)C2(c3ccccc3Cl)CCOCC2)cc1C(=O)[O-] ZINC000268922593 570468806 /nfs/dbraw/zinc/46/88/06/570468806.db2.gz BSMILVLLWZLWTA-UHFFFAOYSA-N -1 0 391.851 3.646 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000002804993 570517629 /nfs/dbraw/zinc/51/76/29/570517629.db2.gz KPADXKGOEGPHOL-UHFFFAOYSA-N -1 0 395.843 3.533 50 0 GHAARM CC(C)(C)c1cc(C2N=NC(=S)N2c2ccc(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC000006659248 570522815 /nfs/dbraw/zinc/52/28/15/570522815.db2.gz YTFSGYBTALVIMH-UHFFFAOYSA-N -1 0 377.857 3.595 50 0 GHAARM CCc1cc(-c2[nH]nc(C(=O)[O-])c2-c2ccc3c(c2)OCCCO3)c(O)cc1O ZINC000005247960 570524798 /nfs/dbraw/zinc/52/47/98/570524798.db2.gz BBZBAJRODFYLQV-UHFFFAOYSA-N -1 0 396.399 3.577 50 0 GHAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002838257 570533184 /nfs/dbraw/zinc/53/31/84/570533184.db2.gz RDAAAODXZHZNMQ-ROUUACIJSA-N -1 0 378.428 3.853 50 0 GHAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cccc2c1CCCC2 ZINC000022834079 570554637 /nfs/dbraw/zinc/55/46/37/570554637.db2.gz NVKXCBGAWPSSOV-UHFFFAOYSA-N -1 0 379.485 3.967 50 0 GHAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(F)c2)C1 ZINC000032971139 570555186 /nfs/dbraw/zinc/55/51/86/570555186.db2.gz NIYIXBDVZXRYNW-CYBMUJFWSA-N -1 0 392.452 3.561 50 0 GHAARM O=C([O-])c1cccc(CCNC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1 ZINC000225553036 570587511 /nfs/dbraw/zinc/58/75/11/570587511.db2.gz AQQNQIWUZIIKBE-NRFANRHFSA-N -1 0 375.424 3.864 50 0 GHAARM CCOc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(F)c(F)c32)cc1F ZINC000005475714 570606649 /nfs/dbraw/zinc/60/66/49/570606649.db2.gz IEEVESVCINDQRU-UHFFFAOYSA-N -1 0 381.281 3.644 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000001174777 570713349 /nfs/dbraw/zinc/71/33/49/570713349.db2.gz FJSMSQUJZRJWGD-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000032686409 570740305 /nfs/dbraw/zinc/74/03/05/570740305.db2.gz XLSREKOTQBDLTH-UHFFFAOYSA-N -1 0 376.434 3.640 50 0 GHAARM Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000170067749 570799789 /nfs/dbraw/zinc/79/97/89/570799789.db2.gz WESDGLHMDXCVEG-UHFFFAOYSA-N -1 0 391.471 3.697 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000004482460 570804431 /nfs/dbraw/zinc/80/44/31/570804431.db2.gz MRWFSYNBVYWNMS-QWHCGFSZSA-N -1 0 395.868 3.600 50 0 GHAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccccc1F ZINC000005948625 570807741 /nfs/dbraw/zinc/80/77/41/570807741.db2.gz IPQVFCJNUPCZTE-UHFFFAOYSA-N -1 0 377.350 3.726 50 0 GHAARM Cc1ccc(N(C(=O)c2ccco2)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000101160156 570814919 /nfs/dbraw/zinc/81/49/19/570814919.db2.gz AEUKKKZPHLPQCY-LJQANCHMSA-N -1 0 388.423 3.875 50 0 GHAARM CCOc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)cs3)c2=O)cc1 ZINC000101832767 570836624 /nfs/dbraw/zinc/83/66/24/570836624.db2.gz DDBBLMZPCYRILI-UHFFFAOYSA-N -1 0 386.477 3.621 50 0 GHAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccc(C)cc1 ZINC000004690938 570840020 /nfs/dbraw/zinc/84/00/20/570840020.db2.gz QDRPEESABGRRDK-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM CSc1ccccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000102137662 570841703 /nfs/dbraw/zinc/84/17/03/570841703.db2.gz NADJMFUSJPDZOQ-UHFFFAOYSA-N -1 0 391.518 3.517 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2[n-]c1=S ZINC000102167414 570843465 /nfs/dbraw/zinc/84/34/65/570843465.db2.gz LXFGNMWVBJVVEG-KRWDZBQOSA-N -1 0 379.485 3.513 50 0 GHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2[n-]c1=S ZINC000032843844 570852406 /nfs/dbraw/zinc/85/24/06/570852406.db2.gz UIIRXEQQYCFWEX-UHFFFAOYSA-N -1 0 397.500 3.591 50 0 GHAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000012552551 570856343 /nfs/dbraw/zinc/85/63/43/570856343.db2.gz YGCPJZRCCUUVLY-UHFFFAOYSA-N -1 0 384.379 3.633 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253633 570861369 /nfs/dbraw/zinc/86/13/69/570861369.db2.gz KNQSZUNUNJQNQJ-UHFFFAOYSA-N -1 0 390.505 3.957 50 0 GHAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)c1 ZINC000102818533 570865371 /nfs/dbraw/zinc/86/53/71/570865371.db2.gz NDXJMMADIJLPDS-HOTGVXAUSA-N -1 0 388.349 3.820 50 0 GHAARM CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000004551460 570871917 /nfs/dbraw/zinc/87/19/17/570871917.db2.gz YHQSHIIGSJJNMD-ZDUSSCGKSA-N -1 0 386.473 3.997 50 0 GHAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000071285244 570888358 /nfs/dbraw/zinc/88/83/58/570888358.db2.gz FMBJRVPRJNRNMJ-CVEARBPZSA-N -1 0 388.370 3.512 50 0 GHAARM Cc1nn(-c2ccc(C(=O)NCC3(C4CC4)CCC3)cc2)c(C)c1CCC(=O)[O-] ZINC000193020434 570923753 /nfs/dbraw/zinc/92/37/53/570923753.db2.gz GDLOMUOHENRNOQ-UHFFFAOYSA-N -1 0 395.503 3.816 50 0 GHAARM O=C([O-])c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000006494289 570929156 /nfs/dbraw/zinc/92/91/56/570929156.db2.gz BPDFEBWUNNDLMV-UHFFFAOYSA-N -1 0 388.836 3.554 50 0 GHAARM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032106681 570960801 /nfs/dbraw/zinc/96/08/01/570960801.db2.gz NADDDQLQHARUQE-GOSISDBHSA-N -1 0 389.908 3.826 50 0 GHAARM CC(=O)N(c1nc(/C=C(/C#N)C(=O)[O-])cs1)c1cccc(C(F)(F)F)c1 ZINC000071925905 570985951 /nfs/dbraw/zinc/98/59/51/570985951.db2.gz ZUCOXJPSHMLCAQ-YHYXMXQVSA-N -1 0 381.335 3.838 50 0 GHAARM Cc1c(C(=O)NCCCCCC(=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 ZINC000170672101 571008029 /nfs/dbraw/zinc/00/80/29/571008029.db2.gz YLKLVGYLQBXXDO-UHFFFAOYSA-N -1 0 392.459 3.618 50 0 GHAARM COc1ccc(NC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(OC)c1 ZINC000095364120 571057481 /nfs/dbraw/zinc/05/74/81/571057481.db2.gz LJGORQXIDPSYFR-INIZCTEOSA-N -1 0 384.432 3.814 50 0 GHAARM C/C(=C\C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000584908398 600966652 /nfs/dbraw/zinc/96/66/52/600966652.db2.gz IFOJBBUBFXKOQF-OUKQBFOZSA-N -1 0 385.382 3.591 50 0 GHAARM Cc1cc(OCCCOc2cccc(/C=C3\NC(=O)[N-]C3=O)c2)ccc1Cl ZINC000027552186 855188037 /nfs/dbraw/zinc/18/80/37/855188037.db2.gz RXYCKSVRULLYKE-PDGQHHTCSA-N -1 0 386.835 3.677 50 0 GHAARM C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032147264 862824930 /nfs/dbraw/zinc/82/49/30/862824930.db2.gz FGVYIDJETXUNNR-WMLDXEAASA-N -1 0 392.546 3.786 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1 ZINC000040267802 856718189 /nfs/dbraw/zinc/71/81/89/856718189.db2.gz CRMZJYVBTGIJBN-SFHVURJKSA-N -1 0 396.834 3.941 50 0 GHAARM O=C([O-])Cc1csc(CNC(=O)OCC2c3ccccc3-c3ccccc32)n1 ZINC000616580533 860176836 /nfs/dbraw/zinc/17/68/36/860176836.db2.gz YHIDZVSKOKETHF-UHFFFAOYSA-N -1 0 394.452 3.809 50 0 GHAARM Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3CCCC2)cc1 ZINC000002271981 860560007 /nfs/dbraw/zinc/56/00/07/860560007.db2.gz MWAFRRRUWPLBCR-UHFFFAOYSA-N -1 0 386.498 3.811 50 0 GHAARM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000095447971 860584430 /nfs/dbraw/zinc/58/44/30/860584430.db2.gz UPFSOSRRPFLWPZ-UHFFFAOYSA-N -1 0 393.408 3.971 50 0 GHAARM Cc1ccncc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000095453621 860588167 /nfs/dbraw/zinc/58/81/67/860588167.db2.gz ZVMORSMGGZQHHP-UHFFFAOYSA-N -1 0 379.638 3.746 50 0 GHAARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000033932409 864790321 /nfs/dbraw/zinc/79/03/21/864790321.db2.gz VMYUDEPIIWCEMC-WJDWOHSUSA-N -1 0 396.399 3.696 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)cc2=O)cc1 ZINC000467553552 865492000 /nfs/dbraw/zinc/49/20/00/865492000.db2.gz KEUODPRSBIYUCB-KRWDZBQOSA-N -1 0 393.340 3.647 50 0 GHAARM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000181754454 871462395 /nfs/dbraw/zinc/46/23/95/871462395.db2.gz WWLBBPAUJDMYEH-UHFFFAOYSA-N -1 0 376.507 3.772 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1 ZINC000066087883 878076854 /nfs/dbraw/zinc/07/68/54/878076854.db2.gz NGUQWKIBEIDWDD-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)c(Br)cc2F)CC1 ZINC000630569605 903450699 /nfs/dbraw/zinc/45/06/99/903450699.db2.gz SLUBJOIZYRAEJA-UHFFFAOYSA-N -1 0 393.640 3.960 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CC[C@]3(c4ccccc4)[C@H](C2)C3(F)F)c(F)c1 ZINC000952886822 904644329 /nfs/dbraw/zinc/64/43/29/904644329.db2.gz OMPKJPUFBOJLRF-LPHOPBHVSA-N -1 0 375.346 3.573 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N3CC[C@H](C(F)(F)F)C(C)(C)C3)cc2=O)cc1 ZINC000190691295 906225836 /nfs/dbraw/zinc/22/58/36/906225836.db2.gz POLJYHWCKRWFDV-HNNXBMFYSA-N -1 0 381.398 3.525 50 0 GHAARM O=C([O-])c1cc([N-][NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Cl ZINC000254488339 916755615 /nfs/dbraw/zinc/75/56/15/916755615.db2.gz AMKSKSWNAPABNG-UHFFFAOYSA-N -1 0 388.811 3.993 50 0 GHAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000091585873 230964193 /nfs/dbraw/zinc/96/41/93/230964193.db2.gz KXZMFAFYCCTQBR-SFHVURJKSA-N -1 0 375.428 3.517 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000120233882 231025623 /nfs/dbraw/zinc/02/56/23/231025623.db2.gz OAZSYKPSAZQETG-QAPCUYQASA-N -1 0 386.835 3.505 50 0 GHAARM Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1nsc(-c2ccccc2)n1 ZINC000225606415 222686559 /nfs/dbraw/zinc/68/65/59/222686559.db2.gz ZDPNTVPEIDPYLK-UHFFFAOYSA-N -1 0 391.522 3.574 50 0 GHAARM CCOc1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1OCC(=O)[O-] ZINC000299750896 222784892 /nfs/dbraw/zinc/78/48/92/222784892.db2.gz ORLZBDBCFJPDNW-AWEZNQCLSA-N -1 0 375.446 3.588 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000001200861 212228107 /nfs/dbraw/zinc/22/81/07/212228107.db2.gz KWGFHDLSIVONRL-VHSXEESVSA-N -1 0 383.267 3.888 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1 ZINC000001077566 212214830 /nfs/dbraw/zinc/21/48/30/212214830.db2.gz QCKNRGCOQBVXRU-UHFFFAOYSA-N -1 0 378.881 3.685 50 0 GHAARM Cc1cc([N-]C(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)no1 ZINC000001042114 212208620 /nfs/dbraw/zinc/20/86/20/212208620.db2.gz YVSKTXFCWPFLCM-UHFFFAOYSA-N -1 0 381.276 3.954 50 0 GHAARM Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001060696 212210890 /nfs/dbraw/zinc/21/08/90/212210890.db2.gz JITBZEXMPJKBOA-HNNXBMFYSA-N -1 0 375.833 3.771 50 0 GHAARM NC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000001026186 212206276 /nfs/dbraw/zinc/20/62/76/212206276.db2.gz IZVNXDPUYWMFBP-UHFFFAOYSA-N -1 0 385.681 3.608 50 0 GHAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(Cl)cc1 ZINC000000807736 212183874 /nfs/dbraw/zinc/18/38/74/212183874.db2.gz GXEOVRJANCPJDZ-PBHICJAKSA-N -1 0 379.865 3.716 50 0 GHAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1 ZINC000000807763 212183779 /nfs/dbraw/zinc/18/37/79/212183779.db2.gz XAVZZPVOFMSZEX-MAUKXSAKSA-N -1 0 377.437 3.592 50 0 GHAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000000644949 212167958 /nfs/dbraw/zinc/16/79/58/212167958.db2.gz LJDMFQZNRGJEDC-SFHVURJKSA-N -1 0 394.427 3.656 50 0 GHAARM O=C([N-]C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(Cl)(Cl)Cl ZINC000003177401 220608010 /nfs/dbraw/zinc/60/80/10/220608010.db2.gz DIAMMJUFENOIKH-UHFFFAOYSA-N -1 0 399.872 3.968 50 0 GHAARM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007989409 221021800 /nfs/dbraw/zinc/02/18/00/221021800.db2.gz KSOWQDDLERFSHZ-UHFFFAOYSA-N -1 0 396.877 3.725 50 0 GHAARM O=c1nc(CSc2nnc(-c3c[nH]c4ccccc43)o2)[n-]c2ccsc21 ZINC000008135271 221028307 /nfs/dbraw/zinc/02/83/07/221028307.db2.gz WWFSJWGSQHDDDI-UHFFFAOYSA-N -1 0 381.442 3.808 50 0 GHAARM Cc1ccc(C2=Nn3c(nnc3-c3ccccc3F)S[C@H]2CC(=O)[O-])cc1 ZINC000008391813 221039926 /nfs/dbraw/zinc/03/99/26/221039926.db2.gz JLVCDXOBIDZNIA-HNNXBMFYSA-N -1 0 382.420 3.594 50 0 GHAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(CSc2ccccc2)s1 ZINC000009356471 221079492 /nfs/dbraw/zinc/07/94/92/221079492.db2.gz QZEMFKQGGWQEIF-UHFFFAOYSA-N -1 0 377.516 3.772 50 0 GHAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1cccc([C@@H](C)O)c1 ZINC000009530504 221083586 /nfs/dbraw/zinc/08/35/86/221083586.db2.gz CZAOXLXXLZXXIN-LLVKDONJSA-N -1 0 387.819 3.695 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000010514376 221104445 /nfs/dbraw/zinc/10/44/45/221104445.db2.gz FFGCZFCCLOJJQZ-UHFFFAOYSA-N -1 0 375.368 3.832 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1C(=O)N1CCCCC1 ZINC000009684365 221088572 /nfs/dbraw/zinc/08/85/72/221088572.db2.gz VXMZONDMOCGZMZ-UHFFFAOYSA-N -1 0 395.912 3.712 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1 ZINC000009686557 221089650 /nfs/dbraw/zinc/08/96/50/221089650.db2.gz OYOVCQWSPJTRTB-UHFFFAOYSA-N -1 0 383.882 3.909 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000009837451 221092579 /nfs/dbraw/zinc/09/25/79/221092579.db2.gz JUWYYFHKXWWBCN-MSOLQXFVSA-N -1 0 382.851 3.759 50 0 GHAARM C[C@@](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000012972012 221250339 /nfs/dbraw/zinc/25/03/39/221250339.db2.gz BVKNNPHVIDDDMS-QHCPKHFHSA-N -1 0 394.471 3.730 50 0 GHAARM Cc1ccc(NC(=O)C[C@H]2N=C(Nc3ccc(Cl)cc3Cl)N=C2[O-])cc1 ZINC000013692802 221281848 /nfs/dbraw/zinc/28/18/48/221281848.db2.gz RTFOYYCPJHAHHS-OAHLLOKOSA-N -1 0 391.258 3.597 50 0 GHAARM Cc1c([C@@H](C)[N-]S(=O)(=O)CC(F)(F)F)cnn1-c1cccc2ccccc21 ZINC000014973041 221322239 /nfs/dbraw/zinc/32/22/39/221322239.db2.gz YUHWHANFGJBKPW-GFCCVEGCSA-N -1 0 397.422 3.877 50 0 GHAARM CCC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000018153740 221388149 /nfs/dbraw/zinc/38/81/49/221388149.db2.gz GYLFPTDEYXSSON-JQIJEIRASA-N -1 0 387.798 3.838 50 0 GHAARM CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000018219287 221390454 /nfs/dbraw/zinc/39/04/54/221390454.db2.gz DRHWCFBAHZXJDD-AWEZNQCLSA-N -1 0 386.502 3.711 50 0 GHAARM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000058013938 136154222 /nfs/dbraw/zinc/15/42/22/136154222.db2.gz BFSLDHSHXCBWKW-CQSZACIVSA-N -1 0 388.489 3.730 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCCC3=O)c2)s1 ZINC000005330208 136194703 /nfs/dbraw/zinc/19/47/03/136194703.db2.gz LPHSDIRSSNAKTA-UHFFFAOYSA-N -1 0 394.518 3.637 50 0 GHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc21 ZINC000008840566 136195783 /nfs/dbraw/zinc/19/57/83/136195783.db2.gz KBNXXKWVAAZOPJ-UHFFFAOYSA-N -1 0 378.519 3.801 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1Br ZINC000041091694 221937842 /nfs/dbraw/zinc/93/78/42/221937842.db2.gz IGSLDRLTIMAQKK-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM CCOc1ccc(-c2noc(-c3c[n-]c4ccc(C)cc4c3=O)n2)cc1OC ZINC000057354774 222031088 /nfs/dbraw/zinc/03/10/88/222031088.db2.gz BLXOGUXOZUVNCE-UHFFFAOYSA-N -1 0 377.400 3.961 50 0 GHAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000065183955 222107537 /nfs/dbraw/zinc/10/75/37/222107537.db2.gz PBUITLCOMSXTBZ-UHFFFAOYSA-N -1 0 388.877 3.816 50 0 GHAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)o1 ZINC000065194098 222108376 /nfs/dbraw/zinc/10/83/76/222108376.db2.gz SYXBMGXNLKPGLW-UHFFFAOYSA-N -1 0 388.493 3.925 50 0 GHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c1 ZINC000064919767 222088483 /nfs/dbraw/zinc/08/84/83/222088483.db2.gz UOYCYRRVEPFTGH-UHFFFAOYSA-N -1 0 392.546 3.721 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000064947306 222089697 /nfs/dbraw/zinc/08/96/97/222089697.db2.gz QHPMHQLMPUCXNN-UHFFFAOYSA-N -1 0 389.452 3.746 50 0 GHAARM Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)Nc2cccc(C)c2C)c3[O-])c1 ZINC000065250030 222115743 /nfs/dbraw/zinc/11/57/43/222115743.db2.gz CCIWXUFEIQYGOM-UHFFFAOYSA-N -1 0 388.427 3.597 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)N[C@H](C(=O)[O-])c3ccccc3)s2)cc1 ZINC000071328967 222182123 /nfs/dbraw/zinc/18/21/23/222182123.db2.gz LIPDGCARWFUZLZ-INIZCTEOSA-N -1 0 382.441 3.683 50 0 GHAARM Cn1cc(C(=O)N2CCC[C@](Cc3ccccc3)(C(=O)[O-])C2)c2ccccc21 ZINC000071751249 222192267 /nfs/dbraw/zinc/19/22/67/222192267.db2.gz PLACYLBQSMIBNT-HSZRJFAPSA-N -1 0 376.456 3.728 50 0 GHAARM O=C(COc1ccc2cc(Br)ccc2c1)[N-]O[C@@H]1CCCCO1 ZINC000072058845 222204375 /nfs/dbraw/zinc/20/43/75/222204375.db2.gz SWWNOXCULOTYKS-QGZVFWFLSA-N -1 0 380.238 3.556 50 0 GHAARM COc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(OC)cc1Cl ZINC000072414243 222258033 /nfs/dbraw/zinc/25/80/33/222258033.db2.gz ZCYIFIYHFJEMCV-UHFFFAOYSA-N -1 0 378.837 3.706 50 0 GHAARM O=C([O-])C1(n2cnc3ccccc32)CCN(c2nc3ccccc3s2)CC1 ZINC000072428693 222259277 /nfs/dbraw/zinc/25/92/77/222259277.db2.gz GZOBQOGVPBZHCD-UHFFFAOYSA-N -1 0 378.457 3.726 50 0 GHAARM Cc1cccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000079112280 222304899 /nfs/dbraw/zinc/30/48/99/222304899.db2.gz BGYPCITWIOPRKS-GOSISDBHSA-N -1 0 394.427 3.656 50 0 GHAARM COc1ccc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1Cl ZINC000096007262 222371610 /nfs/dbraw/zinc/37/16/10/222371610.db2.gz LMZKFCUDIBEQDO-UHFFFAOYSA-N -1 0 397.880 3.702 50 0 GHAARM CSCc1ccc(-c2nc([C@@H]3CCOC3)nn2-c2ccccc2C(=O)[O-])o1 ZINC000096148880 222390096 /nfs/dbraw/zinc/39/00/96/222390096.db2.gz OYZOIOCLMMDKBM-GFCCVEGCSA-N -1 0 385.445 3.592 50 0 GHAARM Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])c3cnn(C(C)C)c3n2)c(C)o1 ZINC000236812168 526037553 /nfs/dbraw/zinc/03/75/53/526037553.db2.gz LPWKZLNKLCZKHF-GOSISDBHSA-N -1 0 396.447 3.578 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1Cl ZINC000000682286 570217047 /nfs/dbraw/zinc/21/70/47/570217047.db2.gz MYOZRBSFWNOYQD-UHFFFAOYSA-N -1 0 393.877 3.850 50 0 GHAARM COc1cccc([C@H]2C[C@@H]2C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237327295 570233808 /nfs/dbraw/zinc/23/38/08/570233808.db2.gz DAGHITQGASCTTN-SJORKVTESA-N -1 0 389.398 3.580 50 0 GHAARM O=c1[n-]c(NCCc2c[nH]c3ccc(Cl)cc23)nnc1Cc1ccc(F)cc1 ZINC000004818449 570238892 /nfs/dbraw/zinc/23/88/92/570238892.db2.gz LDKWFQLMVWYHGY-UHFFFAOYSA-N -1 0 397.841 3.684 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c(C)c1 ZINC000101723544 570281822 /nfs/dbraw/zinc/28/18/22/570281822.db2.gz SFSYFTISAHJHKJ-UHFFFAOYSA-N -1 0 385.423 3.960 50 0 GHAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000006184247 570316647 /nfs/dbraw/zinc/31/66/47/570316647.db2.gz VAQVXSOKTBIGPN-UHFFFAOYSA-N -1 0 391.445 3.712 50 0 GHAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1C ZINC000035405154 570351785 /nfs/dbraw/zinc/35/17/85/570351785.db2.gz YZRUOUOVWBBLHD-UHFFFAOYSA-N -1 0 378.519 3.792 50 0 GHAARM O=C([O-])c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000003888098 570353552 /nfs/dbraw/zinc/35/35/52/570353552.db2.gz WQKYISBKIBZLOH-UHFFFAOYSA-N -1 0 393.770 3.536 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000006316902 570377225 /nfs/dbraw/zinc/37/72/25/570377225.db2.gz FEOOOEJNEPYTBK-UHFFFAOYSA-N -1 0 382.441 3.748 50 0 GHAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1=O ZINC000004538554 570382759 /nfs/dbraw/zinc/38/27/59/570382759.db2.gz ZZPIVAQZABJWJL-AWEZNQCLSA-N -1 0 379.796 3.602 50 0 GHAARM Cc1sc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1-c1ccc(F)cc1 ZINC000237695267 570390444 /nfs/dbraw/zinc/39/04/44/570390444.db2.gz MINXFWUGTGVVMA-UHFFFAOYSA-N -1 0 391.464 3.959 50 0 GHAARM Cc1ccc(-c2cnc(CCC(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])o2)cc1 ZINC000237735109 570404562 /nfs/dbraw/zinc/40/45/62/570404562.db2.gz KZTDAFPMFVHELT-IBGZPJMESA-N -1 0 390.439 3.621 50 0 GHAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004811481 570407735 /nfs/dbraw/zinc/40/77/35/570407735.db2.gz SEOHGKRVDZVGKM-ANYFNZRUSA-N -1 0 379.478 3.655 50 0 GHAARM CC(=O)Nc1cc(C(=O)CSc2nccn2Cc2ccccc2)ccc1[O-] ZINC000026043160 570421841 /nfs/dbraw/zinc/42/18/41/570421841.db2.gz DQKDUSGPCJXQDU-UHFFFAOYSA-N -1 0 381.457 3.570 50 0 GHAARM O=C([O-])/C=C\C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000005092476 570428901 /nfs/dbraw/zinc/42/89/01/570428901.db2.gz QFRVCJXRFNSMAF-FPLPWBNLSA-N -1 0 379.199 3.825 50 0 GHAARM CCC1=NN(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000005296988 570549348 /nfs/dbraw/zinc/54/93/48/570549348.db2.gz AWRVOAVLSUWBIY-MRXNPFEDSA-N -1 0 391.880 3.951 50 0 GHAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853143 570556338 /nfs/dbraw/zinc/55/63/38/570556338.db2.gz FDLSRYIFXYLPRK-OAHLLOKOSA-N -1 0 378.448 3.912 50 0 GHAARM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3c(C)cccc3C)c(Cl)cc21 ZINC000006779698 570587671 /nfs/dbraw/zinc/58/76/71/570587671.db2.gz SBEZPTUIQNHIKK-UHFFFAOYSA-N -1 0 394.880 3.503 50 0 GHAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccccc3F)cc2C)s1 ZINC000033007729 570620803 /nfs/dbraw/zinc/62/08/03/570620803.db2.gz MVSFGZSJFXDTIL-UHFFFAOYSA-N -1 0 393.465 3.893 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2Cl)cc1 ZINC000033026202 570661101 /nfs/dbraw/zinc/66/11/01/570661101.db2.gz SMLXCGDRFIWYLD-ABAIWWIYSA-N -1 0 394.880 3.744 50 0 GHAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(Br)c1)c3[O-] ZINC000200397774 570725080 /nfs/dbraw/zinc/72/50/80/570725080.db2.gz JHMMXENVPBKXMN-JTQLQIEISA-N -1 0 399.244 3.839 50 0 GHAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000007002636 570737367 /nfs/dbraw/zinc/73/73/67/570737367.db2.gz OFFDTICQXPLXDY-UHFFFAOYSA-N -1 0 384.885 3.581 50 0 GHAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1 ZINC000101260497 570817410 /nfs/dbraw/zinc/81/74/10/570817410.db2.gz AVCPPPGGYBEPEZ-HOTGVXAUSA-N -1 0 388.349 3.766 50 0 GHAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1 ZINC000101298311 570818611 /nfs/dbraw/zinc/81/86/11/570818611.db2.gz SPINRZMXFNVZDB-IBGZPJMESA-N -1 0 388.427 3.736 50 0 GHAARM O=C(NC1CCCCC1)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680034 570825893 /nfs/dbraw/zinc/82/58/93/570825893.db2.gz BBDDVUYKTZDDEI-GOSISDBHSA-N -1 0 390.842 3.514 50 0 GHAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3cccc(OC)c3)no2)c1=O ZINC000101725378 570831399 /nfs/dbraw/zinc/83/13/99/570831399.db2.gz HDCVFKLORQGLHI-UHFFFAOYSA-N -1 0 377.400 3.843 50 0 GHAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3c4ccccc4C[C@H]3C)c(=O)c12 ZINC000007424009 570841324 /nfs/dbraw/zinc/84/13/24/570841324.db2.gz MZHSJEDWMVRRSH-CQSZACIVSA-N -1 0 384.439 3.614 50 0 GHAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000170592294 570851335 /nfs/dbraw/zinc/85/13/35/570851335.db2.gz QXNCFLCIKFWJIZ-SNVBAGLBSA-N -1 0 380.853 3.637 50 0 GHAARM CCN(CC)c1ccc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000033253661 570861903 /nfs/dbraw/zinc/86/19/03/570861903.db2.gz IONGUFCZRWEKBU-UHFFFAOYSA-N -1 0 376.478 3.649 50 0 GHAARM O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccccc1OC(F)(F)F ZINC000032895548 570887043 /nfs/dbraw/zinc/88/70/43/570887043.db2.gz ZWUQVAJLJKZXJG-UHFFFAOYSA-N -1 0 397.277 3.708 50 0 GHAARM Cc1nc2sc([C@@H](c3ccccc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023156836 570920993 /nfs/dbraw/zinc/92/09/93/570920993.db2.gz OCWAEYXEHNJJFQ-GOSISDBHSA-N -1 0 376.485 3.953 50 0 GHAARM O=S(=O)([N-]c1ccccc1)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914601 570936969 /nfs/dbraw/zinc/93/69/69/570936969.db2.gz WOSYQQIOCXUJFE-UHFFFAOYSA-N -1 0 384.392 3.672 50 0 GHAARM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238070506 570945325 /nfs/dbraw/zinc/94/53/25/570945325.db2.gz CAQURYMQGATNFK-KBPBESRZSA-N -1 0 386.275 3.579 50 0 GHAARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(O)c1 ZINC000001243975 570969266 /nfs/dbraw/zinc/96/92/66/570969266.db2.gz UEZJPCACURQJFR-RVDMUPIBSA-N -1 0 397.406 3.884 50 0 GHAARM COc1ccc(F)cc1S(=O)(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146665 570975940 /nfs/dbraw/zinc/97/59/40/570975940.db2.gz ACRAZWNFRVXINR-ZDUSSCGKSA-N -1 0 381.450 3.599 50 0 GHAARM CCn1c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2sc1=O ZINC000046017443 571011860 /nfs/dbraw/zinc/01/18/60/571011860.db2.gz GXYJWASUYRYVIK-UHFFFAOYSA-N -1 0 398.893 3.546 50 0 GHAARM CCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000002643450 861459987 /nfs/dbraw/zinc/45/99/87/861459987.db2.gz YQIXRRDPBNXFIB-UHFFFAOYSA-N -1 0 394.924 3.930 50 0 GHAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002925412 861799616 /nfs/dbraw/zinc/79/96/16/861799616.db2.gz OCNGUNJKROSDFJ-UHFFFAOYSA-N -1 0 393.921 3.871 50 0 GHAARM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000028781847 852041952 /nfs/dbraw/zinc/04/19/52/852041952.db2.gz WBODAHXZXABZHF-BJMVGYQFSA-N -1 0 383.828 3.856 50 0 GHAARM Cn1c2ccccc2c(CC(=O)N2CCC(Cc3ccccc3)CC2)c1C(=O)[O-] ZINC000003660287 862547592 /nfs/dbraw/zinc/54/75/92/862547592.db2.gz HQPCPZYRLXRHFF-UHFFFAOYSA-N -1 0 390.483 3.900 50 0 GHAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000038580527 856204309 /nfs/dbraw/zinc/20/43/09/856204309.db2.gz HGQALENYTABBSJ-OAQYLSRUSA-N -1 0 395.455 3.795 50 0 GHAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000009015975 856704862 /nfs/dbraw/zinc/70/48/62/856704862.db2.gz ARKBBELJGYVKFG-HXUWFJFHSA-N -1 0 383.835 3.750 50 0 GHAARM COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cn1 ZINC000225417633 858146422 /nfs/dbraw/zinc/14/64/22/858146422.db2.gz XPQHVULUWIZRSX-UHFFFAOYSA-N -1 0 391.880 3.952 50 0 GHAARM COc1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc(Br)c1O ZINC000606444088 859836360 /nfs/dbraw/zinc/83/63/60/859836360.db2.gz RIUJZEQUXILADS-HZDAAVBUSA-N -1 0 382.235 3.888 50 0 GHAARM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000057312340 860184697 /nfs/dbraw/zinc/18/46/97/860184697.db2.gz QIZQIPIWBKNXQT-LTKMBJGESA-N -1 0 397.402 3.505 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1-c1nc(C2CC2)no1 ZINC000096379857 860910245 /nfs/dbraw/zinc/91/02/45/860910245.db2.gz YRTZHSXRBVPUPH-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)n1 ZINC000096379800 860910470 /nfs/dbraw/zinc/91/04/70/860910470.db2.gz KKFKGANBJKGHJH-UHFFFAOYSA-N -1 0 398.847 3.837 50 0 GHAARM O=C(NC1CCCCC1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021748460 860933294 /nfs/dbraw/zinc/93/32/94/860933294.db2.gz CINRDTRCOZFQQE-UHFFFAOYSA-N -1 0 393.896 3.598 50 0 GHAARM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c1 ZINC000021883943 860970743 /nfs/dbraw/zinc/97/07/43/860970743.db2.gz FHAVWGUMKCPCEH-UHFFFAOYSA-N -1 0 399.497 3.635 50 0 GHAARM CC(=O)Oc1ccccc1C(=O)OC1(C(=O)[O-])c2ccccc2-c2ccccc21 ZINC000096594130 860995100 /nfs/dbraw/zinc/99/51/00/860995100.db2.gz SVYOEJXCSJXKKJ-UHFFFAOYSA-N -1 0 388.375 3.778 50 0 GHAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC[C@@]4(C3)OCc3ccccc34)c12 ZINC000521252489 863383651 /nfs/dbraw/zinc/38/36/51/863383651.db2.gz IPWPYTTTXREQQM-FQEVSTJZSA-N -1 0 381.457 3.724 50 0 GHAARM CCCOc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000199910829 864771640 /nfs/dbraw/zinc/77/16/40/864771640.db2.gz BDKGWVTYFIJZTC-ZDUSSCGKSA-N -1 0 378.428 3.865 50 0 GHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)/C=C\C(=O)[O-])cc1C ZINC000097998900 916052965 /nfs/dbraw/zinc/05/29/65/916052965.db2.gz LLTFFJAPVOZUNF-QXMHVHEDSA-N -1 0 389.455 3.755 50 0 GHAARM Cc1nn(C)c(Oc2cccnc2)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000078737214 923468188 /nfs/dbraw/zinc/46/81/88/923468188.db2.gz ZBLCSLVCQZLAEF-UHFFFAOYSA-N -1 0 396.831 3.509 50 0 GHAARM CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001513038 212248984 /nfs/dbraw/zinc/24/89/84/212248984.db2.gz PSYPPCSTOSQPLH-INIZCTEOSA-N -1 0 380.429 3.852 50 0 GHAARM O=C(Nc1ccc(Br)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001254696 212232769 /nfs/dbraw/zinc/23/27/69/212232769.db2.gz RNTVTUZBUVAUNQ-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccccc1C(=O)[O-])C2=O ZINC000001143750 212223509 /nfs/dbraw/zinc/22/35/09/212223509.db2.gz NGVUZCCUICKYFJ-UHFFFAOYSA-N -1 0 389.363 3.986 50 0 GHAARM O=S(=O)([N-]c1ccccc1)c1ccc(Cl)cc1I ZINC000001040971 212208320 /nfs/dbraw/zinc/20/83/20/212208320.db2.gz SIPNLXGIAMFPMR-UHFFFAOYSA-N -1 0 393.633 3.745 50 0 GHAARM CC[C@H](C(=O)[O-])n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000000955163 212199697 /nfs/dbraw/zinc/19/96/97/212199697.db2.gz BOBGQKSEGBUYTO-GFCCVEGCSA-N -1 0 393.262 3.923 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000000862276 212190534 /nfs/dbraw/zinc/19/05/34/212190534.db2.gz VCKZKLRZSCYZDI-UHFFFAOYSA-N -1 0 380.469 3.773 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000000763005 212179919 /nfs/dbraw/zinc/17/99/19/212179919.db2.gz QFQFDOUGEWNQKE-JQBYJRRVSA-N -1 0 395.414 3.781 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004175730 220690282 /nfs/dbraw/zinc/69/02/82/220690282.db2.gz MPBFIDDFCGZAMS-GOSISDBHSA-N -1 0 386.835 3.891 50 0 GHAARM COc1cc([C@H](CC(=O)[O-])CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000004377493 220712821 /nfs/dbraw/zinc/71/28/21/220712821.db2.gz WIIHPKAAFQLZGR-HNNXBMFYSA-N -1 0 387.432 3.608 50 0 GHAARM CC(Nc1cc(Cl)ccc1Sc1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000007977339 221017759 /nfs/dbraw/zinc/01/77/59/221017759.db2.gz LXXGBUAJPCTFHF-UHFFFAOYSA-N -1 0 387.848 3.543 50 0 GHAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000009089667 221069909 /nfs/dbraw/zinc/06/99/09/221069909.db2.gz MUHMMJUVRRXXHY-QFIPXVFZSA-N -1 0 377.444 3.714 50 0 GHAARM CCc1ccccc1N1C(=O)[N-]C(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C1=O ZINC000008974600 221067426 /nfs/dbraw/zinc/06/74/26/221067426.db2.gz XXZBSQNGJLCVFZ-JOCHJYFZSA-N -1 0 377.444 3.659 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000009646322 221087539 /nfs/dbraw/zinc/08/75/39/221087539.db2.gz PZWXAKWWSXDZIK-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1C(=O)N1CCCCC1 ZINC000009684568 221088845 /nfs/dbraw/zinc/08/88/45/221088845.db2.gz LZHPWLFJVGMUSR-UHFFFAOYSA-N -1 0 393.484 3.506 50 0 GHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccccc3C)s2)on1 ZINC000009688844 221090141 /nfs/dbraw/zinc/09/01/41/221090141.db2.gz QXQABCOUXDUQDI-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C)c(=O)[n-]2)c2ccccc2)c1 ZINC000011419588 221116549 /nfs/dbraw/zinc/11/65/49/221116549.db2.gz NZUYIAGWPFVAQZ-QGZVFWFLSA-N -1 0 380.473 3.975 50 0 GHAARM C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012000867 221142012 /nfs/dbraw/zinc/14/20/12/221142012.db2.gz WZWFPVMTPRUWBX-CYBMUJFWSA-N -1 0 379.441 3.961 50 0 GHAARM Cc1ccc(NC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1F ZINC000012628093 221215404 /nfs/dbraw/zinc/21/54/04/221215404.db2.gz WKVWSIIFMHOMRI-UHFFFAOYSA-N -1 0 391.449 3.644 50 0 GHAARM CCOc1ccc(C2=N/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000013338360 221265884 /nfs/dbraw/zinc/26/58/84/221265884.db2.gz QXCVGDWAAQSIRQ-WJDWOHSUSA-N -1 0 381.384 3.527 50 0 GHAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000013067880 221260253 /nfs/dbraw/zinc/26/02/53/221260253.db2.gz JYWFQPNAHDBIPX-UHFFFAOYSA-N -1 0 377.849 3.516 50 0 GHAARM CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(OC)cc1 ZINC000014974852 221322976 /nfs/dbraw/zinc/32/29/76/221322976.db2.gz JXPCDMPJCKNLBY-UHFFFAOYSA-N -1 0 388.807 3.832 50 0 in-vivo GHAARM COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2C)[n-]c2ccccc2c1=O ZINC000015731478 221342180 /nfs/dbraw/zinc/34/21/80/221342180.db2.gz YMKBMIJVDJAJEO-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)OC ZINC000017077600 221377676 /nfs/dbraw/zinc/37/76/76/221377676.db2.gz DLDWQBATFDXEHC-ZIAGYGMSSA-N -1 0 379.478 3.791 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079253 221377813 /nfs/dbraw/zinc/37/78/13/221377813.db2.gz KISDBMBYSNAQGR-VXGBXAGGSA-N -1 0 388.420 3.745 50 0 GHAARM CC[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017080216 221378736 /nfs/dbraw/zinc/37/87/36/221378736.db2.gz QHZUPRCVGAWDOZ-RYUDHWBXSA-N -1 0 392.521 3.595 50 0 GHAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000020029809 221468624 /nfs/dbraw/zinc/46/86/24/221468624.db2.gz QFOSXTLVTDHHHQ-UHFFFAOYSA-N -1 0 379.331 3.663 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)c2c(C)noc2C)sc1-c1ccccc1Cl ZINC000095480319 533644543 /nfs/dbraw/zinc/64/45/43/533644543.db2.gz NWLAHOWPXTWQCI-UHFFFAOYSA-N -1 0 391.836 3.529 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185090 136202809 /nfs/dbraw/zinc/20/28/09/136202809.db2.gz QTDAMFATORMQAT-VGOFRKELSA-N -1 0 393.418 3.850 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854248 221572163 /nfs/dbraw/zinc/57/21/63/221572163.db2.gz NDAVJAXZKICCFU-KRWDZBQOSA-N -1 0 386.521 3.604 50 0 GHAARM COc1ccc(NC(=O)C[C@@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000035142360 221813111 /nfs/dbraw/zinc/81/31/11/221813111.db2.gz NOHJINFMEWJLMB-CYBMUJFWSA-N -1 0 392.249 3.730 50 0 GHAARM CCc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)o1 ZINC000065098671 222100507 /nfs/dbraw/zinc/10/05/07/222100507.db2.gz AWZOELLMOJUWBR-UHFFFAOYSA-N -1 0 387.845 3.954 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1 ZINC000065098698 222100723 /nfs/dbraw/zinc/10/07/23/222100723.db2.gz HVSWFSBQDKMNPB-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)c(F)c4)c([O-])c23)C1 ZINC000065150468 222102963 /nfs/dbraw/zinc/10/29/63/222102963.db2.gz NEAVXVFBRFZQOD-MRVPVSSYSA-N -1 0 390.411 3.951 50 0 GHAARM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000058358137 222051348 /nfs/dbraw/zinc/05/13/48/222051348.db2.gz VTFMFKWRUPMCHY-SFHVURJKSA-N -1 0 391.537 3.777 50 0 GHAARM COc1ccccc1[C@@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3cc(F)cc(F)c3)c21 ZINC000061719062 222060853 /nfs/dbraw/zinc/06/08/53/222060853.db2.gz RYCNCLSWTYQXTG-HNNXBMFYSA-N -1 0 398.365 3.936 50 0 GHAARM COc1ccc(OC)c(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c1 ZINC000065323323 222123361 /nfs/dbraw/zinc/12/33/61/222123361.db2.gz ANXWHVLWXMJYRU-UHFFFAOYSA-N -1 0 390.399 3.855 50 0 GHAARM O=C([O-])C1(Oc2ccc3ncccc3c2)CCN(C(=O)Nc2ccccc2)CC1 ZINC000065490164 222131568 /nfs/dbraw/zinc/13/15/68/222131568.db2.gz NZNCISREVPMUCC-UHFFFAOYSA-N -1 0 391.427 3.765 50 0 GHAARM Cc1ccccc1CC[C@H]1CCCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC000071749135 222190364 /nfs/dbraw/zinc/19/03/64/222190364.db2.gz NXOKEOSIXLUSSX-LJQANCHMSA-N -1 0 389.499 3.959 50 0 GHAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC000072161147 222214328 /nfs/dbraw/zinc/21/43/28/222214328.db2.gz KLYHCMSJMLKIHU-UHFFFAOYSA-N -1 0 385.851 3.830 50 0 GHAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F)O[C@@H](C)C2 ZINC000084807820 222324183 /nfs/dbraw/zinc/32/41/83/222324183.db2.gz YCBOZQLJJYCMRB-VIFPVBQESA-N -1 0 387.379 3.627 50 0 GHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1cccnc1)SCC(=O)N2 ZINC000079489232 222306656 /nfs/dbraw/zinc/30/66/56/222306656.db2.gz MSHRYCHSCFELLI-KRWDZBQOSA-N -1 0 380.429 3.698 50 0 GHAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc1C ZINC000004411674 528399917 /nfs/dbraw/zinc/39/99/17/528399917.db2.gz YAKYKMDVPWNCSJ-UHFFFAOYSA-N -1 0 395.289 3.736 50 0 GHAARM COc1ccccc1N1CCN(Cc2cc(Cl)c([O-])c3ncccc23)CC1 ZINC000019830962 570223357 /nfs/dbraw/zinc/22/33/57/570223357.db2.gz OKXDBCQHYZUIMW-UHFFFAOYSA-N -1 0 383.879 3.925 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(SCc4ccccc4)nn3c2=O)cc1 ZINC000100133723 570266877 /nfs/dbraw/zinc/26/68/77/570266877.db2.gz KYRZGSIUVXTDQD-UHFFFAOYSA-N -1 0 376.485 3.918 50 0 GHAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 ZINC000020614468 570272134 /nfs/dbraw/zinc/27/21/34/570272134.db2.gz ZARLJKMDEIDPAA-UHFFFAOYSA-N -1 0 397.243 3.801 50 0 GHAARM Cn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c2ccccc21 ZINC000100513826 570272844 /nfs/dbraw/zinc/27/28/44/570272844.db2.gz XTHOPZKKTGPKEX-UHFFFAOYSA-N -1 0 377.425 3.620 50 0 GHAARM COc1cc2c(cc1OC)C([O-])=C(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000020723193 570276343 /nfs/dbraw/zinc/27/63/43/570276343.db2.gz QDSINYAFMNAQKN-IBGZPJMESA-N -1 0 388.485 3.583 50 0 GHAARM Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000627412 570277950 /nfs/dbraw/zinc/27/79/50/570277950.db2.gz VBVBDSPNHUJNFQ-MSOLQXFVSA-N -1 0 392.455 3.531 50 0 GHAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c1C ZINC000101723547 570281802 /nfs/dbraw/zinc/28/18/02/570281802.db2.gz MNJILVRVTAJLOW-UHFFFAOYSA-N -1 0 385.423 3.960 50 0 GHAARM CC(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000021873448 570298288 /nfs/dbraw/zinc/29/82/88/570298288.db2.gz YQCRIMJTUUACBA-UHFFFAOYSA-N -1 0 384.860 3.666 50 0 GHAARM O=C1N[C@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1C1CCCCC1 ZINC000002863510 570311983 /nfs/dbraw/zinc/31/19/83/570311983.db2.gz WHZAVWFYHFQBTH-INIZCTEOSA-N -1 0 398.410 3.851 50 0 GHAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(Cl)cc1 ZINC000006184229 570316454 /nfs/dbraw/zinc/31/64/54/570316454.db2.gz BCFKKWOYZIAKAY-UHFFFAOYSA-N -1 0 381.837 3.967 50 0 GHAARM O=c1[nH]c(-c2ccc([O-])c(Br)c2)nc2sc3c(c21)CCCC3 ZINC000022135313 570326378 /nfs/dbraw/zinc/32/63/78/570326378.db2.gz SLIYMYSHJPHJRY-UHFFFAOYSA-N -1 0 377.263 3.999 50 0 GHAARM O=C([O-])C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003324452 570339094 /nfs/dbraw/zinc/33/90/94/570339094.db2.gz PGMYBSUTQKPEJE-LBPRGKRZSA-N -1 0 392.235 3.627 50 0 GHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000035397505 570349038 /nfs/dbraw/zinc/34/90/38/570349038.db2.gz QHKKIQHFUAUMNL-UHFFFAOYSA-N -1 0 391.493 3.515 50 0 GHAARM CCOc1cc(C=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000004656024 570390019 /nfs/dbraw/zinc/39/00/19/570390019.db2.gz PNGPECQVNRWRGQ-UHFFFAOYSA-N -1 0 379.206 3.938 50 0 GHAARM Cc1nc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])oc1-c1ccccc1 ZINC000237712487 570391662 /nfs/dbraw/zinc/39/16/62/570391662.db2.gz PQRPQPOAJSHUHE-LJQANCHMSA-N -1 0 390.439 3.621 50 0 GHAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004756803 570403666 /nfs/dbraw/zinc/40/36/66/570403666.db2.gz OUJAAYHVPJMEJZ-UHFFFAOYSA-N -1 0 380.469 3.726 50 0 GHAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000004905095 570416664 /nfs/dbraw/zinc/41/66/64/570416664.db2.gz OTKFTCXTXYFQAP-CMDGGOBGSA-N -1 0 377.393 3.619 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000238066868 570422882 /nfs/dbraw/zinc/42/28/82/570422882.db2.gz NODVOFOMCUTHTF-HOTGVXAUSA-N -1 0 385.410 3.713 50 0 GHAARM O=C([O-])CCN(C(=O)c1ccc(-c2ccccc2F)s1)C1CCOCC1 ZINC000238078673 570422991 /nfs/dbraw/zinc/42/29/91/570422991.db2.gz XHMWPKZRGLFVFO-UHFFFAOYSA-N -1 0 377.437 3.650 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 ZINC000006454844 570426089 /nfs/dbraw/zinc/42/60/89/570426089.db2.gz NJKBZSVPXYMGHU-UHFFFAOYSA-N -1 0 396.443 3.829 50 0 GHAARM CC(C)n1c2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2nc1C(F)(F)F ZINC000262693338 570492708 /nfs/dbraw/zinc/49/27/08/570492708.db2.gz FLAAXJSWZDOIOU-NEPJUHHUSA-N -1 0 383.370 3.619 50 0 GHAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)nn1 ZINC000005204294 570506153 /nfs/dbraw/zinc/50/61/53/570506153.db2.gz BDTKYWVXOISPBJ-UHFFFAOYSA-N -1 0 389.864 3.997 50 0 GHAARM COc1ccc(-c2nnc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])s2)cc1 ZINC000002777367 570515830 /nfs/dbraw/zinc/51/58/30/570515830.db2.gz OIQXIJJTXKAISO-LSDHHAIUSA-N -1 0 387.461 3.599 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005014087 570541129 /nfs/dbraw/zinc/54/11/29/570541129.db2.gz RNBPEGROAAOWEM-GJZGRUSLSA-N -1 0 390.867 3.572 50 0 GHAARM Cc1oc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)cc1C(=O)[O-] ZINC000225460381 570576687 /nfs/dbraw/zinc/57/66/87/570576687.db2.gz CJHIEWVFVDVAPO-UHFFFAOYSA-N -1 0 383.425 3.851 50 0 GHAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000004602409 570657114 /nfs/dbraw/zinc/65/71/14/570657114.db2.gz WNQHTLLLSUJUCZ-KRWDZBQOSA-N -1 0 385.460 3.947 50 0 GHAARM Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002488625 570720091 /nfs/dbraw/zinc/72/00/91/570720091.db2.gz AEKMURZKNYJGAS-INIZCTEOSA-N -1 0 384.819 3.729 50 0 GHAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(Br)cc1)c3[O-] ZINC000200468649 570726317 /nfs/dbraw/zinc/72/63/17/570726317.db2.gz MUWOUNUJUARNFO-JTQLQIEISA-N -1 0 399.244 3.839 50 0 GHAARM O=S(=O)([N-]c1ccccn1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000007089831 570784430 /nfs/dbraw/zinc/78/44/30/570784430.db2.gz ISMHRRVCPMRDIE-UHFFFAOYSA-N -1 0 378.413 3.599 50 0 GHAARM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NO[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101043386 570787340 /nfs/dbraw/zinc/78/73/40/570787340.db2.gz KKIHAPRDPGVXAB-HIFRSBDPSA-N -1 0 395.629 3.939 50 0 GHAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(C(F)(F)F)c4)c=3c2=O)cc1F ZINC000101260566 570817429 /nfs/dbraw/zinc/81/74/29/570817429.db2.gz YRJWCHUSEKAYJA-CABCVRRESA-N -1 0 392.312 3.651 50 0 GHAARM CCCCn1c(=O)c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c([O-])[nH]c1=S ZINC000101763502 570833342 /nfs/dbraw/zinc/83/33/42/570833342.db2.gz CUTBNCYOGGUJQE-LBPRGKRZSA-N -1 0 378.885 3.504 50 0 GHAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000007428281 570842120 /nfs/dbraw/zinc/84/21/20/570842120.db2.gz LJIJAXISYRPYCB-UHFFFAOYSA-N -1 0 389.454 3.691 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000012552618 570856199 /nfs/dbraw/zinc/85/61/99/570856199.db2.gz SCXABNMHKXSIAP-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1Cl ZINC000102818520 570865401 /nfs/dbraw/zinc/86/54/01/570865401.db2.gz NSTJIJWDJGNOQC-ROUUACIJSA-N -1 0 380.835 3.635 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cc2[n-]c1=S ZINC000102832518 570866332 /nfs/dbraw/zinc/86/63/32/570866332.db2.gz DYQLTDZMIDBUKP-CHWSQXEVSA-N -1 0 399.438 3.556 50 0 GHAARM CCn1ncc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3ccccc3N2)c1C ZINC000170625860 570882936 /nfs/dbraw/zinc/88/29/36/570882936.db2.gz SQFLGYVEJOWYHK-KRWDZBQOSA-N -1 0 378.432 3.856 50 0 GHAARM CC(C)c1nc(Cc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)no1 ZINC000071285078 570887944 /nfs/dbraw/zinc/88/79/44/570887944.db2.gz OABUOHCBQOYZTN-UHFFFAOYSA-N -1 0 379.416 3.663 50 0 GHAARM COc1ccc(-c2csc(NC(=O)CCC(=O)[O-])c2C(=O)OC(C)C)cc1 ZINC000005727275 570904596 /nfs/dbraw/zinc/90/45/96/570904596.db2.gz UNRKFGKRTSENOS-UHFFFAOYSA-N -1 0 391.445 3.792 50 0 GHAARM CSCC[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)[O-] ZINC000098037987 570922916 /nfs/dbraw/zinc/92/29/16/570922916.db2.gz PJGCEJBXBLECFB-QGZVFWFLSA-N -1 0 382.485 3.631 50 0 GHAARM Cc1cccc(-n2c3nc(-c4cccs4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020605717 570951695 /nfs/dbraw/zinc/95/16/95/570951695.db2.gz AYWGNRNHKIAMLF-UHFFFAOYSA-N -1 0 395.465 3.805 50 0 GHAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000170685456 571010451 /nfs/dbraw/zinc/01/04/51/571010451.db2.gz QSNGPCOXAQCIND-TZIWHRDSSA-N -1 0 381.472 3.930 50 0 GHAARM CN(C)c1cc(C(F)(F)F)cc(-c2cccc([C@H]3N[C@@H](C(=O)[O-])CS3)c2)n1 ZINC000091695236 571026491 /nfs/dbraw/zinc/02/64/91/571026491.db2.gz RHKKNMNUTJDXCR-ZBFHGGJFSA-N -1 0 397.422 3.622 50 0 GHAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccc(Br)cc1 ZINC000022016167 837486423 /nfs/dbraw/zinc/48/64/23/837486423.db2.gz DADFFUKRAKHUHG-UHFFFAOYSA-N -1 0 389.658 3.613 50 0 GHAARM CCOc1cc(/C=C(/NC(=O)C2CCCCC2)C(=O)[O-])ccc1OC(F)F ZINC000024829394 841228956 /nfs/dbraw/zinc/22/89/56/841228956.db2.gz FWLZJBXPILCVAF-GXDHUFHOSA-N -1 0 383.391 3.809 50 0 GHAARM COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002841690 847075807 /nfs/dbraw/zinc/07/58/07/847075807.db2.gz ZMVFCXCURNQLGK-DLBZAZTESA-N -1 0 394.427 3.553 50 0 GHAARM COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471426 855357183 /nfs/dbraw/zinc/35/71/83/855357183.db2.gz RVEWDEYHDFINCG-GOSISDBHSA-N -1 0 397.402 3.962 50 0 GHAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1O ZINC000040288607 856725969 /nfs/dbraw/zinc/72/59/69/856725969.db2.gz BVLIBTUEAFHHRK-CQSZACIVSA-N -1 0 396.374 3.503 50 0 GHAARM Cc1nc(CSc2nc3cc(Cl)ccc3c(=O)n2CCC(=O)[O-])cs1 ZINC000009254630 857021907 /nfs/dbraw/zinc/02/19/07/857021907.db2.gz CMMWAHDJYISILQ-UHFFFAOYSA-N -1 0 395.893 3.582 50 0 GHAARM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000328779451 860233951 /nfs/dbraw/zinc/23/39/51/860233951.db2.gz GQVCISQKOKDKFM-UHFFFAOYSA-N -1 0 388.415 3.911 50 0 GHAARM CSCC[C@@H](NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000095481986 860602846 /nfs/dbraw/zinc/60/28/46/860602846.db2.gz PBDDKNFDOIVISH-MRXNPFEDSA-N -1 0 392.546 3.799 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1OC ZINC000020978279 860687537 /nfs/dbraw/zinc/68/75/37/860687537.db2.gz NFGXNMOMKPWGNI-UHFFFAOYSA-N -1 0 380.447 3.530 50 0 GHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000096379650 860909123 /nfs/dbraw/zinc/90/91/23/860909123.db2.gz BUOLBBUNABXOCM-UHFFFAOYSA-N -1 0 386.477 3.922 50 0 GHAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2ncnn12 ZINC000022609623 861163319 /nfs/dbraw/zinc/16/33/19/861163319.db2.gz PKOJWWNSJMRYDF-KRWDZBQOSA-N -1 0 380.448 3.783 50 0 GHAARM Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)c1F ZINC000180491837 878983808 /nfs/dbraw/zinc/98/38/08/878983808.db2.gz PLBDQZGLMDYIMN-HNNXBMFYSA-N -1 0 375.425 3.663 50 0 GHAARM COc1cc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1OC(F)F ZINC000621586704 885301130 /nfs/dbraw/zinc/30/11/30/885301130.db2.gz JYZNLKIBEHUIHJ-LSDHHAIUSA-N -1 0 391.370 3.727 50 0 GHAARM CCCc1c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cnn1-c1cccc(C)c1 ZINC000630569484 903449142 /nfs/dbraw/zinc/44/91/42/903449142.db2.gz YSYHRBKWESLGEW-DOTOQJQBSA-N -1 0 384.480 3.708 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000001200864 212228044 /nfs/dbraw/zinc/22/80/44/212228044.db2.gz KWGFHDLSIVONRL-UWVGGRQHSA-N -1 0 383.267 3.888 50 0 GHAARM CC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001274578 212233773 /nfs/dbraw/zinc/23/37/73/212233773.db2.gz XVXPECVKCRYKDB-PAXVZKIFSA-N -1 0 383.835 3.548 50 0 GHAARM CC(C)Oc1ccc([C@@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)cc1 ZINC000001217612 212230966 /nfs/dbraw/zinc/23/09/66/212230966.db2.gz RNOHQMKLDRGJKS-NJGYHNCTSA-N -1 0 379.412 3.619 50 0 biogenic GHAARM Cc1cccc(OCC(=O)Nc2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000001124506 212220455 /nfs/dbraw/zinc/22/04/55/212220455.db2.gz AGJULQOSFIAGOJ-UHFFFAOYSA-N -1 0 389.407 3.942 50 0 GHAARM Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000001002287 212204060 /nfs/dbraw/zinc/20/40/60/212204060.db2.gz FARWYGVJXXNMDN-HOTGVXAUSA-N -1 0 375.856 3.723 50 0 GHAARM CCOC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000000911815 212193512 /nfs/dbraw/zinc/19/35/12/212193512.db2.gz KBMOJNFTVZUTNS-UHFFFAOYSA-N -1 0 376.459 3.582 50 0 GHAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000000627738 212165807 /nfs/dbraw/zinc/16/58/07/212165807.db2.gz JMQLVUJOOLLFHY-UHFFFAOYSA-N -1 0 391.489 3.635 50 0 GHAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002097900 212144420 /nfs/dbraw/zinc/14/44/20/212144420.db2.gz ZFHLUKRCGRUOQZ-QGZVFWFLSA-N -1 0 399.443 3.685 50 0 biogenic GHAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](C)=O)ccc2[O-])c1=O ZINC000299738163 212143223 /nfs/dbraw/zinc/14/32/23/212143223.db2.gz CYJHSKBQXOPLPS-UHFFFAOYSA-O -1 0 396.423 3.505 50 0 GHAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000334161009 212107919 /nfs/dbraw/zinc/10/79/19/212107919.db2.gz QTVVGRGVVDIYLM-LJQANCHMSA-N -1 0 383.835 3.523 50 0 GHAARM CCOc1cc2[n-]c(=S)n(Cc3cccc(OC)c3)c(=O)c2cc1OCC ZINC000003010204 220597309 /nfs/dbraw/zinc/59/73/09/220597309.db2.gz HCUZAQUQXFOBHS-UHFFFAOYSA-N -1 0 386.473 3.913 50 0 GHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000007051181 220985018 /nfs/dbraw/zinc/98/50/18/220985018.db2.gz SIKSZMOXZPEKRQ-UHFFFAOYSA-N -1 0 376.478 3.688 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000009685712 221089096 /nfs/dbraw/zinc/08/90/96/221089096.db2.gz WOEQAVGQNFHJNR-UHFFFAOYSA-N -1 0 384.457 3.805 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 ZINC000009686827 221089825 /nfs/dbraw/zinc/08/98/25/221089825.db2.gz ZDHNFIVNTUPHEU-UHFFFAOYSA-N -1 0 377.491 3.873 50 0 GHAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)s2)on1 ZINC000009688999 221090277 /nfs/dbraw/zinc/09/02/77/221090277.db2.gz WKNASEXZWCCAPD-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM Cc1cc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c(C)c1 ZINC000009837449 221092904 /nfs/dbraw/zinc/09/29/04/221092904.db2.gz JUWYYFHKXWWBCN-ROUUACIJSA-N -1 0 382.851 3.759 50 0 GHAARM O=C([O-])COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 ZINC000011766581 221124045 /nfs/dbraw/zinc/12/40/45/221124045.db2.gz LAVPPJZFLYQNHL-UHFFFAOYSA-N -1 0 380.274 3.822 50 0 GHAARM O=C([O-])c1ccccc1SCC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000012785711 221231305 /nfs/dbraw/zinc/23/13/05/221231305.db2.gz IJQIZWGGHYSWFO-UHFFFAOYSA-N -1 0 379.821 3.540 50 0 GHAARM Cc1cc(C)cc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348683 221266087 /nfs/dbraw/zinc/26/60/87/221266087.db2.gz ZDBADORZGUIWGK-UHFFFAOYSA-N -1 0 390.490 3.929 50 0 GHAARM O=S(=O)([N-]c1nc2ccc(F)cc2s1)c1ccccc1C(F)(F)F ZINC000013101830 221260056 /nfs/dbraw/zinc/26/00/56/221260056.db2.gz UVHSOUAIXIXZJE-UHFFFAOYSA-N -1 0 376.356 3.677 50 0 GHAARM CCCOc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000016625281 221366880 /nfs/dbraw/zinc/36/68/80/221366880.db2.gz AQTOSTMQYYCMFZ-UHFFFAOYSA-N -1 0 376.478 3.851 50 0 GHAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144219 221379859 /nfs/dbraw/zinc/37/98/59/221379859.db2.gz BPXUOULXXLAUFS-JRPNMDOOSA-N -1 0 392.912 3.657 50 0 GHAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2nn(Cc3ccccc3)cc2Cl)C1 ZINC000017079187 221377627 /nfs/dbraw/zinc/37/76/27/221377627.db2.gz NPZRXFZLSOAUEU-CVEARBPZSA-N -1 0 387.867 3.971 50 0 GHAARM O=C(NCCSCc1ccccc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000040108633 221905648 /nfs/dbraw/zinc/90/56/48/221905648.db2.gz MPHDFUKTWGJOJV-UHFFFAOYSA-N -1 0 389.477 3.800 50 0 GHAARM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1Cl ZINC000055583008 222023711 /nfs/dbraw/zinc/02/37/11/222023711.db2.gz YUXWKSHPQJEEHB-UHFFFAOYSA-N -1 0 378.208 3.720 50 0 GHAARM Cc1cccc(C)c1NC(=O)c1cccc(NC(=O)CCc2cc(=O)[n-]o2)c1 ZINC000055155043 222016745 /nfs/dbraw/zinc/01/67/45/222016745.db2.gz RAXQXDQIRWSEQG-UHFFFAOYSA-N -1 0 379.416 3.821 50 0 GHAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(CC)o2)cs1 ZINC000065098673 222101179 /nfs/dbraw/zinc/10/11/79/222101179.db2.gz UXELBFYTYGXEED-UHFFFAOYSA-N -1 0 379.463 3.560 50 0 GHAARM Cc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000058488436 222054094 /nfs/dbraw/zinc/05/40/94/222054094.db2.gz JTLRRPGSHKTMQZ-UHFFFAOYSA-N -1 0 378.208 3.940 50 0 GHAARM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000064475729 222072651 /nfs/dbraw/zinc/07/26/51/222072651.db2.gz ZUSURRYPHIARJU-UHFFFAOYSA-N -1 0 386.429 3.601 50 0 GHAARM CCC(=O)Nc1ccccc1-c1nnc(SCCOc2ccccc2)[n-]c1=O ZINC000064774705 222082481 /nfs/dbraw/zinc/08/24/81/222082481.db2.gz RMQYDXKJRDKDPV-UHFFFAOYSA-N -1 0 396.472 3.764 50 0 GHAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000064979569 222092514 /nfs/dbraw/zinc/09/25/14/222092514.db2.gz HZZHZPUGBAVSAX-UHFFFAOYSA-N -1 0 376.459 3.873 50 0 GHAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246423 222115145 /nfs/dbraw/zinc/11/51/45/222115145.db2.gz KERVWAAIMOXXGP-UHFFFAOYSA-N -1 0 381.360 3.676 50 0 GHAARM CCOC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325238 222227129 /nfs/dbraw/zinc/22/71/29/222227129.db2.gz ABIWKHIOTVHBFV-KRWDZBQOSA-N -1 0 391.423 3.747 50 0 biogenic GHAARM COc1ccc(Cc2c(C(=O)[O-])c(=O)cc(C)n2CCc2ccccc2)cc1 ZINC000072446974 222263032 /nfs/dbraw/zinc/26/30/32/222263032.db2.gz AKJRAHBLSQNXMQ-UHFFFAOYSA-N -1 0 377.440 3.697 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000100602436 222460132 /nfs/dbraw/zinc/46/01/32/222460132.db2.gz YUXKXYJDSUZTIB-UHFFFAOYSA-N -1 0 387.233 3.742 50 0 GHAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1Cl ZINC000020223283 570249154 /nfs/dbraw/zinc/24/91/54/570249154.db2.gz RUEOEXBUCHTDSB-OAHLLOKOSA-N -1 0 375.833 3.771 50 0 GHAARM CCC(=O)NC(c1c(C)[n-]n(-c2ccccc2)c1=O)(C(F)(F)F)C(F)(F)F ZINC000100078714 570260811 /nfs/dbraw/zinc/26/08/11/570260811.db2.gz BSBNBKYBDDISOX-UHFFFAOYSA-N -1 0 395.303 3.732 50 0 GHAARM Nc1c(-c2ccsc2)cnn1-c1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000002509192 570289382 /nfs/dbraw/zinc/28/93/82/570289382.db2.gz FEPOQBJSQBMFJH-UHFFFAOYSA-N -1 0 382.470 3.934 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl ZINC000002646188 570292575 /nfs/dbraw/zinc/29/25/75/570292575.db2.gz VBKISLAQNXWKMC-UHFFFAOYSA-N -1 0 395.742 3.738 50 0 GHAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002763500 570299403 /nfs/dbraw/zinc/29/94/03/570299403.db2.gz USIUGWOPSFXAQY-SJORKVTESA-N -1 0 387.867 3.807 50 0 GHAARM COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002939465 570319098 /nfs/dbraw/zinc/31/90/98/570319098.db2.gz AKPILHYUXCNMPO-UHFFFAOYSA-N -1 0 390.395 3.898 50 0 GHAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000035397486 570349020 /nfs/dbraw/zinc/34/90/20/570349020.db2.gz JALHNUGERWIRDM-UHFFFAOYSA-N -1 0 391.493 3.515 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1 ZINC000004334423 570368646 /nfs/dbraw/zinc/36/86/46/570368646.db2.gz PQYSUDABVMSHIA-UHFFFAOYSA-N -1 0 393.515 3.939 50 0 GHAARM Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)sc1-c1ccc(F)cc1 ZINC000237672392 570389025 /nfs/dbraw/zinc/38/90/25/570389025.db2.gz SRTYTRVVMMNNBP-UHFFFAOYSA-N -1 0 391.464 3.959 50 0 GHAARM S=c1[n-]nc(CCN2CCN(c3ccc(Cl)cc3)CC2)n1-c1ccccc1 ZINC000004798016 570406074 /nfs/dbraw/zinc/40/60/74/570406074.db2.gz PJNLERXKUMWQCJ-UHFFFAOYSA-N -1 0 399.951 3.948 50 0 GHAARM COc1cc([N-]S(=O)(=O)Cc2ccccc2Cl)c(OC)cc1Cl ZINC000004814465 570407893 /nfs/dbraw/zinc/40/78/93/570407893.db2.gz CNQAIDYYHDBREA-UHFFFAOYSA-N -1 0 376.261 3.953 50 0 GHAARM COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000004860081 570413383 /nfs/dbraw/zinc/41/33/83/570413383.db2.gz XXYLWDGZILYUBF-IBGZPJMESA-N -1 0 396.443 3.555 50 0 GHAARM COc1cc(NC(=O)CSCc2ccccc2C)c(C(=O)[O-])cc1OC ZINC000004868638 570414239 /nfs/dbraw/zinc/41/42/39/570414239.db2.gz IMNZGSOWGXRXNR-UHFFFAOYSA-N -1 0 375.446 3.582 50 0 GHAARM Cc1cccnc1NC(=O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100630023 570418524 /nfs/dbraw/zinc/41/85/24/570418524.db2.gz OQWLSHFUXLODJG-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM COCC[C@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000400240373 570423649 /nfs/dbraw/zinc/42/36/49/570423649.db2.gz CAOKLPZUNDVULO-HSZRJFAPSA-N -1 0 395.455 3.749 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1F ZINC000005144798 570426424 /nfs/dbraw/zinc/42/64/24/570426424.db2.gz SYAHQJMTTUEZFY-UHFFFAOYSA-N -1 0 398.463 3.684 50 0 GHAARM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1OC ZINC000026538614 570426626 /nfs/dbraw/zinc/42/66/26/570426626.db2.gz IZGHRQUFRKIVQH-UHFFFAOYSA-N -1 0 395.330 3.542 50 0 GHAARM CCOc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c(OCC)c1 ZINC000005464842 570440839 /nfs/dbraw/zinc/44/08/39/570440839.db2.gz SZGGGYVUXYFZGA-AZUAARDMSA-N -1 0 380.444 3.654 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000006267713 570474836 /nfs/dbraw/zinc/47/48/36/570474836.db2.gz AQZHQMZFPJPBLR-UHFFFAOYSA-N -1 0 382.441 3.748 50 0 GHAARM Cc1cccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)c1 ZINC000006698625 570488628 /nfs/dbraw/zinc/48/86/28/570488628.db2.gz NRPJPBUQJVPFRL-UHFFFAOYSA-N -1 0 386.473 3.991 50 0 GHAARM CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000078869374 570509182 /nfs/dbraw/zinc/50/91/82/570509182.db2.gz FAIJMCIEDZVJOC-UHFFFAOYSA-N -1 0 389.260 3.551 50 0 GHAARM O=C([O-])[C@H](CNC(=O)c1ccccc1C(=O)c1cccs1)c1ccccc1 ZINC000225483718 570579016 /nfs/dbraw/zinc/57/90/16/570579016.db2.gz YMVHWICJMMLBFT-QGZVFWFLSA-N -1 0 379.437 3.577 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610740 570690613 /nfs/dbraw/zinc/69/06/13/570690613.db2.gz GRSDYVJMYIEISQ-KGLIPLIRSA-N -1 0 395.818 3.542 50 0 GHAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccccc4Cl)nn3c2=O)cc1 ZINC000101802929 570835434 /nfs/dbraw/zinc/83/54/34/570835434.db2.gz FJZBQPUJSJOULK-UHFFFAOYSA-N -1 0 393.878 3.891 50 0 GHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)cc1 ZINC000101835731 570836740 /nfs/dbraw/zinc/83/67/40/570836740.db2.gz JNJONFSVJZWMJB-MRXNPFEDSA-N -1 0 394.456 3.743 50 0 GHAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Sc3ccccc3N)c(F)c21 ZINC000023634370 570882186 /nfs/dbraw/zinc/88/21/86/570882186.db2.gz CFDLPZDSQUTHOL-UHFFFAOYSA-N -1 0 376.384 3.731 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCc4cc(Cl)ccc43)cc2[n-]c1=S ZINC000103469615 570885262 /nfs/dbraw/zinc/88/52/62/570885262.db2.gz TYTLWBVVYQIERK-INIZCTEOSA-N -1 0 399.903 3.776 50 0 GHAARM O=C(CCn1c(=O)c2oc3ccccc3c2[n-]c1=S)NCc1ccc(F)cc1 ZINC000101270114 570900454 /nfs/dbraw/zinc/90/04/54/570900454.db2.gz NZKBCWVNOBDJKD-UHFFFAOYSA-N -1 0 397.431 3.651 50 0 GHAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1OC ZINC000004580816 570911522 /nfs/dbraw/zinc/91/15/22/570911522.db2.gz MDDXCTRUPTYJFR-HNNXBMFYSA-N -1 0 377.824 3.693 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Br)C1 ZINC000238017932 570945327 /nfs/dbraw/zinc/94/53/27/570945327.db2.gz SOZTYWHKJMXWCU-LLVKDONJSA-N -1 0 379.254 3.647 50 0 GHAARM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1F ZINC000044857816 570978391 /nfs/dbraw/zinc/97/83/91/570978391.db2.gz WRJIDTTXNMZWNH-HNNXBMFYSA-N -1 0 385.844 3.838 50 0 GHAARM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c12 ZINC000194465288 570990709 /nfs/dbraw/zinc/99/07/09/570990709.db2.gz QHGODHDBMBMBOJ-UONOGXRCSA-N -1 0 386.496 3.601 50 0 GHAARM Cc1c(F)cccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000084041218 570991802 /nfs/dbraw/zinc/99/18/02/570991802.db2.gz UBJGUIPISOAREO-UHFFFAOYSA-N -1 0 378.208 3.940 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1F ZINC000045961649 571006740 /nfs/dbraw/zinc/00/67/40/571006740.db2.gz SJQYQJRVXDRQGP-UHFFFAOYSA-N -1 0 382.482 3.623 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=C(C)C)C(=O)N2C ZINC000046053927 571015563 /nfs/dbraw/zinc/01/55/63/571015563.db2.gz CWXJTTPCBXAWPV-UHFFFAOYSA-N -1 0 386.473 3.574 50 0 GHAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C2)c1 ZINC000095355937 571052000 /nfs/dbraw/zinc/05/20/00/571052000.db2.gz QWVGCCLSIKQYDS-LJQANCHMSA-N -1 0 375.428 3.795 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1C(=O)[O-] ZINC000032097447 600810123 /nfs/dbraw/zinc/81/01/23/600810123.db2.gz HBWBHVYPZNUPSW-UHFFFAOYSA-N -1 0 388.445 3.933 50 0 GHAARM Cc1ccc2nc(C3CC3)cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)c2c1 ZINC000190804373 601181969 /nfs/dbraw/zinc/18/19/69/601181969.db2.gz DQYMLPCKRXZFNX-MRXNPFEDSA-N -1 0 382.460 3.517 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005013811 843336280 /nfs/dbraw/zinc/33/62/80/843336280.db2.gz XPILEFALUNYFDR-CABCVRRESA-N -1 0 392.883 3.796 50 0 GHAARM CCOC(=O)c1ccc([N-][C@](NC(=O)OC)(c2ccccc2)C(F)(F)F)o1 ZINC000002654113 861477414 /nfs/dbraw/zinc/47/74/14/861477414.db2.gz AAZVZCSKHNGOIT-INIZCTEOSA-N -1 0 386.326 3.640 50 0 GHAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000002778277 861607590 /nfs/dbraw/zinc/60/75/90/861607590.db2.gz RZPCRNANZGNQQF-UHFFFAOYSA-N -1 0 378.457 3.589 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nncn2C)cc1 ZINC000003347787 862357072 /nfs/dbraw/zinc/35/70/72/862357072.db2.gz POGZBMZEOKMHLU-UHFFFAOYSA-N -1 0 394.909 3.729 50 0 GHAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097522 862810721 /nfs/dbraw/zinc/81/07/21/862810721.db2.gz OCOPBXUANXREAQ-UHFFFAOYSA-N -1 0 394.474 3.774 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(F)c1F ZINC000040267581 856718404 /nfs/dbraw/zinc/71/84/04/856718404.db2.gz UMQWGLAXMOIUQS-GOSISDBHSA-N -1 0 398.369 3.566 50 0 GHAARM [O-]c1c([C@H](c2ccc(Br)cc2F)N2CCCC2)sc2ncnn12 ZINC000253409065 856979224 /nfs/dbraw/zinc/97/92/24/856979224.db2.gz LIYRHTLGWYHOMG-LBPRGKRZSA-N -1 0 397.273 3.583 50 0 GHAARM Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237641066 877731273 /nfs/dbraw/zinc/73/12/73/877731273.db2.gz NHXUWOWDNMWHIQ-MRXNPFEDSA-N -1 0 386.448 3.587 50 0 GHAARM C[C@H]1CCn2ncc(C(=O)N3CCC([C@@H](CC(=O)[O-])c4ccccc4)CC3)c2C1 ZINC000621544413 884831247 /nfs/dbraw/zinc/83/12/47/884831247.db2.gz WDXPTECZTFZOKQ-LPHOPBHVSA-N -1 0 395.503 3.576 50 0 GHAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237768263 885050497 /nfs/dbraw/zinc/05/04/97/885050497.db2.gz OGBSYEUSNJNVAD-CYBMUJFWSA-N -1 0 393.846 3.690 50 0 GHAARM CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000217928714 894697750 /nfs/dbraw/zinc/69/77/50/894697750.db2.gz LICRMFHNUCNWDT-OAHLLOKOSA-N -1 0 392.363 3.994 50 0 biogenic GHAARM COc1cc2nc(C(Cl)=Cc3ccc(C(=O)[O-])cc3)[nH]c(=O)c2cc1OC ZINC000096759054 915031246 /nfs/dbraw/zinc/03/12/46/915031246.db2.gz MNPOHCUXRSZDTG-NTUHNPAUSA-N -1 0 386.791 3.788 50 0 GHAARM COc1ccc(C(=O)NC([N-]c2cc(C)on2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000001036953 212208193 /nfs/dbraw/zinc/20/81/93/212208193.db2.gz XNBNXPYTZUNURC-UHFFFAOYSA-N -1 0 397.275 3.654 50 0 GHAARM CN(C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000001051310 212211128 /nfs/dbraw/zinc/21/11/28/212211128.db2.gz QFWFOAATDWZGLO-MOPGFXCFSA-N -1 0 378.428 3.569 50 0 GHAARM COc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000001058226 212210823 /nfs/dbraw/zinc/21/08/23/212210823.db2.gz RNEFMYPTVKJMIA-UHFFFAOYSA-N -1 0 399.424 3.987 50 0 GHAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000629784 212167104 /nfs/dbraw/zinc/16/71/04/212167104.db2.gz KYBLCSMSEXHJLG-JQBYJRRVSA-N -1 0 395.414 3.781 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1Cl)N1CCCCC1 ZINC000000645915 212168834 /nfs/dbraw/zinc/16/88/34/212168834.db2.gz QPANMRKQSFRFCJ-UHFFFAOYSA-N -1 0 392.908 3.908 50 0 GHAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccc(Cl)cc2)cc1 ZINC000000644009 212168656 /nfs/dbraw/zinc/16/86/56/212168656.db2.gz MOAKBEVLMAYHAU-UHFFFAOYSA-N -1 0 375.837 3.773 50 0 GHAARM COc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1OC ZINC000096759341 212156004 /nfs/dbraw/zinc/15/60/04/212156004.db2.gz PUKAQAHUIGWJKS-NTUHNPAUSA-N -1 0 386.791 3.788 50 0 GHAARM CCOc1cc(C=Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)ccc1OC ZINC000096298647 212154308 /nfs/dbraw/zinc/15/43/08/212154308.db2.gz HCZIMMUBWRCSRI-VURMDHGXSA-N -1 0 386.429 3.569 50 0 GHAARM O=C([O-])C[C@]1(C(=O)NC2CCCCCC2)CC(c2ccc(Cl)cc2)=NO1 ZINC000005452175 220872428 /nfs/dbraw/zinc/87/24/28/220872428.db2.gz IRDXRFYDYBMYQS-IBGZPJMESA-N -1 0 378.856 3.517 50 0 GHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)/C=C/C(=O)[O-])cc1C ZINC000008429676 221041009 /nfs/dbraw/zinc/04/10/09/221041009.db2.gz LLTFFJAPVOZUNF-VAWYXSNFSA-N -1 0 389.455 3.755 50 0 GHAARM O=C([O-])C[C@@H]1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 ZINC000008391836 221039805 /nfs/dbraw/zinc/03/98/05/221039805.db2.gz PIDZXRXAOSMZRQ-LBPRGKRZSA-N -1 0 390.877 3.861 50 0 in-vitro GHAARM Cc1cc(=O)oc2cc3occ(CCNC(=O)c4ccccc4C(=O)[O-])c3cc12 ZINC000008991564 221067759 /nfs/dbraw/zinc/06/77/59/221067759.db2.gz CJBAHDJHMQWDMC-UHFFFAOYSA-N -1 0 391.379 3.518 50 0 GHAARM Cc1csc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000010555943 221104668 /nfs/dbraw/zinc/10/46/68/221104668.db2.gz LQHFQZFNGAOOOK-UHFFFAOYSA-N -1 0 379.488 3.566 50 0 GHAARM COc1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000012536001 221203271 /nfs/dbraw/zinc/20/32/71/221203271.db2.gz LBPDRZQADMOFTP-UHFFFAOYSA-N -1 0 399.424 3.987 50 0 GHAARM Cc1cc(C)c(C)c2[nH]c(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)cc21 ZINC000012867248 221239878 /nfs/dbraw/zinc/23/98/78/221239878.db2.gz FVIVCUBWJBVITN-UHFFFAOYSA-N -1 0 380.473 3.663 50 0 GHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000012999255 221255138 /nfs/dbraw/zinc/25/51/38/221255138.db2.gz LISBRBWRNAQBPO-UHFFFAOYSA-N -1 0 380.185 3.976 50 0 GHAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1 ZINC000013346302 221265901 /nfs/dbraw/zinc/26/59/01/221265901.db2.gz BLBKULPAHASTCP-UHFFFAOYSA-N -1 0 389.458 3.679 50 0 GHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1cccc2ccccc21 ZINC000013235142 221263914 /nfs/dbraw/zinc/26/39/14/221263914.db2.gz DUQFPKZWHYVBKZ-OAQYLSRUSA-N -1 0 387.439 3.816 50 0 GHAARM COC(=O)c1c(SCC(=O)Nc2ccc(C)c(C)c2)[n-]c2ccccc2c1=O ZINC000015731477 221342163 /nfs/dbraw/zinc/34/21/63/221342163.db2.gz CDNBKQPICLOFAB-UHFFFAOYSA-N -1 0 396.468 3.662 50 0 GHAARM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2s1 ZINC000015870338 221351235 /nfs/dbraw/zinc/35/12/35/221351235.db2.gz YRUVCNRFVFIPNX-UHFFFAOYSA-N -1 0 393.465 3.831 50 0 GHAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144218 221380060 /nfs/dbraw/zinc/38/00/60/221380060.db2.gz BPXUOULXXLAUFS-RWSFTLGLSA-N -1 0 392.912 3.657 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017079251 221377294 /nfs/dbraw/zinc/37/72/94/221377294.db2.gz KISDBMBYSNAQGR-NWDGAFQWSA-N -1 0 388.420 3.745 50 0 GHAARM O=C([N-]n1c(=O)c2cc(Cc3ccccc3)sc2[nH]c1=S)c1ccco1 ZINC000017078295 221377538 /nfs/dbraw/zinc/37/75/38/221377538.db2.gz UBFLGHQXQXHDTK-UHFFFAOYSA-N -1 0 383.454 3.688 50 0 GHAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017080208 221378569 /nfs/dbraw/zinc/37/85/69/221378569.db2.gz OLLHHPDRSLETIW-LBPRGKRZSA-N -1 0 392.521 3.739 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000017080042 221378814 /nfs/dbraw/zinc/37/88/14/221378814.db2.gz IGXHFRYLGGZHHP-UHFFFAOYSA-N -1 0 391.880 3.952 50 0 GHAARM C[C@@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1cccc(Cl)c1 ZINC000017908645 221385131 /nfs/dbraw/zinc/38/51/31/221385131.db2.gz VITCZBLDCWZYCD-GFCCVEGCSA-N -1 0 387.892 3.980 50 0 GHAARM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 ZINC000007885042 136195299 /nfs/dbraw/zinc/19/52/99/136195299.db2.gz GUDPDYAEGZROAD-HXUWFJFHSA-N -1 0 388.379 3.885 50 0 GHAARM Cc1nn(-c2ccccc2)c(C)c1CNc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000057355737 222031146 /nfs/dbraw/zinc/03/11/46/222031146.db2.gz CDWOZKCLLIOZSD-UHFFFAOYSA-N -1 0 386.459 3.583 50 0 GHAARM CCOc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)O2)cc1OCC ZINC000057371397 222032396 /nfs/dbraw/zinc/03/23/96/222032396.db2.gz QXCVGDWAAQSIRQ-LFIBNONCSA-N -1 0 381.384 3.527 50 0 GHAARM COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000049549121 222000272 /nfs/dbraw/zinc/00/02/72/222000272.db2.gz BRJQWKPPUYJOFV-UHFFFAOYSA-N -1 0 382.441 3.755 50 0 GHAARM O=C([O-])CC1(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)CCCCC1 ZINC000055151025 222016356 /nfs/dbraw/zinc/01/63/56/222016356.db2.gz RUNHEFHBZKGFTJ-UHFFFAOYSA-N -1 0 376.428 3.706 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)c1 ZINC000065031297 222096398 /nfs/dbraw/zinc/09/63/98/222096398.db2.gz AYAYSTKWRJHXHT-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098731 222101130 /nfs/dbraw/zinc/10/11/30/222101130.db2.gz SQSWSELKUPFSES-UHFFFAOYSA-N -1 0 391.474 3.793 50 0 GHAARM CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC000065114687 222102185 /nfs/dbraw/zinc/10/21/85/222102185.db2.gz DZHOXLNYAFLMJV-UHFFFAOYSA-N -1 0 392.459 3.791 50 0 GHAARM Cc1sc(-c2nnc(C3CC3)o2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000065149441 222103212 /nfs/dbraw/zinc/10/32/12/222103212.db2.gz AECPLHNCWXTGIJ-UHFFFAOYSA-N -1 0 379.438 3.924 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)c(F)c1 ZINC000065246428 222114165 /nfs/dbraw/zinc/11/41/65/222114165.db2.gz QQMHBVIREGHEOE-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2C1 ZINC000065196176 222110119 /nfs/dbraw/zinc/11/01/19/222110119.db2.gz YTSIHASWAQKNCO-UHFFFAOYSA-N -1 0 392.546 3.967 50 0 GHAARM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)[N-]c4cccnc4)c3)n2)cc1 ZINC000064610874 222076719 /nfs/dbraw/zinc/07/67/19/222076719.db2.gz DASYSNUTZMRVAZ-UHFFFAOYSA-N -1 0 392.440 3.908 50 0 GHAARM CCOc1ccc(-c2ccnc(COc3cccc(OC)c3)n2)cc1C(=O)[O-] ZINC000071752028 222191728 /nfs/dbraw/zinc/19/17/28/222191728.db2.gz CZXVIVPMAZZZCG-UHFFFAOYSA-N -1 0 380.400 3.828 50 0 GHAARM Cc1noc(C)c1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C(=O)[O-])cc1 ZINC000079481620 222305662 /nfs/dbraw/zinc/30/56/62/222305662.db2.gz FBFXIHUSUZITOH-QGZVFWFLSA-N -1 0 398.444 3.908 50 0 GHAARM CC(C)(C)c1cc(NC(=O)COc2ccccc2)n(-c2cccc(C(=O)[O-])c2)n1 ZINC000096184194 222397353 /nfs/dbraw/zinc/39/73/53/222397353.db2.gz QRJMFJMRZILULC-UHFFFAOYSA-N -1 0 393.443 3.886 50 0 GHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000019881489 570227494 /nfs/dbraw/zinc/22/74/94/570227494.db2.gz SHIYYQOYFQIHJP-LBPRGKRZSA-N -1 0 397.239 3.511 50 0 GHAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)cc2oc1=O ZINC000019936611 570231435 /nfs/dbraw/zinc/23/14/35/570231435.db2.gz FIWLHLQVSUFZSJ-UHFFFAOYSA-N -1 0 396.424 3.725 50 0 GHAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C)C(=O)[O-])occ3C(C)(C)C ZINC000006075907 570234636 /nfs/dbraw/zinc/23/46/36/570234636.db2.gz VSSVMIJBBAGQFJ-GFCCVEGCSA-N -1 0 399.443 3.667 50 0 GHAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000003222763 570332659 /nfs/dbraw/zinc/33/26/59/570332659.db2.gz NERHKLGIDJNXFW-UHFFFAOYSA-N -1 0 376.217 3.501 50 0 GHAARM COc1cccc(NCc2nnc(SCC(=O)[O-])n2C2CCCCC2)c1 ZINC000003445770 570346242 /nfs/dbraw/zinc/34/62/42/570346242.db2.gz HDIZPDOTBVNUFV-UHFFFAOYSA-N -1 0 376.482 3.581 50 0 GHAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccnc2)cc1 ZINC000006244606 570348265 /nfs/dbraw/zinc/34/82/65/570348265.db2.gz WWJKUOIVFBPZEE-UHFFFAOYSA-N -1 0 397.456 3.533 50 0 GHAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000035397390 570348900 /nfs/dbraw/zinc/34/89/00/570348900.db2.gz OUZKTVHWOPJRQF-UHFFFAOYSA-N -1 0 391.493 3.515 50 0 GHAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000033253367 570403525 /nfs/dbraw/zinc/40/35/25/570403525.db2.gz KALKATAYYJLBNU-UHFFFAOYSA-N -1 0 376.478 3.730 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000238064334 570422615 /nfs/dbraw/zinc/42/26/15/570422615.db2.gz NODVOFOMCUTHTF-JKSUJKDBSA-N -1 0 385.410 3.713 50 0 GHAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccccc1 ZINC000136643883 570476715 /nfs/dbraw/zinc/47/67/15/570476715.db2.gz IIZSBLCPCQBVMB-PWRODBHTSA-N -1 0 388.398 3.877 50 0 GHAARM O=C(NC1CCCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115411 570520459 /nfs/dbraw/zinc/52/04/59/570520459.db2.gz XOIDFAHHDGCKDY-UHFFFAOYSA-N -1 0 390.530 3.639 50 0 GHAARM CC[C@@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274551 570522984 /nfs/dbraw/zinc/52/29/84/570522984.db2.gz WWZAADLZSIMWFM-CQSZACIVSA-N -1 0 390.480 3.573 50 0 GHAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCCC(=O)[O-] ZINC000033956029 570524739 /nfs/dbraw/zinc/52/47/39/570524739.db2.gz ZCTAOAWRUXSOQF-GWSKAPOCSA-N -1 0 382.541 3.823 50 0 in-vitro GHAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002838255 570536233 /nfs/dbraw/zinc/53/62/33/570536233.db2.gz RDAAAODXZHZNMQ-ZWKOTPCHSA-N -1 0 378.428 3.853 50 0 GHAARM O=C([O-])c1ccc(CCNC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1 ZINC000225446250 570574994 /nfs/dbraw/zinc/57/49/94/570574994.db2.gz NCEBNCKNUDUYHV-OAQYLSRUSA-N -1 0 375.424 3.864 50 0 GHAARM O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)c1ccccc1Cl ZINC000225468676 570577648 /nfs/dbraw/zinc/57/76/48/570577648.db2.gz XBFLTDCYLFHYRO-UHFFFAOYSA-N -1 0 380.882 3.551 50 0 GHAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nccs1 ZINC000038528724 570580527 /nfs/dbraw/zinc/58/05/27/570580527.db2.gz WSMJGKBXDVPSJT-KRWDZBQOSA-N -1 0 380.425 3.808 50 0 GHAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cncnc1 ZINC000044076419 570631595 /nfs/dbraw/zinc/63/15/95/570631595.db2.gz LYVBFCNDWDOABW-FQEVSTJZSA-N -1 0 389.411 3.531 50 0 GHAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887770 570682955 /nfs/dbraw/zinc/68/29/55/570682955.db2.gz WYRBZXXQWQBXQZ-UHFFFAOYSA-N -1 0 392.458 3.689 50 0 GHAARM CCCn1nccc1[C@@H]1CC(c2c([O-])cc(C)oc2=O)=Nc2ccccc2N1 ZINC000036619562 570765621 /nfs/dbraw/zinc/76/56/21/570765621.db2.gz ACVKJYVSRWFGHO-INIZCTEOSA-N -1 0 378.432 3.938 50 0 GHAARM FC(F)(F)c1cnc(C(F)(F)c2nnc(Br)[n-]2)c(Cl)c1 ZINC000261494761 570789965 /nfs/dbraw/zinc/78/99/65/570789965.db2.gz DOSPHOZXLLNQDT-UHFFFAOYSA-N -1 0 377.498 3.775 50 0 GHAARM Cc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723232 570830144 /nfs/dbraw/zinc/83/01/44/570830144.db2.gz ROFPOTZZRDBTHN-UHFFFAOYSA-N -1 0 389.386 3.791 50 0 GHAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)c1 ZINC000101722906 570830271 /nfs/dbraw/zinc/83/02/71/570830271.db2.gz NDGPAENGGWQIDT-UHFFFAOYSA-N -1 0 399.450 3.965 50 0 GHAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000037018951 570833192 /nfs/dbraw/zinc/83/31/92/570833192.db2.gz JIVPARBYTWXEMI-DINCDJDBSA-N -1 0 384.457 3.775 50 0 GHAARM CCc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(C)cc2)c3=O)cc1 ZINC000101802903 570835158 /nfs/dbraw/zinc/83/51/58/570835158.db2.gz OKTOKAVPLSDIQR-UHFFFAOYSA-N -1 0 387.487 3.800 50 0 GHAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000012548611 570850901 /nfs/dbraw/zinc/85/09/01/570850901.db2.gz FUIREQCQXZCPPA-UHFFFAOYSA-N -1 0 398.406 3.577 50 0 GHAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC)CC)cc1 ZINC000033254056 570861920 /nfs/dbraw/zinc/86/19/20/570861920.db2.gz LSVDTBBKYVWXJV-UHFFFAOYSA-N -1 0 376.478 3.594 50 0 GHAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)cc1 ZINC000102818632 570865312 /nfs/dbraw/zinc/86/53/12/570865312.db2.gz WUNPXYSLXAANRA-IRXDYDNUSA-N -1 0 384.823 3.545 50 0 GHAARM Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCC3(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000192967398 570896244 /nfs/dbraw/zinc/89/62/44/570896244.db2.gz UHPAOUWFRBTUSE-LJQANCHMSA-N -1 0 383.492 3.815 50 0 GHAARM O=C(Nc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000006697977 570938881 /nfs/dbraw/zinc/93/88/81/570938881.db2.gz NUFRPBYBXAENCY-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM CC(C)COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000002107942 570948539 /nfs/dbraw/zinc/94/85/39/570948539.db2.gz PNQHONFIHAEHLR-HXUWFJFHSA-N -1 0 380.444 3.628 50 0 biogenic GHAARM O=C([O-])C[C@H](CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000223107282 570957816 /nfs/dbraw/zinc/95/78/16/570957816.db2.gz UWVQRFDWFJTOCL-ZDUSSCGKSA-N -1 0 375.808 3.698 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000007726611 571024628 /nfs/dbraw/zinc/02/46/28/571024628.db2.gz MGGICBXUDFAJPE-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM Cc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c(C)n1[C@H](C)c1ccccc1 ZINC000237766852 600966481 /nfs/dbraw/zinc/96/64/81/600966481.db2.gz ZQXFNJUAMPDTDQ-QGZVFWFLSA-N -1 0 398.503 3.810 50 0 GHAARM O=C([O-])c1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000002402450 604758854 /nfs/dbraw/zinc/75/88/54/604758854.db2.gz MLVCHXCLGWMRSV-UHFFFAOYSA-N -1 0 376.441 3.865 50 0 GHAARM COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)n[nH]1 ZINC000079015926 842248327 /nfs/dbraw/zinc/24/83/27/842248327.db2.gz RBXABQFBXMNUGN-UHFFFAOYSA-N -1 0 381.816 3.679 50 0 GHAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002925450 861799563 /nfs/dbraw/zinc/79/95/63/861799563.db2.gz WKMZKEZDECIERM-UHFFFAOYSA-N -1 0 393.921 3.871 50 0 GHAARM Cc1cccc(COc2ccc(Br)cc2/C=C2/NC(=O)[N-]C2=O)c1 ZINC000027551258 855187815 /nfs/dbraw/zinc/18/78/15/855187815.db2.gz XSZMBVWCCZGYIO-OQLLNIDSSA-N -1 0 387.233 3.517 50 0 GHAARM O=C(c1cccc([N-]S(=O)(=O)c2cccs2)c1)N1CCc2ccccc21 ZINC000040143246 856680223 /nfs/dbraw/zinc/68/02/23/856680223.db2.gz NWMMWSNXSVLWQM-UHFFFAOYSA-N -1 0 384.482 3.752 50 0 GHAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3c(C)cccc3F)ccc21 ZINC000187042002 858859110 /nfs/dbraw/zinc/85/91/10/858859110.db2.gz HQKOIYCPBRSSSE-UHFFFAOYSA-N -1 0 376.453 3.624 50 0 GHAARM CN(Cc1nccs1)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000020821587 860650067 /nfs/dbraw/zinc/65/00/67/860650067.db2.gz GGKUFXXKHSYRRO-UHFFFAOYSA-N -1 0 389.484 3.587 50 0 GHAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000096379484 860906765 /nfs/dbraw/zinc/90/67/65/860906765.db2.gz LBBBXZKOJCYEOU-UHFFFAOYSA-N -1 0 394.403 3.638 50 0 GHAARM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577902 861152154 /nfs/dbraw/zinc/15/21/54/861152154.db2.gz LXYYTZOWMMZQSJ-GOSISDBHSA-N -1 0 399.564 3.519 50 0 GHAARM COc1cc([C@H]2C[C@@H](NC(C)=O)C[C@@H](c3ccc(C(=O)[O-])cc3)O2)ccc1F ZINC000065380401 868823732 /nfs/dbraw/zinc/82/37/32/868823732.db2.gz QTSGWOZROJXEAE-YTQUADARSA-N -1 0 387.407 3.630 50 0 GHAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1 ZINC000066087847 878038888 /nfs/dbraw/zinc/03/88/88/878038888.db2.gz HODZCLPEWUWACM-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191536290 885335119 /nfs/dbraw/zinc/33/51/19/885335119.db2.gz QEDRDNLFTQLLJB-CQSZACIVSA-N -1 0 383.398 3.876 50 0 GHAARM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)C1 ZINC000262994066 892393997 /nfs/dbraw/zinc/39/39/97/892393997.db2.gz DXQIRDBZVXMLKL-JTQLQIEISA-N -1 0 385.367 3.767 50 0 GHAARM CC(=O)c1ccc2c(c1O)[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000217838362 894545575 /nfs/dbraw/zinc/54/55/75/894545575.db2.gz CRSPXDCVZBOAIV-HNNXBMFYSA-N -1 0 392.363 3.994 50 0 biogenic GHAARM O=C(C=Cc1csc(Br)c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000116015139 911025602 /nfs/dbraw/zinc/02/56/02/911025602.db2.gz OODIWEDRIQUHHK-SNAWJCMRSA-N -1 0 392.234 3.506 50 0 GHAARM C[C@H](CSCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000723271061 919709108 /nfs/dbraw/zinc/70/91/08/919709108.db2.gz ZEMRXCRVWRGPAD-CQSZACIVSA-N -1 0 385.485 3.979 50 0 GHAARM CCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000002027926 212261049 /nfs/dbraw/zinc/26/10/49/212261049.db2.gz LDLPAHUJHBIHIG-UHFFFAOYSA-N -1 0 381.384 3.532 50 0 GHAARM CSc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccn1 ZINC000001041362 212208871 /nfs/dbraw/zinc/20/88/71/212208871.db2.gz IUHWKHVRYLMOOI-UHFFFAOYSA-N -1 0 380.882 3.648 50 0 GHAARM Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000001002285 212204763 /nfs/dbraw/zinc/20/47/63/212204763.db2.gz FARWYGVJXXNMDN-JKSUJKDBSA-N -1 0 375.856 3.723 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3OC)C2)cc1 ZINC000000907731 212193666 /nfs/dbraw/zinc/19/36/66/212193666.db2.gz PZAMPEWNCSRTQL-IBGZPJMESA-N -1 0 396.443 3.636 50 0 GHAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCc1ccccc1 ZINC000000754764 212179156 /nfs/dbraw/zinc/17/91/56/212179156.db2.gz KLSNECTWBZBEPH-BBITVKMKSA-N -1 0 383.447 3.911 50 0 GHAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000687823 212175314 /nfs/dbraw/zinc/17/53/14/212175314.db2.gz PMLCKBFIRNPGCI-UHFFFAOYSA-N -1 0 394.496 3.901 50 0 GHAARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O ZINC000004690907 220748564 /nfs/dbraw/zinc/74/85/64/220748564.db2.gz NMINFSGZGOCOQP-CXUHLZMHSA-N -1 0 387.388 3.526 50 0 GHAARM CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000008738159 221053744 /nfs/dbraw/zinc/05/37/44/221053744.db2.gz MBZXSYCFSXPYGM-FUHWJXTLSA-N -1 0 381.432 3.525 50 0 GHAARM CCCn1nc([N-]S(=O)(=O)c2ccc(F)cc2)c2cc3ccccc3nc21 ZINC000009088466 221069857 /nfs/dbraw/zinc/06/98/57/221069857.db2.gz AKDGUPKFBJDDHU-UHFFFAOYSA-N -1 0 384.436 3.934 50 0 GHAARM CC[C@@H](C)[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000009054169 221069209 /nfs/dbraw/zinc/06/92/09/221069209.db2.gz BOBGXNFJZLYCIE-WBMJQRKESA-N -1 0 375.494 3.685 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)no1 ZINC000012344447 221183918 /nfs/dbraw/zinc/18/39/18/221183918.db2.gz WZDDOPSSKCQYJW-UHFFFAOYSA-N -1 0 397.456 3.525 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c(Br)c1 ZINC000012521403 221201435 /nfs/dbraw/zinc/20/14/35/221201435.db2.gz YDYPQODHNIILSJ-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc([O-])c(Cl)c1 ZINC000012925014 221247507 /nfs/dbraw/zinc/24/75/07/221247507.db2.gz AZENKLPMGBCYFN-UHFFFAOYSA-N -1 0 389.864 3.744 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2ccccc2I)CCCCC1 ZINC000013250239 221264307 /nfs/dbraw/zinc/26/43/07/221264307.db2.gz IUBYIJIDHNEVFS-UHFFFAOYSA-N -1 0 387.217 3.655 50 0 GHAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)ccc1C ZINC000013464644 221269006 /nfs/dbraw/zinc/26/90/06/221269006.db2.gz ORSVLIBXUQZJDS-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000017247994 221382628 /nfs/dbraw/zinc/38/26/28/221382628.db2.gz IGHJOIBTCWYJBO-UHFFFAOYSA-N -1 0 384.910 3.892 50 0 GHAARM O=C([O-])c1cc(N2CCC[C@H](c3nccn3CC3CC3)C2)nc2ccccc21 ZINC000095519102 136180894 /nfs/dbraw/zinc/18/08/94/136180894.db2.gz FNZDCXFJPOXWJY-INIZCTEOSA-N -1 0 376.460 3.924 50 0 GHAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000032932350 221753690 /nfs/dbraw/zinc/75/36/90/221753690.db2.gz OLZIUVHUZZUIJI-UHFFFAOYSA-N -1 0 383.260 3.888 50 0 GHAARM O=C(NCc1cccc(OC(F)F)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000051439617 222006978 /nfs/dbraw/zinc/00/69/78/222006978.db2.gz FVBSARWRWVPIRS-UHFFFAOYSA-N -1 0 377.372 3.529 50 0 GHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098730 222100734 /nfs/dbraw/zinc/10/07/34/222100734.db2.gz ONGKXFCVOYYDNC-UHFFFAOYSA-N -1 0 379.438 3.924 50 0 GHAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cccc(C)c2)c(C)n1C ZINC000065194187 222108451 /nfs/dbraw/zinc/10/84/51/222108451.db2.gz CJGIKBHWKCRUMU-UHFFFAOYSA-N -1 0 386.477 3.679 50 0 GHAARM Cc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)n2C)o1 ZINC000065186495 222109113 /nfs/dbraw/zinc/10/91/13/222109113.db2.gz HVCIMRKSDPLIHA-UHFFFAOYSA-N -1 0 394.884 3.763 50 0 GHAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000058377277 222050751 /nfs/dbraw/zinc/05/07/51/222050751.db2.gz WZUYKQIXBLZCPU-UHFFFAOYSA-N -1 0 376.217 3.506 50 0 GHAARM CCc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccccc5)c4[nH]c3=O)n2)cc1 ZINC000065256940 222117643 /nfs/dbraw/zinc/11/76/43/222117643.db2.gz DDNQKJKQQWUIRI-UHFFFAOYSA-N -1 0 399.410 3.699 50 0 GHAARM Cc1nc2c(cc(OCC(=O)[N-]O[C@H]3CCCCO3)c3ccsc32)s1 ZINC000065500042 222130965 /nfs/dbraw/zinc/13/09/65/222130965.db2.gz KJRQITIRDRNEGN-HNNXBMFYSA-N -1 0 378.475 3.773 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(C)C)c2)cc1 ZINC000067245489 222141995 /nfs/dbraw/zinc/14/19/95/222141995.db2.gz YKGUQHFTJZTFAA-UHFFFAOYSA-N -1 0 398.488 3.895 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000068351896 222170897 /nfs/dbraw/zinc/17/08/97/222170897.db2.gz RQJARZSAMVURIS-HOTGVXAUSA-N -1 0 386.835 3.920 50 0 GHAARM COc1ccc(C[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000071405956 222183039 /nfs/dbraw/zinc/18/30/39/222183039.db2.gz HUIITDHBGGLFIT-CYBMUJFWSA-N -1 0 381.350 3.986 50 0 GHAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000071335625 222184176 /nfs/dbraw/zinc/18/41/76/222184176.db2.gz XRVWDPGFAIBUDM-MRXNPFEDSA-N -1 0 384.432 3.683 50 0 GHAARM CO[C@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000071746676 222187758 /nfs/dbraw/zinc/18/77/58/222187758.db2.gz DGSYLTLSSBNFFS-CQSZACIVSA-N -1 0 389.473 3.544 50 0 GHAARM COc1ccc(CCCNC(=O)c2ccc(-c3ccccc3C(=O)[O-])nc2)cc1 ZINC000071761293 222194197 /nfs/dbraw/zinc/19/41/97/222194197.db2.gz MIIAGLCTTSWLJM-UHFFFAOYSA-N -1 0 390.439 3.818 50 0 GHAARM COc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3cc(Cl)ccc3O2)cc1 ZINC000072332293 222230082 /nfs/dbraw/zinc/23/00/82/222230082.db2.gz JGCQAXGMIDJENQ-JLTOFOAXSA-N -1 0 397.818 3.968 50 0 GHAARM C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(=O)[O-])c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000086003066 222325957 /nfs/dbraw/zinc/32/59/57/222325957.db2.gz LUJPVYUKTUFOAI-LNUYWUECSA-N -1 0 388.372 3.578 50 0 GHAARM COc1ccccc1Oc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000095067841 222329206 /nfs/dbraw/zinc/32/92/06/222329206.db2.gz KQGHUSZNYWFNEM-UHFFFAOYSA-N -1 0 399.424 3.987 50 0 GHAARM COc1ccc(-c2nnc(NCCc3c[nH]c4ccc(Cl)cc34)[n-]c2=O)cc1 ZINC000004818477 570238838 /nfs/dbraw/zinc/23/88/38/570238838.db2.gz FVZCZMPJDYWXRE-UHFFFAOYSA-N -1 0 395.850 3.630 50 0 GHAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1 ZINC000001157034 570250590 /nfs/dbraw/zinc/25/05/90/570250590.db2.gz IDEUQNJAICQHGH-NTEUORMPSA-N -1 0 380.625 3.958 50 0 GHAARM O=c1c2cc(-c3ccccc3)sc2[n-]c(=S)n1CCCN1CCOCC1 ZINC000020530344 570265322 /nfs/dbraw/zinc/26/53/22/570265322.db2.gz OLVLHXBPBQLDER-UHFFFAOYSA-N -1 0 387.530 3.510 50 0 GHAARM CCOP(=O)(OCC)[C@@H](NC(=O)c1ccco1)C(=O)c1ccc(C)cc1 ZINC000002107281 570274776 /nfs/dbraw/zinc/27/47/76/570274776.db2.gz DNQJTBJYNNQVJS-GOSISDBHSA-N -1 0 379.349 3.793 50 0 GHAARM Cc1cc([O-])c(-c2c(-c3ccc(C(C)C)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c32)c(=O)o1 ZINC000604405594 570361615 /nfs/dbraw/zinc/36/16/15/570361615.db2.gz RNHFNUODCCZYPG-UHFFFAOYSA-N -1 0 393.399 3.794 50 0 biogenic GHAARM O=C(CCCCCn1c(=S)[n-]c2ccccc2c1=O)NCc1cccs1 ZINC000006651539 570372137 /nfs/dbraw/zinc/37/21/37/570372137.db2.gz RGLIJJNLAXPDIZ-UHFFFAOYSA-N -1 0 387.530 3.997 50 0 GHAARM CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000004549559 570383602 /nfs/dbraw/zinc/38/36/02/570383602.db2.gz AYETVAZPPAPIGW-UHFFFAOYSA-N -1 0 392.864 3.954 50 0 GHAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237678007 570389719 /nfs/dbraw/zinc/38/97/19/570389719.db2.gz ALGSHGCXDAMFQD-NSHDSACASA-N -1 0 384.379 3.684 50 0 GHAARM CC(C)CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000024747154 570390928 /nfs/dbraw/zinc/39/09/28/570390928.db2.gz FUFBFZFANXZUIV-NSHDSACASA-N -1 0 396.463 3.555 50 0 GHAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(C)cc1 ZINC000004690501 570393612 /nfs/dbraw/zinc/39/36/12/570393612.db2.gz OGKXAPIZKHOTAE-UHFFFAOYSA-N -1 0 396.472 3.702 50 0 GHAARM Cc1nc(COc2cccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2)cs1 ZINC000237762388 570395312 /nfs/dbraw/zinc/39/53/12/570395312.db2.gz MOAOYRJNANZJLN-OAHLLOKOSA-N -1 0 388.489 3.748 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cc1 ZINC000238016272 570419724 /nfs/dbraw/zinc/41/97/24/570419724.db2.gz BQBBTMVQUOEPFK-MRXNPFEDSA-N -1 0 395.390 3.594 50 0 GHAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000002879837 570422168 /nfs/dbraw/zinc/42/21/68/570422168.db2.gz WOKMABCMZUGSED-UHFFFAOYSA-N -1 0 378.222 3.782 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(C)n4n3)c2)s1 ZINC000005150904 570428515 /nfs/dbraw/zinc/42/85/15/570428515.db2.gz DUVXCHRAGKELRK-UHFFFAOYSA-N -1 0 399.501 3.524 50 0 GHAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)c(C)c1 ZINC000006269271 570474774 /nfs/dbraw/zinc/47/47/74/570474774.db2.gz PLCJKLAJMSCZOE-UHFFFAOYSA-N -1 0 398.484 3.936 50 0 GHAARM Cc1oc(CN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000268944072 570489118 /nfs/dbraw/zinc/48/91/18/570489118.db2.gz UXDZDMCPEHANFX-CABCVRRESA-N -1 0 397.349 3.947 50 0 GHAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000030521589 570490423 /nfs/dbraw/zinc/49/04/23/570490423.db2.gz QJXJCQFHRSYVSM-CVEARBPZSA-N -1 0 386.835 3.920 50 0 GHAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccccc1 ZINC000139892522 570494527 /nfs/dbraw/zinc/49/45/27/570494527.db2.gz IIZSBLCPCQBVMB-PCCBWWKXSA-N -1 0 388.398 3.877 50 0 GHAARM Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2Cl)c1 ZINC000005199286 570500402 /nfs/dbraw/zinc/50/04/02/570500402.db2.gz GAXCNLCILAAWJE-UHFFFAOYSA-N -1 0 390.830 3.804 50 0 GHAARM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000002762938 570512336 /nfs/dbraw/zinc/51/23/36/570512336.db2.gz ISMXXKDEZHIUIF-UHFFFAOYSA-N -1 0 375.269 3.828 50 0 GHAARM COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)[O-])cs3)n2)c(OC)c1 ZINC000005243339 570526103 /nfs/dbraw/zinc/52/61/03/570526103.db2.gz MXZMHHSULDLPEC-UHFFFAOYSA-N -1 0 399.350 3.730 50 0 GHAARM Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(c(=O)[nH]2)CCCC3)cc1Cl ZINC000008587362 570535011 /nfs/dbraw/zinc/53/50/11/570535011.db2.gz AGTATSZFZZNXDZ-LLVKDONJSA-N -1 0 377.897 3.730 50 0 GHAARM CC(C)=CCC/C(C)=C\CC(C)(C)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004755721 570539911 /nfs/dbraw/zinc/53/99/11/570539911.db2.gz HPRZUVLINFKFRD-LJDDQICLSA-N -1 0 387.520 3.962 50 0 GHAARM O=C(CSc1n[n-]c(=S)s1)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000119271509 570618158 /nfs/dbraw/zinc/61/81/58/570618158.db2.gz NOWHQXAJQSZFEM-GUYCJALGSA-N -1 0 377.560 3.847 50 0 GHAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc21 ZINC000072314696 570662871 /nfs/dbraw/zinc/66/28/71/570662871.db2.gz QEWVHDUFNFLFDO-IBGZPJMESA-N -1 0 388.427 3.562 50 0 GHAARM CCC(Nc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005625236 570674256 /nfs/dbraw/zinc/67/42/56/570674256.db2.gz RCKQEBDCIZMTKC-FOCLMDBBSA-N -1 0 387.798 3.838 50 0 GHAARM COC(=O)c1c2c(sc1[N-]C(=O)c1nc(-c3ccc(C)cc3)no1)CCC2 ZINC000036612514 570757205 /nfs/dbraw/zinc/75/72/05/570757205.db2.gz NJNMRXYAMKLFHH-UHFFFAOYSA-N -1 0 383.429 3.634 50 0 GHAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cccc(Cl)c1 ZINC000036624024 570767766 /nfs/dbraw/zinc/76/77/66/570767766.db2.gz AURFSVHFWJKDET-NVXWUHKLSA-N -1 0 379.865 3.716 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000238018710 570776595 /nfs/dbraw/zinc/77/65/95/570776595.db2.gz NWMUNHQASJHGAX-LLVKDONJSA-N -1 0 384.354 3.784 50 0 GHAARM CCN(CCC(=O)[O-])C(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1 ZINC000170057765 570798971 /nfs/dbraw/zinc/79/89/71/570798971.db2.gz MHHCTYRHIGUZNM-UHFFFAOYSA-N -1 0 375.856 3.648 50 0 GHAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3ccc4c(c3)OCO4)no2)c1=O ZINC000101725355 570831227 /nfs/dbraw/zinc/83/12/27/570831227.db2.gz PJICATORJYSSPP-UHFFFAOYSA-N -1 0 391.383 3.563 50 0 GHAARM CCc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCOC)c3=O)cc1 ZINC000032843846 570852307 /nfs/dbraw/zinc/85/23/07/570852307.db2.gz AGKKMDLQWDDPTJ-UHFFFAOYSA-N -1 0 397.500 3.536 50 0 GHAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253551 570861435 /nfs/dbraw/zinc/86/14/35/570861435.db2.gz IVDLFYUZSXOTAU-UHFFFAOYSA-N -1 0 394.468 3.951 50 0 GHAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1C(F)(F)F ZINC000102762030 570863223 /nfs/dbraw/zinc/86/32/23/570863223.db2.gz HAJRYDOZCNATQL-UHFFFAOYSA-N -1 0 393.390 3.802 50 0 GHAARM CN(C(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1)c1ccccc1 ZINC000071284999 570887896 /nfs/dbraw/zinc/88/78/96/570887896.db2.gz IXPRONDZDPVCLL-UHFFFAOYSA-N -1 0 388.423 3.843 50 0 GHAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032103521 570960159 /nfs/dbraw/zinc/96/01/59/570960159.db2.gz AWMCTVXBIHSFIT-SFHVURJKSA-N -1 0 389.908 3.826 50 0 GHAARM Cc1ccc(-c2cc(C(=O)NC3(C(=O)[O-])CCOCC3)c3ccccc3n2)cc1 ZINC000095371138 835749146 /nfs/dbraw/zinc/74/91/46/835749146.db2.gz DNIJSGPMQJHDRJ-UHFFFAOYSA-N -1 0 390.439 3.574 50 0 GHAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(c4ccccc4)CC3)n2)c1 ZINC000078875613 836893086 /nfs/dbraw/zinc/89/30/86/836893086.db2.gz VYDWSCQNLXNXTF-UHFFFAOYSA-N -1 0 390.487 3.664 50 0 GHAARM CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000292881014 837154020 /nfs/dbraw/zinc/15/40/20/837154020.db2.gz MAILYLSRXVDAJK-UHFFFAOYSA-N -1 0 380.872 3.661 50 0 GHAARM CCn1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(F)cc3F)C2)c2ccccc21 ZINC000425255046 842729670 /nfs/dbraw/zinc/72/96/70/842729670.db2.gz MJVJGSSAXCLMFN-AEFFLSMTSA-N -1 0 398.409 3.880 50 0 GHAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCCc1ccccc1 ZINC000002925472 861799682 /nfs/dbraw/zinc/79/96/82/861799682.db2.gz AFRMPJRDQZVBIN-UHFFFAOYSA-N -1 0 387.530 3.650 50 0 GHAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(OC)cc3)c(=O)c2cc1OCC ZINC000002976528 862079149 /nfs/dbraw/zinc/07/91/49/862079149.db2.gz RSMFBGLZHUFVRZ-UHFFFAOYSA-N -1 0 386.473 3.540 50 0 GHAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCc1ccc(Cl)c(Cl)c1 ZINC000003043662 862140629 /nfs/dbraw/zinc/14/06/29/862140629.db2.gz PHQNSKVYWRTSFI-UHFFFAOYSA-N -1 0 394.283 3.682 50 0 GHAARM O=C([O-])[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1 ZINC000004280050 862928760 /nfs/dbraw/zinc/92/87/60/862928760.db2.gz SSLKNXWYQIZUOS-IBGZPJMESA-N -1 0 380.400 3.644 50 0 GHAARM O=C([O-])C[C@H](NC(=O)Cn1c2ccccc2nc1C1CC1)c1ccccc1Cl ZINC000095424080 860575419 /nfs/dbraw/zinc/57/54/19/860575419.db2.gz FAGFWROJISMTJD-KRWDZBQOSA-N -1 0 397.862 3.899 50 0 GHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC(C)(C)C)cc1 ZINC000095460464 860592110 /nfs/dbraw/zinc/59/21/10/860592110.db2.gz RAJOSZXODNWDQU-UHFFFAOYSA-N -1 0 375.446 3.645 50 0 GHAARM CSCC[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC000217927074 894696475 /nfs/dbraw/zinc/69/64/75/894696475.db2.gz KGQAFZYXMNOQLM-SFHVURJKSA-N -1 0 382.485 3.626 50 0 biogenic GHAARM CC(C)c1nnc2ccc([N-]S(=O)(=O)c3ccc(CC(F)(F)F)cc3)cn21 ZINC000191803745 895465615 /nfs/dbraw/zinc/46/56/15/895465615.db2.gz OSDWSJJRGCSTGG-UHFFFAOYSA-N -1 0 398.410 3.758 50 0 GHAARM COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc32)ccc1OCCC(=O)[O-] ZINC000096010313 914016754 /nfs/dbraw/zinc/01/67/54/914016754.db2.gz UPRVMIRQISMDBK-GDNBJRDFSA-N -1 0 390.395 3.820 50 0 GHAARM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC[C@H]1C(=O)[O-] ZINC000630569133 903449015 /nfs/dbraw/zinc/44/90/15/903449015.db2.gz VUROMXUTMKBGSW-WCQYABFASA-N -1 0 391.374 3.727 50 0 GHAARM CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002058355 291131579 /nfs/dbraw/zinc/13/15/79/291131579.db2.gz HYLVOBYVKYVWPH-INIZCTEOSA-N -1 0 396.871 3.758 50 0 biogenic,in-vitro GHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(Br)cc2s1 ZINC000001200862 212228209 /nfs/dbraw/zinc/22/82/09/212228209.db2.gz KWGFHDLSIVONRL-NXEZZACHSA-N -1 0 383.267 3.888 50 0 GHAARM C[C@@H](C(=O)[O-])n1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000000955160 212199947 /nfs/dbraw/zinc/19/99/47/212199947.db2.gz OPZKRDNVHUQNAO-QMMMGPOBSA-N -1 0 379.235 3.533 50 0 GHAARM CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000790834 212181710 /nfs/dbraw/zinc/18/17/10/212181710.db2.gz LBTAJBKPBRUCEL-UHFFFAOYSA-N -1 0 397.456 3.533 50 0 GHAARM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2NC1=O ZINC000009173494 212164402 /nfs/dbraw/zinc/16/44/02/212164402.db2.gz CYCREDBAZPHFLF-UHFFFAOYSA-N -1 0 386.882 3.559 50 0 GHAARM O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002325221 220522604 /nfs/dbraw/zinc/52/26/04/220522604.db2.gz OTYWQKLBAFKSLO-ZHACJKMWSA-N -1 0 376.368 3.882 50 0 GHAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])s1 ZINC000003864110 220669263 /nfs/dbraw/zinc/66/92/63/220669263.db2.gz KIIDVIXMIMGPRS-ZIAGYGMSSA-N -1 0 379.478 3.873 50 0 GHAARM COc1cc(/C=C/C(=O)[O-])ccc1OS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000007814902 221013166 /nfs/dbraw/zinc/01/31/66/221013166.db2.gz NCSNMDYBVBAVNL-VQHVLOKHSA-N -1 0 390.457 3.794 50 0 GHAARM Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000008867824 221061788 /nfs/dbraw/zinc/06/17/88/221061788.db2.gz BGXSICORJDETLJ-LJQANCHMSA-N -1 0 377.396 3.511 50 0 GHAARM CCc1cccc(CC)c1NC(=O)c1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000009592127 221086008 /nfs/dbraw/zinc/08/60/08/221086008.db2.gz JXUFRXLBBMRDTA-KRWDZBQOSA-N -1 0 380.444 3.501 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C(=O)N1CCCC1 ZINC000009684054 221089126 /nfs/dbraw/zinc/08/91/26/221089126.db2.gz UWZAWDXNWLTJLN-UHFFFAOYSA-N -1 0 395.912 3.630 50 0 GHAARM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCCO2 ZINC000011615534 221118848 /nfs/dbraw/zinc/11/88/48/221118848.db2.gz CGSGTUTZRIWSHQ-UHFFFAOYSA-N -1 0 382.850 3.522 50 0 GHAARM O=S(=O)([N-]c1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1 ZINC000012584279 221210243 /nfs/dbraw/zinc/21/02/43/221210243.db2.gz PZYKAEOBDWAVOD-UHFFFAOYSA-N -1 0 395.456 3.976 50 0 GHAARM O=S(=O)([N-]c1nc2ccc(F)cc2s1)c1cccc(Cl)c1Cl ZINC000013097413 221260047 /nfs/dbraw/zinc/26/00/47/221260047.db2.gz ITZWEIPKLJELHO-UHFFFAOYSA-N -1 0 377.249 3.965 50 0 GHAARM CC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2cccc(C)c2C)c1=O ZINC000014165390 221301153 /nfs/dbraw/zinc/30/11/53/221301153.db2.gz KAWUQTXSBFPTAW-UHFFFAOYSA-N -1 0 379.387 3.733 50 0 GHAARM CCCC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862114 221349992 /nfs/dbraw/zinc/34/99/92/221349992.db2.gz ZCIGWHLUBMMDBO-UHFFFAOYSA-N -1 0 375.475 3.836 50 0 GHAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)cc1C ZINC000017081512 221378539 /nfs/dbraw/zinc/37/85/39/221378539.db2.gz XVAVCBYNMLTFDK-LSDHHAIUSA-N -1 0 398.484 3.736 50 0 GHAARM O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCCC3)cn(Cc3ccccc3)c2c1 ZINC000036360430 221854821 /nfs/dbraw/zinc/85/48/21/221854821.db2.gz SIVOMLJONRRPBG-FQEVSTJZSA-N -1 0 378.428 3.609 50 0 GHAARM Cc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000058196707 222043317 /nfs/dbraw/zinc/04/33/17/222043317.db2.gz RUAVRSPATDTBLB-GOSISDBHSA-N -1 0 394.427 3.656 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)c1 ZINC000064837336 222082957 /nfs/dbraw/zinc/08/29/57/222082957.db2.gz GVZJAPYHAKPDMB-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)cc1 ZINC000064919651 222087348 /nfs/dbraw/zinc/08/73/48/222087348.db2.gz ZLBXJZPNDSKOIC-UHFFFAOYSA-N -1 0 392.546 3.837 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)o2)c(Br)c1 ZINC000064958666 222089566 /nfs/dbraw/zinc/08/95/66/222089566.db2.gz SDMXGWCUWLKIAP-UHFFFAOYSA-N -1 0 383.223 3.806 50 0 GHAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000064979458 222092055 /nfs/dbraw/zinc/09/20/55/222092055.db2.gz DNVJWPFZGUOOSK-UHFFFAOYSA-N -1 0 386.429 3.662 50 0 GHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246419 222115056 /nfs/dbraw/zinc/11/50/56/222115056.db2.gz QIYHYYBQXVHNLE-UHFFFAOYSA-N -1 0 377.397 3.845 50 0 GHAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246367 222115112 /nfs/dbraw/zinc/11/51/12/222115112.db2.gz ZKXUXLKJEPVUJW-UHFFFAOYSA-N -1 0 383.788 3.800 50 0 GHAARM O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000065595609 222135593 /nfs/dbraw/zinc/13/55/93/222135593.db2.gz NOSIXYVQSAUYOI-CQSZACIVSA-N -1 0 393.390 3.635 50 0 GHAARM CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3C(=O)[O-])nc2)C1 ZINC000067983499 222172010 /nfs/dbraw/zinc/17/20/10/222172010.db2.gz FWBWTIOQXITNPS-KRWDZBQOSA-N -1 0 394.471 3.914 50 0 GHAARM O=C([O-])C1(CCc2ccccc2)CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000071745382 222186728 /nfs/dbraw/zinc/18/67/28/222186728.db2.gz QMKSEXGWGJHBSW-UHFFFAOYSA-N -1 0 377.444 3.503 50 0 GHAARM CC[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCC(=O)N1Cc1ccccc1 ZINC000071764365 222195812 /nfs/dbraw/zinc/19/58/12/222195812.db2.gz SAKNYZJBNVCTDJ-KRWDZBQOSA-N -1 0 386.879 3.699 50 0 GHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1cccnc1)SCC(=O)N2 ZINC000079489227 222307036 /nfs/dbraw/zinc/30/70/36/222307036.db2.gz MSHRYCHSCFELLI-QGZVFWFLSA-N -1 0 380.429 3.698 50 0 GHAARM CCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1OCCC ZINC000095945914 222362397 /nfs/dbraw/zinc/36/23/97/222362397.db2.gz OXDKTBHPZPBWJY-UHFFFAOYSA-N -1 0 393.461 3.763 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1-c1nnc(C2CC2)o1 ZINC000096379668 222416403 /nfs/dbraw/zinc/41/64/03/222416403.db2.gz HKCAYQWAMLKIPJ-UHFFFAOYSA-N -1 0 390.440 3.807 50 0 GHAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000047992028 570216694 /nfs/dbraw/zinc/21/66/94/570216694.db2.gz ZFXQZEYLVKCKRD-UHFFFAOYSA-N -1 0 383.260 3.590 50 0 GHAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000019881456 570227728 /nfs/dbraw/zinc/22/77/28/570227728.db2.gz BKOQSHLRRBEBTM-LLVKDONJSA-N -1 0 397.239 3.511 50 0 GHAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000020616491 570272587 /nfs/dbraw/zinc/27/25/87/570272587.db2.gz WRTLXIGPBISHTD-UHFFFAOYSA-N -1 0 378.413 3.647 50 0 GHAARM CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C(=O)[O-])c1 ZINC000002190124 570278102 /nfs/dbraw/zinc/27/81/02/570278102.db2.gz PHVLDTUDZOUCPR-UHFFFAOYSA-N -1 0 394.427 3.552 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1C ZINC000035405195 570351760 /nfs/dbraw/zinc/35/17/60/570351760.db2.gz FQRYLJLYBBPSOX-UHFFFAOYSA-N -1 0 378.519 3.792 50 0 GHAARM O=C([O-])C[C@H]1SC(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)=NC1=O ZINC000004307632 570366864 /nfs/dbraw/zinc/36/68/64/570366864.db2.gz OYVSGKHNFDDUPF-GFCCVEGCSA-N -1 0 396.346 3.756 50 0 GHAARM Cc1nn(COc2cccc(F)c2)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000032501699 570392433 /nfs/dbraw/zinc/39/24/33/570392433.db2.gz JHWVMUZPPFMKCZ-UHFFFAOYSA-N -1 0 393.415 3.615 50 0 GHAARM Cc1ccc(-c2nc(C(=O)N(CCC(=O)[O-])C3CCOCC3)cs2)c(C)c1 ZINC000237745230 570393368 /nfs/dbraw/zinc/39/33/68/570393368.db2.gz YKEMHZKPBJXPLL-UHFFFAOYSA-N -1 0 388.489 3.523 50 0 GHAARM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c3ccccc31)OCO2 ZINC000004751779 570402684 /nfs/dbraw/zinc/40/26/84/570402684.db2.gz AELOUTHDYPUMCQ-UHFFFAOYSA-N -1 0 387.388 3.711 50 0 GHAARM O=C([O-])C1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000238022527 570420180 /nfs/dbraw/zinc/42/01/80/570420180.db2.gz NNLZKHQNSOOKOD-UHFFFAOYSA-N -1 0 386.395 3.571 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000238060593 570422626 /nfs/dbraw/zinc/42/26/26/570422626.db2.gz NUHZQYDQDQHLHK-UHFFFAOYSA-N -1 0 376.456 3.746 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000238067772 570423120 /nfs/dbraw/zinc/42/31/20/570423120.db2.gz VFVLPWUOCKBMEW-IRXDYDNUSA-N -1 0 385.410 3.713 50 0 GHAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccs1 ZINC000005144803 570426363 /nfs/dbraw/zinc/42/63/63/570426363.db2.gz KIIIUFNXKWWABC-UHFFFAOYSA-N -1 0 386.502 3.606 50 0 GHAARM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)Cc3ccccc3)o2)cc1Cl ZINC000252597032 570454001 /nfs/dbraw/zinc/45/40/01/570454001.db2.gz COBBABPVHYMWCQ-UHFFFAOYSA-N -1 0 382.803 3.991 50 0 GHAARM COC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1 ZINC000079014426 570469724 /nfs/dbraw/zinc/46/97/24/570469724.db2.gz JQDBLLRKDMTNEJ-UHFFFAOYSA-N -1 0 384.613 3.847 50 0 GHAARM O=C([O-])CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCOCC1 ZINC000400458641 570476411 /nfs/dbraw/zinc/47/64/11/570476411.db2.gz QVDGSAJWCMALQG-UHFFFAOYSA-N -1 0 395.455 3.797 50 0 GHAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000007057093 570500572 /nfs/dbraw/zinc/50/05/72/570500572.db2.gz ONJJQOVZPKLIGA-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000032601617 570512184 /nfs/dbraw/zinc/51/21/84/570512184.db2.gz MDPQACJIWFLDOI-UHFFFAOYSA-N -1 0 384.251 3.565 50 0 GHAARM Cc1nn(C)cc1[N-]c1nnc(Cn2nc(C(F)(F)F)c(Cl)c2C)s1 ZINC000002796764 570518987 /nfs/dbraw/zinc/51/89/87/570518987.db2.gz SSHCBYIWVMNTHW-UHFFFAOYSA-N -1 0 391.810 3.549 50 0 GHAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000002838256 570533145 /nfs/dbraw/zinc/53/31/45/570533145.db2.gz RDAAAODXZHZNMQ-QZTJIDSGSA-N -1 0 378.428 3.853 50 0 GHAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)COc1ccc(Cl)cc1 ZINC000238142699 570679266 /nfs/dbraw/zinc/67/92/66/570679266.db2.gz QWTMSHNWFDSMMD-UHFFFAOYSA-N -1 0 383.778 3.501 50 0 GHAARM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl ZINC000006923279 570706971 /nfs/dbraw/zinc/70/69/71/570706971.db2.gz QWRRIMRJEWCHDB-UHFFFAOYSA-N -1 0 387.288 3.631 50 0 GHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1 ZINC000004649190 570728625 /nfs/dbraw/zinc/72/86/25/570728625.db2.gz BJAZYHQQSSMFGI-UHFFFAOYSA-N -1 0 384.613 3.818 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000005882219 570801153 /nfs/dbraw/zinc/80/11/53/570801153.db2.gz QLFGNZRFLMFTDF-UHFFFAOYSA-N -1 0 394.496 3.768 50 0 in-vivo GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1C ZINC000101301735 570818706 /nfs/dbraw/zinc/81/87/06/570818706.db2.gz MQMIFEMCDZIXCK-UHFFFAOYSA-N -1 0 385.423 3.960 50 0 GHAARM CCOc1cccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(CC)c3=O)n2)c1 ZINC000101725076 570829962 /nfs/dbraw/zinc/82/99/62/570829962.db2.gz BZOARGSSGKWDHU-UHFFFAOYSA-N -1 0 395.390 3.982 50 0 GHAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)c1 ZINC000101723549 570830210 /nfs/dbraw/zinc/83/02/10/570830210.db2.gz AAHVJIUMDLMUEG-UHFFFAOYSA-N -1 0 385.423 3.906 50 0 GHAARM O=C(Nc1ccccc1F)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722848 570830310 /nfs/dbraw/zinc/83/03/10/570830310.db2.gz WDMBMWVGEQGYEV-UHFFFAOYSA-N -1 0 389.386 3.542 50 0 GHAARM Cn1c(=O)c(-c2nc(-c3cccc(Br)c3)no2)c([O-])c2ccccc21 ZINC000101725607 570831638 /nfs/dbraw/zinc/83/16/38/570831638.db2.gz WFLDJSOJXJWYBR-UHFFFAOYSA-N -1 0 398.216 3.724 50 0 GHAARM CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(C[NH+]2CCCCCC2)cc3=O)cc1 ZINC000101747790 570832201 /nfs/dbraw/zinc/83/22/01/570832201.db2.gz OTUWBVKTYHBDQH-UHFFFAOYSA-N -1 0 379.508 3.758 50 0 GHAARM C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000042046483 570833683 /nfs/dbraw/zinc/83/36/83/570833683.db2.gz TZIUUUKQLBUQNI-CMPLNLGQSA-N -1 0 382.844 3.874 50 0 GHAARM CCc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(C)cc1)c2=O ZINC000101803021 570835440 /nfs/dbraw/zinc/83/54/40/570835440.db2.gz FWJUUPCHNKGVBT-UHFFFAOYSA-N -1 0 387.487 3.800 50 0 GHAARM Cn1c(=O)c2ccc(C(=O)N[C@@H](c3ccc(Cl)cc3)C3CC3)cc2[n-]c1=S ZINC000102180261 570842482 /nfs/dbraw/zinc/84/24/82/570842482.db2.gz HALXJZFLQAEMJE-QGZVFWFLSA-N -1 0 399.903 3.757 50 0 GHAARM Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000012546603 570847836 /nfs/dbraw/zinc/84/78/36/570847836.db2.gz JHTSEGLNTSUFIQ-UHFFFAOYSA-N -1 0 381.457 3.918 50 0 GHAARM Cc1c(C(=O)N(CC(=O)[O-])Cc2ccccc2)cnn1-c1cc(C)ccc1C ZINC000170592052 570849826 /nfs/dbraw/zinc/84/98/26/570849826.db2.gz JGJIIFCDGLAKHR-UHFFFAOYSA-N -1 0 377.444 3.525 50 0 GHAARM COCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1C ZINC000170596546 570854762 /nfs/dbraw/zinc/85/47/62/570854762.db2.gz FWPHEXQGOHZJHX-UHFFFAOYSA-N -1 0 377.491 3.633 50 0 GHAARM Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000032873875 570871298 /nfs/dbraw/zinc/87/12/98/570871298.db2.gz SPVPVUMQLLKYNC-UHFFFAOYSA-N -1 0 399.472 3.765 50 0 GHAARM CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccccc3C(=O)[O-])n2)cc1 ZINC000071287117 570888905 /nfs/dbraw/zinc/88/89/05/570888905.db2.gz NWMRYADRURNEOY-UHFFFAOYSA-N -1 0 395.440 3.648 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)s1 ZINC000237993541 570945339 /nfs/dbraw/zinc/94/53/39/570945339.db2.gz GWQNNIAUDUILCA-MRXNPFEDSA-N -1 0 379.865 3.686 50 0 GHAARM COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000083953004 570982761 /nfs/dbraw/zinc/98/27/61/570982761.db2.gz ZZWHIQKGJUKLMK-UHFFFAOYSA-N -1 0 397.452 3.789 50 0 GHAARM COc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cc1F ZINC000083957111 570983274 /nfs/dbraw/zinc/98/32/74/570983274.db2.gz MHPNFZDZANBHGF-UHFFFAOYSA-N -1 0 395.312 3.997 50 0 GHAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139306847 571049041 /nfs/dbraw/zinc/04/90/41/571049041.db2.gz JPJDIEZTYNTUBF-NHCUHLMSSA-N -1 0 392.455 3.673 50 0 GHAARM COc1ccc(F)c(F)c1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095371182 571061203 /nfs/dbraw/zinc/06/12/03/571061203.db2.gz RZDAQVDATLWIIQ-AWEZNQCLSA-N -1 0 375.371 3.691 50 0 GHAARM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000190644694 600414403 /nfs/dbraw/zinc/41/44/03/600414403.db2.gz JHQSZGREZGWVJS-INIZCTEOSA-N -1 0 392.459 3.730 50 0 GHAARM CCOc1ccc(NC(=S)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000254384625 842855738 /nfs/dbraw/zinc/85/57/38/842855738.db2.gz UXXUCFJSRWWNLD-UHFFFAOYSA-N -1 0 394.840 3.673 50 0 GHAARM O=C(C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)N1CCCCC1 ZINC000002971026 862075654 /nfs/dbraw/zinc/07/56/54/862075654.db2.gz LLUCSRYXTNEAND-UHFFFAOYSA-N -1 0 385.533 3.878 50 0 GHAARM [O-]c1c([C@H](c2cc(F)c(F)c(F)c2)N2CCCCCC2)sc2ncnn12 ZINC000253413873 856979976 /nfs/dbraw/zinc/97/99/76/856979976.db2.gz VXASXDXGUXVIBC-AWEZNQCLSA-N -1 0 382.411 3.879 50 0 GHAARM O=S(=O)([N-]c1cc(CC2CCCCC2)[nH]n1)c1ccccc1Cn1ccnc1 ZINC000095466429 860593770 /nfs/dbraw/zinc/59/37/70/860593770.db2.gz ZPOQSBRRJBFXEB-UHFFFAOYSA-N -1 0 399.520 3.578 50 0 GHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)o1 ZINC000096379559 860907325 /nfs/dbraw/zinc/90/73/25/860907325.db2.gz DJMNZXJMUGUMAN-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3cccc(Cl)c3)c2=O)sc1C ZINC000021802350 860943502 /nfs/dbraw/zinc/94/35/02/860943502.db2.gz BYWMDFARGQXBHM-UHFFFAOYSA-N -1 0 376.869 3.794 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)N3CCCc4cc(OC(F)F)ccc43)cc2=O)cc1 ZINC000174234154 865598915 /nfs/dbraw/zinc/59/89/15/865598915.db2.gz JRMGTHIZAMZWAJ-UHFFFAOYSA-N -1 0 399.397 3.668 50 0 GHAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000035479754 866707660 /nfs/dbraw/zinc/70/76/60/866707660.db2.gz WMPCJNXVNRDNMD-UHFFFAOYSA-N -1 0 396.881 3.833 50 0 GHAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(F)cc2)CC(=O)N3)c1 ZINC000066087442 878047901 /nfs/dbraw/zinc/04/79/01/878047901.db2.gz HBJHHYRKGDDQLI-MRXNPFEDSA-N -1 0 380.375 3.797 50 0 GHAARM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)s1 ZINC000630245601 902938557 /nfs/dbraw/zinc/93/85/57/902938557.db2.gz LIVNZQQNMKUYIJ-RYUDHWBXSA-N -1 0 390.427 3.916 50 0 GHAARM C[C@@H](c1cccs1)n1[nH]ccc1=NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000254763436 916985903 /nfs/dbraw/zinc/98/59/03/916985903.db2.gz MEGFSEWXGCARRF-AWEZNQCLSA-N -1 0 375.494 3.730 50 0 GHAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000237969837 231037732 /nfs/dbraw/zinc/03/77/32/231037732.db2.gz DVBWGXHAKKHCMD-XIRDDKMYSA-N -1 0 386.423 3.658 50 0 GHAARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1 ZINC000001255235 212231954 /nfs/dbraw/zinc/23/19/54/212231954.db2.gz GAGKMKXHFZVMHV-SXGWCWSVSA-N -1 0 399.449 3.562 50 0 GHAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000000870317 212190957 /nfs/dbraw/zinc/19/09/57/212190957.db2.gz OIKNEIDFVBESEC-UHFFFAOYSA-N -1 0 397.460 3.538 50 0 GHAARM COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1OC ZINC000000704094 212175513 /nfs/dbraw/zinc/17/55/13/212175513.db2.gz BSIRTWIPKKFSKD-CSKARUKUSA-N -1 0 387.457 3.994 50 0 GHAARM COc1ccc(-c2c(C)oc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)cc1OC ZINC000004046824 212146412 /nfs/dbraw/zinc/14/64/12/212146412.db2.gz NKWCMWFBICKMQI-LBPRGKRZSA-N -1 0 384.384 3.638 50 0 biogenic GHAARM O=S(=O)([N-]c1noc(-c2ccccc2F)n1)c1ccccc1C(F)(F)F ZINC000328594209 212082431 /nfs/dbraw/zinc/08/24/31/212082431.db2.gz ZAJPQNLSEDVVKA-UHFFFAOYSA-N -1 0 387.314 3.695 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000004110375 220683008 /nfs/dbraw/zinc/68/30/08/220683008.db2.gz AGTHHICYHLVQNC-UHFFFAOYSA-N -1 0 393.774 3.573 50 0 GHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004174376 220690278 /nfs/dbraw/zinc/69/02/78/220690278.db2.gz AJOWESKTXGCGOZ-UPJWGTAASA-N -1 0 392.521 3.582 50 0 GHAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)Cc2cccs2)cc1 ZINC000004672628 220744518 /nfs/dbraw/zinc/74/45/18/220744518.db2.gz UCQRBXOTITWSHA-UHFFFAOYSA-N -1 0 380.425 3.880 50 0 GHAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000004679812 220745384 /nfs/dbraw/zinc/74/53/84/220745384.db2.gz KBZDKXXTCQFHLT-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000005634955 220888849 /nfs/dbraw/zinc/88/88/49/220888849.db2.gz MRWFSYNBVYWNMS-OLZOCXBDSA-N -1 0 395.868 3.600 50 0 GHAARM Cc1ccc(C2=Nn3c(Cc4ccc(F)cc4)nnc3S[C@H]2CC(=O)[O-])cc1 ZINC000008391874 221039524 /nfs/dbraw/zinc/03/95/24/221039524.db2.gz IEHXCRJMJUVNBZ-INIZCTEOSA-N -1 0 396.447 3.518 50 0 GHAARM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000009329380 221078485 /nfs/dbraw/zinc/07/84/85/221078485.db2.gz AZLYXVZZBAUHND-WQRHYEAKSA-N -1 0 397.456 3.919 50 0 GHAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000009550311 221085620 /nfs/dbraw/zinc/08/56/20/221085620.db2.gz FIROUCYKLGHZJX-GOSISDBHSA-N -1 0 389.411 3.557 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccccc2)n(-c2cc(C)c3ccccc3n2)n1 ZINC000012251409 221173135 /nfs/dbraw/zinc/17/31/35/221173135.db2.gz YIDNJWOGZVMHSY-UHFFFAOYSA-N -1 0 378.457 3.838 50 0 GHAARM CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)c1C ZINC000012395334 221188422 /nfs/dbraw/zinc/18/84/22/221188422.db2.gz CJIIHNCULPQRAA-UHFFFAOYSA-N -1 0 375.379 3.523 50 0 GHAARM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1N1CCCC1=O ZINC000012981561 221252189 /nfs/dbraw/zinc/25/21/89/221252189.db2.gz ZZRJAJDOGJUHRQ-UHFFFAOYSA-N -1 0 388.464 3.576 50 0 GHAARM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012992839 221253843 /nfs/dbraw/zinc/25/38/43/221253843.db2.gz UQDNKGYUGXDRCS-YRNVUSSQSA-N -1 0 376.416 3.543 50 0 GHAARM O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000013078339 221260066 /nfs/dbraw/zinc/26/00/66/221260066.db2.gz ABUDAGWUSKANMQ-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000017079370 221377326 /nfs/dbraw/zinc/37/73/26/221377326.db2.gz APIHKXMELONJCZ-UHFFFAOYSA-N -1 0 388.518 3.625 50 0 GHAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2 ZINC000017078894 221377413 /nfs/dbraw/zinc/37/74/13/221377413.db2.gz VOZHBGMSTGDWLY-UHFFFAOYSA-N -1 0 386.473 3.991 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017081492 221378887 /nfs/dbraw/zinc/37/88/87/221378887.db2.gz QIFFDJXSMDUZDZ-GJZGRUSLSA-N -1 0 398.484 3.736 50 0 GHAARM O=C([O-])[C@@H]1CCCN(c2ccc(Sc3ccc(Br)cc3)nn2)C1 ZINC000033268131 221781281 /nfs/dbraw/zinc/78/12/81/221781281.db2.gz PWEPZQIRRKDJDC-LLVKDONJSA-N -1 0 394.294 3.691 50 0 GHAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000034927210 221811867 /nfs/dbraw/zinc/81/18/67/221811867.db2.gz JTYKIULHDSANTO-UHFFFAOYSA-N -1 0 389.820 3.721 50 0 GHAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)[N-]c4cccnc4)c3)o2)cc1 ZINC000064987991 222093725 /nfs/dbraw/zinc/09/37/25/222093725.db2.gz ZIEOCXDFTDLPIJ-UHFFFAOYSA-N -1 0 392.440 3.908 50 0 GHAARM CCc1cccc(NC(=O)c2c([O-])c3cnn(-c4ccc(C)cc4)c3[nH]c2=O)c1 ZINC000065249971 222116786 /nfs/dbraw/zinc/11/67/86/222116786.db2.gz MUPHIKHXKKMFSY-UHFFFAOYSA-N -1 0 388.427 3.543 50 0 GHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2)c1 ZINC000101298375 222470759 /nfs/dbraw/zinc/47/07/59/222470759.db2.gz IHJSUKYECZRHSA-SFHVURJKSA-N -1 0 392.390 3.566 50 0 GHAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000237996976 534494727 /nfs/dbraw/zinc/49/47/27/534494727.db2.gz VGDXRUXGJROKTG-OAHLLOKOSA-N -1 0 376.453 3.733 50 0 GHAARM O=c1c(Oc2ccc(I)cc2)coc2cc([O-])cc(O)c12 ZINC000006096765 570242721 /nfs/dbraw/zinc/24/27/21/570242721.db2.gz VPDWPXWRFNHQSY-UHFFFAOYSA-N -1 0 396.136 3.601 50 0 biogenic GHAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 ZINC000020615275 570272456 /nfs/dbraw/zinc/27/24/56/570272456.db2.gz PLCAPQABIDYBJR-UHFFFAOYSA-N -1 0 383.358 3.765 50 0 GHAARM CCn1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000100469630 570272512 /nfs/dbraw/zinc/27/25/12/570272512.db2.gz VUDINWRIYRBQMW-UHFFFAOYSA-N -1 0 387.233 3.742 50 0 GHAARM Cc1ccccc1CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000627403 570277982 /nfs/dbraw/zinc/27/79/82/570277982.db2.gz VBVBDSPNHUJNFQ-ZWKOTPCHSA-N -1 0 392.455 3.531 50 0 GHAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1 ZINC000034763641 570333106 /nfs/dbraw/zinc/33/31/06/570333106.db2.gz UQJMGTBTQKCIAU-INIZCTEOSA-N -1 0 398.507 3.613 50 0 GHAARM Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2C(=O)[O-])c1C(N)=O ZINC000004309522 570367046 /nfs/dbraw/zinc/36/70/46/570367046.db2.gz RIZBLBUTPNBLLI-UHFFFAOYSA-N -1 0 394.452 3.697 50 0 GHAARM O=C([O-])c1nccnc1C(=O)NCc1c(Cl)cccc1Oc1ccccc1 ZINC000004324692 570368192 /nfs/dbraw/zinc/36/81/92/570368192.db2.gz YPNWAXJVIPNCPJ-UHFFFAOYSA-N -1 0 383.791 3.551 50 0 GHAARM Cc1sc2c(c1C)C([O-])=C(C(=O)Nc1cccc(Cl)c1)S(=O)(=O)N2C ZINC000004351117 570370430 /nfs/dbraw/zinc/37/04/30/570370430.db2.gz NYWNUOLVQQZVDM-UHFFFAOYSA-N -1 0 398.893 3.663 50 0 GHAARM Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)C2)n1 ZINC000237657534 570387193 /nfs/dbraw/zinc/38/71/93/570387193.db2.gz BXHZXVRRQGDRFE-OAHLLOKOSA-N -1 0 388.489 3.552 50 0 GHAARM Cc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cnn1-c1ccccc1Cl ZINC000237752992 570394009 /nfs/dbraw/zinc/39/40/09/570394009.db2.gz URLRFMHAJULQKR-CQSZACIVSA-N -1 0 375.856 3.551 50 0 GHAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c1 ZINC000024989598 570402328 /nfs/dbraw/zinc/40/23/28/570402328.db2.gz YAASXMBHCONZMB-UHFFFAOYSA-N -1 0 391.342 3.770 50 0 GHAARM O=S(=O)([N-]c1ccccn1)c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000025066923 570405468 /nfs/dbraw/zinc/40/54/68/570405468.db2.gz GLUGNODTNGTAMI-UHFFFAOYSA-N -1 0 377.878 3.504 50 0 GHAARM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000005099669 570416889 /nfs/dbraw/zinc/41/68/89/570416889.db2.gz SMBOIRKYPPWPAV-UHFFFAOYSA-N -1 0 394.443 3.701 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CCC3)s1 ZINC000005136483 570424654 /nfs/dbraw/zinc/42/46/54/570424654.db2.gz BSBKCWVGYLMOLA-UHFFFAOYSA-N -1 0 390.530 3.801 50 0 GHAARM COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000128523372 570461467 /nfs/dbraw/zinc/46/14/67/570461467.db2.gz LDSQLTFVIHBJAJ-ZDUSSCGKSA-N -1 0 375.371 3.577 50 0 GHAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc(Br)c1)CC3 ZINC000006599774 570489752 /nfs/dbraw/zinc/48/97/52/570489752.db2.gz IKVVUSDKFUVXOI-XYOKQWHBSA-N -1 0 397.228 3.802 50 0 GHAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(OC)nn3)cc2)s1 ZINC000005204252 570506128 /nfs/dbraw/zinc/50/61/28/570506128.db2.gz QUVDHULGZAIQKF-UHFFFAOYSA-N -1 0 375.475 3.577 50 0 GHAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2)n(-c2ccc(C)cc2)c1=O ZINC000008575349 570534783 /nfs/dbraw/zinc/53/47/83/570534783.db2.gz TYCOREVKIKMPLK-UHFFFAOYSA-N -1 0 395.484 3.540 50 0 GHAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccccc1Br ZINC000001226889 570535899 /nfs/dbraw/zinc/53/58/99/570535899.db2.gz OCMXWDSXJPQIDP-UHFFFAOYSA-N -1 0 389.658 3.613 50 0 GHAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2cccnc2)cc1 ZINC000009009480 570546406 /nfs/dbraw/zinc/54/64/06/570546406.db2.gz PFGHSRCQERYJBN-NRFANRHFSA-N -1 0 396.406 3.920 50 0 GHAARM Cc1c2c(cc(=O)n1Cc1ccccc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000037867936 570576916 /nfs/dbraw/zinc/57/69/16/570576916.db2.gz OGCYDBPMFIEZMP-UHFFFAOYSA-N -1 0 388.452 3.811 50 0 GHAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccccc3Br)cnc21 ZINC000032098006 570642208 /nfs/dbraw/zinc/64/22/08/570642208.db2.gz RYDPZGCZDGBUIA-UHFFFAOYSA-N -1 0 395.282 3.576 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000005634962 570677561 /nfs/dbraw/zinc/67/75/61/570677561.db2.gz MRWFSYNBVYWNMS-CHWSQXEVSA-N -1 0 395.868 3.600 50 0 GHAARM CCCOc1cc(S(=O)(=O)[N-]c2ccccc2O)ccc1Br ZINC000012560759 570680475 /nfs/dbraw/zinc/68/04/75/570680475.db2.gz CCGIVFOWKYXOJW-UHFFFAOYSA-N -1 0 386.267 3.744 50 0 GHAARM Cc1c(NC(=S)NC(=O)c2cccc(Br)c2)cccc1C(=O)[O-] ZINC000001159854 570712789 /nfs/dbraw/zinc/71/27/89/570712789.db2.gz ADWIQBZRYXDVBS-UHFFFAOYSA-N -1 0 393.262 3.583 50 0 GHAARM O=C([O-])CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000000900534 570724227 /nfs/dbraw/zinc/72/42/27/570724227.db2.gz RCTDANZHWNOQIY-UHFFFAOYSA-N -1 0 388.880 3.769 50 0 GHAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000004826138 570730478 /nfs/dbraw/zinc/73/04/78/570730478.db2.gz FERZXNOBRKDQGG-SNVBAGLBSA-N -1 0 384.215 3.863 50 0 GHAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000005925727 570804626 /nfs/dbraw/zinc/80/46/26/570804626.db2.gz KUIMWUDHBVMMCG-UHFFFAOYSA-N -1 0 379.894 3.724 50 0 GHAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000101300395 570818786 /nfs/dbraw/zinc/81/87/86/570818786.db2.gz AGVVSZKAFSHSQX-FLVLSHQESA-N -1 0 386.411 3.784 50 0 GHAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(Cc3ccccc3)c2=O)cc1 ZINC000101722927 570830250 /nfs/dbraw/zinc/83/02/50/570830250.db2.gz OQZSVELQOSNFFZ-UHFFFAOYSA-N -1 0 385.423 3.711 50 0 GHAARM Cn1c(=O)c(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c2ccccc21 ZINC000101725603 570831842 /nfs/dbraw/zinc/83/18/42/570831842.db2.gz GRSUYNGVVLKHTF-UHFFFAOYSA-N -1 0 398.216 3.724 50 0 GHAARM Cc1c2ccc(Br)cc2oc1C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000526052231 570845686 /nfs/dbraw/zinc/84/56/86/570845686.db2.gz GYPOKDWVUKWCAN-UHFFFAOYSA-N -1 0 378.251 3.907 50 0 GHAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F ZINC000098208077 570859401 /nfs/dbraw/zinc/85/94/01/570859401.db2.gz JGPXDNKSIXAZEQ-SBBZOCNPSA-N -1 0 399.401 3.599 50 0 in-vitro GHAARM Cc1ccccc1-n1nnnc1C1(N(N=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC000004729293 570884077 /nfs/dbraw/zinc/88/40/77/570884077.db2.gz WQKCWHGRIDEYOA-UHFFFAOYSA-N -1 0 392.419 3.626 50 0 GHAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)Cc2c[nH]c3cc(Cl)ccc23)c(C)c1 ZINC000252507648 570978269 /nfs/dbraw/zinc/97/82/69/570978269.db2.gz WQPCMQUPCZZBDW-UHFFFAOYSA-N -1 0 390.892 3.627 50 0 GHAARM Cc1c2cc3c(cc2nc(-c2ccc4c(c2)OCCCO4)c1CC(=O)[O-])OCO3 ZINC000019413914 570983304 /nfs/dbraw/zinc/98/33/04/570983304.db2.gz RSACMECDPKMRTC-UHFFFAOYSA-N -1 0 393.395 3.727 50 0 GHAARM COCc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2[nH]1 ZINC000044920296 570983430 /nfs/dbraw/zinc/98/34/30/570983430.db2.gz TWBFQEJCKRKPDS-UHFFFAOYSA-N -1 0 386.260 3.817 50 0 GHAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139306612 571048950 /nfs/dbraw/zinc/04/89/50/571048950.db2.gz JPJDIEZTYNTUBF-LEWJYISDSA-N -1 0 392.455 3.673 50 0 GHAARM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)c2c1 ZINC000190804023 601564118 /nfs/dbraw/zinc/56/41/18/601564118.db2.gz FEIWKQWHJDTRFR-QGZVFWFLSA-N -1 0 396.487 3.825 50 0 GHAARM O=c1cc(-c2ccc(F)cc2)c2c([nH]1)Oc1c(=O)[n-]c(-c3ccccc3)nc1O2 ZINC000004809931 842480982 /nfs/dbraw/zinc/48/09/82/842480982.db2.gz ZIMWPOSEHVVPAC-UHFFFAOYSA-N -1 0 389.342 3.829 50 0 GHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 ZINC000005013813 843335848 /nfs/dbraw/zinc/33/58/48/843335848.db2.gz XPILEFALUNYFDR-HUUCEWRRSA-N -1 0 392.883 3.796 50 0 GHAARM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2O)ccc1F ZINC000253426255 855102779 /nfs/dbraw/zinc/10/27/79/855102779.db2.gz GGKIVHDJCYEQFG-UHFFFAOYSA-N -1 0 393.223 3.597 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 ZINC000009014098 856704843 /nfs/dbraw/zinc/70/48/43/856704843.db2.gz LXLPHHXCZXLTSS-UHFFFAOYSA-N -1 0 396.472 3.722 50 0 GHAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009111417 856802441 /nfs/dbraw/zinc/80/24/41/856802441.db2.gz CUJGEOYKNHAQSD-VHEBQXMUSA-N -1 0 381.476 3.662 50 0 GHAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000004317353 862957396 /nfs/dbraw/zinc/95/73/96/862957396.db2.gz JHEQKMVSMOQURO-UHFFFAOYSA-N -1 0 394.500 3.824 50 0 GHAARM O=S(=O)([N-]c1cnn(C[C@@H]2CCCCO2)c1)c1cc(Cl)ccc1Cl ZINC000390829235 860504868 /nfs/dbraw/zinc/50/48/68/860504868.db2.gz XQADCZCQCNEAPO-ZDUSSCGKSA-N -1 0 390.292 3.560 50 0 GHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2C)o1 ZINC000096379442 860906918 /nfs/dbraw/zinc/90/69/18/860906918.db2.gz RCJTXQPBEFLWAX-UHFFFAOYSA-N -1 0 398.847 3.837 50 0 GHAARM CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cccc(SC)c3)c2C)o1 ZINC000096379437 860907405 /nfs/dbraw/zinc/90/74/05/860907405.db2.gz BMHYXLSKDWATGD-UHFFFAOYSA-N -1 0 392.506 3.767 50 0 GHAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc21 ZINC000184020277 863902226 /nfs/dbraw/zinc/90/22/26/863902226.db2.gz HEXMTZAPOBWCKX-UHFFFAOYSA-N -1 0 378.881 3.748 50 0 GHAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1Cl ZINC000037641995 882661248 /nfs/dbraw/zinc/66/12/48/882661248.db2.gz RVSRSRMULRYWLL-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM O=C(N=c1[n-]nc(Cc2ccc(C(F)(F)F)cc2)s1)N1CC(CC2CC2)C1 ZINC000621474920 884366827 /nfs/dbraw/zinc/36/68/27/884366827.db2.gz VPMNBWWBYIPZAE-UHFFFAOYSA-N -1 0 396.438 3.833 50 0 GHAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621586452 885300876 /nfs/dbraw/zinc/30/08/76/885300876.db2.gz BGBIUIMAHCGDAN-LSDHHAIUSA-N -1 0 378.350 3.839 50 0 GHAARM O=C([O-])/C(=C\c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003370101 901146537 /nfs/dbraw/zinc/14/65/37/901146537.db2.gz RECPHKWEEKRATO-QINSGFPZSA-N -1 0 395.477 3.687 50 0 GHAARM Cc1cc(/C=C/c2nc(C(=O)[O-])c(Br)s2)ccc1-n1cncn1 ZINC000253426554 915996167 /nfs/dbraw/zinc/99/61/67/915996167.db2.gz XNSOGRFKVUJUPS-HWKANZROSA-N -1 0 391.250 3.663 50 0 GHAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)Cc3cc(F)c(F)c(F)c3)C2)c1 ZINC000095360752 230976986 /nfs/dbraw/zinc/97/69/86/230976986.db2.gz KGWHIUCMQLYDAR-HNNXBMFYSA-N -1 0 377.362 3.751 50 0 GHAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2CC2)c(C)cc1Cl ZINC000001042614 212210156 /nfs/dbraw/zinc/21/01/56/212210156.db2.gz GIZZQIGENRTOQM-UHFFFAOYSA-N -1 0 392.908 3.897 50 0 GHAARM Cc1ccccc1OCc1nnc(SCCC(=O)[O-])n1Cc1ccccc1 ZINC000001025675 212206061 /nfs/dbraw/zinc/20/60/61/212206061.db2.gz HRGUFWZUMGKFIH-UHFFFAOYSA-N -1 0 383.473 3.781 50 0 GHAARM O=C([O-])CCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000000986120 212201792 /nfs/dbraw/zinc/20/17/92/212201792.db2.gz ZWRKSHKDWBECBP-UHFFFAOYSA-N -1 0 391.221 3.505 50 0 GHAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F ZINC000000807765 212183990 /nfs/dbraw/zinc/18/39/90/212183990.db2.gz WUSNVOXWCRLSLK-CRAIPNDOSA-N -1 0 377.437 3.592 50 0 GHAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000000729557 212178571 /nfs/dbraw/zinc/17/85/71/212178571.db2.gz PZWGTZHCYVYLRW-DOTOQJQBSA-N -1 0 379.840 3.749 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000000628275 212166078 /nfs/dbraw/zinc/16/60/78/212166078.db2.gz PJEVGGOOCSFNFB-UHFFFAOYSA-N -1 0 392.260 3.820 50 0 GHAARM CCOC(=O)/C(=C\c1ccc(C(=O)[O-])cc1)c1nccn1Cc1ccccc1 ZINC000096256139 212152901 /nfs/dbraw/zinc/15/29/01/212152901.db2.gz JBQSQIXGDAWKTD-RGEXLXHISA-N -1 0 376.412 3.733 50 0 GHAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000008961192 221065193 /nfs/dbraw/zinc/06/51/93/221065193.db2.gz NUFKVTOTPHKPTF-UHFFFAOYSA-N -1 0 384.388 3.985 50 0 GHAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000008738160 221053998 /nfs/dbraw/zinc/05/39/98/221053998.db2.gz MBZXSYCFSXPYGM-WMZOPIPTSA-N -1 0 381.432 3.525 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1C(=O)N1CCCCC1 ZINC000009684543 221089103 /nfs/dbraw/zinc/08/91/03/221089103.db2.gz DDTVMGXPRLTIAJ-UHFFFAOYSA-N -1 0 393.484 3.506 50 0 GHAARM C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012000871 221142446 /nfs/dbraw/zinc/14/24/46/221142446.db2.gz WZWFPVMTPRUWBX-ZDUSSCGKSA-N -1 0 379.441 3.961 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000012748242 221223929 /nfs/dbraw/zinc/22/39/29/221223929.db2.gz KHPCEXWKBWCASI-UHFFFAOYSA-N -1 0 398.509 3.747 50 0 GHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccccc1Cl ZINC000012817902 221236304 /nfs/dbraw/zinc/23/63/04/221236304.db2.gz RCLYWGUHVWNBBC-UHFFFAOYSA-N -1 0 387.842 3.516 50 0 GHAARM Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000012981442 221252370 /nfs/dbraw/zinc/25/23/70/221252370.db2.gz OXRWTHLUEPPFQW-UHFFFAOYSA-N -1 0 391.779 3.749 50 0 GHAARM CSCC[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000012985883 221253020 /nfs/dbraw/zinc/25/30/20/221253020.db2.gz ITSPMXNOBKYVNG-DLBZAZTESA-N -1 0 375.515 3.843 50 0 GHAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000013348695 221265807 /nfs/dbraw/zinc/26/58/07/221265807.db2.gz KXYNEEDJKYUWJF-UHFFFAOYSA-N -1 0 376.463 3.620 50 0 GHAARM CCCCCCc1c(C)c2cc(Cl)c(OCc3nnn[n-]3)cc2oc1=O ZINC000013804354 221289191 /nfs/dbraw/zinc/28/91/91/221289191.db2.gz JSMUDRHEPVSLLT-UHFFFAOYSA-N -1 0 376.844 3.970 50 0 GHAARM CC(=O)c1cc(C(=O)c2ccccc2[O-])cn(-c2cccc(Cl)c2C)c1=O ZINC000014161793 221300986 /nfs/dbraw/zinc/30/09/86/221300986.db2.gz VUCVIDDQEDBRRR-UHFFFAOYSA-N -1 0 381.815 3.939 50 0 GHAARM CC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000015858794 221348706 /nfs/dbraw/zinc/34/87/06/221348706.db2.gz HOWKJHCCUVEEAQ-UHFFFAOYSA-N -1 0 398.488 3.734 50 0 GHAARM N=C1S/C(=C\c2ccc(OCC(=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000016400237 221362400 /nfs/dbraw/zinc/36/24/00/221362400.db2.gz ZFPZIBQQRMRFON-YMMLTTEXSA-N -1 0 388.832 3.859 50 0 GHAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690157 221368901 /nfs/dbraw/zinc/36/89/01/221368901.db2.gz DNIVMLGDZJVAFY-VBQJREDUSA-N -1 0 386.521 3.566 50 0 GHAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2cccc3ccccc32)N=C1[O-] ZINC000017086369 221379661 /nfs/dbraw/zinc/37/96/61/221379661.db2.gz WUXFZVGQPXQEBS-GFCCVEGCSA-N -1 0 383.473 3.873 50 0 GHAARM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccc(Cl)cc1Cl ZINC000017043690 221375667 /nfs/dbraw/zinc/37/56/67/221375667.db2.gz PVGCVGSRDGFSGP-UHFFFAOYSA-N -1 0 398.193 3.826 50 0 GHAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C ZINC000065009057 222095174 /nfs/dbraw/zinc/09/51/74/222095174.db2.gz GEAYDNGTJJYBLM-UHFFFAOYSA-N -1 0 391.518 3.883 50 0 GHAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)NCCCc4ccccc4)c([O-])c23)C1 ZINC000065150397 222103526 /nfs/dbraw/zinc/10/35/26/222103526.db2.gz XUJLDKGLMHUPDO-ZDUSSCGKSA-N -1 0 396.512 3.783 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1Cl ZINC000058297967 222049579 /nfs/dbraw/zinc/04/95/79/222049579.db2.gz XJXVTUWFBQRDJC-UHFFFAOYSA-N -1 0 378.262 3.512 50 0 GHAARM COc1ccccc1[C@H]1CC(=O)Nc2c(C(=O)[O-])cn(-c3cc(F)cc(F)c3)c21 ZINC000061719063 222061822 /nfs/dbraw/zinc/06/18/22/222061822.db2.gz RYCNCLSWTYQXTG-OAHLLOKOSA-N -1 0 398.365 3.936 50 0 GHAARM COc1ccc(/C(=C/C(=O)[O-])c2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000061996979 222063910 /nfs/dbraw/zinc/06/39/10/222063910.db2.gz LZVIVIHUEWKDLV-VBKFSLOCSA-N -1 0 395.411 3.786 50 0 biogenic GHAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1-c1ccno1 ZINC000064845161 222084749 /nfs/dbraw/zinc/08/47/49/222084749.db2.gz ZEOWCTPBJFAPBJ-UHFFFAOYSA-N -1 0 378.431 3.549 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 ZINC000064845094 222085411 /nfs/dbraw/zinc/08/54/11/222085411.db2.gz MBBBFJDFVNTVBX-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](c1ccc(-c3ccccc3Cl)o1)CC(=O)N2 ZINC000065382907 222126070 /nfs/dbraw/zinc/12/60/70/222126070.db2.gz VCDGKZYBIILGDL-GFCCVEGCSA-N -1 0 385.807 3.664 50 0 GHAARM O=C([O-])CSc1nnc(Cc2c[nH]c3ccccc23)n1-c1ccccc1F ZINC000067673196 222153441 /nfs/dbraw/zinc/15/34/41/222153441.db2.gz ZDTRKAXRNKZLMR-UHFFFAOYSA-N -1 0 382.420 3.655 50 0 GHAARM COC(=O)c1[n-]c(=NC(=O)CCc2cn(C)c3ccccc23)sc1C(C)C ZINC000079477257 222305504 /nfs/dbraw/zinc/30/55/04/222305504.db2.gz WCBIIWDXPGNUOK-UHFFFAOYSA-N -1 0 385.489 3.538 50 0 GHAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000100543168 570273068 /nfs/dbraw/zinc/27/30/68/570273068.db2.gz JLCWOEFGDAUARI-UHFFFAOYSA-N -1 0 394.427 3.546 50 0 GHAARM CC(C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000020735617 570277808 /nfs/dbraw/zinc/27/78/08/570277808.db2.gz HTRZKLNCJXBQQG-AWEZNQCLSA-N -1 0 387.288 3.885 50 0 GHAARM O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020744599 570278818 /nfs/dbraw/zinc/27/88/18/570278818.db2.gz SUSKHZZWZRHDIT-HXUWFJFHSA-N -1 0 378.428 3.757 50 0 GHAARM O=C([O-])c1ccc(F)cc1OCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000575444441 570315186 /nfs/dbraw/zinc/31/51/86/570315186.db2.gz QJJLYKGLSDJQKB-UHFFFAOYSA-N -1 0 387.407 3.952 50 0 GHAARM O=S(=O)([N-]CCSCc1c(F)cccc1Cl)c1c(F)cccc1F ZINC000003078912 570327651 /nfs/dbraw/zinc/32/76/51/570327651.db2.gz LHXDGBCKJNYJIT-UHFFFAOYSA-N -1 0 395.855 3.969 50 0 GHAARM COc1ccccc1[C@@H](C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237185668 570330929 /nfs/dbraw/zinc/33/09/29/570330929.db2.gz FJCONKPMQRKZPZ-KRWDZBQOSA-N -1 0 381.472 3.834 50 0 GHAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1 ZINC000004173410 570360828 /nfs/dbraw/zinc/36/08/28/570360828.db2.gz YAJNXKXTKWEJPZ-GOSISDBHSA-N -1 0 386.835 3.891 50 0 GHAARM CC(C)(C)OC(=O)N1[C@@H](c2cccc(Br)c2)SC[C@@H]1C(=O)[O-] ZINC000000819049 570372125 /nfs/dbraw/zinc/37/21/25/570372125.db2.gz NTIKWEMNMJCFEY-VXGBXAGGSA-N -1 0 388.283 3.885 50 0 GHAARM O=C([O-])CCCCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O ZINC000006222167 570376306 /nfs/dbraw/zinc/37/63/06/570376306.db2.gz FBQVOCXQSPNLDH-UHFFFAOYSA-N -1 0 380.444 3.681 50 0 GHAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000238137459 570427143 /nfs/dbraw/zinc/42/71/43/570427143.db2.gz OPWRHSVATRRDGD-ZDUSSCGKSA-N -1 0 380.375 3.694 50 0 GHAARM Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4Cl)c3)nn12 ZINC000005150927 570428459 /nfs/dbraw/zinc/42/84/59/570428459.db2.gz RTSOJBUTJHIPTP-UHFFFAOYSA-N -1 0 399.863 3.554 50 0 GHAARM O=C(Nc1cccc2c[nH]nc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000029385448 570472576 /nfs/dbraw/zinc/47/25/76/570472576.db2.gz IPSXJRLUVJYIRT-UHFFFAOYSA-N -1 0 398.469 3.678 50 0 GHAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139306725 570493433 /nfs/dbraw/zinc/49/34/33/570493433.db2.gz JPJDIEZTYNTUBF-RTWAWAEBSA-N -1 0 392.455 3.673 50 0 GHAARM CC[C@H](C)NC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973723 570524041 /nfs/dbraw/zinc/52/40/41/570524041.db2.gz IHAKZRRVEJMIIV-JTQLQIEISA-N -1 0 398.326 3.516 50 0 GHAARM COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000001131065 570534819 /nfs/dbraw/zinc/53/48/19/570534819.db2.gz QVLXJLPOVGFCRS-MOPGFXCFSA-N -1 0 394.427 3.553 50 0 GHAARM CCOC(=O)NC([N-]c1nnc(SCC)s1)(C(F)(F)F)C(F)(F)F ZINC000002937617 570538837 /nfs/dbraw/zinc/53/88/37/570538837.db2.gz QISLSPUQBNAOLV-UHFFFAOYSA-N -1 0 398.354 3.629 50 0 GHAARM COc1cccc(-c2nc(C)c(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])s2)c1 ZINC000040309229 570565006 /nfs/dbraw/zinc/56/50/06/570565006.db2.gz LOQFCEXICLTIFK-KRWDZBQOSA-N -1 0 396.468 3.553 50 0 biogenic GHAARM O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCCC1)cn2Cc1ccccc1 ZINC000036366406 570645503 /nfs/dbraw/zinc/64/55/03/570645503.db2.gz RDAZLQNTOPAOCO-HXUWFJFHSA-N -1 0 378.428 3.609 50 0 GHAARM O=C([O-])[C@H](CC1CCOCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583457 570758039 /nfs/dbraw/zinc/75/80/39/570758039.db2.gz GHWBOWNFASFNHK-NRFANRHFSA-N -1 0 395.455 3.795 50 0 GHAARM CCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(C)cc1C ZINC000033254060 570861738 /nfs/dbraw/zinc/86/17/38/570861738.db2.gz ZIQHEIGZQQLOKC-UHFFFAOYSA-N -1 0 390.505 3.957 50 0 GHAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(SCc4ccccc4)nn32)cc1 ZINC000102829381 570866346 /nfs/dbraw/zinc/86/63/46/570866346.db2.gz SGJVNRFFNMJCNF-KRWDZBQOSA-N -1 0 394.456 3.562 50 0 GHAARM CCOC(=O)c1c(C)csc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000097117272 570897847 /nfs/dbraw/zinc/89/78/47/570897847.db2.gz ZXHVETXVHYHOHO-UHFFFAOYSA-N -1 0 399.538 3.503 50 0 GHAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cs1 ZINC000006681562 570938018 /nfs/dbraw/zinc/93/80/18/570938018.db2.gz VNKXFYGFEBQLBV-UHFFFAOYSA-N -1 0 388.470 3.701 50 0 GHAARM O=C([O-])c1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl ZINC000020144184 570941929 /nfs/dbraw/zinc/94/19/29/570941929.db2.gz ZHZONCCRHHCPIZ-UHFFFAOYSA-N -1 0 384.613 3.818 50 0 GHAARM O=C([O-])C[C@@H](c1ccc(OC2CCCC2)cc1)N1C(=O)c2ccccc2C1=O ZINC000004745759 570960431 /nfs/dbraw/zinc/96/04/31/570960431.db2.gz DVLCDOBNADJOKY-IBGZPJMESA-N -1 0 379.412 3.820 50 0 GHAARM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032106678 570960870 /nfs/dbraw/zinc/96/08/70/570960870.db2.gz NADDDQLQHARUQE-SFHVURJKSA-N -1 0 389.908 3.826 50 0 GHAARM Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)c2)n1 ZINC000031776635 601321691 /nfs/dbraw/zinc/32/16/91/601321691.db2.gz RWKQAXISWXAPMT-UHFFFAOYSA-N -1 0 397.456 3.568 50 0 GHAARM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000253425205 855101976 /nfs/dbraw/zinc/10/19/76/855101976.db2.gz QUAPXUBTFJNWDN-UHFFFAOYSA-N -1 0 375.494 3.517 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000025185077 856464062 /nfs/dbraw/zinc/46/40/62/856464062.db2.gz QTDAMFATORMQAT-HTAPYJJXSA-N -1 0 393.418 3.850 50 0 GHAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000040086961 856654325 /nfs/dbraw/zinc/65/43/25/856654325.db2.gz BCZSHTNRNPBXCB-UHFFFAOYSA-N -1 0 379.478 3.910 50 0 GHAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000606441332 859835416 /nfs/dbraw/zinc/83/54/16/859835416.db2.gz NOBQTXMVDFVQKK-UJEPJJAZSA-N -1 0 383.419 3.509 50 0 GHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(=O)OC)no2)s1 ZINC000021540613 860827413 /nfs/dbraw/zinc/82/74/13/860827413.db2.gz GNTDNSSOHZFKTE-UHFFFAOYSA-N -1 0 392.458 3.553 50 0 GHAARM COc1ccc(-n2cc([O-])c(C(=O)N3CCC(c4ccccc4C)CC3)n2)cc1 ZINC000181050332 879634806 /nfs/dbraw/zinc/63/48/06/879634806.db2.gz JHFXYVSQLVDRCZ-UHFFFAOYSA-N -1 0 391.471 3.915 50 0 GHAARM Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000095476152 913492017 /nfs/dbraw/zinc/49/20/17/913492017.db2.gz KSPAORZZYDHFDG-KRWDZBQOSA-N -1 0 380.429 3.698 50 0 GHAARM Cc1cc(OC(F)F)c(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)s1 ZINC000262810033 892355719 /nfs/dbraw/zinc/35/57/19/892355719.db2.gz DHKBNEJFBYQYRS-STQMWFEESA-N -1 0 381.400 3.598 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nnc(C2CC2)o1 ZINC000096379654 914443284 /nfs/dbraw/zinc/44/32/84/914443284.db2.gz WBNCGCMMLGQDJY-UHFFFAOYSA-N -1 0 394.403 3.638 50 0 GHAARM CCCc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cnn1-c1cccc(C)c1 ZINC000630569486 903450482 /nfs/dbraw/zinc/45/04/82/903450482.db2.gz YSYHRBKWESLGEW-RDJZCZTQSA-N -1 0 384.480 3.708 50 0 GHAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000079487211 907907754 /nfs/dbraw/zinc/90/77/54/907907754.db2.gz YIMPFIPHYKDECP-MRXNPFEDSA-N -1 0 387.461 3.804 50 0 GHAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000001415016 212243534 /nfs/dbraw/zinc/24/35/34/212243534.db2.gz YZXLJMBGRZAABA-UHFFFAOYSA-N -1 0 395.412 3.599 50 0 GHAARM CC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001274580 212234482 /nfs/dbraw/zinc/23/44/82/212234482.db2.gz XVXPECVKCRYKDB-JJAGWCGDSA-N -1 0 383.835 3.548 50 0 GHAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3nccnc3C(=O)[O-])cn2)cc1 ZINC000001032223 212206716 /nfs/dbraw/zinc/20/67/16/212206716.db2.gz ZBZKWWITQZSUFB-UHFFFAOYSA-N -1 0 392.415 3.912 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc2ccccc2o1 ZINC000000790871 212181060 /nfs/dbraw/zinc/18/10/60/212181060.db2.gz DMHFNOYUQLSBTH-UHFFFAOYSA-N -1 0 393.424 3.881 50 0 GHAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1 ZINC000000807760 212184755 /nfs/dbraw/zinc/18/47/55/212184755.db2.gz XAVZZPVOFMSZEX-QAPCUYQASA-N -1 0 377.437 3.592 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000627652 212165978 /nfs/dbraw/zinc/16/59/78/212165978.db2.gz CBZQLWBOIFBSOQ-IAGOWNOFSA-N -1 0 394.427 3.553 50 0 GHAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000006170588 212148483 /nfs/dbraw/zinc/14/84/83/212148483.db2.gz WRJTXZPLMAXLSL-FARCUNLSSA-N -1 0 392.205 3.513 50 0 GHAARM Cn1c2ccccc2c([O-])c(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)c1=O ZINC000253413726 212136354 /nfs/dbraw/zinc/13/63/54/212136354.db2.gz VNRPBDGJZQLDBG-KRWDZBQOSA-N -1 0 387.439 3.533 50 0 biogenic GHAARM O=C([O-])CCN(C(=O)c1ccc(Oc2cccc(F)c2)cc1)C1CCOCC1 ZINC000328595609 212082557 /nfs/dbraw/zinc/08/25/57/212082557.db2.gz ZCPXUSXCZDPCMF-UHFFFAOYSA-N -1 0 387.407 3.714 50 0 GHAARM O=C([O-])CC1=C(c2cccs2)Nn2c(nnc2-c2ccc(Cl)cc2)S1 ZINC000008391799 221039894 /nfs/dbraw/zinc/03/98/94/221039894.db2.gz GULWQMZMTANICX-GFCCVEGCSA-N -1 0 390.877 3.861 50 0 GHAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc2cccnc21 ZINC000008715492 221051673 /nfs/dbraw/zinc/05/16/73/221051673.db2.gz BICZPHGWJCFLJN-UHFFFAOYSA-N -1 0 384.457 3.928 50 0 GHAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000009089666 221069902 /nfs/dbraw/zinc/06/99/02/221069902.db2.gz MUHMMJUVRRXXHY-JOCHJYFZSA-N -1 0 377.444 3.714 50 0 GHAARM CCc1cccc(CC)c1NC(=O)c1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000009592123 221086133 /nfs/dbraw/zinc/08/61/33/221086133.db2.gz JXUFRXLBBMRDTA-QGZVFWFLSA-N -1 0 380.444 3.501 50 0 GHAARM CCC1C(=O)N=C(SCC(=O)N(C2CCCCC2)C2CCCCC2)N=C1[O-] ZINC000010059016 221096981 /nfs/dbraw/zinc/09/69/81/221096981.db2.gz YMQCVVZJWJTVII-UHFFFAOYSA-N -1 0 393.553 3.624 50 0 GHAARM COc1ccc(-c2nc3c(nc(-c4ccc(O)c(OC)c4)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694748 221121660 /nfs/dbraw/zinc/12/16/60/221121660.db2.gz CECHCMVLTWHIII-UHFFFAOYSA-N -1 0 391.383 3.713 50 0 GHAARM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000012068285 221146361 /nfs/dbraw/zinc/14/63/61/221146361.db2.gz SUIYSOVATYBPIG-UHFFFAOYSA-N -1 0 385.272 3.703 50 0 GHAARM COc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1C(=O)[O-] ZINC000012775489 221230294 /nfs/dbraw/zinc/23/02/94/221230294.db2.gz KIKUWAQYTHVZKC-ZDUSSCGKSA-N -1 0 392.455 3.930 50 0 GHAARM CCc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000013348657 221266082 /nfs/dbraw/zinc/26/60/82/221266082.db2.gz FBICWGBFRHGPEH-UHFFFAOYSA-N -1 0 390.490 3.874 50 0 GHAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000013251066 221263803 /nfs/dbraw/zinc/26/38/03/221263803.db2.gz INYADMCTKTZUPC-HXUWFJFHSA-N -1 0 389.473 3.913 50 0 GHAARM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCCCC1 ZINC000013467054 221268758 /nfs/dbraw/zinc/26/87/58/221268758.db2.gz FCNFYUCNIAPUOT-UHFFFAOYSA-N -1 0 396.369 3.650 50 0 GHAARM COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013466485 221269415 /nfs/dbraw/zinc/26/94/15/221269415.db2.gz JDPLZCQKDUOOCO-UHFFFAOYSA-N -1 0 389.370 3.704 50 0 GHAARM CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000013815362 221290209 /nfs/dbraw/zinc/29/02/09/221290209.db2.gz QAOBBBBDJSWHMU-WMBBNPMCSA-N -1 0 380.525 3.887 50 0 in-vitro GHAARM FC(F)(F)c1cccc(-n2c(Cn3nnc4ccccc43)n[n-]c2=S)c1 ZINC000013658385 221279928 /nfs/dbraw/zinc/27/99/28/221279928.db2.gz BUQKCEVOJNEAOW-UHFFFAOYSA-N -1 0 376.367 3.742 50 0 GHAARM O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000013696286 221282144 /nfs/dbraw/zinc/28/21/44/221282144.db2.gz BMROMWSTYPEQAX-UHFFFAOYSA-N -1 0 376.503 3.628 50 0 GHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000016205867 221358386 /nfs/dbraw/zinc/35/83/86/221358386.db2.gz RLFAWRLLWZSDEX-UHFFFAOYSA-N -1 0 391.805 3.977 50 0 GHAARM CCc1cc2c(ncn([N-]C(=O)c3csc(-c4ccc(C)cc4)n3)c2=O)s1 ZINC000017245401 221382694 /nfs/dbraw/zinc/38/26/94/221382694.db2.gz PCXQXEXCJPASEX-UHFFFAOYSA-N -1 0 396.497 3.836 50 0 GHAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC000017079693 221378579 /nfs/dbraw/zinc/37/85/79/221378579.db2.gz UFRIOHINGOWWGP-KBPBESRZSA-N -1 0 390.505 3.502 50 0 GHAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccc(OC)cc2C)c1 ZINC000065112460 222100916 /nfs/dbraw/zinc/10/09/16/222100916.db2.gz OYJSSCVOQADYQI-UHFFFAOYSA-N -1 0 377.491 3.749 50 0 GHAARM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000058245240 222047796 /nfs/dbraw/zinc/04/77/96/222047796.db2.gz DNFBNBPWEWBQPS-UHFFFAOYSA-N -1 0 385.489 3.509 50 0 GHAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccn4)c3)o2)cc1 ZINC000064473367 222071930 /nfs/dbraw/zinc/07/19/30/222071930.db2.gz OTVQKGRBIMXOTJ-UHFFFAOYSA-N -1 0 392.440 3.908 50 0 GHAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1 ZINC000064837340 222083395 /nfs/dbraw/zinc/08/33/95/222083395.db2.gz CBDNQLWEBDFRNQ-UHFFFAOYSA-N -1 0 388.445 3.776 50 0 GHAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1 ZINC000064920395 222087305 /nfs/dbraw/zinc/08/73/05/222087305.db2.gz YLPOCPLJUTUVQZ-UHFFFAOYSA-N -1 0 391.474 3.875 50 0 GHAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000064947282 222089365 /nfs/dbraw/zinc/08/93/65/222089365.db2.gz DKZAUVFLTVKZKD-UHFFFAOYSA-N -1 0 389.452 3.828 50 0 GHAARM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000072058897 222204424 /nfs/dbraw/zinc/20/44/24/222204424.db2.gz XAALJXFWRLVPSB-GOSISDBHSA-N -1 0 398.290 3.913 50 0 GHAARM O=S(=O)([N-]c1ccc2cccc(Br)c2n1)c1cccc(F)c1 ZINC000079096091 222303993 /nfs/dbraw/zinc/30/39/93/222303993.db2.gz LASDVJXLOWXPOZ-UHFFFAOYSA-N -1 0 381.226 3.937 50 0 GHAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000080358538 222306619 /nfs/dbraw/zinc/30/66/19/222306619.db2.gz KBZJXDLWRXOAIL-FQEVSTJZSA-N -1 0 386.407 3.921 50 0 GHAARM CCOCCOc1cccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1 ZINC000095384030 528845948 /nfs/dbraw/zinc/84/59/48/528845948.db2.gz DXEMZKSVRGWBSC-FQEVSTJZSA-N -1 0 397.471 3.820 50 0 GHAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCCC3)c([O-])n2n1 ZINC000022625929 570222393 /nfs/dbraw/zinc/22/23/93/570222393.db2.gz ZGXLHIPUCCWHNU-CYBMUJFWSA-N -1 0 393.310 3.753 50 0 GHAARM Cc1cc(C)c2c(nn3c2nc(-c2cccc(OC(F)F)c2)cc3C(=O)[O-])n1 ZINC000020615867 570272411 /nfs/dbraw/zinc/27/24/11/570272411.db2.gz KFGUQTOPEPERDD-UHFFFAOYSA-N -1 0 384.342 3.861 50 0 GHAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)n1 ZINC000020616449 570272571 /nfs/dbraw/zinc/27/25/71/570272571.db2.gz RAWKCBSAXROTQH-UHFFFAOYSA-N -1 0 396.790 3.832 50 0 GHAARM Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627430 570278054 /nfs/dbraw/zinc/27/80/54/570278054.db2.gz TWIDTHZECKCECT-SJORKVTESA-N -1 0 378.428 3.853 50 0 GHAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc(Br)cc1 ZINC000002597328 570291917 /nfs/dbraw/zinc/29/19/17/570291917.db2.gz WEMGRDZTNWEDPP-HNNXBMFYSA-N -1 0 378.222 3.891 50 0 GHAARM O=C([O-])C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000021658375 570293901 /nfs/dbraw/zinc/29/39/01/570293901.db2.gz LXSLRNYRUMRMKK-UHFFFAOYSA-N -1 0 394.294 3.691 50 0 GHAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000002861290 570311311 /nfs/dbraw/zinc/31/13/11/570311311.db2.gz BURLRZFVGRKQLY-UHFFFAOYSA-N -1 0 393.770 3.536 50 0 GHAARM O=C1N[C@]([N-]c2nc3ccccc3s2)(C(F)(F)F)C(=O)N1c1ccccc1 ZINC000002863672 570312356 /nfs/dbraw/zinc/31/23/56/570312356.db2.gz GDZZMRRQBRFZGM-INIZCTEOSA-N -1 0 392.362 3.723 50 0 GHAARM Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)[O-])n1Cc1ccccc1 ZINC000002995021 570324614 /nfs/dbraw/zinc/32/46/14/570324614.db2.gz QOTNSWYKEAGHQI-HNNXBMFYSA-N -1 0 383.473 3.779 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000003178753 570331672 /nfs/dbraw/zinc/33/16/72/570331672.db2.gz KJQMJTKIOYXMAZ-UHFFFAOYSA-N -1 0 379.743 3.858 50 0 GHAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000003324454 570338933 /nfs/dbraw/zinc/33/89/33/570338933.db2.gz PGMYBSUTQKPEJE-GFCCVEGCSA-N -1 0 392.235 3.627 50 0 GHAARM CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000003983640 570353811 /nfs/dbraw/zinc/35/38/11/570353811.db2.gz BYIZBQYFYUCIRM-CQSZACIVSA-N -1 0 383.492 3.905 50 0 GHAARM O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004002290 570354235 /nfs/dbraw/zinc/35/42/35/570354235.db2.gz MBORRBHWLLAYOK-UHFFFAOYSA-N -1 0 394.663 3.927 50 0 GHAARM CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)[O-] ZINC000004216741 570363433 /nfs/dbraw/zinc/36/34/33/570363433.db2.gz OJZYRQPMEIEQFC-UAWLTFRCSA-N -1 0 380.525 3.887 50 0 world GHAARM CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(NC(=O)COCC(=O)[O-])cc2)n1 ZINC000004390534 570373062 /nfs/dbraw/zinc/37/30/62/570373062.db2.gz VQBXTJLHOVZCPX-UHFFFAOYSA-N -1 0 387.480 3.507 50 0 GHAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c1C ZINC000006404222 570403531 /nfs/dbraw/zinc/40/35/31/570403531.db2.gz BLCTXZSHHYPTQU-UHFFFAOYSA-N -1 0 386.517 3.957 50 0 GHAARM CCOc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1OCC ZINC000005072437 570412869 /nfs/dbraw/zinc/41/28/69/570412869.db2.gz WDKIIIGXBOOQCB-LFIBNONCSA-N -1 0 389.835 3.993 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3F)n2)C1 ZINC000238022393 570420326 /nfs/dbraw/zinc/42/03/26/570420326.db2.gz HUTCGSSQERFUGN-CYBMUJFWSA-N -1 0 376.453 3.590 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000005121035 570430108 /nfs/dbraw/zinc/43/01/08/570430108.db2.gz ASKBFNKCMLTGPX-UHFFFAOYSA-N -1 0 380.469 3.726 50 0 in-vivo GHAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000237968918 570478811 /nfs/dbraw/zinc/47/88/11/570478811.db2.gz AJRRAPHSHRMBNI-NSHDSACASA-N -1 0 380.238 3.912 50 0 GHAARM CCOc1ccc(C2N=NC(=S)N2c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000006659492 570522936 /nfs/dbraw/zinc/52/29/36/570522936.db2.gz WQBBETHXZKYZCA-UHFFFAOYSA-N -1 0 375.837 3.973 50 0 GHAARM Cc1nc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])c2)cs1 ZINC000023549760 570542133 /nfs/dbraw/zinc/54/21/33/570542133.db2.gz PPFGRNXKIIZENI-UHFFFAOYSA-N -1 0 383.385 3.977 50 0 GHAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005625211 570674489 /nfs/dbraw/zinc/67/44/89/570674489.db2.gz AGGJWYOSRMLWGO-OYLHUBKDSA-N -1 0 397.862 3.938 50 0 GHAARM Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CCC[C@H]4C(=O)[O-])cc3)c2)n1 ZINC000685942469 570675271 /nfs/dbraw/zinc/67/52/71/570675271.db2.gz UBIPSEOPECRXGX-NRFANRHFSA-N -1 0 389.455 3.845 50 0 GHAARM CC(C)OC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCC2 ZINC000006883995 570679172 /nfs/dbraw/zinc/67/91/72/570679172.db2.gz GKQAROMEHQNZRK-UHFFFAOYSA-N -1 0 379.503 3.993 50 0 GHAARM COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000001130293 570712438 /nfs/dbraw/zinc/71/24/38/570712438.db2.gz JNILNQZOGCQMOP-UHFFFAOYSA-N -1 0 399.255 3.827 50 0 GHAARM Cc1cc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)ccc1Br ZINC000065215321 570733939 /nfs/dbraw/zinc/73/39/39/570733939.db2.gz YRLMDBNMSJXUDL-UHFFFAOYSA-N -1 0 393.262 3.629 50 0 GHAARM C[C@@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cc2ccccc2o1 ZINC000170066385 570799389 /nfs/dbraw/zinc/79/93/89/570799389.db2.gz WVUSFQULRNDJCW-FZKQIMNGSA-N -1 0 376.412 3.830 50 0 GHAARM O=c1[n-]c(-c2ccccc2)nn1-c1ccc(Br)cc1Br ZINC000005685000 570807921 /nfs/dbraw/zinc/80/79/21/570807921.db2.gz XZPYNEVOOICIET-UHFFFAOYSA-N -1 0 395.054 3.753 50 0 GHAARM O=C(Nc1cccc(F)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722847 570830364 /nfs/dbraw/zinc/83/03/64/570830364.db2.gz GMKWPSUBFAJDCE-UHFFFAOYSA-N -1 0 389.386 3.542 50 0 GHAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000238067591 570945301 /nfs/dbraw/zinc/94/53/01/570945301.db2.gz APMDUCPYGWQCIW-IRXDYDNUSA-N -1 0 385.410 3.713 50 0 GHAARM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000252507408 570978299 /nfs/dbraw/zinc/97/82/99/570978299.db2.gz WKOVMJKLOCEXMY-UHFFFAOYSA-N -1 0 394.468 3.554 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000002792147 570989396 /nfs/dbraw/zinc/98/93/96/570989396.db2.gz ZBNUYXIBHAWOFN-UHFFFAOYSA-N -1 0 379.844 3.833 50 0 GHAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007726617 571024683 /nfs/dbraw/zinc/02/46/83/571024683.db2.gz PYCYWRFHKKZHTC-UHFFFAOYSA-N -1 0 385.272 3.921 50 0 GHAARM CCN(C(=O)c1ccc(-c2ccc(C(=O)[O-])cc2OC)cc1)C1CCOCC1 ZINC000584889331 841165789 /nfs/dbraw/zinc/16/57/89/841165789.db2.gz ULUHUPOKDIKXEV-UHFFFAOYSA-N -1 0 383.444 3.702 50 0 GHAARM C[C@@H](c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1)n1cc(Cl)cn1 ZINC000002731577 861554669 /nfs/dbraw/zinc/55/46/69/861554669.db2.gz RFLNXDZXQUGFND-LBPRGKRZSA-N -1 0 385.884 3.986 50 0 GHAARM CCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925582 861799756 /nfs/dbraw/zinc/79/97/56/861799756.db2.gz XPYVWTPDGBJFCN-UHFFFAOYSA-N -1 0 379.551 3.843 50 0 GHAARM CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003209723 862253654 /nfs/dbraw/zinc/25/36/54/862253654.db2.gz USLZIZXZLDMQPB-UHFFFAOYSA-N -1 0 387.288 3.932 50 0 GHAARM Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000004317395 862957711 /nfs/dbraw/zinc/95/77/11/862957711.db2.gz YNWSMKCKYQOANM-UHFFFAOYSA-N -1 0 380.473 3.516 50 0 GHAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000020580386 860613367 /nfs/dbraw/zinc/61/33/67/860613367.db2.gz TVDYKDLBVLSEPB-UHFFFAOYSA-N -1 0 386.429 3.662 50 0 GHAARM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C4CC4)o3)c2)cc1Cl ZINC000096321627 860878438 /nfs/dbraw/zinc/87/84/38/860878438.db2.gz SHIAORJNMDNBAY-UHFFFAOYSA-N -1 0 378.841 3.705 50 0 GHAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)o1 ZINC000096379555 860906721 /nfs/dbraw/zinc/90/67/21/860906721.db2.gz LFHQURAPHAYRFV-UHFFFAOYSA-N -1 0 380.857 3.753 50 0 GHAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c2)no1 ZINC000021702124 860909713 /nfs/dbraw/zinc/90/97/13/860909713.db2.gz KNPPKYXRNZNQGC-UHFFFAOYSA-N -1 0 399.881 3.823 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c1 ZINC000021883945 860970359 /nfs/dbraw/zinc/97/03/59/860970359.db2.gz PEORRAIBLGNMMK-UHFFFAOYSA-N -1 0 399.497 3.635 50 0 GHAARM Cc1sc2nc(SCC(=O)[O-])n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000096594095 860994974 /nfs/dbraw/zinc/99/49/74/860994974.db2.gz LIDTWMQCJORHMT-UHFFFAOYSA-N -1 0 380.878 3.894 50 0 GHAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000022458874 861125521 /nfs/dbraw/zinc/12/55/21/861125521.db2.gz YYIDDHICZCFLLZ-SFHVURJKSA-N -1 0 399.564 3.655 50 0 GHAARM Cc1ccc(-n2[n-]c(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)cc2=O)cc1 ZINC000581860669 870078704 /nfs/dbraw/zinc/07/87/04/870078704.db2.gz DMBPRNVYCONYJZ-UHFFFAOYSA-N -1 0 393.409 3.859 50 0 GHAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 ZINC000263173372 892462757 /nfs/dbraw/zinc/46/27/57/892462757.db2.gz SJFFELKJEPFMLH-HOCLYGCPSA-N -1 0 381.432 3.513 50 0 GHAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2[n-]c1=S ZINC000012563832 230880418 /nfs/dbraw/zinc/88/04/18/230880418.db2.gz HAIURQQWQBJEJJ-UHFFFAOYSA-N -1 0 383.473 3.656 50 0 GHAARM CCc1nc(C)c(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)o1 ZINC000426412506 529718900 /nfs/dbraw/zinc/71/89/00/529718900.db2.gz WHBHVKXKOCXRCE-HOIFWPIMSA-N -1 0 382.460 3.656 50 0 GHAARM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c(C)c1C ZINC000001110556 212218216 /nfs/dbraw/zinc/21/82/16/212218216.db2.gz QTCAKMPBKAQAHZ-UHFFFAOYSA-N -1 0 385.869 3.783 50 0 GHAARM O=C([O-])COc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000001073087 212213555 /nfs/dbraw/zinc/21/35/55/212213555.db2.gz NUUDXLQCWABHTA-UHFFFAOYSA-N -1 0 389.473 3.999 50 0 GHAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)no1 ZINC000001027682 212207346 /nfs/dbraw/zinc/20/73/46/212207346.db2.gz YAXYQZKYTBVXMS-UHFFFAOYSA-N -1 0 390.396 3.567 50 0 GHAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Cl ZINC000000991157 212202409 /nfs/dbraw/zinc/20/24/09/212202409.db2.gz MKMUWAWIJSZBHH-UHFFFAOYSA-N -1 0 387.848 3.788 50 0 GHAARM CCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 ZINC000009331105 212181215 /nfs/dbraw/zinc/18/12/15/212181215.db2.gz XHDINUNGCDLSRA-UHFFFAOYSA-N -1 0 396.472 3.722 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)c2cccnc12 ZINC000000795662 212182443 /nfs/dbraw/zinc/18/24/43/212182443.db2.gz FAZDMWUFJSHBPP-GHMZBOCLSA-N -1 0 375.222 3.603 50 0 GHAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000000722397 212177998 /nfs/dbraw/zinc/17/79/98/212177998.db2.gz JRLPCADWQFCHPP-UHFFFAOYSA-N -1 0 386.473 3.991 50 0 GHAARM O=C([O-])c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000000753201 212179937 /nfs/dbraw/zinc/17/99/37/212179937.db2.gz XKSCTZJTTBEZAD-UHFFFAOYSA-N -1 0 386.127 3.876 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1Br)C(=O)[O-] ZINC000000622326 212165706 /nfs/dbraw/zinc/16/57/06/212165706.db2.gz LRWBZPYAVUGRHS-QGZVFWFLSA-N -1 0 384.270 3.846 50 0 GHAARM Cc1c([N-]S(=O)(=O)c2ccc(Cl)nc2)cnn1-c1cc(C)ccc1C ZINC000161818801 212161042 /nfs/dbraw/zinc/16/10/42/212161042.db2.gz JFXOVGFUWICHDN-UHFFFAOYSA-N -1 0 376.869 3.647 50 0 GHAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000238018737 212132896 /nfs/dbraw/zinc/13/28/96/212132896.db2.gz HOXNEIBXSWRYMI-LLVKDONJSA-N -1 0 380.238 3.912 50 0 GHAARM O=S(=O)([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000002734801 220558939 /nfs/dbraw/zinc/55/89/39/220558939.db2.gz GAZQSYWEMBLARQ-UHFFFAOYSA-N -1 0 381.866 3.571 50 0 GHAARM CCCCOc1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000002827908 220571391 /nfs/dbraw/zinc/57/13/91/220571391.db2.gz KQFORSWLJKPCIN-SFHVURJKSA-N -1 0 399.468 3.988 50 0 GHAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C34CCC(CC3)C4)cc2)c1C ZINC000003198486 220608729 /nfs/dbraw/zinc/60/87/29/220608729.db2.gz FTFLECXZOZCMMY-UHFFFAOYSA-N -1 0 389.477 3.611 50 0 GHAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004174380 220689659 /nfs/dbraw/zinc/68/96/59/220689659.db2.gz AJOWESKTXGCGOZ-AGIUHOORSA-N -1 0 392.521 3.582 50 0 GHAARM O=C([O-])Cc1ccc(C(=O)CSc2nccc(-c3cccs3)n2)s1 ZINC000004324993 220707208 /nfs/dbraw/zinc/70/72/08/220707208.db2.gz VGDUZRUBFADCTK-UHFFFAOYSA-N -1 0 376.484 3.869 50 0 GHAARM Cc1cc(C)cc(NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000006572408 220943270 /nfs/dbraw/zinc/94/32/70/220943270.db2.gz XIFYZHWRXWOCKJ-UHFFFAOYSA-N -1 0 377.535 3.607 50 0 GHAARM O=C(c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)s1)N1CCCC1 ZINC000009807572 221091397 /nfs/dbraw/zinc/09/13/97/221091397.db2.gz GPRCIYHRZOBPIW-UHFFFAOYSA-N -1 0 390.530 3.664 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000011851815 221131691 /nfs/dbraw/zinc/13/16/91/221131691.db2.gz CJFMQNMBJBMYCT-UHFFFAOYSA-N -1 0 388.832 3.868 50 0 GHAARM Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C)c(=O)[n-]2)c2ccccc2)c1 ZINC000011419589 221115893 /nfs/dbraw/zinc/11/58/93/221115893.db2.gz NZUYIAGWPFVAQZ-KRWDZBQOSA-N -1 0 380.473 3.975 50 0 GHAARM COc1cccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000012416043 221190025 /nfs/dbraw/zinc/19/00/25/221190025.db2.gz UXKFGTWLRVZINV-UHFFFAOYSA-N -1 0 386.407 3.957 50 0 GHAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012604800 221214768 /nfs/dbraw/zinc/21/47/68/221214768.db2.gz SSUDFJTXWQJVGE-UHFFFAOYSA-N -1 0 393.770 3.946 50 0 GHAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000012630543 221215414 /nfs/dbraw/zinc/21/54/14/221215414.db2.gz NCNNVUMMRHLEDC-UHFFFAOYSA-N -1 0 390.642 3.602 50 0 GHAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000012763191 221228323 /nfs/dbraw/zinc/22/83/23/221228323.db2.gz VCBHAAIQWWJVFH-UHFFFAOYSA-N -1 0 376.217 3.501 50 0 GHAARM CC(C)c1ccc(CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000013235400 221263635 /nfs/dbraw/zinc/26/36/35/221263635.db2.gz XWICQSYSXLIOJW-FQEVSTJZSA-N -1 0 379.460 3.786 50 0 GHAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000018115425 221386900 /nfs/dbraw/zinc/38/69/00/221386900.db2.gz OGTIMGRLCHVJSK-UHFFFAOYSA-N -1 0 384.866 3.779 50 0 GHAARM COc1ccccc1-c1c(C)[n-]n2c1nc(CSc1nccc(C)n1)cc2=O ZINC000018077440 221387183 /nfs/dbraw/zinc/38/71/83/221387183.db2.gz YXXODLMUAZYXPV-UHFFFAOYSA-N -1 0 393.472 3.810 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000018194703 221388907 /nfs/dbraw/zinc/38/89/07/221388907.db2.gz TZRZERHBURAQLI-UHFFFAOYSA-N -1 0 394.452 3.736 50 0 GHAARM O=C([O-])c1ccc(N2C(=S)N=NC2c2ccc(F)c(Br)c2)cc1 ZINC000020725473 221510169 /nfs/dbraw/zinc/51/01/69/221510169.db2.gz PACLUHFXCPZQQC-UHFFFAOYSA-N -1 0 394.225 3.823 50 0 GHAARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)[nH]1 ZINC000000634713 136192898 /nfs/dbraw/zinc/19/28/98/136192898.db2.gz BNKNDAKWXLFJCD-XFFZJAGNSA-N -1 0 394.283 3.770 50 0 GHAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000036293910 221850145 /nfs/dbraw/zinc/85/01/45/221850145.db2.gz YFSXCEZNEFYQAD-QGZVFWFLSA-N -1 0 381.881 3.785 50 0 GHAARM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150973 222015274 /nfs/dbraw/zinc/01/52/74/222015274.db2.gz JSHMIHINSGOWJM-SJORKVTESA-N -1 0 378.428 3.853 50 0 GHAARM Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCC(=O)[O-] ZINC000058377227 222051274 /nfs/dbraw/zinc/05/12/74/222051274.db2.gz ZJKGPDHWHXEWDL-UHFFFAOYSA-N -1 0 390.244 3.566 50 0 GHAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1cccc(F)c1 ZINC000058356644 222051503 /nfs/dbraw/zinc/05/15/03/222051503.db2.gz KSZQZLNYDJERDC-UHFFFAOYSA-N -1 0 389.404 3.821 50 0 GHAARM CCCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c2cccnc21 ZINC000065242247 222115173 /nfs/dbraw/zinc/11/51/73/222115173.db2.gz AYWJKTZBEIZVDV-UHFFFAOYSA-N -1 0 379.869 3.909 50 0 GHAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071714890 222187289 /nfs/dbraw/zinc/18/72/89/222187289.db2.gz YFQQYNQXQZIBDG-GOSISDBHSA-N -1 0 393.462 3.790 50 0 GHAARM C[C@](NC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)(C(=O)[O-])C1CC1 ZINC000095989579 222369130 /nfs/dbraw/zinc/36/91/30/222369130.db2.gz PUTQPRTUSBIWBA-MRXNPFEDSA-N -1 0 384.379 3.812 50 0 GHAARM O=S(=O)([N-]Cc1cc(C2CC2)n(C2CCCC2)n1)c1c(F)cccc1F ZINC000096104103 222382178 /nfs/dbraw/zinc/38/21/78/222382178.db2.gz LJGSDRABDKQOBL-UHFFFAOYSA-N -1 0 381.448 3.632 50 0 GHAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000019881492 570227588 /nfs/dbraw/zinc/22/75/88/570227588.db2.gz JNIRKPVNIDXDDX-LBPRGKRZSA-N -1 0 397.239 3.511 50 0 GHAARM COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000001164866 570252361 /nfs/dbraw/zinc/25/23/61/570252361.db2.gz BPIYPBHRMKVQQQ-UHFFFAOYSA-N -1 0 389.363 3.986 50 0 GHAARM O=C(Cc1csc([N-]c2ncccn2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000049029379 570260503 /nfs/dbraw/zinc/26/05/03/570260503.db2.gz MXDQUGWGOANOSP-UHFFFAOYSA-N -1 0 393.516 3.701 50 0 GHAARM O=C(Nc1ccccc1Br)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662843 570274292 /nfs/dbraw/zinc/27/42/92/570274292.db2.gz VAYKHWSLLHNRLJ-UHFFFAOYSA-N -1 0 399.244 3.668 50 0 GHAARM CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)[O-] ZINC000002562460 570290945 /nfs/dbraw/zinc/29/09/45/570290945.db2.gz QTHRPXQGSVSFOG-FSJXIACGSA-N -1 0 397.471 3.775 50 0 GHAARM O=c1c(N=Nc2ccc3c(c2)OCCO3)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000245284631 570292363 /nfs/dbraw/zinc/29/23/63/570292363.db2.gz SNVRCTZINQMERP-UHFFFAOYSA-N -1 0 398.422 3.677 50 0 GHAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000002860512 570311105 /nfs/dbraw/zinc/31/11/05/570311105.db2.gz CLUCIOWWTLBRMT-INIZCTEOSA-N -1 0 383.853 3.520 50 0 GHAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000002890059 570316891 /nfs/dbraw/zinc/31/68/91/570316891.db2.gz SHIYYQOYFQIHJP-GFCCVEGCSA-N -1 0 397.239 3.511 50 0 GHAARM COc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000023172665 570347702 /nfs/dbraw/zinc/34/77/02/570347702.db2.gz NUHSDNPNQARRSD-UHFFFAOYSA-N -1 0 388.470 3.810 50 0 GHAARM CC(C)n1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1 ZINC000072191525 570366272 /nfs/dbraw/zinc/36/62/72/570366272.db2.gz REYWWCVTSRFJDS-UHFFFAOYSA-N -1 0 396.472 3.955 50 0 GHAARM Cc1onc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)c1C ZINC000006373271 570398639 /nfs/dbraw/zinc/39/86/39/570398639.db2.gz SXJKDBFRBZZBRN-UHFFFAOYSA-N -1 0 392.481 3.546 50 0 GHAARM CC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000004756871 570403656 /nfs/dbraw/zinc/40/36/56/570403656.db2.gz KXYQEBXXVAPNEF-UHFFFAOYSA-N -1 0 394.452 3.942 50 0 GHAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000026544082 570426828 /nfs/dbraw/zinc/42/68/28/570426828.db2.gz GZSLDYVPJHGCBV-UHFFFAOYSA-N -1 0 375.425 3.545 50 0 GHAARM COc1ccc(-c2nonc2[N-]C(=O)c2cc(-c3ccccc3)on2)cc1OC ZINC000027794042 570443095 /nfs/dbraw/zinc/44/30/95/570443095.db2.gz LLKXCWHDIFAPHB-UHFFFAOYSA-N -1 0 392.371 3.661 50 0 GHAARM COc1cc(C=NNc2nnc3c4ccccc4nc-3[n-]2)ccc1OC(C)C ZINC000252516603 570451156 /nfs/dbraw/zinc/45/11/56/570451156.db2.gz VAGMGDMHJOMKSU-UHFFFAOYSA-N -1 0 376.420 3.748 50 0 GHAARM O=C([O-])c1cccc(N=NC(C(=O)Nc2ccccc2)C(=O)c2ccccc2)c1 ZINC000252639259 570455540 /nfs/dbraw/zinc/45/55/40/570455540.db2.gz YISUOIYUBJKSGE-UHFFFAOYSA-N -1 0 387.395 3.674 50 0 GHAARM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000006316364 570476842 /nfs/dbraw/zinc/47/68/42/570476842.db2.gz DGMBAGZGAMIGEX-UHFFFAOYSA-N -1 0 381.457 3.752 50 0 GHAARM O=c1[n-]c(CNc2cccc(Cl)c2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000071282990 570523970 /nfs/dbraw/zinc/52/39/70/570523970.db2.gz HQPXCONBSMOABX-UHFFFAOYSA-N -1 0 398.772 3.784 50 0 GHAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@H]1CCOC1 ZINC000685944993 570675237 /nfs/dbraw/zinc/67/52/37/570675237.db2.gz NFNSQJCGCBLTDW-HZPDHXFCSA-N -1 0 395.455 3.653 50 0 GHAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@@H](C)C3 ZINC000200464316 570726285 /nfs/dbraw/zinc/72/62/85/570726285.db2.gz BRIFWGHKBMMSTM-JTQLQIEISA-N -1 0 384.819 3.739 50 0 GHAARM C[C@@H](CS(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1ccccc1 ZINC000170050600 570795703 /nfs/dbraw/zinc/79/57/03/570795703.db2.gz MHEVGWHRFZRXJW-NSHDSACASA-N -1 0 398.278 3.693 50 0 GHAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167011 570814965 /nfs/dbraw/zinc/81/49/65/570814965.db2.gz DMAODUWHGHUAPL-GJZGRUSLSA-N -1 0 393.205 3.626 50 0 GHAARM CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004672036 570820391 /nfs/dbraw/zinc/82/03/91/570820391.db2.gz GUNODGGFSQOICX-DENIHFKCSA-N -1 0 396.418 3.655 50 0 GHAARM CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004672035 570820499 /nfs/dbraw/zinc/82/04/99/570820499.db2.gz GUNODGGFSQOICX-SIKLNZKXSA-N -1 0 396.418 3.655 50 0 GHAARM CCOc1ccc(-c2noc(-c3c([O-])c4ccccc4n(CC)c3=O)n2)cc1 ZINC000101725517 570831793 /nfs/dbraw/zinc/83/17/93/570831793.db2.gz HUCNICQBILBRAW-UHFFFAOYSA-N -1 0 377.400 3.843 50 0 GHAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000007428358 570842195 /nfs/dbraw/zinc/84/21/95/570842195.db2.gz UVPSXYCZGYKQJB-UHFFFAOYSA-N -1 0 379.434 3.936 50 0 GHAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000102404058 570848801 /nfs/dbraw/zinc/84/88/01/570848801.db2.gz DQMIBJDNMXJXIA-OAHLLOKOSA-N -1 0 375.432 3.988 50 0 GHAARM C[C@H]1c2cc(S(=O)(=O)Nc3cccc(Cl)c3)cc3c2N(CCC3)C1=O ZINC000102675853 570855965 /nfs/dbraw/zinc/85/59/65/570855965.db2.gz FGVOXDMEJNQVNU-NSHDSACASA-N -1 0 376.865 3.537 50 0 GHAARM O=C([O-])c1cc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)ccc1Cl ZINC000004550499 570865076 /nfs/dbraw/zinc/86/50/76/570865076.db2.gz LFCVNZIIPIVZFK-UHFFFAOYSA-N -1 0 383.256 3.747 50 0 GHAARM O=S(=O)([N-]c1nc2c(s1)CCCCC2)c1c(F)c(F)cc(F)c1F ZINC000170617488 570876439 /nfs/dbraw/zinc/87/64/39/570876439.db2.gz ACSMCNXSHUHAKO-UHFFFAOYSA-N -1 0 380.388 3.769 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)s3)cc2[n-]c1=S ZINC000103125786 570876495 /nfs/dbraw/zinc/87/64/95/570876495.db2.gz ULQSZDDMMMVZCU-SECBINFHSA-N -1 0 393.921 3.911 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(F)c3)cc2[n-]c1=S ZINC000103469667 570885279 /nfs/dbraw/zinc/88/52/79/570885279.db2.gz OWOYXCFCNBMSEZ-UHFFFAOYSA-N -1 0 377.828 3.750 50 0 GHAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004573320 570897541 /nfs/dbraw/zinc/89/75/41/570897541.db2.gz JSSARJZMIKOZJM-WMLDXEAASA-N -1 0 397.855 3.855 50 0 GHAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238068069 570945287 /nfs/dbraw/zinc/94/52/87/570945287.db2.gz CAQURYMQGATNFK-ZIAGYGMSSA-N -1 0 386.275 3.579 50 0 GHAARM O=C(c1ccccc1Br)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000004163592 570968110 /nfs/dbraw/zinc/96/81/10/570968110.db2.gz GJIJAWMNSQXSRY-IINYFYTJSA-N -1 0 391.187 3.702 50 0 GHAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000170685453 571010503 /nfs/dbraw/zinc/01/05/03/571010503.db2.gz QSNGPCOXAQCIND-FPOVZHCZSA-N -1 0 381.472 3.930 50 0 GHAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000095361308 571055516 /nfs/dbraw/zinc/05/55/16/571055516.db2.gz RKFZQHIXMSXBCY-INIZCTEOSA-N -1 0 395.434 3.739 50 0 GHAARM COc1cc2c(cc1C(=O)N1CCC[C@H](c3ccc(C(=O)[O-])cc3)C1)CCC2 ZINC000095384392 571069454 /nfs/dbraw/zinc/06/94/54/571069454.db2.gz JIIZHARSWYVKIJ-IBGZPJMESA-N -1 0 379.456 3.902 50 0 GHAARM CCOc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCC(=O)[O-] ZINC000299750897 599896663 /nfs/dbraw/zinc/89/66/63/599896663.db2.gz ORLZBDBCFJPDNW-CQSZACIVSA-N -1 0 375.446 3.588 50 0 GHAARM COc1ccc(CCn2c(=O)c3ccc(Cl)cc3[n-]c2=S)cc1OC ZINC000003043396 862140975 /nfs/dbraw/zinc/14/09/75/862140975.db2.gz FUPZYWXCXPFNAC-UHFFFAOYSA-N -1 0 376.865 3.972 50 0 GHAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000003303866 862325868 /nfs/dbraw/zinc/32/58/68/862325868.db2.gz PLEFGYJHMMFWOF-UHFFFAOYSA-N -1 0 386.267 3.657 50 0 GHAARM O=C([O-])c1ccccc1S[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000003308023 862328316 /nfs/dbraw/zinc/32/83/16/862328316.db2.gz ISKZGTXVDQEWJU-FUHWJXTLSA-N -1 0 391.514 3.767 50 0 GHAARM COc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000003448502 862420191 /nfs/dbraw/zinc/42/01/91/862420191.db2.gz BSYPPKJWPAYROK-UHFFFAOYSA-N -1 0 378.194 3.537 50 0 GHAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1F)c1c(F)cccc1F ZINC000027530984 855074601 /nfs/dbraw/zinc/07/46/01/855074601.db2.gz KIQJSRCBLAIHJY-UHFFFAOYSA-N -1 0 395.340 3.865 50 0 GHAARM C[C@@H](Nc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1)C(=O)[O-] ZINC000008569830 856265684 /nfs/dbraw/zinc/26/56/84/856265684.db2.gz PQPLYJJQLYDEGS-SNVBAGLBSA-N -1 0 386.362 3.522 50 0 GHAARM CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000117046897 856475073 /nfs/dbraw/zinc/47/50/73/856475073.db2.gz PWYAUIUPDMSWJH-UGSOOPFHSA-N -1 0 375.852 3.544 50 0 in-vitro GHAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000009009583 856697765 /nfs/dbraw/zinc/69/77/65/856697765.db2.gz FDGFVGHNZNBHDH-UTKZUKDTSA-N -1 0 395.846 3.975 50 0 GHAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000009009584 856697811 /nfs/dbraw/zinc/69/78/11/856697811.db2.gz FDGFVGHNZNBHDH-LAUBAEHRSA-N -1 0 395.846 3.975 50 0 GHAARM CC(C)C[C@H](NC(=O)c1nc(SCc2ccccc2)ncc1Cl)C(=O)[O-] ZINC000041097695 857170224 /nfs/dbraw/zinc/17/02/24/857170224.db2.gz NNFQTNDLIJDYTQ-AWEZNQCLSA-N -1 0 393.896 3.651 50 0 GHAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1 ZINC000004280051 862928930 /nfs/dbraw/zinc/92/89/30/862928930.db2.gz SSLKNXWYQIZUOS-LJQANCHMSA-N -1 0 380.400 3.644 50 0 GHAARM COCCN(Cc1ccco1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000095456811 860589297 /nfs/dbraw/zinc/58/92/97/860589297.db2.gz XBFBQQWJKBKHLH-UHFFFAOYSA-N -1 0 388.645 3.690 50 0 GHAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)c2)no1 ZINC000021701946 860910493 /nfs/dbraw/zinc/91/04/93/860910493.db2.gz TXSFPKSEMPWPJU-UHFFFAOYSA-N -1 0 388.430 3.562 50 0 GHAARM CCc1cccc([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)c1 ZINC000021883967 860969936 /nfs/dbraw/zinc/96/99/36/860969936.db2.gz NTDVJBKMKIZUGO-UHFFFAOYSA-N -1 0 399.497 3.581 50 0 GHAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000195800161 878404228 /nfs/dbraw/zinc/40/42/28/878404228.db2.gz COWWRRLIUPZNHF-UHFFFAOYSA-N -1 0 375.837 3.773 50 0 GHAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c1 ZINC000096323473 914390265 /nfs/dbraw/zinc/39/02/65/914390265.db2.gz AVAYOISPQQVRHT-UHFFFAOYSA-N -1 0 394.474 3.838 50 0 GHAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1-c1nnc(C2CC2)o1 ZINC000096379646 914442963 /nfs/dbraw/zinc/44/29/63/914442963.db2.gz BECNTLZIMQDLPN-UHFFFAOYSA-N -1 0 386.477 3.977 50 0 GHAARM COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000299749282 222783390 /nfs/dbraw/zinc/78/33/90/222783390.db2.gz JUPKYJCRUKKSRM-SFHVURJKSA-N -1 0 383.444 3.698 50 0 GHAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1Cl ZINC000001111006 212218048 /nfs/dbraw/zinc/21/80/48/212218048.db2.gz ICEZRRFCTQUWMK-UHFFFAOYSA-N -1 0 378.881 3.685 50 0 GHAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000000669627 212172838 /nfs/dbraw/zinc/17/28/38/212172838.db2.gz IZTOXBAVGARGNF-SJORKVTESA-N -1 0 399.497 3.686 50 0 GHAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Br)cc1)C(=O)[O-] ZINC000000622329 212166106 /nfs/dbraw/zinc/16/61/06/212166106.db2.gz VQWRXYZZPMLJRL-KRWDZBQOSA-N -1 0 384.270 3.846 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000627656 212165547 /nfs/dbraw/zinc/16/55/47/212165547.db2.gz CBZQLWBOIFBSOQ-IRXDYDNUSA-N -1 0 394.427 3.553 50 0 GHAARM CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000000651874 212170046 /nfs/dbraw/zinc/17/00/46/212170046.db2.gz YBEXVPPPGYMTMI-UHFFFAOYSA-N -1 0 391.445 3.794 50 0 GHAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000646775 212169852 /nfs/dbraw/zinc/16/98/52/212169852.db2.gz PGUATSAGAVAASQ-UHFFFAOYSA-N -1 0 389.260 3.761 50 0 GHAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000253414671 212136378 /nfs/dbraw/zinc/13/63/78/212136378.db2.gz YEEVNXYGYNSQIS-INIZCTEOSA-N -1 0 388.375 3.793 50 0 biogenic GHAARM CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Cl ZINC000001158929 220480566 /nfs/dbraw/zinc/48/05/66/220480566.db2.gz RBJCNYRZTQYKGZ-UHFFFAOYSA-N -1 0 392.864 3.872 50 0 GHAARM CCc1ccc(Nc2nc(NCC(=O)[O-])nc(Nc3ccc(CC)cc3)n2)cc1 ZINC000007498216 221000234 /nfs/dbraw/zinc/00/02/34/221000234.db2.gz VIBVQRSZJXVLAI-UHFFFAOYSA-N -1 0 392.463 3.980 50 0 GHAARM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n[nH]2)cc1 ZINC000008195473 221030749 /nfs/dbraw/zinc/03/07/49/221030749.db2.gz GDWIIGQWYVTFPO-UHFFFAOYSA-N -1 0 398.488 3.788 50 0 GHAARM COC(=O)c1sccc1Oc1ccccc1[N-]S(=O)(=O)CC(F)(F)F ZINC000008782230 221057984 /nfs/dbraw/zinc/05/79/84/221057984.db2.gz JWWVFBNAGQZETR-UHFFFAOYSA-N -1 0 395.380 3.631 50 0 GHAARM COc1ccc(/C=C(\C(=O)[O-])c2ccc(I)cc2)cc1 ZINC000008731857 221052292 /nfs/dbraw/zinc/05/22/92/221052292.db2.gz FMDOSJHQLARFRC-GDNBJRDFSA-N -1 0 380.181 3.925 50 0 GHAARM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccc(Cl)cc1 ZINC000010423643 221102932 /nfs/dbraw/zinc/10/29/32/221102932.db2.gz IBVJDLQBZKGLAY-OAHLLOKOSA-N -1 0 387.892 3.757 50 0 GHAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2cccc(O)c2)cc1 ZINC000013087040 221260691 /nfs/dbraw/zinc/26/06/91/221260691.db2.gz QJWWXLYAPVWUPJ-MDWZMJQESA-N -1 0 384.391 3.960 50 0 GHAARM O=C([O-])[C@@H](CC1CCOCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000015446438 221336826 /nfs/dbraw/zinc/33/68/26/221336826.db2.gz GHWBOWNFASFNHK-OAQYLSRUSA-N -1 0 395.455 3.795 50 0 GHAARM Cc1cc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)ccc1Cl ZINC000018180976 221388914 /nfs/dbraw/zinc/38/89/14/221388914.db2.gz URDFTTNCKSJXNR-OAHLLOKOSA-N -1 0 375.833 3.771 50 0 GHAARM Cc1cnc(C)c(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)n1 ZINC000082148412 136174072 /nfs/dbraw/zinc/17/40/72/136174072.db2.gz WDUBNHPULIYJBR-UHFFFAOYSA-N -1 0 377.444 3.749 50 0 GHAARM Cc1ccc(N2C(C)=CC(=C3C(=O)[N-]C(=O)NC3=O)C=C2C(F)(F)F)cc1 ZINC000096346813 136186676 /nfs/dbraw/zinc/18/66/76/136186676.db2.gz CWEYQXYGHWFTPH-UHFFFAOYSA-N -1 0 377.322 3.668 50 0 GHAARM O=C([O-])c1cc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)ccc1F ZINC000055621739 222024502 /nfs/dbraw/zinc/02/45/02/222024502.db2.gz RPIUUMVVKCXISE-UHFFFAOYSA-N -1 0 393.367 3.652 50 0 GHAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000049409511 221997193 /nfs/dbraw/zinc/99/71/93/221997193.db2.gz FDOGWGQWJAFCHB-UHFFFAOYSA-N -1 0 378.837 3.703 50 0 GHAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2ccno2)s1 ZINC000065031191 222096695 /nfs/dbraw/zinc/09/66/95/222096695.db2.gz YDBJGLBVCGORGM-UHFFFAOYSA-N -1 0 385.264 3.966 50 0 GHAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C)o2)cs1 ZINC000065098583 222100780 /nfs/dbraw/zinc/10/07/80/222100780.db2.gz ASMSWXVGVOIRDV-UHFFFAOYSA-N -1 0 385.854 3.569 50 0 GHAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)cn32)cc1 ZINC000065183527 222107491 /nfs/dbraw/zinc/10/74/91/222107491.db2.gz QCDYTYHJKLPMSF-UHFFFAOYSA-N -1 0 392.506 3.587 50 0 GHAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1 ZINC000058263913 222046913 /nfs/dbraw/zinc/04/69/13/222046913.db2.gz AQXHGPOLUIVTKP-UHFFFAOYSA-N -1 0 385.445 3.863 50 0 GHAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1)N1CCCCC1 ZINC000064919695 222087904 /nfs/dbraw/zinc/08/79/04/222087904.db2.gz MUYYFQXJPHBQAI-UHFFFAOYSA-N -1 0 398.937 3.757 50 0 GHAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(C)c(C)c1 ZINC000067246022 222142581 /nfs/dbraw/zinc/14/25/81/222142581.db2.gz RNMYISUCQHHDFT-UHFFFAOYSA-N -1 0 398.488 3.696 50 0 GHAARM Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072168692 222215029 /nfs/dbraw/zinc/21/50/29/222215029.db2.gz XEYWNRJNCCTJKL-INIZCTEOSA-N -1 0 376.412 3.978 50 0 GHAARM Cc1c(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)[nH]nc1-c1ccccc1 ZINC000072165960 222215184 /nfs/dbraw/zinc/21/51/84/222215184.db2.gz OLDYDJYHFICNRQ-MRXNPFEDSA-N -1 0 375.428 3.713 50 0 GHAARM O=C([O-])c1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1 ZINC000072400767 222253656 /nfs/dbraw/zinc/25/36/56/222253656.db2.gz SMUMNYOWDIFKDP-UHFFFAOYSA-N -1 0 383.407 3.925 50 0 GHAARM CCCn1ccnc1CN1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082098264 222309084 /nfs/dbraw/zinc/30/90/84/222309084.db2.gz LIGYRLKBZMLTEM-UHFFFAOYSA-N -1 0 393.487 3.945 50 0 GHAARM CCc1nnc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)s1 ZINC000082160394 222312591 /nfs/dbraw/zinc/31/25/91/222312591.db2.gz OHKQOHSKJMFKJB-UHFFFAOYSA-N -1 0 383.473 3.756 50 0 GHAARM Cc1nc(CSc2ccc(C(=O)N(CCC(=O)[O-])C3CC3)cc2)cs1 ZINC000095969856 222367969 /nfs/dbraw/zinc/36/79/69/222367969.db2.gz ZOZPKURBSWELCN-UHFFFAOYSA-N -1 0 376.503 3.823 50 0 GHAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)C1 ZINC000178267253 526279551 /nfs/dbraw/zinc/27/95/51/526279551.db2.gz HMDGIZWGUJFPLE-SNVBAGLBSA-N -1 0 381.215 3.727 50 0 GHAARM Cc1oc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000268944092 526768873 /nfs/dbraw/zinc/76/88/73/526768873.db2.gz UXDZDMCPEHANFX-LSDHHAIUSA-N -1 0 397.349 3.947 50 0 GHAARM Cc1nc(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])oc1-c1ccccc1 ZINC000268949477 526805764 /nfs/dbraw/zinc/80/57/64/526805764.db2.gz RROKMSCNZAJCBD-KSZLIROESA-N -1 0 382.460 3.827 50 0 GHAARM C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001133952 570246635 /nfs/dbraw/zinc/24/66/35/570246635.db2.gz WFFHQOCSBJONCZ-YPKPFQOOSA-N -1 0 399.497 3.986 50 0 GHAARM CN(Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1)Cc1n[nH]c(=O)[n-]1 ZINC000020201425 570247498 /nfs/dbraw/zinc/24/74/98/570247498.db2.gz GLJUIKXPMDCGLS-UHFFFAOYSA-N -1 0 380.496 3.591 50 0 GHAARM COc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccccc2C)C[C@H]2CCCO2)c1 ZINC000097674091 570249000 /nfs/dbraw/zinc/24/90/00/570249000.db2.gz WZCCMUHZDRGZJX-LJQANCHMSA-N -1 0 383.444 3.523 50 0 GHAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)n1 ZINC000020614484 570272154 /nfs/dbraw/zinc/27/21/54/570272154.db2.gz RAZCRXSGIQWMRS-UHFFFAOYSA-N -1 0 378.413 3.647 50 0 GHAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000002627738 570292280 /nfs/dbraw/zinc/29/22/80/570292280.db2.gz GBMGHPJYKNEAGN-UHFFFAOYSA-N -1 0 394.663 3.824 50 0 GHAARM CCOc1ccc2nc([N-]S(=O)(=O)c3cc(OC)ccc3OC)sc2c1 ZINC000002685040 570295123 /nfs/dbraw/zinc/29/51/23/570295123.db2.gz MBRONUPFNOKXQZ-UHFFFAOYSA-N -1 0 394.474 3.513 50 0 GHAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000003252567 570334368 /nfs/dbraw/zinc/33/43/68/570334368.db2.gz JCPVFSKGIIVYIS-UHFFFAOYSA-N -1 0 383.425 3.765 50 0 GHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)c1 ZINC000035378090 570346366 /nfs/dbraw/zinc/34/63/66/570346366.db2.gz LCVKBQIOZGFXOZ-UHFFFAOYSA-N -1 0 389.864 3.508 50 0 GHAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1OC ZINC000004976673 570387844 /nfs/dbraw/zinc/38/78/44/570387844.db2.gz AAQQOHHSCHBSLY-GOSISDBHSA-N -1 0 396.443 3.636 50 0 GHAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 ZINC000004660791 570390424 /nfs/dbraw/zinc/39/04/24/570390424.db2.gz NLTSVGOMLIZPGR-UHFFFAOYSA-N -1 0 383.853 3.635 50 0 GHAARM CC(C)[C@H](C(=O)[O-])C(=O)NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000220973858 570390930 /nfs/dbraw/zinc/39/09/30/570390930.db2.gz IRQWEUCLRQOOPC-HAVBXNNZSA-N -1 0 383.488 3.768 50 0 GHAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000033007134 570399306 /nfs/dbraw/zinc/39/93/06/570399306.db2.gz FFDVLNWOWANCPL-UHFFFAOYSA-N -1 0 392.452 3.561 50 0 GHAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000004740489 570400475 /nfs/dbraw/zinc/40/04/75/570400475.db2.gz ZJZZDMKBYSKYKJ-UHFFFAOYSA-N -1 0 396.468 3.889 50 0 GHAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCc2ccccc2C1 ZINC000004756986 570403694 /nfs/dbraw/zinc/40/36/94/570403694.db2.gz ZTLXXEUYNLFWCS-UHFFFAOYSA-N -1 0 392.480 3.686 50 0 GHAARM COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c(C(=O)[O-])cc1OC ZINC000004826100 570409109 /nfs/dbraw/zinc/40/91/09/570409109.db2.gz ZOPWTPRZLWGGHO-NSHDSACASA-N -1 0 393.823 3.770 50 0 GHAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCCCC3)[nH]c2C[C@@H]1C ZINC000004916922 570418321 /nfs/dbraw/zinc/41/83/21/570418321.db2.gz MHHZRJRWCRQQHM-LRDDRELGSA-N -1 0 375.465 3.757 50 0 GHAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000005127427 570422006 /nfs/dbraw/zinc/42/20/06/570422006.db2.gz XHEKOUWCXUFASW-UONOGXRCSA-N -1 0 386.473 3.652 50 0 GHAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000268936024 570477608 /nfs/dbraw/zinc/47/76/08/570477608.db2.gz HRMAYYRSPSLKPC-XYPHTWIQSA-N -1 0 386.423 3.658 50 0 GHAARM Cc1nc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])oc1-c1ccccc1 ZINC000268949479 570490126 /nfs/dbraw/zinc/49/01/26/570490126.db2.gz RROKMSCNZAJCBD-KURKYZTESA-N -1 0 382.460 3.827 50 0 GHAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC000030521585 570490514 /nfs/dbraw/zinc/49/05/14/570490514.db2.gz QJXJCQFHRSYVSM-HZPDHXFCSA-N -1 0 386.835 3.920 50 0 GHAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)OC(C)C ZINC000002748631 570512966 /nfs/dbraw/zinc/51/29/66/570512966.db2.gz PYBWIVRQHRNOEB-UONOGXRCSA-N -1 0 379.478 3.790 50 0 GHAARM CCc1oc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC)cc1C(=O)[O-] ZINC000261703004 570549874 /nfs/dbraw/zinc/54/98/74/570549874.db2.gz UBNKQVSYRQNBLU-MRXNPFEDSA-N -1 0 381.432 3.887 50 0 GHAARM COC(=O)c1ccc(O)c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000225737498 570611105 /nfs/dbraw/zinc/61/11/05/570611105.db2.gz MISOJVSNYNAYSO-UHFFFAOYSA-N -1 0 396.424 3.745 50 0 GHAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(Br)cc1)c3[O-] ZINC000200468610 570726410 /nfs/dbraw/zinc/72/64/10/570726410.db2.gz MUWOUNUJUARNFO-SNVBAGLBSA-N -1 0 399.244 3.839 50 0 GHAARM O=C([O-])c1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000000939391 570731093 /nfs/dbraw/zinc/73/10/93/570731093.db2.gz QXLAQXFNVMPEEW-UHFFFAOYSA-N -1 0 385.470 3.609 50 0 GHAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000036569675 570741063 /nfs/dbraw/zinc/74/10/63/570741063.db2.gz ULTKJZDJWCEROB-KRWDZBQOSA-N -1 0 386.860 3.948 50 0 GHAARM CCCCNC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000032778455 570811204 /nfs/dbraw/zinc/81/12/04/570811204.db2.gz OALRLYPGBOEVNZ-UHFFFAOYSA-N -1 0 393.321 3.621 50 0 GHAARM Cc1nc2[n-]c(CNc3ccccc3Cl)nn2c(=O)c1Cc1ccccc1 ZINC000101802751 570835339 /nfs/dbraw/zinc/83/53/39/570835339.db2.gz SWJPVMBSZJUHDA-UHFFFAOYSA-N -1 0 379.851 3.582 50 0 GHAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1 ZINC000101836834 570837198 /nfs/dbraw/zinc/83/71/98/570837198.db2.gz VZHMZRQXRLTOMB-IBGZPJMESA-N -1 0 388.427 3.681 50 0 GHAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1O ZINC000170597596 570855752 /nfs/dbraw/zinc/85/57/52/570855752.db2.gz CELHZDFIZZRQPD-UHFFFAOYSA-N -1 0 390.244 3.595 50 0 GHAARM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C ZINC000006706935 570860896 /nfs/dbraw/zinc/86/08/96/570860896.db2.gz BMCPBJCJCBLHSZ-UHFFFAOYSA-N -1 0 375.675 3.915 50 0 GHAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2F)c1 ZINC000102820707 570865948 /nfs/dbraw/zinc/86/59/48/570865948.db2.gz RIIAJZGQYBWQOV-GOSISDBHSA-N -1 0 392.390 3.566 50 0 GHAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2[n-]c1=S ZINC000103469678 570885218 /nfs/dbraw/zinc/88/52/18/570885218.db2.gz XKOSSMKQGGFNEK-UHFFFAOYSA-N -1 0 376.441 3.506 50 0 GHAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000071285242 570888011 /nfs/dbraw/zinc/88/80/11/570888011.db2.gz FMBJRVPRJNRNMJ-HZPDHXFCSA-N -1 0 388.370 3.512 50 0 GHAARM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000089851358 570917606 /nfs/dbraw/zinc/91/76/06/570917606.db2.gz NLUUNISRAMDIPK-KRWDZBQOSA-N -1 0 377.400 3.802 50 0 GHAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1c(F)cccc1F ZINC000252484721 570969466 /nfs/dbraw/zinc/96/94/66/570969466.db2.gz GFQLOTRCLYPCST-UHFFFAOYSA-N -1 0 393.440 3.697 50 0 GHAARM Cc1ccc(S(=O)(=O)[N-]n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000004770806 570976343 /nfs/dbraw/zinc/97/63/43/570976343.db2.gz GVBMREQSUUDPAB-UHFFFAOYSA-N -1 0 390.468 3.853 50 0 GHAARM CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095365714 571057821 /nfs/dbraw/zinc/05/78/21/571057821.db2.gz JDFHQCLPJHTJOK-IBGZPJMESA-N -1 0 397.471 3.820 50 0 GHAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095387572 571070855 /nfs/dbraw/zinc/07/08/55/571070855.db2.gz BSXIFZRXRXJELV-IBGZPJMESA-N -1 0 389.455 3.805 50 0 GHAARM O=C([O-])C1CCN(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000261813346 600555080 /nfs/dbraw/zinc/55/50/80/600555080.db2.gz WAVWECOQSGWEOX-UHFFFAOYSA-N -1 0 395.175 3.796 50 0 GHAARM