smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000017081215 210204125 /nfs/dbraw/zinc/20/41/25/210204125.db2.gz LXULDCFXHOSSLS-GHMZBOCLSA-N -1 0 397.283 4.722 50 0 GJAARM CC(=O)c1cnc([N-]c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc1C ZINC000016956632 210199982 /nfs/dbraw/zinc/19/99/82/210199982.db2.gz XHHXKTJRVGWKJJ-UHFFFAOYSA-N -1 0 389.846 4.995 50 0 GJAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000016839913 210198341 /nfs/dbraw/zinc/19/83/41/210198341.db2.gz LUXSPMCUXJOORW-UHFFFAOYSA-N -1 0 384.435 4.565 50 0 GJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1O ZINC000015082124 210152869 /nfs/dbraw/zinc/15/28/69/210152869.db2.gz KJSJBKGQCBKOQO-ZDUSSCGKSA-N -1 0 395.436 4.951 50 0 GJAARM COc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013074115 210049872 /nfs/dbraw/zinc/04/98/72/210049872.db2.gz IOIRVFIYFXTCCZ-UHFFFAOYSA-N -1 0 399.312 4.534 50 0 GJAARM COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)CCCC(=O)[O-] ZINC000005432709 209594651 /nfs/dbraw/zinc/59/46/51/209594651.db2.gz BDTLRIGWSHZMLI-UHFFFAOYSA-N -1 0 397.452 4.548 50 0 GJAARM O=C([O-])c1cc(-c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)ccc1Cl ZINC000003666338 209451972 /nfs/dbraw/zinc/45/19/72/209451972.db2.gz ZDOCFTSSXAJYRK-GZTJUZNOSA-N -1 0 393.782 4.643 50 0 GJAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(Br)cc1 ZINC000003018332 209405765 /nfs/dbraw/zinc/40/57/65/209405765.db2.gz CZUBFWBLUOMVIJ-UHFFFAOYSA-N -1 0 380.263 4.647 50 0 GJAARM CC[C@@H](C)C(=O)NC([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000002257108 209351968 /nfs/dbraw/zinc/35/19/68/209351968.db2.gz PSXHLVPSIBVITL-MRVPVSSYSA-N -1 0 376.728 4.735 50 0 GJAARM O=C(Nc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1)c1ccco1 ZINC000000802341 203854793 /nfs/dbraw/zinc/85/47/93/203854793.db2.gz RXCYDDYTPQLPDZ-UHFFFAOYSA-N -1 0 391.210 4.797 50 0 GJAARM O=C([O-])c1cccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)c1 ZINC000001143659 203888291 /nfs/dbraw/zinc/88/82/91/203888291.db2.gz KORJFUYIUKVFPN-UHFFFAOYSA-N -1 0 393.782 4.631 50 0 GJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)[O-])n1 ZINC000004715778 204067616 /nfs/dbraw/zinc/06/76/16/204067616.db2.gz CAQQFMWRTPRRBC-QPEQYQDCSA-N -1 0 396.255 4.898 50 0 GJAARM O=C([O-])c1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000004920280 204092037 /nfs/dbraw/zinc/09/20/37/204092037.db2.gz ZJBARWJIUOZMOL-UHFFFAOYSA-N -1 0 396.752 4.720 50 0 GJAARM Cc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000005748371 204150213 /nfs/dbraw/zinc/15/02/13/204150213.db2.gz XBEWACZSSADZMS-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM COc1ccc(Br)cc1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000005798242 204152050 /nfs/dbraw/zinc/15/20/50/204152050.db2.gz YRQHMJYEYJPUMR-XYOKQWHBSA-N -1 0 388.217 4.614 50 0 GJAARM CCCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(F)cc1 ZINC000006820546 204212513 /nfs/dbraw/zinc/21/25/13/204212513.db2.gz SKANJTZBZWVOOD-UHFFFAOYSA-N -1 0 388.826 4.644 50 0 GJAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000045796258 205097057 /nfs/dbraw/zinc/09/70/57/205097057.db2.gz RWGLUBLPUIVSPT-UTKZUKDTSA-N -1 0 392.842 4.770 50 0 GJAARM COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000046076472 205104679 /nfs/dbraw/zinc/10/46/79/205104679.db2.gz LUVQQYUZNMGEJI-INIZCTEOSA-N -1 0 379.437 4.596 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(F)c(C)c2)cc1C ZINC000064757575 205194314 /nfs/dbraw/zinc/19/43/14/205194314.db2.gz AKAHTRXDPNLVFE-UHFFFAOYSA-N -1 0 385.464 4.690 50 0 GJAARM Cc1cc(C)c2c(n1)sc1c2[n-]c(-c2ccc(Br)cc2)nc1=O ZINC000078549436 205375705 /nfs/dbraw/zinc/37/57/05/205375705.db2.gz YKNQWVICCFUPGB-UHFFFAOYSA-N -1 0 386.274 4.579 50 0 GJAARM CCc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000097036148 205581988 /nfs/dbraw/zinc/58/19/88/205581988.db2.gz JACSSXKRHFHBSC-UHFFFAOYSA-N -1 0 397.427 4.631 50 0 GJAARM CCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100534639 211388013 /nfs/dbraw/zinc/38/80/13/211388013.db2.gz HJMUVXBXIVGHAS-UHFFFAOYSA-N -1 0 384.863 4.803 50 0 GJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)s2)on1 ZINC000096323454 211334729 /nfs/dbraw/zinc/33/47/29/211334729.db2.gz IYXCBJQRPFDSPZ-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM O=C([O-])c1ccc(Nc2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000170621817 136199144 /nfs/dbraw/zinc/19/91/44/136199144.db2.gz ZSVOTLAXGOQEOX-UHFFFAOYSA-N -1 0 389.459 4.652 50 0 GJAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1cccc2cccnc21 ZINC000000648447 570214270 /nfs/dbraw/zinc/21/42/70/570214270.db2.gz ALDVBVVOAOOFIN-UHFFFAOYSA-N -1 0 376.437 4.828 50 0 GJAARM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000830893 570225615 /nfs/dbraw/zinc/22/56/15/570225615.db2.gz RAQOKQHKGMNVMC-UHFFFAOYSA-N -1 0 395.436 4.542 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170946 570244187 /nfs/dbraw/zinc/24/41/87/570244187.db2.gz VRCZPQMIJUQRQY-INIZCTEOSA-N -1 0 393.512 4.730 50 0 GJAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCC1 ZINC000001433288 570263217 /nfs/dbraw/zinc/26/32/17/570263217.db2.gz KTXGWSABCZHTNH-UHFFFAOYSA-N -1 0 379.456 4.703 50 0 GJAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])n2)cc1 ZINC000002091478 570274239 /nfs/dbraw/zinc/27/42/39/570274239.db2.gz VVSCFBOIOAMXIH-IAGOWNOFSA-N -1 0 384.501 4.758 50 0 GJAARM Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)[O-])n1C1CCCCC1 ZINC000003354127 570342353 /nfs/dbraw/zinc/34/23/53/570342353.db2.gz VDTZLNJJWRETCX-UHFFFAOYSA-N -1 0 395.912 4.501 50 0 GJAARM CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000027824540 570444223 /nfs/dbraw/zinc/44/42/23/570444223.db2.gz JMQKAQHPKCENNU-UHFFFAOYSA-N -1 0 382.913 4.722 50 0 GJAARM C[C@H](Sc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1)C(=O)[O-] ZINC000005587085 570447856 /nfs/dbraw/zinc/44/78/56/570447856.db2.gz PHFGYRUSSNJJHT-HNNXBMFYSA-N -1 0 389.480 4.577 50 0 GJAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccc1)-c1ccccc1CC3 ZINC000005729586 570453708 /nfs/dbraw/zinc/45/37/08/570453708.db2.gz MUYTVTYIMIQSDD-UHFFFAOYSA-N -1 0 376.506 4.934 50 0 GJAARM Cc1ccccc1[C@@H]1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)C1 ZINC000064588945 570489389 /nfs/dbraw/zinc/48/93/89/570489389.db2.gz BEZTUWVBANHPTP-QGZVFWFLSA-N -1 0 380.488 4.672 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccc(OCCC(C)C)cc3)nc(=O)c12 ZINC000006651851 570518664 /nfs/dbraw/zinc/51/86/64/570518664.db2.gz CQUCXESHTNTHHN-RMKNXTFCSA-N -1 0 398.484 4.587 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820282 570555503 /nfs/dbraw/zinc/55/55/03/570555503.db2.gz JDIZMEKAALZUGQ-UHFFFAOYSA-N -1 0 388.467 4.972 50 0 GJAARM Cc1c(Cl)cccc1Nc1c(-c2ccc(C(=O)[O-])cc2)nc2cnccn21 ZINC000035616238 570556298 /nfs/dbraw/zinc/55/62/98/570556298.db2.gz YOEYVFPPJICOGB-UHFFFAOYSA-N -1 0 378.819 4.800 50 0 GJAARM O=C([O-])c1ccc2c(c1)CCN2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071084621 570616532 /nfs/dbraw/zinc/61/65/32/570616532.db2.gz WMJWMIQUNMXTGK-UHFFFAOYSA-N -1 0 385.419 4.696 50 0 GJAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3ccccc3CC)c2)n1 ZINC000065116788 570700900 /nfs/dbraw/zinc/70/09/00/570700900.db2.gz GKKPKOSJMOIDTD-UHFFFAOYSA-N -1 0 378.544 4.797 50 0 GJAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003991758 570726448 /nfs/dbraw/zinc/72/64/48/570726448.db2.gz FODZCOVJUJBZAI-UHFFFAOYSA-N -1 0 395.105 4.865 50 0 GJAARM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccccn3)C12 ZINC000102752922 570862266 /nfs/dbraw/zinc/86/22/66/570862266.db2.gz CDAUPVNDJBUNPR-KZULUSFZSA-N -1 0 393.834 4.747 50 0 GJAARM O=S(=O)([N-]c1ccc(OC2CCCC2)c(Cl)c1)c1ccc(Cl)nc1 ZINC000089769885 570912120 /nfs/dbraw/zinc/91/21/20/570912120.db2.gz SONDVIDNNAJLGK-UHFFFAOYSA-N -1 0 387.288 4.511 50 0 GJAARM CC(C)N(C(=O)c1ccccc1-c1ccc(OC(C)(C)C(=O)[O-])cc1)C(C)C ZINC000534654297 570915179 /nfs/dbraw/zinc/91/51/79/570915179.db2.gz HOJHXFCJRVJJNI-UHFFFAOYSA-N -1 0 383.488 4.855 50 0 GJAARM C[C@@]1(C(=O)[O-])CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000135550204 570936662 /nfs/dbraw/zinc/93/66/62/570936662.db2.gz CCLBVWVASLVDGH-NFBKMPQASA-N -1 0 379.456 4.559 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)sc1C ZINC000033308410 570968263 /nfs/dbraw/zinc/96/82/63/570968263.db2.gz LODNTPGNDBIUBF-UHFFFAOYSA-N -1 0 394.543 4.688 50 0 GJAARM O=C([O-])C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240698 570994858 /nfs/dbraw/zinc/99/48/58/570994858.db2.gz WXHKKBWBBDRORH-MRXNPFEDSA-N -1 0 379.456 4.512 50 0 GJAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br ZINC000001427158 571001203 /nfs/dbraw/zinc/00/12/03/571001203.db2.gz NSJSFJIQHVKZSR-BBRMVZONSA-N -1 0 390.277 4.591 50 0 GJAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1cccc(C)c1 ZINC000015671527 571040048 /nfs/dbraw/zinc/04/00/48/571040048.db2.gz UBVDMWHKMIUEBN-UHFFFAOYSA-N -1 0 398.532 4.801 50 0 GJAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccc(Cl)cc4)c(=O)c32)C1 ZINC000017077116 210201852 /nfs/dbraw/zinc/20/18/52/210201852.db2.gz CBTFFZGSBCQPRL-SNVBAGLBSA-N -1 0 376.934 4.947 50 0 GJAARM CC[C@H](C)Sc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 ZINC000015723216 210164499 /nfs/dbraw/zinc/16/44/99/210164499.db2.gz FUYGNNMZBFXUJL-INIZCTEOSA-N -1 0 380.513 4.728 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000015081474 210152544 /nfs/dbraw/zinc/15/25/44/210152544.db2.gz CAUKDTWGBGSLHN-CQSZACIVSA-N -1 0 385.391 4.866 50 0 GJAARM CC(C)Sc1cccc(-c2nnc([N-]C(=O)c3cc(-c4ccco4)on3)o2)c1 ZINC000036709550 209847311 /nfs/dbraw/zinc/84/73/11/209847311.db2.gz GZWJXEDRWCGJRX-UHFFFAOYSA-N -1 0 396.428 4.737 50 0 GJAARM CC(C)n1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nnc(-c2ccccc2)o1 ZINC000007778793 209745496 /nfs/dbraw/zinc/74/54/96/209745496.db2.gz DXQUISMNORMJBM-UHFFFAOYSA-N -1 0 391.402 4.862 50 0 GJAARM CCCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002530035 209368586 /nfs/dbraw/zinc/36/85/86/209368586.db2.gz VRTIPYGJYHPEKN-INIZCTEOSA-N -1 0 381.472 4.949 50 0 GJAARM Cc1c2ccc(OCc3c(Cl)cccc3Cl)cc2oc(=O)c1CC(=O)[O-] ZINC000002149028 209348887 /nfs/dbraw/zinc/34/88/87/209348887.db2.gz MYXBPZIOYWOBJD-UHFFFAOYSA-N -1 0 393.222 4.614 50 0 biogenic GJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C(=O)[O-])c1 ZINC000000799528 209267152 /nfs/dbraw/zinc/26/71/52/209267152.db2.gz RFWOUCYBEZXBDI-RDTXWAMCSA-N -1 0 393.405 4.840 50 0 GJAARM Cc1ccc(C[C@@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@H](C)C(=O)[O-])cc1 ZINC000004698217 204065938 /nfs/dbraw/zinc/06/59/38/204065938.db2.gz DPGYGRXEBIESJS-JVJUCQNHSA-N -1 0 397.559 4.597 50 0 GJAARM O=S(=O)([N-]c1ncccc1OCc1ccccc1)c1ccc2ccccc2c1 ZINC000006057233 204162474 /nfs/dbraw/zinc/16/24/74/204162474.db2.gz RFNHEDFDECDQRD-UHFFFAOYSA-N -1 0 390.464 4.615 50 0 GJAARM Cc1cc(C)cc(NC(=O)[C@H](Oc2ccccc2C(=O)[O-])c2ccccc2)c1 ZINC000006508420 204181657 /nfs/dbraw/zinc/18/16/57/204181657.db2.gz GZHLVRRRMREXGM-OAQYLSRUSA-N -1 0 375.424 4.760 50 0 GJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc(F)cc2)n1 ZINC000006749007 204200152 /nfs/dbraw/zinc/20/01/52/204200152.db2.gz XGFVQHZLTSQTHG-UHFFFAOYSA-N -1 0 377.375 4.528 50 0 GJAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000007428310 204241562 /nfs/dbraw/zinc/24/15/62/204241562.db2.gz KAGZBXCAWDXEKS-UHFFFAOYSA-N -1 0 389.498 4.612 50 0 GJAARM CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)[O-])cc2)s1 ZINC000008721107 204285454 /nfs/dbraw/zinc/28/54/54/204285454.db2.gz RIACDNWUKYBBKO-UHFFFAOYSA-N -1 0 387.486 4.671 50 0 GJAARM O=C([O-])CCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560010 209171436 /nfs/dbraw/zinc/17/14/36/209171436.db2.gz QZQXRZXYWVQWAY-UHFFFAOYSA-N -1 0 381.472 4.950 50 0 in-vitro GJAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920401 205200248 /nfs/dbraw/zinc/20/02/48/205200248.db2.gz HSTDRFAIZQBAPO-UHFFFAOYSA-N -1 0 395.893 4.520 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004008 205205992 /nfs/dbraw/zinc/20/59/92/205205992.db2.gz DGWQPZLALOEJCU-UHFFFAOYSA-N -1 0 380.878 4.735 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)s2)c1C ZINC000065031363 205206828 /nfs/dbraw/zinc/20/68/28/205206828.db2.gz FLUPSSRPKLGQRR-UHFFFAOYSA-N -1 0 386.857 4.613 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c(C)c1 ZINC000065112496 205211127 /nfs/dbraw/zinc/21/11/27/205211127.db2.gz SFSDOXWOMIRWKF-UHFFFAOYSA-N -1 0 375.519 4.610 50 0 GJAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)n1 ZINC000065116800 205211547 /nfs/dbraw/zinc/21/15/47/205211547.db2.gz ZTXHVJLHVFXNFL-UHFFFAOYSA-N -1 0 382.507 4.682 50 0 GJAARM CC(C)c1ccccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)CCCC3 ZINC000065150386 205212744 /nfs/dbraw/zinc/21/27/44/205212744.db2.gz CQAJEVXKVHMQCG-UHFFFAOYSA-N -1 0 382.485 4.550 50 0 GJAARM CC(C)c1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@H](C)CC4)c1 ZINC000065150512 205212804 /nfs/dbraw/zinc/21/28/04/205212804.db2.gz ZWNOXLSPPAPTGT-GFCCVEGCSA-N -1 0 396.512 4.796 50 0 GJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c1 ZINC000064797329 205195454 /nfs/dbraw/zinc/19/54/54/205195454.db2.gz GIXVIRUXHGPASO-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347856 206183239 /nfs/dbraw/zinc/18/32/39/206183239.db2.gz WMUMZOAFCDOTRW-RCADRCRZSA-N -1 0 390.564 4.686 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F ZINC000098072701 211378122 /nfs/dbraw/zinc/37/81/22/211378122.db2.gz DVEGMOAOKUQHTP-UHFFFAOYSA-N -1 0 399.068 4.696 50 0 GJAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100498460 211387265 /nfs/dbraw/zinc/38/72/65/211387265.db2.gz KVWPGHZGRLNDEQ-UHFFFAOYSA-N -1 0 384.863 4.803 50 0 GJAARM O=C([O-])/C(=C\c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000074921887 211127845 /nfs/dbraw/zinc/12/78/45/211127845.db2.gz QYKJHRNYJRVXQS-HYARGMPZSA-N -1 0 385.419 4.651 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(CC)cc2)cc1 ZINC000067244840 211005014 /nfs/dbraw/zinc/00/50/14/211005014.db2.gz IOCBLGMCKHUNHN-UHFFFAOYSA-N -1 0 381.501 4.751 50 0 GJAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557096 210691892 /nfs/dbraw/zinc/69/18/92/210691892.db2.gz QNLCJNBSVPGYCZ-UHFFFAOYSA-N -1 0 395.893 4.520 50 0 GJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000064670206 222078572 /nfs/dbraw/zinc/07/85/72/222078572.db2.gz JTORDXKIBUZIDN-UHFFFAOYSA-N -1 0 388.514 4.626 50 0 GJAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000009378644 527545841 /nfs/dbraw/zinc/54/58/41/527545841.db2.gz NACJMBKMLHMNCF-UHFFFAOYSA-N -1 0 396.299 4.597 50 0 GJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000000842077 570226060 /nfs/dbraw/zinc/22/60/60/570226060.db2.gz JNLADQBGUSGWRI-HSZRJFAPSA-N -1 0 384.435 4.615 50 0 GJAARM O=C([O-])c1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000000955639 570231518 /nfs/dbraw/zinc/23/15/18/570231518.db2.gz JUGOTTYAOJSZGG-UHFFFAOYSA-N -1 0 396.855 4.525 50 0 GJAARM CCCCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000006072811 570234666 /nfs/dbraw/zinc/23/46/66/570234666.db2.gz PWNOXKWORSPIGK-UHFFFAOYSA-N -1 0 380.517 4.757 50 0 GJAARM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1csc([N-]c2ncccn2)n1 ZINC000049032242 570261456 /nfs/dbraw/zinc/26/14/56/570261456.db2.gz DHCQMSULFARMNE-UHFFFAOYSA-N -1 0 385.452 4.500 50 0 GJAARM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000006210630 570262214 /nfs/dbraw/zinc/26/22/14/570262214.db2.gz RVQVNUXKBCJHJY-MLPAPPSSSA-N -1 0 395.629 4.665 50 0 GJAARM CCO[C@@H](Nc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000002044292 570272469 /nfs/dbraw/zinc/27/24/69/570272469.db2.gz BPOMPTVRBWXZBY-JOCHJYFZSA-N -1 0 375.424 4.709 50 0 in-man GJAARM O=C(C=C([O-])c1cccc(Br)c1)c1cccc(Br)c1 ZINC000100801778 570278232 /nfs/dbraw/zinc/27/82/32/570278232.db2.gz WJJFWXGQAHZWCR-UHFFFAOYSA-N -1 0 382.051 4.667 50 0 GJAARM CC(C)(C)c1ccc(Cc2nnc(SCc3cccc(F)c3)[n-]c2=O)cc1 ZINC000024747886 570390990 /nfs/dbraw/zinc/39/09/90/570390990.db2.gz AQAORESIVZBYCX-UHFFFAOYSA-N -1 0 383.492 4.897 50 0 GJAARM CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c2ccccc12 ZINC000011613990 570537125 /nfs/dbraw/zinc/53/71/25/570537125.db2.gz QAPIKRGCSOFYCX-UHFFFAOYSA-N -1 0 399.468 4.518 50 0 GJAARM CCOc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795350 570546374 /nfs/dbraw/zinc/54/63/74/570546374.db2.gz OGYWVQVROCEMKO-MRXNPFEDSA-N -1 0 393.464 4.986 50 0 GJAARM O=C([O-])[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000035529464 570554181 /nfs/dbraw/zinc/55/41/81/570554181.db2.gz JBZXLQHJZHITMW-ITEAAPOESA-N -1 0 391.467 4.653 50 0 GJAARM CCCCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044197610 570632695 /nfs/dbraw/zinc/63/26/95/570632695.db2.gz VRTIPYGJYHPEKN-MRXNPFEDSA-N -1 0 381.472 4.949 50 0 GJAARM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004215 570644392 /nfs/dbraw/zinc/64/43/92/570644392.db2.gz PCVOJZCEPMAFQJ-UHFFFAOYSA-N -1 0 396.440 4.750 50 0 GJAARM CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)s1 ZINC000012395272 570652736 /nfs/dbraw/zinc/65/27/36/570652736.db2.gz OBCYPYNGIWRUEL-UHFFFAOYSA-N -1 0 395.406 4.703 50 0 GJAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000065112619 570702260 /nfs/dbraw/zinc/70/22/60/570702260.db2.gz UJPSPLUVQPTQQU-UHFFFAOYSA-N -1 0 393.559 4.544 50 0 GJAARM O=C([O-])c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1 ZINC000000887986 570708170 /nfs/dbraw/zinc/70/81/70/570708170.db2.gz WGVDZIQTPGVFGG-UHFFFAOYSA-N -1 0 381.815 4.870 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)cs1 ZINC000065138147 570708412 /nfs/dbraw/zinc/70/84/12/570708412.db2.gz JYYRXPFNFCMJHB-UHFFFAOYSA-N -1 0 384.935 4.943 50 0 GJAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cccs2)on1 ZINC000002497914 570720285 /nfs/dbraw/zinc/72/02/85/570720285.db2.gz KTVHTNVQGATMJZ-UHFFFAOYSA-N -1 0 376.459 4.510 50 0 GJAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615763 570751078 /nfs/dbraw/zinc/75/10/78/570751078.db2.gz GRJRSQORLNQKFV-UHFFFAOYSA-N -1 0 399.328 4.502 50 0 GJAARM O=C([O-])c1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)s1 ZINC000038002129 570816294 /nfs/dbraw/zinc/81/62/94/570816294.db2.gz ZYVNHMOIABMPRB-UHFFFAOYSA-N -1 0 383.654 4.715 50 0 GJAARM COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3cccs3)CC(=O)C21 ZINC000102754476 570862102 /nfs/dbraw/zinc/86/21/02/570862102.db2.gz CCSNQPQREKKEIN-BBATYDOGSA-N -1 0 394.456 4.769 50 0 GJAARM COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3cccs3)CC(=O)C21 ZINC000102754478 570862348 /nfs/dbraw/zinc/86/23/48/570862348.db2.gz CCSNQPQREKKEIN-VOJFVSQTSA-N -1 0 394.456 4.769 50 0 GJAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1O ZINC000015082126 570879587 /nfs/dbraw/zinc/87/95/87/570879587.db2.gz KJSJBKGQCBKOQO-CYBMUJFWSA-N -1 0 395.436 4.951 50 0 GJAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC000226851972 570936684 /nfs/dbraw/zinc/93/66/84/570936684.db2.gz KBVPLVCXWSYUCV-FQEVSTJZSA-N -1 0 391.423 4.643 50 0 GJAARM C[C@@]1(C(=O)[O-])CCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000135550165 570936733 /nfs/dbraw/zinc/93/67/33/570936733.db2.gz CCLBVWVASLVDGH-NZQKXSOJSA-N -1 0 379.456 4.559 50 0 GJAARM Cc1c2ccc(OCc3cccc(Cl)c3)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002092882 570940432 /nfs/dbraw/zinc/94/04/32/570940432.db2.gz FIKAIHWPPMSIRV-UHFFFAOYSA-N -1 0 386.831 4.659 50 0 biogenic GJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000001244971 570949693 /nfs/dbraw/zinc/94/96/93/570949693.db2.gz WPRGAEQMKPNKCQ-QGZVFWFLSA-N -1 0 391.254 4.536 50 0 GJAARM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053358 571015240 /nfs/dbraw/zinc/01/52/40/571015240.db2.gz FXNXMXOLQRZSCO-UHFFFAOYSA-N -1 0 394.858 4.927 50 0 GJAARM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057793 571017616 /nfs/dbraw/zinc/01/76/16/571017616.db2.gz MTFCKWVOWORAEC-AWEZNQCLSA-N -1 0 399.903 4.821 50 0 GJAARM CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000095630166 571093834 /nfs/dbraw/zinc/09/38/34/571093834.db2.gz BCFOJZGWYJDLQJ-NRFANRHFSA-N -1 0 381.472 4.805 50 0 GJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000006251470 209639611 /nfs/dbraw/zinc/63/96/11/209639611.db2.gz OMZRYNOJVXGJHV-UHFFFAOYSA-N -1 0 377.625 4.653 50 0 GJAARM O=C([O-])CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000002541363 209369406 /nfs/dbraw/zinc/36/94/06/209369406.db2.gz JQJOWILVGOJWJF-UHFFFAOYSA-N -1 0 393.483 4.950 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002754732 209382887 /nfs/dbraw/zinc/38/28/87/209382887.db2.gz KYLLGCLZUYTHTL-SJORKVTESA-N -1 0 378.453 4.569 50 0 GJAARM O=c1[n-]c(Nc2cccc(C(F)(F)F)c2)nnc1Cc1ccccc1Cl ZINC000002718991 209379125 /nfs/dbraw/zinc/37/91/25/209379125.db2.gz RHIGUADSTFDEOH-UHFFFAOYSA-N -1 0 380.757 4.584 50 0 GJAARM CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21 ZINC000001540632 209332593 /nfs/dbraw/zinc/33/25/93/209332593.db2.gz ZZUKALQMHNSWTK-UHFFFAOYSA-N -1 0 380.484 4.982 50 0 in-vitro GJAARM COc1ccc(Br)cc1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000096867705 209241761 /nfs/dbraw/zinc/24/17/61/209241761.db2.gz YRQHMJYEYJPUMR-WQLSENKSSA-N -1 0 388.217 4.614 50 0 GJAARM CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c([O-])c(C=O)c21 ZINC000001155562 209226997 /nfs/dbraw/zinc/22/69/97/209226997.db2.gz WNBGEQYHSUPDGN-UHFFFAOYSA-N -1 0 389.201 4.557 50 0 GJAARM O=C([O-])c1ccc(NC(=O)CSC2c3ccccc3Oc3ccccc32)cc1 ZINC000001110297 203884771 /nfs/dbraw/zinc/88/47/71/203884771.db2.gz DVDRLCOHRHUAGU-UHFFFAOYSA-N -1 0 391.448 4.952 50 0 GJAARM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC2CCCC2)cc1 ZINC000004694318 204065067 /nfs/dbraw/zinc/06/50/67/204065067.db2.gz PNLRZNSTMBNSOY-IBGZPJMESA-N -1 0 387.863 4.607 50 0 GJAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccs1)C(=O)CC(C)(C)C3 ZINC000004735753 204071122 /nfs/dbraw/zinc/07/11/22/204071122.db2.gz RQDQJGVIXRPANB-UHFFFAOYSA-N -1 0 389.498 4.759 50 0 GJAARM Cc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccccc5n4)nc3C2)cc1 ZINC000004487076 204047450 /nfs/dbraw/zinc/04/74/50/204047450.db2.gz FIVFRQSTZHYZFW-QGZVFWFLSA-N -1 0 395.466 4.693 50 0 GJAARM CCCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1cccc(C)c1 ZINC000004920480 204092756 /nfs/dbraw/zinc/09/27/56/204092756.db2.gz KBFAWRBDZLWLAD-UHFFFAOYSA-N -1 0 384.863 4.814 50 0 GJAARM CCOCCCn1c(=O)c2c(-c3ccccc3Cl)csc2[n-]c1=S ZINC000005929627 204156903 /nfs/dbraw/zinc/15/69/03/204156903.db2.gz TZWWTLYCUDJEIJ-UHFFFAOYSA-N -1 0 380.922 4.868 50 0 GJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(Cl)cc2)C1 ZINC000006429604 204178816 /nfs/dbraw/zinc/17/88/16/204178816.db2.gz FRJRNYLAKZNLHP-RVDMUPIBSA-N -1 0 378.859 4.963 50 0 GJAARM Cc1cc(C)cc(NC(=O)[C@@H](Oc2ccccc2C(=O)[O-])c2ccccc2)c1 ZINC000006508422 204181216 /nfs/dbraw/zinc/18/12/16/204181216.db2.gz GZHLVRRRMREXGM-NRFANRHFSA-N -1 0 375.424 4.760 50 0 GJAARM CCOc1cc2c(cc1/C=C(\CC(=O)[O-])c1nc3ccccc3o1)O[C@@H](C)C2 ZINC000007001043 204228979 /nfs/dbraw/zinc/22/89/79/204228979.db2.gz DDPWTARHBUWLPQ-WFSQQTBHSA-N -1 0 379.412 4.565 50 0 GJAARM CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000008714684 204284409 /nfs/dbraw/zinc/28/44/09/204284409.db2.gz ZUMDVEWZSWKKDB-UHFFFAOYSA-N -1 0 389.304 4.677 50 0 GJAARM Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2cccs2)c2c1CCC2 ZINC000012340631 204399451 /nfs/dbraw/zinc/39/94/51/204399451.db2.gz HWVTVEIGLOXUBG-UHFFFAOYSA-N -1 0 386.498 4.533 50 0 GJAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000253498908 211992865 /nfs/dbraw/zinc/99/28/65/211992865.db2.gz CVNYHSDFZXHMMJ-WILSFYJISA-N -1 0 390.564 4.686 50 0 GJAARM O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063809468 205187654 /nfs/dbraw/zinc/18/76/54/205187654.db2.gz OABKFUBZVHIRLC-INIZCTEOSA-N -1 0 385.876 4.532 50 0 GJAARM O=c1nc(CN2CCc3sccc3[C@H]2c2ccccc2)[n-]c2ccsc21 ZINC000058175553 205167882 /nfs/dbraw/zinc/16/78/82/205167882.db2.gz JSWQTRHYXRRDRT-GOSISDBHSA-N -1 0 379.510 4.606 50 0 GJAARM CSc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c1 ZINC000064845503 205198667 /nfs/dbraw/zinc/19/86/67/205198667.db2.gz HSROPHJADKILAT-UHFFFAOYSA-N -1 0 394.543 4.851 50 0 GJAARM CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000031903883 206088903 /nfs/dbraw/zinc/08/89/03/206088903.db2.gz FVFRBWNHXYONBP-UHFFFAOYSA-N -1 0 399.468 4.518 50 0 GJAARM Cc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)o1 ZINC000096116341 206118478 /nfs/dbraw/zinc/11/84/78/206118478.db2.gz VHICKUSCSQDLHF-AWEZNQCLSA-N -1 0 388.375 4.508 50 0 biogenic GJAARM CSc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253396009 206145649 /nfs/dbraw/zinc/14/56/49/206145649.db2.gz ASRILLBJZIBZGO-GOSISDBHSA-N -1 0 390.460 4.786 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000253530081 206149721 /nfs/dbraw/zinc/14/97/21/206149721.db2.gz CVNYHSDFZXHMMJ-CBPKPPHUSA-N -1 0 390.564 4.686 50 0 biogenic GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccs2)CC(=O)N3)cc1 ZINC000064797069 210948245 /nfs/dbraw/zinc/94/82/45/210948245.db2.gz KNQZQUAYAVAEJF-LBPRGKRZSA-N -1 0 385.466 4.658 50 0 GJAARM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046056790 210832777 /nfs/dbraw/zinc/83/27/77/210832777.db2.gz GPBCHXWRGKCNCC-SFHVURJKSA-N -1 0 399.450 4.852 50 0 GJAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000041701956 210800291 /nfs/dbraw/zinc/80/02/91/210800291.db2.gz XHSIQBBMUSBJOO-PZJWPPBQSA-N -1 0 379.456 4.559 50 0 GJAARM O=C([O-])C1(C[C@@H]2CCCCO2)CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC000071763195 136166361 /nfs/dbraw/zinc/16/63/61/136166361.db2.gz VCHJKPQWUDDZTK-INIZCTEOSA-N -1 0 388.895 4.519 50 0 GJAARM O=C(Nc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1)c1ccco1 ZINC000000802335 570224412 /nfs/dbraw/zinc/22/44/12/570224412.db2.gz QHGXTJCHSALSIV-UHFFFAOYSA-N -1 0 391.210 4.797 50 0 GJAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC000001036845 570236947 /nfs/dbraw/zinc/23/69/47/570236947.db2.gz BWQQGHPODCJZDB-NRFANRHFSA-N -1 0 379.456 4.559 50 0 GJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2C)c1=O ZINC000100450358 570272519 /nfs/dbraw/zinc/27/25/19/570272519.db2.gz HKJIXXULICYKEF-UHFFFAOYSA-N -1 0 378.472 4.766 50 0 GJAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21 ZINC000100543087 570273082 /nfs/dbraw/zinc/27/30/82/570273082.db2.gz ATFGEMABSPXCTL-UHFFFAOYSA-N -1 0 399.878 4.588 50 0 GJAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCCC)cc2)c1=O ZINC000100658316 570274277 /nfs/dbraw/zinc/27/42/77/570274277.db2.gz FRJDLHUUGOCTIZ-UHFFFAOYSA-N -1 0 394.471 4.548 50 0 GJAARM O=C([O-])c1ccccc1-c1ccc(Cn2nnc3cc4ccccc4cc32)cc1 ZINC000000629141 570277952 /nfs/dbraw/zinc/27/79/52/570277952.db2.gz WLJQYQZFPZWXIA-UHFFFAOYSA-N -1 0 379.419 4.998 50 0 GJAARM C[C@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000003656731 570349725 /nfs/dbraw/zinc/34/97/25/570349725.db2.gz AVGDWGMFCDQOOP-AWEZNQCLSA-N -1 0 392.480 4.907 50 0 GJAARM O=c1oc2ccccc2c([O-])c1-c1c(-c2ccc(F)c(F)c2)nc2ccccn21 ZINC000604419196 570363029 /nfs/dbraw/zinc/36/30/29/570363029.db2.gz GSUJBWKQUXPBPO-UHFFFAOYSA-N -1 0 390.345 4.759 50 0 GJAARM Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1O ZINC000008190300 570364494 /nfs/dbraw/zinc/36/44/94/570364494.db2.gz IHUABNIXOKMGSG-UHFFFAOYSA-N -1 0 394.858 4.788 50 0 GJAARM CC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004297044 570366141 /nfs/dbraw/zinc/36/61/41/570366141.db2.gz WAWFBHQBODDYDY-UHFFFAOYSA-N -1 0 389.473 4.866 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000004651937 570389700 /nfs/dbraw/zinc/38/97/00/570389700.db2.gz HWHYSSATNZEECJ-XDNAFOTISA-N -1 0 398.528 4.927 50 0 GJAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1 ZINC000005023127 570400126 /nfs/dbraw/zinc/40/01/26/570400126.db2.gz FXMNXWJUZHQNCK-HXUWFJFHSA-N -1 0 398.890 4.835 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005094687 570416824 /nfs/dbraw/zinc/41/68/24/570416824.db2.gz PWIGSLKLZDUOPX-DLBZAZTESA-N -1 0 380.469 4.793 50 0 GJAARM Cc1cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)[O-] ZINC000521396597 570418045 /nfs/dbraw/zinc/41/80/45/570418045.db2.gz MSQVKDCJRFUWAC-UHFFFAOYSA-N -1 0 387.435 4.732 50 0 GJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)c(Cl)c1 ZINC000025781603 570419434 /nfs/dbraw/zinc/41/94/34/570419434.db2.gz RZTYWYXRZJDRKG-UHFFFAOYSA-N -1 0 395.615 4.793 50 0 GJAARM CN(C[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000242649101 570456859 /nfs/dbraw/zinc/45/68/59/570456859.db2.gz RUPNBZQCCALWQZ-QAQDUYKDSA-N -1 0 393.483 4.758 50 0 GJAARM CCOc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000006429641 570479973 /nfs/dbraw/zinc/47/99/73/570479973.db2.gz NCRHWNDCPOBTAP-GHRIWEEISA-N -1 0 388.467 4.708 50 0 GJAARM Cc1ccccc1[C@H]1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)C1 ZINC000064588946 570489376 /nfs/dbraw/zinc/48/93/76/570489376.db2.gz BEZTUWVBANHPTP-KRWDZBQOSA-N -1 0 380.488 4.672 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002736122 570511934 /nfs/dbraw/zinc/51/19/34/570511934.db2.gz NSTQVJHUSUXFQI-IAGOWNOFSA-N -1 0 384.501 4.813 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2)CC(=O)N3)cc1 ZINC000064796660 570546901 /nfs/dbraw/zinc/54/69/01/570546901.db2.gz OKVFLRZZOBLSRY-OAHLLOKOSA-N -1 0 379.437 4.596 50 0 GJAARM CCN(C(=O)Cc1c2ccccc2n(CC)c1C(=O)[O-])c1cccc(Cl)c1 ZINC000006720678 570549545 /nfs/dbraw/zinc/54/95/45/570549545.db2.gz RECUCEQPKZWCOT-UHFFFAOYSA-N -1 0 384.863 4.608 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000003022446 570594153 /nfs/dbraw/zinc/59/41/53/570594153.db2.gz XBUCOXDSVARZQW-UHFFFAOYSA-N -1 0 389.480 4.649 50 0 GJAARM O=S(=O)([N-]c1ccccc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004298 570644675 /nfs/dbraw/zinc/64/46/75/570644675.db2.gz KVDVIRNUHWOIIM-UHFFFAOYSA-N -1 0 378.450 4.611 50 0 GJAARM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000685944985 570675243 /nfs/dbraw/zinc/67/52/43/570675243.db2.gz MRZHIJMZPDBNIT-PUCZYUMASA-N -1 0 393.483 4.661 50 0 GJAARM CCCCN(CC)C(=O)c1cc(Cl)cc(C(=O)N(CC)CCCC)c1[O-] ZINC000241231255 570686606 /nfs/dbraw/zinc/68/66/06/570686606.db2.gz KTIUNKMSKSWDPG-UHFFFAOYSA-N -1 0 382.932 4.570 50 0 GJAARM O=C([O-])CC1C[C@H]2CC[C@@H](C1)N2C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000118805072 570700636 /nfs/dbraw/zinc/70/06/36/570700636.db2.gz DXGWEXMELMDRRO-ALOPSCKCSA-N -1 0 391.467 4.653 50 0 GJAARM O=c1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)[n-]c2ccsc21 ZINC000058175556 570716379 /nfs/dbraw/zinc/71/63/79/570716379.db2.gz JSWQTRHYXRRDRT-SFHVURJKSA-N -1 0 379.510 4.606 50 0 GJAARM CC1([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CCCCC1 ZINC000394665728 570796307 /nfs/dbraw/zinc/79/63/07/570796307.db2.gz IFIPWXDCTFSSKZ-OAQYLSRUSA-N -1 0 393.483 4.949 50 0 GJAARM Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)[n-]c2=O)cc1 ZINC000032778592 570811247 /nfs/dbraw/zinc/81/12/47/570811247.db2.gz FHNYUVQJNKEMGD-UHFFFAOYSA-N -1 0 388.290 4.607 50 0 GJAARM O=S(=O)([N-]c1ccccc1-c1ccc2ccccc2n1)c1cccc(F)c1 ZINC000033113750 570812258 /nfs/dbraw/zinc/81/22/58/570812258.db2.gz UQZUIONNNWBBIH-UHFFFAOYSA-N -1 0 378.428 4.842 50 0 GJAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000012540115 570838948 /nfs/dbraw/zinc/83/89/48/570838948.db2.gz KPOFPJUIUNNGDF-UHFFFAOYSA-N -1 0 391.477 4.977 50 0 GJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccccc3F)cc2[n-]c1=S ZINC000003631135 570879581 /nfs/dbraw/zinc/87/95/81/570879581.db2.gz ARCDJLJLKCXOKL-UHFFFAOYSA-N -1 0 385.464 4.641 50 0 GJAARM O=C([O-])CC[C@@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000217020506 570894880 /nfs/dbraw/zinc/89/48/80/570894880.db2.gz WBEPFERYCYWNOI-KSFYIVLOSA-N -1 0 393.483 4.949 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)n1 ZINC000033289989 570960763 /nfs/dbraw/zinc/96/07/63/570960763.db2.gz ZEGSDBSKQNYEBS-UHFFFAOYSA-N -1 0 382.507 4.737 50 0 GJAARM Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)[N-]c3ccccc3)n2)cc1 ZINC000033307101 570967133 /nfs/dbraw/zinc/96/71/33/570967133.db2.gz NTUPIKLDATZEHM-UHFFFAOYSA-N -1 0 391.452 4.513 50 0 GJAARM Cc1nc2[n-]c(SCc3ccccc3Cl)nn2c(=O)c1Cc1ccccc1 ZINC000018029808 210211516 /nfs/dbraw/zinc/21/15/16/210211516.db2.gz XNQUKJXUULMINI-UHFFFAOYSA-N -1 0 396.903 4.675 50 0 GJAARM Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)SC(C)=N2 ZINC000015107534 210153232 /nfs/dbraw/zinc/15/32/32/210153232.db2.gz AWYOCMWRIHVDKF-GOSISDBHSA-N -1 0 381.432 4.904 50 0 GJAARM CCn1c2ccc(C(=O)[O-])cc2nc1/C(Cl)=C/c1cc(OC)cc(OC)c1 ZINC000013055644 210048755 /nfs/dbraw/zinc/04/87/55/210048755.db2.gz FBSUUYYGWZKKPB-SXGWCWSVSA-N -1 0 386.835 4.509 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002740381 209380565 /nfs/dbraw/zinc/38/05/65/209380565.db2.gz JNGKOQKJZPTSNE-SJORKVTESA-N -1 0 378.453 4.569 50 0 GJAARM CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])n2)cc1 ZINC000002091479 209346418 /nfs/dbraw/zinc/34/64/18/209346418.db2.gz VVSCFBOIOAMXIH-IRXDYDNUSA-N -1 0 384.501 4.758 50 0 GJAARM CSC(=O)c1c(CC(C)C)c(C(=O)[S-])c(C(F)(F)F)nc1C(F)F ZINC000000718848 209262261 /nfs/dbraw/zinc/26/22/61/209262261.db2.gz YEMGRVGOIVMOPF-UHFFFAOYSA-N -1 0 387.395 4.810 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C(=Cc3cccs3)c3ccccc3)nc(=O)c12 ZINC000096920062 209241549 /nfs/dbraw/zinc/24/15/49/209241549.db2.gz BGPKHFNTBJVUAP-GXDHUFHOSA-N -1 0 394.477 4.642 50 0 GJAARM COc1ccc(-c2coc3c2cc2c(C)c(CCC(=O)[O-])c(=O)oc2c3C)cc1 ZINC000002137172 203823881 /nfs/dbraw/zinc/82/38/81/203823881.db2.gz SHLLZCKYJGBICK-UHFFFAOYSA-N -1 0 392.407 4.849 50 0 biogenic GJAARM COc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000003344878 204000674 /nfs/dbraw/zinc/00/06/74/204000674.db2.gz UVFHUIYCRWCFMV-XNTDXEJSSA-N -1 0 388.832 4.616 50 0 GJAARM O=C([O-])c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 ZINC000004703567 204066655 /nfs/dbraw/zinc/06/66/55/204066655.db2.gz VQUMNCICCIYPIM-UHFFFAOYSA-N -1 0 388.467 4.501 50 0 GJAARM CCc1nnc([N-]c2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)s1 ZINC000005508764 204137536 /nfs/dbraw/zinc/13/75/36/204137536.db2.gz UECNMPZGONIHKZ-UHFFFAOYSA-N -1 0 392.444 4.614 50 0 GJAARM O=C([O-])c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000006751054 204199166 /nfs/dbraw/zinc/19/91/66/204199166.db2.gz GWXHRDYSDCZOHD-UHFFFAOYSA-N -1 0 393.443 4.609 50 0 GJAARM Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000006751058 204200030 /nfs/dbraw/zinc/20/00/30/204200030.db2.gz VKFXIEAJLWJYPS-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM O=c1[n-]c(Nc2cccc(C(F)(F)F)c2)nnc1Cc1ccc(Cl)cc1 ZINC000008741217 204287500 /nfs/dbraw/zinc/28/75/00/204287500.db2.gz WDAIYLCUOLLENP-UHFFFAOYSA-N -1 0 380.757 4.584 50 0 GJAARM Cc1ccc(C)c(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)[O-])c3)cc2)c1 ZINC000009356484 204308422 /nfs/dbraw/zinc/30/84/22/204308422.db2.gz PHDXMZVWNGATGB-UHFFFAOYSA-N -1 0 397.452 4.595 50 0 GJAARM Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395952 204405192 /nfs/dbraw/zinc/40/51/92/204405192.db2.gz IBAJNSURVSGOMV-UHFFFAOYSA-N -1 0 377.831 4.807 50 0 GJAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004496 205206416 /nfs/dbraw/zinc/20/64/16/205206416.db2.gz XZXUNCANTKXKNS-UHFFFAOYSA-N -1 0 392.477 4.919 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(F)c2)CC(=O)N3)cc1 ZINC000064797016 205195335 /nfs/dbraw/zinc/19/53/35/205195335.db2.gz DBLWPUAZXDKFKM-OAHLLOKOSA-N -1 0 397.427 4.735 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000064795639 205195879 /nfs/dbraw/zinc/19/58/79/205195879.db2.gz CMWYTOPYEGKNNR-AWEZNQCLSA-N -1 0 399.855 4.946 50 0 GJAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820737 205197178 /nfs/dbraw/zinc/19/71/78/205197178.db2.gz BLJSTUHSQFQXTH-UHFFFAOYSA-N -1 0 394.858 4.927 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845734 205198327 /nfs/dbraw/zinc/19/83/27/205198327.db2.gz DUHYFKJRJQPNNB-UHFFFAOYSA-N -1 0 390.530 5.000 50 0 GJAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000253498896 206148692 /nfs/dbraw/zinc/14/86/92/206148692.db2.gz CVNYHSDFZXHMMJ-BHTBHJQUSA-N -1 0 390.564 4.686 50 0 GJAARM Cc1ccc([C@@H]2Cc3c(C(=O)[O-])c(=O)cc(C)n3-c3ccccc3S2)s1 ZINC000299755663 206184749 /nfs/dbraw/zinc/18/47/49/206184749.db2.gz BKIVFTYCAYOMCT-SFHVURJKSA-N -1 0 383.494 4.604 50 0 GJAARM O=C([O-])c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CCOCC1 ZINC000299802363 206192882 /nfs/dbraw/zinc/19/28/82/206192882.db2.gz LBZBAQFPNXQVTM-UHFFFAOYSA-N -1 0 390.464 4.651 50 0 GJAARM O=C([O-])C/C(=C/c1cc(F)c(O)c(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000095964092 211288878 /nfs/dbraw/zinc/28/88/78/211288878.db2.gz AQMLMQJUCLKVMG-OQFOIZHKSA-N -1 0 381.787 4.949 50 0 GJAARM CCSc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)s1 ZINC000095382316 211232002 /nfs/dbraw/zinc/23/20/02/211232002.db2.gz BGDCZLRPWDAQHG-OAHLLOKOSA-N -1 0 375.515 4.578 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@H](C(=O)[O-])C4)cc3)sc2c1 ZINC000085388480 211176543 /nfs/dbraw/zinc/17/65/43/211176543.db2.gz OUAZWUKQRHZQNC-CABCVRRESA-N -1 0 380.469 4.711 50 0 GJAARM O=C([O-])c1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000083327070 211164153 /nfs/dbraw/zinc/16/41/53/211164153.db2.gz OBILUORTFSHEOX-UHFFFAOYSA-N -1 0 399.446 4.692 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820425 210949743 /nfs/dbraw/zinc/94/97/43/210949743.db2.gz UBSCTOJGLMEGFZ-UHFFFAOYSA-N -1 0 392.430 4.803 50 0 GJAARM CC(C)(C)OC(=O)N1CCC[C@]1(C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000000621864 570210742 /nfs/dbraw/zinc/21/07/42/570210742.db2.gz RUBYLACKGJPIPO-HSZRJFAPSA-N -1 0 381.472 4.673 50 0 GJAARM O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccccc2)on1 ZINC000000815021 570224800 /nfs/dbraw/zinc/22/48/00/570224800.db2.gz OLFHLDLXDKAWQD-UHFFFAOYSA-N -1 0 379.160 4.635 50 0 GJAARM Cc1ccc(Sc2ncccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001043469 570237920 /nfs/dbraw/zinc/23/79/20/570237920.db2.gz SHCMXGQVRFDZPJ-UHFFFAOYSA-N -1 0 390.917 4.995 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2c(C)cccc2C)cc1 ZINC000001110614 570242619 /nfs/dbraw/zinc/24/26/19/570242619.db2.gz FVJPSIMJIATOSM-UHFFFAOYSA-N -1 0 394.496 4.665 50 0 GJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000001130540 570245517 /nfs/dbraw/zinc/24/55/17/570245517.db2.gz DHCFLYQUOOJLHH-UHFFFAOYSA-N -1 0 389.860 4.942 50 0 GJAARM CC(C)(C)SC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001576231 570265229 /nfs/dbraw/zinc/26/52/29/570265229.db2.gz IXAYZHCPEYTWHW-LJQANCHMSA-N -1 0 399.512 4.510 50 0 GJAARM CCCc1c(OCCCSc2cccc(C(=O)[O-])c2)ccc(C(C)=O)c1O ZINC000039180212 570271425 /nfs/dbraw/zinc/27/14/25/570271425.db2.gz YYKWPFUZKLWQKX-UHFFFAOYSA-N -1 0 388.485 4.807 50 0 GJAARM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000015952633 570299551 /nfs/dbraw/zinc/29/95/51/570299551.db2.gz KXDVDILONILZSP-UHFFFAOYSA-N -1 0 399.450 4.686 50 0 GJAARM COc1ccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000022144344 570306449 /nfs/dbraw/zinc/30/64/49/570306449.db2.gz RWXAXOQIGWUMIO-QHHAFSJGSA-N -1 0 384.229 4.875 50 0 GJAARM CCCCCOc1ccc([N-]S(=O)(=O)c2cccc3ncsc32)cc1 ZINC000002879355 570315599 /nfs/dbraw/zinc/31/55/99/570315599.db2.gz BOXYHPPRBRNNQS-UHFFFAOYSA-N -1 0 376.503 4.666 50 0 GJAARM O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccc(Br)cc2)on1 ZINC000004880595 570353988 /nfs/dbraw/zinc/35/39/88/570353988.db2.gz QJYFVZPMNGXETK-UHFFFAOYSA-N -1 0 393.624 4.715 50 0 GJAARM CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000004818199 570408327 /nfs/dbraw/zinc/40/83/27/570408327.db2.gz IXNQFBWSIZNTPP-UHFFFAOYSA-N -1 0 384.501 4.590 50 0 GJAARM Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000004866282 570413692 /nfs/dbraw/zinc/41/36/92/570413692.db2.gz NFAJMWRPWJIFRM-HNNXBMFYSA-N -1 0 386.245 4.680 50 0 GJAARM O=C([O-])C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000013026067 570419556 /nfs/dbraw/zinc/41/95/56/570419556.db2.gz ZQQXYEXHHALFKT-LICLKQGHSA-N -1 0 375.453 4.556 50 0 GJAARM CC[C@@H](C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252604861 570453891 /nfs/dbraw/zinc/45/38/91/570453891.db2.gz GENNAYVHYJYJIA-WLPLLTEGSA-N -1 0 380.469 4.787 50 0 GJAARM CC[C@H](C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252604860 570454079 /nfs/dbraw/zinc/45/40/79/570454079.db2.gz GENNAYVHYJYJIA-SXZPCHRRSA-N -1 0 380.469 4.787 50 0 GJAARM Cc1oc2c(cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)[O-] ZINC000005234922 570523711 /nfs/dbraw/zinc/52/37/11/570523711.db2.gz ZYWNJLXKRWMFSL-UHFFFAOYSA-N -1 0 395.436 4.702 50 0 GJAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000002970205 570523788 /nfs/dbraw/zinc/52/37/88/570523788.db2.gz ITFWDBBXJZXOBW-UHFFFAOYSA-N -1 0 399.560 4.626 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(CC)cs2)s1 ZINC000064769338 570541547 /nfs/dbraw/zinc/54/15/47/570541547.db2.gz NJKOTXWAJSNHDA-UHFFFAOYSA-N -1 0 394.543 4.634 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@H]2c1cccc(O)c1 ZINC000064795647 570546783 /nfs/dbraw/zinc/54/67/83/570546783.db2.gz RICRIJFLQNZICO-AWEZNQCLSA-N -1 0 399.855 4.946 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1-c1ccno1 ZINC000064845077 570565273 /nfs/dbraw/zinc/56/52/73/570565273.db2.gz LRWXNUQGIVJLBC-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)s2)c1C ZINC000065031293 570651600 /nfs/dbraw/zinc/65/16/00/570651600.db2.gz ZCHOIKOLHPJTAJ-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)s2)c1C ZINC000065031221 570651609 /nfs/dbraw/zinc/65/16/09/570651609.db2.gz YMAZQLHJWRHGTF-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM CC[C@@H](C)[C@@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002604893 570717454 /nfs/dbraw/zinc/71/74/54/570717454.db2.gz SGYQTZNDBKRINT-CXAGYDPISA-N -1 0 375.428 4.954 50 0 GJAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2ccccc21 ZINC000003296268 570724513 /nfs/dbraw/zinc/72/45/13/570724513.db2.gz VZQBFPTZBDXYRW-UHFFFAOYSA-N -1 0 391.279 4.979 50 0 GJAARM Cc1c(OCc2ccc3ccccc3c2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000004046435 570924953 /nfs/dbraw/zinc/92/49/53/570924953.db2.gz YLZWOTOTSYYLPU-UHFFFAOYSA-N -1 0 388.419 4.769 50 0 biogenic GJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)c2)sc1C ZINC000033297673 570962227 /nfs/dbraw/zinc/96/22/27/570962227.db2.gz HTAWXEIPXJDBBY-UHFFFAOYSA-N -1 0 382.507 4.737 50 0 GJAARM Cc1ccccc1NC(=O)Cc1nc(CSc2ccccc2C(=O)[O-])cs1 ZINC000012812013 210013820 /nfs/dbraw/zinc/01/38/20/210013820.db2.gz IEDSYIFZBSQJTD-UHFFFAOYSA-N -1 0 398.509 4.623 50 0 GJAARM Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)CCC(=O)[O-])c2)c(C)c1C ZINC000004322401 209478166 /nfs/dbraw/zinc/47/81/66/209478166.db2.gz TTYOSKNFAVRAHL-UHFFFAOYSA-N -1 0 395.499 4.848 50 0 GJAARM CCCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000002066833 209345094 /nfs/dbraw/zinc/34/50/94/209345094.db2.gz YQIJLIQEBMXGSF-UHFFFAOYSA-N -1 0 384.863 4.803 50 0 GJAARM Cc1ccc2[nH]c(S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)[O-])nc2c1 ZINC000001453214 209328972 /nfs/dbraw/zinc/32/89/72/209328972.db2.gz GPIXLZMBKNGRSR-OAHLLOKOSA-N -1 0 381.284 4.966 50 0 GJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000001032588 209290289 /nfs/dbraw/zinc/29/02/89/209290289.db2.gz HOFKIZORSGWFLM-UHFFFAOYSA-N -1 0 399.497 4.677 50 0 GJAARM COc1ccc(/C=C2/CCCc3c2nc2ccc(C)cc2c3C(=O)[O-])cc1O ZINC000034849359 209246597 /nfs/dbraw/zinc/24/65/97/209246597.db2.gz YFSJORYFTRLFCD-PTNGSMBKSA-N -1 0 375.424 4.833 50 0 GJAARM COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1O ZINC000096767490 209242146 /nfs/dbraw/zinc/24/21/46/209242146.db2.gz IALWRZFBZZBFFM-WZMONFQBSA-N -1 0 375.424 4.770 50 0 GJAARM Cc1cc(CC2C(=O)N=C(SCc3ccccc3)N=C2[O-])ccc1OC(C)C ZINC000005634775 204144564 /nfs/dbraw/zinc/14/45/64/204144564.db2.gz VDPXLAHLNQZUBC-UHFFFAOYSA-N -1 0 396.512 4.867 50 0 GJAARM COC(=O)c1ccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000006899716 204223214 /nfs/dbraw/zinc/22/32/14/204223214.db2.gz YMZRXIBHJHGDJI-DLRWLJPMSA-N -1 0 387.435 4.843 50 0 GJAARM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1OC(F)F ZINC000007748059 204249350 /nfs/dbraw/zinc/24/93/50/204249350.db2.gz HNAMDMBEZQBQFZ-XYOKQWHBSA-N -1 0 391.395 4.922 50 0 GJAARM O=C(OCc1cc(=O)oc2cc([O-])c(Cl)cc12)c1cc2ccccc2s1 ZINC000008274254 204268813 /nfs/dbraw/zinc/26/88/13/204268813.db2.gz MWYPDYARLNFGSJ-UHFFFAOYSA-N -1 0 386.812 4.724 50 0 GJAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000009366489 204308732 /nfs/dbraw/zinc/30/87/32/204308732.db2.gz FJFSGBNFJNOHBL-UHFFFAOYSA-N -1 0 397.544 4.832 50 0 GJAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000011565865 204347639 /nfs/dbraw/zinc/34/76/39/204347639.db2.gz WZQIDGNLJDORCO-UHFFFAOYSA-N -1 0 377.506 4.669 50 0 GJAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012548387 204421774 /nfs/dbraw/zinc/42/17/74/204421774.db2.gz KKPPGVFFQBWYGN-UHFFFAOYSA-N -1 0 386.782 4.708 50 0 GJAARM CCc1csc(-c2csc(S(=O)(=O)[N-]c3ccccc3SC)c2)n1 ZINC000065116831 205211838 /nfs/dbraw/zinc/21/18/38/205211838.db2.gz TXCBAFKFTZXEJO-UHFFFAOYSA-N -1 0 396.584 4.957 50 0 GJAARM Cc1cccc([C@@H]2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)C2)c1 ZINC000064588994 205192441 /nfs/dbraw/zinc/19/24/41/205192441.db2.gz IHCNEAWYAUMHBM-QGZVFWFLSA-N -1 0 380.488 4.672 50 0 GJAARM COc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795268 205195480 /nfs/dbraw/zinc/19/54/80/205195480.db2.gz HUAQAZSUGZZMKD-CQSZACIVSA-N -1 0 379.437 4.596 50 0 GJAARM CCc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c1 ZINC000064845842 205198099 /nfs/dbraw/zinc/19/80/99/205198099.db2.gz LZSCOSYHTMJDDJ-UHFFFAOYSA-N -1 0 390.530 5.000 50 0 GJAARM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481800 205354975 /nfs/dbraw/zinc/35/49/75/205354975.db2.gz WWGXOZWLVAOLTC-RBBKRZOGSA-N -1 0 393.483 4.949 50 0 GJAARM C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000072481807 205354979 /nfs/dbraw/zinc/35/49/79/205354979.db2.gz CJXLKGZDLUALHA-NFBKMPQASA-N -1 0 379.456 4.559 50 0 GJAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Cc2ccccc2)cc1 ZINC000001425263 570262734 /nfs/dbraw/zinc/26/27/34/570262734.db2.gz XTDOROXYCFYESW-UHFFFAOYSA-N -1 0 397.521 4.635 50 0 GJAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccsc1 ZINC000002585880 570291525 /nfs/dbraw/zinc/29/15/25/570291525.db2.gz FQLMDOMRTRHLFX-FQEVSTJZSA-N -1 0 393.464 4.803 50 0 GJAARM Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1C ZINC000015974050 570303998 /nfs/dbraw/zinc/30/39/98/570303998.db2.gz WPEFFUQWYVUZHA-UHFFFAOYSA-N -1 0 377.469 4.648 50 0 aggregator GJAARM Cc1cc(C)cc(NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1 ZINC000004593103 570386277 /nfs/dbraw/zinc/38/62/77/570386277.db2.gz DWTQMFCOCSEOBY-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM COc1ccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)[O-])cc1 ZINC000025781763 570419553 /nfs/dbraw/zinc/41/95/53/570419553.db2.gz CPWJDGAPPJKEFZ-UHFFFAOYSA-N -1 0 381.190 4.692 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(F)c(C)c2)cc1 ZINC000064757588 570537034 /nfs/dbraw/zinc/53/70/34/570537034.db2.gz WBZZNQGKTJSIIZ-UHFFFAOYSA-N -1 0 385.464 4.636 50 0 GJAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 ZINC000064820676 570555456 /nfs/dbraw/zinc/55/54/56/570555456.db2.gz TVTYVGLKEYKRIA-UHFFFAOYSA-N -1 0 398.503 4.764 50 0 GJAARM CC[C@H](C)c1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783139 570622716 /nfs/dbraw/zinc/62/27/16/570622716.db2.gz OXGNDBMIOLFUAK-NOLJZWGESA-N -1 0 397.899 4.695 50 0 GJAARM [O-]c1c(Br)cc(Br)cc1-c1cc(C(F)(F)F)no1 ZINC000012428294 570658155 /nfs/dbraw/zinc/65/81/55/570658155.db2.gz UPPPIWMLZRPTQQ-UHFFFAOYSA-N -1 0 386.949 4.591 50 0 GJAARM CCOc1ccc(Cc2n[n-]c(=S)n2-c2cccc(C)c2C)cc1OCC ZINC000006910679 570699260 /nfs/dbraw/zinc/69/92/60/570699260.db2.gz UOIOCKKCEYTRKV-UHFFFAOYSA-N -1 0 383.517 4.935 50 0 GJAARM O=C(Nc1ccccc1-c1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000252497290 570728661 /nfs/dbraw/zinc/72/86/61/570728661.db2.gz QCYRRBBVSQVASP-UHFFFAOYSA-N -1 0 396.446 4.573 50 0 GJAARM O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c(O)c(-c4ccccc4)coc2-3)O1 ZINC000524730418 570764745 /nfs/dbraw/zinc/76/47/45/570764745.db2.gz IPEFTJPAJTWTPK-CQSZACIVSA-N -1 0 390.416 4.668 50 0 biogenic GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532140 570827346 /nfs/dbraw/zinc/82/73/46/570827346.db2.gz DXOCDBGWDZAYRQ-YUQDHSQMSA-N -1 0 390.564 4.686 50 0 GJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)sc1C ZINC000033169496 570838223 /nfs/dbraw/zinc/83/82/23/570838223.db2.gz LAVRCCBMEBVQCV-UHFFFAOYSA-N -1 0 394.543 4.606 50 0 GJAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001229031 570884429 /nfs/dbraw/zinc/88/44/29/570884429.db2.gz SQVOVFYSVKMBCW-UHFFFAOYSA-N -1 0 394.408 4.697 50 0 GJAARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1cccs1 ZINC000001178467 570953936 /nfs/dbraw/zinc/95/39/36/570953936.db2.gz WEUKAZHFIQCUKB-KPKJPENVSA-N -1 0 383.281 4.727 50 0 GJAARM Cc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)n1 ZINC000033297634 570962161 /nfs/dbraw/zinc/96/21/61/570962161.db2.gz LKQZFVYWJLTZMA-UHFFFAOYSA-N -1 0 388.898 4.773 50 0 GJAARM CCSc1nc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2s1 ZINC000033298853 570962938 /nfs/dbraw/zinc/96/29/38/570962938.db2.gz IFHFHNSWEOENEC-UHFFFAOYSA-N -1 0 384.935 4.863 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000033307016 570967377 /nfs/dbraw/zinc/96/73/77/570967377.db2.gz DLIXDGXKIFTCMS-UHFFFAOYSA-N -1 0 391.452 4.513 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(F)cc1F ZINC000015107214 210151995 /nfs/dbraw/zinc/15/19/95/210151995.db2.gz HZYLAVCTAUHUIG-ZDUSSCGKSA-N -1 0 385.391 4.866 50 0 GJAARM COc1ccc(-c2c/c(=N\[C@H](CC(C)C)C(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000013144889 210054368 /nfs/dbraw/zinc/05/43/68/210054368.db2.gz DCMJHVDYYQLBFE-FIPQWBAWSA-N -1 0 379.456 4.817 50 0 GJAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000002884782 209395664 /nfs/dbraw/zinc/39/56/64/209395664.db2.gz RZBAONYSXGBQKI-UHFFFAOYSA-N -1 0 398.322 4.690 50 0 GJAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncnc2c3ccccc3oc21 ZINC000002644800 209374671 /nfs/dbraw/zinc/37/46/71/209374671.db2.gz AVUSYNKKRIFMJP-UHFFFAOYSA-N -1 0 395.484 4.783 50 0 GJAARM Cc1ccc(-n2c([O-])c(Cc3ccccc3)c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000001082430 209297818 /nfs/dbraw/zinc/29/78/18/209297818.db2.gz PXRZLQVIVOVCRQ-UHFFFAOYSA-N -1 0 398.462 4.662 50 0 GJAARM O=C(c1coc2cc(Br)c([O-])c(Br)c12)c1ccccc1 ZINC000000977853 209284693 /nfs/dbraw/zinc/28/46/93/209284693.db2.gz UGGOYSDCOUCXQN-UHFFFAOYSA-N -1 0 396.034 4.894 50 0 GJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(F)c(F)c2)C1 ZINC000096767618 209241594 /nfs/dbraw/zinc/24/15/94/209241594.db2.gz ZMTYGLZBDYVUBN-ZROIWOOFSA-N -1 0 380.394 4.587 50 0 GJAARM COc1cccc(CN2c3ccccc3Sc3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000003018320 203981458 /nfs/dbraw/zinc/98/14/58/203981458.db2.gz NXBVQHCSNMNMJT-UHFFFAOYSA-N -1 0 391.448 4.705 50 0 GJAARM Cc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000003887655 204021771 /nfs/dbraw/zinc/02/17/71/204021771.db2.gz JMWQOUALXHSUTM-UHFFFAOYSA-N -1 0 394.283 4.726 50 0 GJAARM Cc1cc(C)cc(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c1 ZINC000004045543 204025735 /nfs/dbraw/zinc/02/57/35/204025735.db2.gz ZJNZAYMYKXAYNO-UHFFFAOYSA-N -1 0 380.440 4.623 50 0 biogenic GJAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000004713304 204067942 /nfs/dbraw/zinc/06/79/42/204067942.db2.gz YNIBZSNKNOYVGX-LLVKDONJSA-N -1 0 386.662 4.919 50 0 GJAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004738040 204070504 /nfs/dbraw/zinc/07/05/04/204070504.db2.gz QQFDCBSRNFLGNQ-LLVKDONJSA-N -1 0 386.662 4.919 50 0 GJAARM Cc1ccc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c(Cl)c1 ZINC000004920619 204092250 /nfs/dbraw/zinc/09/22/50/204092250.db2.gz VZBZECDFCJTDAP-UHFFFAOYSA-N -1 0 377.227 4.663 50 0 GJAARM CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000005017236 204103181 /nfs/dbraw/zinc/10/31/81/204103181.db2.gz RGSYKRATFIOGEE-UHFFFAOYSA-N -1 0 398.532 4.650 50 0 GJAARM O=C([O-])c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)o1 ZINC000008721037 204285782 /nfs/dbraw/zinc/28/57/82/204285782.db2.gz XZLSIEHDSVNZQT-UHFFFAOYSA-N -1 0 383.454 4.579 50 0 GJAARM Cc1nn(-c2cccc(C)c2C)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057311 205102522 /nfs/dbraw/zinc/10/25/22/205102522.db2.gz LMSXHYLXCOJSNK-CYBMUJFWSA-N -1 0 399.903 4.821 50 0 GJAARM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000046053356 205102879 /nfs/dbraw/zinc/10/28/79/205102879.db2.gz KYGZCVULLGVXEN-UHFFFAOYSA-N -1 0 394.858 4.927 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057517 205103635 /nfs/dbraw/zinc/10/36/35/205103635.db2.gz GMQBDFCZYKFORL-KRWDZBQOSA-N -1 0 385.423 4.544 50 0 GJAARM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057790 205103656 /nfs/dbraw/zinc/10/36/56/205103656.db2.gz MTFCKWVOWORAEC-CQSZACIVSA-N -1 0 399.903 4.821 50 0 GJAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000064979468 205205102 /nfs/dbraw/zinc/20/51/02/205205102.db2.gz LJIACYAMHNERPC-UHFFFAOYSA-N -1 0 386.473 4.583 50 0 GJAARM O=S(=O)([N-]c1ccc2nc(C3CC3)sc2c1)c1ccccc1C(F)(F)F ZINC000063879479 205188912 /nfs/dbraw/zinc/18/89/12/205188912.db2.gz FDOJEELXFREING-UHFFFAOYSA-N -1 0 398.431 4.993 50 0 GJAARM CCOc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795273 205195351 /nfs/dbraw/zinc/19/53/51/205195351.db2.gz QMQBSMSGRSNZNA-OAHLLOKOSA-N -1 0 393.464 4.986 50 0 GJAARM CC(C)CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100534641 211388110 /nfs/dbraw/zinc/38/81/10/211388110.db2.gz ISQOCWBAQOUPGF-UHFFFAOYSA-N -1 0 384.863 4.659 50 0 GJAARM COc1cccc(CNc2ccc(C(=O)[O-])cc2)c1OCc1ccc(C)cc1 ZINC000095472050 211247645 /nfs/dbraw/zinc/24/76/45/211247645.db2.gz KKJILQFYRRNYBA-UHFFFAOYSA-N -1 0 377.440 4.893 50 0 GJAARM Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1Cl ZINC000095374528 211230058 /nfs/dbraw/zinc/23/00/58/211230058.db2.gz JUWBXRPBVHIPLH-OAHLLOKOSA-N -1 0 375.827 4.506 50 0 GJAARM O=C([O-])c1cc(-c2ccccc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492082 210341098 /nfs/dbraw/zinc/34/10/98/210341098.db2.gz VPZNWEHAQUDIRF-UHFFFAOYSA-N -1 0 394.228 4.753 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002738082 209380478 /nfs/dbraw/zinc/38/04/78/209380478.db2.gz IGDJMRCASYCMPR-DLBZAZTESA-N -1 0 384.501 4.847 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C ZINC000035074929 570228401 /nfs/dbraw/zinc/22/84/01/570228401.db2.gz RMEZJKHOZLUOHB-LOVXMMHCSA-N -1 0 388.548 4.606 50 0 GJAARM CCCCc1ccc(NC(=O)[C@@H](C)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012814056 570229187 /nfs/dbraw/zinc/22/91/87/570229187.db2.gz LENGNWWIGPZXSY-CQSZACIVSA-N -1 0 381.501 4.601 50 0 GJAARM O=C([O-])/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000019926131 570230062 /nfs/dbraw/zinc/23/00/62/570230062.db2.gz WNXZFOIQAKDEDS-WUKNDPDISA-N -1 0 380.447 4.821 50 0 GJAARM O=C1Sc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c3cccc1c23 ZINC000000950294 570231268 /nfs/dbraw/zinc/23/12/68/570231268.db2.gz XYNHBKKVCCWIPO-UHFFFAOYSA-N -1 0 375.858 4.540 50 0 GJAARM Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(F)cc2)c2c1CCC2 ZINC000001034353 570236572 /nfs/dbraw/zinc/23/65/72/570236572.db2.gz LTKNTNONBSOCDN-UHFFFAOYSA-N -1 0 398.459 4.611 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000001079846 570241057 /nfs/dbraw/zinc/24/10/57/570241057.db2.gz WYCBTIGQRYXOCX-UHFFFAOYSA-N -1 0 394.496 4.665 50 0 GJAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000002961697 570253789 /nfs/dbraw/zinc/25/37/89/570253789.db2.gz BZMNQQVYEPRTBC-UHFFFAOYSA-N -1 0 377.494 4.998 50 0 GJAARM CCc1[n-]n2c(nc(-c3ccc(OC)cc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000102720430 570291439 /nfs/dbraw/zinc/29/14/39/570291439.db2.gz BUBSGWHBUMHMRB-UHFFFAOYSA-N -1 0 379.847 4.993 50 0 GJAARM Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccc(Br)cc1Cl ZINC000002858196 570310447 /nfs/dbraw/zinc/31/04/47/570310447.db2.gz WZYHTVHYMPYTDL-UHFFFAOYSA-N -1 0 399.697 4.918 50 0 GJAARM CC(C)(C)c1ccc(-c2nnc(SCCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000002999379 570325450 /nfs/dbraw/zinc/32/54/50/570325450.db2.gz PPQUYPDQNLCGNW-UHFFFAOYSA-N -1 0 381.501 4.799 50 0 GJAARM O=C([O-])CSc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003269682 570335170 /nfs/dbraw/zinc/33/51/70/570335170.db2.gz BAVKVEHMBFINGY-UHFFFAOYSA-N -1 0 376.890 4.677 50 0 GJAARM COc1ccc(Cn2c(=O)c3cc(-c4ccccc4)sc3[n-]c2=S)cc1 ZINC000006303955 570367699 /nfs/dbraw/zinc/36/76/99/570367699.db2.gz PBJCYNORKQZIFM-UHFFFAOYSA-N -1 0 380.494 4.844 50 0 GJAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(C)cc1 ZINC000004941904 570377271 /nfs/dbraw/zinc/37/72/71/570377271.db2.gz RGDYCRFUGDCPSX-UHFFFAOYSA-N -1 0 391.452 4.638 50 0 GJAARM C/C(C=NNC(=S)Nc1cccc(C(=O)[O-])c1)=C/c1ccc(C(C)C)cc1 ZINC000005130250 570422585 /nfs/dbraw/zinc/42/25/85/570422585.db2.gz HHHTVWXORKYGNY-YDYNSBIKSA-N -1 0 381.501 4.884 50 0 GJAARM O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 ZINC000005570023 570446819 /nfs/dbraw/zinc/44/68/19/570446819.db2.gz MLPNOVLGSFRBDF-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795291 570546468 /nfs/dbraw/zinc/54/64/68/570546468.db2.gz VAWOGYRAGGGQJO-INIZCTEOSA-N -1 0 393.464 4.986 50 0 GJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797335 570546830 /nfs/dbraw/zinc/54/68/30/570546830.db2.gz JOSDZFBWNBLBED-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM CCN(C(=O)Cc1c2ccccc2n(CC)c1C(=O)[O-])c1ccc(C)cc1C ZINC000006720686 570550032 /nfs/dbraw/zinc/55/00/32/570550032.db2.gz HURITIUNKNLZBN-UHFFFAOYSA-N -1 0 378.472 4.572 50 0 GJAARM CCn1c(CSc2ncnc3sc(C)c(C)c32)nc2cc(C(=O)[O-])ccc21 ZINC000002659400 570593760 /nfs/dbraw/zinc/59/37/60/570593760.db2.gz ZZUBOCQIVRCQGP-UHFFFAOYSA-N -1 0 398.513 4.668 50 0 GJAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000064947316 570604279 /nfs/dbraw/zinc/60/42/79/570604279.db2.gz IWJVWRSSRURKFC-UHFFFAOYSA-N -1 0 389.908 4.560 50 0 GJAARM C[C@H]1CCCC[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071084645 570616491 /nfs/dbraw/zinc/61/64/91/570616491.db2.gz YGBJSIBWMAKQPS-NPMXOYFQSA-N -1 0 379.456 4.559 50 0 GJAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccccc3C)ccc2n1 ZINC000033010246 570622133 /nfs/dbraw/zinc/62/21/33/570622133.db2.gz FFESSVBCVQDVKQ-UHFFFAOYSA-N -1 0 391.471 4.730 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)s2)c1C ZINC000065031356 570651954 /nfs/dbraw/zinc/65/19/54/570651954.db2.gz UACUMQMIYURMBK-UHFFFAOYSA-N -1 0 386.857 4.613 50 0 GJAARM O=S(=O)([N-]c1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000005602647 570668031 /nfs/dbraw/zinc/66/80/31/570668031.db2.gz JFXJXBQZJAUCCV-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM O=C(Nc1ccc(Cl)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416040 570669895 /nfs/dbraw/zinc/66/98/95/570669895.db2.gz CKRFXWXJYIULHW-UHFFFAOYSA-N -1 0 390.826 4.602 50 0 GJAARM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004825156 570730369 /nfs/dbraw/zinc/73/03/69/570730369.db2.gz RJVJOZRPKYNXKZ-QMMMGPOBSA-N -1 0 388.634 4.751 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000253530083 570732993 /nfs/dbraw/zinc/73/29/93/570732993.db2.gz CVNYHSDFZXHMMJ-YPLPTPCSSA-N -1 0 390.564 4.686 50 0 biogenic GJAARM O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c(O)c(-c4ccccc4)coc2-3)O1 ZINC000524730417 570764860 /nfs/dbraw/zinc/76/48/60/570764860.db2.gz IPEFTJPAJTWTPK-AWEZNQCLSA-N -1 0 390.416 4.668 50 0 biogenic GJAARM O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@H]([C@@H]1CC=CCC1)CC(=O)O2 ZINC000524731882 570766884 /nfs/dbraw/zinc/76/68/84/570766884.db2.gz NPFREZSWVDKTAI-ZBFHGGJFSA-N -1 0 388.419 4.915 50 0 biogenic GJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(C)c2)cc1 ZINC000007051280 570770670 /nfs/dbraw/zinc/77/06/70/570770670.db2.gz WWHIWRXGLADOPT-UHFFFAOYSA-N -1 0 396.468 4.547 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532139 570827371 /nfs/dbraw/zinc/82/73/71/570827371.db2.gz DXOCDBGWDZAYRQ-GTUMCBQESA-N -1 0 390.564 4.686 50 0 GJAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)c1 ZINC000033169464 570838379 /nfs/dbraw/zinc/83/83/79/570838379.db2.gz PBDUPBPRSXDXFJ-UHFFFAOYSA-N -1 0 394.543 4.606 50 0 GJAARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000014256404 570839430 /nfs/dbraw/zinc/83/94/30/570839430.db2.gz IQBYREANEDEVRF-UHFFFAOYSA-N -1 0 375.534 4.992 50 0 GJAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccc(Br)cc2)cs1 ZINC000014628705 570853149 /nfs/dbraw/zinc/85/31/49/570853149.db2.gz IBZJWYGZMRHZLN-UHFFFAOYSA-N -1 0 398.285 4.714 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cc(-c2ccno2)cs1 ZINC000044919732 570983513 /nfs/dbraw/zinc/98/35/13/570983513.db2.gz QZUZUMAVQJZKHA-UHFFFAOYSA-N -1 0 375.258 4.511 50 0 GJAARM O=C([O-])C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240697 570994882 /nfs/dbraw/zinc/99/48/82/570994882.db2.gz WXHKKBWBBDRORH-INIZCTEOSA-N -1 0 379.456 4.512 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)s1 ZINC000046057440 571017624 /nfs/dbraw/zinc/01/76/24/571017624.db2.gz ZMSOKZDBIYLNQT-KRWDZBQOSA-N -1 0 393.512 4.676 50 0 GJAARM Cc1nn(-c2cccc(C)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057550 571017739 /nfs/dbraw/zinc/01/77/39/571017739.db2.gz CCFHAKDHFLAZPK-KRWDZBQOSA-N -1 0 385.423 4.544 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(OCC)cc1Cl ZINC000016780639 210196572 /nfs/dbraw/zinc/19/65/72/210196572.db2.gz ACPOGLNCISAHLU-UHFFFAOYSA-N -1 0 390.288 4.592 50 0 GJAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccccc1C ZINC000015671533 210160349 /nfs/dbraw/zinc/16/03/49/210160349.db2.gz CENVQPRLSQTHMX-UHFFFAOYSA-N -1 0 398.532 4.801 50 0 GJAARM O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000014632719 210123649 /nfs/dbraw/zinc/12/36/49/210123649.db2.gz XCPORARHBOYMBL-UHFFFAOYSA-N -1 0 379.456 4.560 50 0 GJAARM COc1ccc(-c2c/c(=N\[C@@H](CC(C)C)C(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000013144888 210053638 /nfs/dbraw/zinc/05/36/38/210053638.db2.gz DCMJHVDYYQLBFE-UNJZAIIMSA-N -1 0 379.456 4.817 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC=CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000012649975 209989381 /nfs/dbraw/zinc/98/93/81/209989381.db2.gz VVRPUWRAIBUXRZ-IAGOWNOFSA-N -1 0 392.480 4.877 50 0 GJAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004738039 209520792 /nfs/dbraw/zinc/52/07/92/209520792.db2.gz QQFDCBSRNFLGNQ-NSHDSACASA-N -1 0 386.662 4.919 50 0 GJAARM CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2CCC(=O)[O-])C(=O)C1 ZINC000002582430 209369596 /nfs/dbraw/zinc/36/95/96/209369596.db2.gz SBHSLICCZIOYEQ-UHFFFAOYSA-N -1 0 390.277 4.547 50 0 GJAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)CCC(=O)[O-] ZINC000002762060 209382466 /nfs/dbraw/zinc/38/24/66/209382466.db2.gz OKMIOHVAGKVPQQ-UHFFFAOYSA-N -1 0 397.452 4.548 50 0 GJAARM CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001388575 209325213 /nfs/dbraw/zinc/32/52/13/209325213.db2.gz AGDLEKMOUXNWGK-UHFFFAOYSA-N -1 0 377.897 4.517 50 0 GJAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)[O-])C3=O)cc1C ZINC000001312348 209318933 /nfs/dbraw/zinc/31/89/33/209318933.db2.gz IFRWVFKPDNJZBY-UHFFFAOYSA-N -1 0 387.391 4.595 50 0 GJAARM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000001446230 209327613 /nfs/dbraw/zinc/32/76/13/209327613.db2.gz DOHGOFAURHEKQT-UHFFFAOYSA-N -1 0 387.464 4.925 50 0 GJAARM CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000001050396 209294472 /nfs/dbraw/zinc/29/44/72/209294472.db2.gz ANKYHZQJUFXGGK-UHFFFAOYSA-N -1 0 396.512 4.915 50 0 GJAARM CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C(=O)[O-])c1 ZINC000000948613 209282269 /nfs/dbraw/zinc/28/22/69/209282269.db2.gz VJXLCXYGAUUNAC-UHFFFAOYSA-N -1 0 384.819 4.815 50 0 GJAARM Cc1cccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])n1 ZINC000000641135 209254105 /nfs/dbraw/zinc/25/41/05/209254105.db2.gz YCCLSUGMKZHUHP-UHFFFAOYSA-N -1 0 394.041 4.954 50 0 GJAARM CCCOc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000096759358 203834731 /nfs/dbraw/zinc/83/47/31/203834731.db2.gz IGYUWSPQKLAWEV-MHWRWJLKSA-N -1 0 384.819 4.559 50 0 GJAARM Cc1cc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])no1 ZINC000000641850 203844882 /nfs/dbraw/zinc/84/48/82/203844882.db2.gz UQDSQUDVVUAXMN-UHFFFAOYSA-N -1 0 384.002 4.547 50 0 GJAARM O=S(=O)([N-]c1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)s1 ZINC000004249096 204034497 /nfs/dbraw/zinc/03/44/97/204034497.db2.gz ZRWOMUMGGNBAQG-UHFFFAOYSA-N -1 0 395.918 4.579 50 0 GJAARM O=C([O-])CCn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000004851966 204081485 /nfs/dbraw/zinc/08/14/85/204081485.db2.gz RAKOBLCSKMUWIA-UHFFFAOYSA-N -1 0 397.066 4.794 50 0 GJAARM Cc1nn2c(nc(C(C)(C)C)cc2SCC(=O)[O-])c1-c1ccc(Cl)cc1 ZINC000005267094 204123468 /nfs/dbraw/zinc/12/34/68/204123468.db2.gz JZNZMPXMIIZQHI-UHFFFAOYSA-N -1 0 389.908 4.832 50 0 GJAARM Cc1cc([O-])c(C2=NCCS[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1 ZINC000005956916 204158582 /nfs/dbraw/zinc/15/85/82/204158582.db2.gz HDLLOYWQXGAMOA-OAHLLOKOSA-N -1 0 384.284 4.628 50 0 GJAARM O=S(=O)([N-]c1ccc(Cc2nc3ccccc3s2)cc1)c1cccs1 ZINC000007054308 204231804 /nfs/dbraw/zinc/23/18/04/204231804.db2.gz NHGFKKYLHFNVND-UHFFFAOYSA-N -1 0 386.523 4.749 50 0 GJAARM O=C([O-])Cc1c(-c2ccc3c(c2)OCCO3)nc2ccccc2c1-c1ccccc1 ZINC000009157398 204300838 /nfs/dbraw/zinc/30/08/38/204300838.db2.gz CXVJJAYRGJTMDH-UHFFFAOYSA-N -1 0 397.430 4.967 50 0 GJAARM COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)[O-] ZINC000032639096 204914185 /nfs/dbraw/zinc/91/41/85/204914185.db2.gz CERGVHFTXOWUTO-XVNBXDOJSA-N -1 0 375.833 4.592 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)s1 ZINC000046056877 205103602 /nfs/dbraw/zinc/10/36/02/205103602.db2.gz DITCQMPIMYUAPN-KRWDZBQOSA-N -1 0 393.512 4.730 50 0 GJAARM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000058358243 205174177 /nfs/dbraw/zinc/17/41/77/205174177.db2.gz BKXPNSPOTLOWOL-UHFFFAOYSA-N -1 0 394.374 4.694 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2)c1C ZINC000064845900 205198632 /nfs/dbraw/zinc/19/86/32/205198632.db2.gz NQTZRMQOIBGLRQ-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1-c1ccno1 ZINC000064845117 205198788 /nfs/dbraw/zinc/19/87/88/205198788.db2.gz CWHNICCHZKPGTH-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004165 205206014 /nfs/dbraw/zinc/20/60/14/205206014.db2.gz YGCUKOIDFWKAFU-UHFFFAOYSA-N -1 0 398.868 4.874 50 0 GJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(CC)cs3)cs2)cc1 ZINC000065116792 205211672 /nfs/dbraw/zinc/21/16/72/205211672.db2.gz HXAYJGGIZFUOKK-UHFFFAOYSA-N -1 0 394.543 4.634 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)s2)cs1 ZINC000065138146 205213531 /nfs/dbraw/zinc/21/35/31/205213531.db2.gz IWOMZGFHVSFEDR-UHFFFAOYSA-N -1 0 384.935 4.943 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(F)cc2)CC(=O)N3)cc1 ZINC000064796992 205195220 /nfs/dbraw/zinc/19/52/20/205195220.db2.gz XNVSBTKIHIFVOZ-OAHLLOKOSA-N -1 0 397.427 4.735 50 0 GJAARM O=C([O-])C[C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000100226609 205606723 /nfs/dbraw/zinc/60/67/23/205606723.db2.gz OAZYEKKFVGYBHJ-IYBDPMFKSA-N -1 0 379.456 4.559 50 0 GJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccccc2Cl)cc1 ZINC000095476904 211247225 /nfs/dbraw/zinc/24/72/25/211247225.db2.gz RPZMZKQQAIJCCI-QGZVFWFLSA-N -1 0 399.859 4.648 50 0 GJAARM O=C([O-])c1ccc2c3c1cccc3C(=O)N(c1ccc3c4c(cccc41)CC3)C2=O ZINC000000834480 136192936 /nfs/dbraw/zinc/19/29/36/136192936.db2.gz RLDQKTMBWDJXEO-UHFFFAOYSA-N -1 0 393.398 4.590 50 0 GJAARM Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)[O-] ZINC000003834020 560189959 /nfs/dbraw/zinc/18/99/59/560189959.db2.gz APYYTEJNOZQZNA-MOSHPQCFSA-N -1 0 386.451 4.808 50 0 in-vitro GJAARM Cc1ccc2[nH]c(S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)[O-])nc2c1 ZINC000001453213 570226696 /nfs/dbraw/zinc/22/66/96/570226696.db2.gz GPIXLZMBKNGRSR-HNNXBMFYSA-N -1 0 381.284 4.966 50 0 GJAARM CCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000100602473 570273502 /nfs/dbraw/zinc/27/35/02/570273502.db2.gz MRNIJRRTXPTKJR-UHFFFAOYSA-N -1 0 391.254 4.676 50 0 GJAARM O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000002375058 570285018 /nfs/dbraw/zinc/28/50/18/570285018.db2.gz MYKPOOHLDSZHSY-PDGQHHTCSA-N -1 0 391.404 4.886 50 0 GJAARM O=C(Nc1ccccc1F)c1cccc(OC(=S)[N-]c2ccccc2F)c1 ZINC000003079562 570328016 /nfs/dbraw/zinc/32/80/16/570328016.db2.gz BAPGREDOMKARHX-UHFFFAOYSA-N -1 0 384.407 4.993 50 0 GJAARM O=C([O-])CCCCCN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000004119337 570358427 /nfs/dbraw/zinc/35/84/27/570358427.db2.gz BUPDEHNMNYYOPF-UHFFFAOYSA-N -1 0 399.057 4.541 50 0 GJAARM CC(C)(CC(=O)[O-])CC(=O)NCc1c(Cl)cccc1Oc1ccccc1 ZINC000004324691 570368359 /nfs/dbraw/zinc/36/83/59/570368359.db2.gz OPBCMEHXQLJRNX-UHFFFAOYSA-N -1 0 375.852 4.640 50 0 GJAARM CCOc1ccc(Cc2n[n-]c(=S)n2-c2cc(C)ccc2C)cc1OCC ZINC000006418643 570405814 /nfs/dbraw/zinc/40/58/14/570405814.db2.gz GQPZNCXRWCHRSU-UHFFFAOYSA-N -1 0 383.517 4.935 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000005126520 570430091 /nfs/dbraw/zinc/43/00/91/570430091.db2.gz XZVJWQOWGPKPOJ-JKSUJKDBSA-N -1 0 388.464 4.643 50 0 aggregator GJAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002736121 570511843 /nfs/dbraw/zinc/51/18/43/570511843.db2.gz NSTQVJHUSUXFQI-DLBZAZTESA-N -1 0 384.501 4.813 50 0 GJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000064670036 570515009 /nfs/dbraw/zinc/51/50/09/570515009.db2.gz VIBUKHOFSLYPNS-UHFFFAOYSA-N -1 0 388.514 4.545 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(F)c(F)c2)cc1C ZINC000064757572 570537214 /nfs/dbraw/zinc/53/72/14/570537214.db2.gz VJWZEZMNUAMOHI-UHFFFAOYSA-N -1 0 389.427 4.521 50 0 GJAARM CCCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 ZINC000008738070 570538423 /nfs/dbraw/zinc/53/84/23/570538423.db2.gz NAJVUSYVJUNEFC-UHFFFAOYSA-N -1 0 380.517 4.757 50 0 GJAARM O=C([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000004957201 570540587 /nfs/dbraw/zinc/54/05/87/570540587.db2.gz IDWBYRHHRXRAQV-UHFFFAOYSA-N -1 0 388.828 4.663 50 0 GJAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064795955 570546854 /nfs/dbraw/zinc/54/68/54/570546854.db2.gz IXPYRBJMMXRNRS-MRXNPFEDSA-N -1 0 393.464 4.904 50 0 GJAARM CS(=O)(=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[n-]1 ZINC000038558341 570580813 /nfs/dbraw/zinc/58/08/13/570580813.db2.gz ZEIHWBIRYIXBSV-UHFFFAOYSA-N -1 0 391.663 4.719 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)c1C ZINC000065031310 570652065 /nfs/dbraw/zinc/65/20/65/570652065.db2.gz PTZKUPFAODYILH-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 ZINC000004340817 570676198 /nfs/dbraw/zinc/67/61/98/570676198.db2.gz FIDRHXFFJQWSMH-QGZVFWFLSA-N -1 0 398.919 4.680 50 0 GJAARM O=C([N-]c1nonc1-c1ccc2c(c1)CCCC2)c1cc(-c2ccccc2)on1 ZINC000032594082 570679579 /nfs/dbraw/zinc/67/95/79/570679579.db2.gz VRZGODRTWAWLHE-UHFFFAOYSA-N -1 0 386.411 4.523 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000012649971 570695027 /nfs/dbraw/zinc/69/50/27/570695027.db2.gz VVRPUWRAIBUXRZ-IRXDYDNUSA-N -1 0 392.480 4.877 50 0 GJAARM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@@H]3CC(C)C ZINC000524730221 570764560 /nfs/dbraw/zinc/76/45/60/570764560.db2.gz ACGZFZYCSSJNMY-ZDUSSCGKSA-N -1 0 394.423 4.613 50 0 biogenic GJAARM COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@H]3CC(C)C ZINC000524730220 570764710 /nfs/dbraw/zinc/76/47/10/570764710.db2.gz ACGZFZYCSSJNMY-CYBMUJFWSA-N -1 0 394.423 4.613 50 0 biogenic GJAARM CCN1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=Nc1ccc(OC)cc1 ZINC000005896914 570801737 /nfs/dbraw/zinc/80/17/37/570801737.db2.gz FSMIYYKWAHGNHG-XADZQOGUSA-N -1 0 388.876 4.678 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C ZINC000004662418 570812000 /nfs/dbraw/zinc/81/20/00/570812000.db2.gz RMEZJKHOZLUOHB-VTQPGVNQSA-N -1 0 388.548 4.606 50 0 biogenic,in-vitro GJAARM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2Cl)CCCCCC1 ZINC000013467286 570848080 /nfs/dbraw/zinc/84/80/80/570848080.db2.gz VURMJTDLQJQKJC-UHFFFAOYSA-N -1 0 388.689 4.856 50 0 GJAARM COc1ccccc1Cn1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S ZINC000017077806 570939446 /nfs/dbraw/zinc/93/94/46/570939446.db2.gz SXRFONNLXKDYEU-UHFFFAOYSA-N -1 0 380.494 4.844 50 0 GJAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)cc1 ZINC000017078356 570940053 /nfs/dbraw/zinc/94/00/53/570940053.db2.gz WYQBSZUHYQDTME-INIZCTEOSA-N -1 0 383.517 4.554 50 0 GJAARM CCOC(=O)c1c2ccc(C(C)(C)C)cc2sc1NC(=O)CCCC(=O)[O-] ZINC000017079935 570940429 /nfs/dbraw/zinc/94/04/29/570940429.db2.gz JNYSEZQFJXLYOQ-UHFFFAOYSA-N -1 0 391.489 4.569 50 0 GJAARM Cc1nn(-c2cccc(C)c2C)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057314 571017174 /nfs/dbraw/zinc/01/71/74/571017174.db2.gz LMSXHYLXCOJSNK-ZDUSSCGKSA-N -1 0 399.903 4.821 50 0 GJAARM O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(F)c1 ZINC000095067900 571049810 /nfs/dbraw/zinc/04/98/10/571049810.db2.gz WZCJPAINTBXJJA-UHFFFAOYSA-N -1 0 399.068 4.696 50 0 GJAARM CC(C)c1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)C)c1O ZINC000015414448 210157857 /nfs/dbraw/zinc/15/78/57/210157857.db2.gz SUVMMINLZBWCLC-SFTDATJTSA-N -1 0 392.499 4.809 50 0 GJAARM CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1Cl ZINC000002868421 209392921 /nfs/dbraw/zinc/39/29/21/209392921.db2.gz BGJKWMLGNZZFAK-UHFFFAOYSA-N -1 0 388.634 4.996 50 0 GJAARM CC[C@@H](C)[C@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002426455 209364046 /nfs/dbraw/zinc/36/40/46/209364046.db2.gz SGYQTZNDBKRINT-DYVFJYSZSA-N -1 0 375.428 4.954 50 0 GJAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl ZINC000002635863 209373059 /nfs/dbraw/zinc/37/30/59/209373059.db2.gz VMOQOZQZRVDRDF-UHFFFAOYSA-N -1 0 386.178 4.693 50 0 GJAARM Cc1nn(-c2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000002631220 209373014 /nfs/dbraw/zinc/37/30/14/209373014.db2.gz JVPKVEYRQGOPSJ-UHFFFAOYSA-N -1 0 395.459 4.582 50 0 GJAARM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000002372932 209359909 /nfs/dbraw/zinc/35/99/09/209359909.db2.gz XPHPJHWJOCGFDG-HNNXBMFYSA-N -1 0 399.454 4.540 50 0 GJAARM O=C([O-])c1cccc(NC(=O)CSC2c3ccccc3Oc3ccccc32)c1 ZINC000001110564 209301566 /nfs/dbraw/zinc/30/15/66/209301566.db2.gz QDMHFSRJHRLOHW-UHFFFAOYSA-N -1 0 391.448 4.952 50 0 GJAARM COc1ccc(Cc2nnc([N-]c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000001045993 209292579 /nfs/dbraw/zinc/29/25/79/209292579.db2.gz VQWXDRDDVOAGTF-UHFFFAOYSA-N -1 0 380.231 4.728 50 0 GJAARM Cc1cn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)[n-]c1=S ZINC000000945458 209281893 /nfs/dbraw/zinc/28/18/93/209281893.db2.gz WKERRHQMXMZIHS-UHFFFAOYSA-N -1 0 377.494 4.994 50 0 biogenic GJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000000797249 209267100 /nfs/dbraw/zinc/26/71/00/209267100.db2.gz FAQYWWCIGHGTKI-UHFFFAOYSA-N -1 0 378.664 4.650 50 0 GJAARM Cc1c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc(=O)c1CCC(=O)[O-] ZINC000002096233 203927570 /nfs/dbraw/zinc/92/75/70/203927570.db2.gz BWHVIQLWQCRKEC-UHFFFAOYSA-N -1 0 386.831 4.659 50 0 biogenic GJAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CSc1nc2cc(Cl)ccc2o1 ZINC000003376524 204003139 /nfs/dbraw/zinc/00/31/39/204003139.db2.gz BCUKNTQNMQPLLX-UHFFFAOYSA-N -1 0 397.239 4.564 50 0 GJAARM O=C([O-])C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 ZINC000004580599 204056030 /nfs/dbraw/zinc/05/60/30/204056030.db2.gz MJEFZJLSMDPVDN-ZDUSSCGKSA-N -1 0 377.824 4.640 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005756619 204150268 /nfs/dbraw/zinc/15/02/68/204150268.db2.gz SPUOPTCIVFNKFX-VXGBXAGGSA-N -1 0 383.288 4.554 50 0 GJAARM Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)c1 ZINC000008446612 204276902 /nfs/dbraw/zinc/27/69/02/204276902.db2.gz WCGHOVBNFXEYNJ-NTEUORMPSA-N -1 0 382.419 4.563 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccccc1F ZINC000015081481 204562153 /nfs/dbraw/zinc/56/21/53/204562153.db2.gz MIANXMXDWBYZAL-ZDUSSCGKSA-N -1 0 385.391 4.866 50 0 GJAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)cc1 ZINC000046057598 205103882 /nfs/dbraw/zinc/10/38/82/205103882.db2.gz FKCLWTKIVVPABB-AWEZNQCLSA-N -1 0 399.903 4.767 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)s2)n1 ZINC000064769341 205195985 /nfs/dbraw/zinc/19/59/85/205195985.db2.gz YNBAFINZJPRQPV-UHFFFAOYSA-N -1 0 386.470 4.513 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)cc2C)on1 ZINC000064845592 205198355 /nfs/dbraw/zinc/19/83/55/205198355.db2.gz HJIWRVKCPKJUQG-UHFFFAOYSA-N -1 0 380.466 4.577 50 0 GJAARM Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000008446603 205796448 /nfs/dbraw/zinc/79/64/48/205796448.db2.gz HMGAUNPDAMDQHH-NTCAYCPXSA-N -1 0 382.419 4.563 50 0 GJAARM Cc1ccsc1[C@@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2ccccc2S1 ZINC000299798257 206191846 /nfs/dbraw/zinc/19/18/46/206191846.db2.gz QUJRZOFPLKQYRC-KRWDZBQOSA-N -1 0 383.494 4.604 50 0 GJAARM CC(/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O)=C/c1ccccc1 ZINC000000974435 211499102 /nfs/dbraw/zinc/49/91/02/211499102.db2.gz NXEXHRSVNFRUDK-HLXADAOKSA-N -1 0 381.478 4.737 50 0 GJAARM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000096171258 211316381 /nfs/dbraw/zinc/31/63/81/211316381.db2.gz RLQOWWXNTZYENU-UHFFFAOYSA-N -1 0 386.286 4.732 50 0 GJAARM CN(CCC#N)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000096767470 522673089 /nfs/dbraw/zinc/67/30/89/522673089.db2.gz ADPYFCLSKYEEET-SSZFMOIBSA-N -1 0 377.469 4.661 50 0 GJAARM Cc1[n-]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccccc1 ZINC000100128332 570266680 /nfs/dbraw/zinc/26/66/80/570266680.db2.gz CZXAIVHDMPNRSN-UHFFFAOYSA-N -1 0 381.888 4.944 50 0 GJAARM CCCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100478488 570272741 /nfs/dbraw/zinc/27/27/41/570272741.db2.gz YJWWCLZDOZGSQE-UHFFFAOYSA-N -1 0 384.863 4.803 50 0 GJAARM COc1ccc([C@@H]2CC(=O)CC(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917851 570279259 /nfs/dbraw/zinc/27/92/59/570279259.db2.gz APLRHUIRZISVRH-WMLDXEAASA-N -1 0 397.780 4.562 50 0 GJAARM Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3n2CC(=O)[O-])c1 ZINC000002857372 570310094 /nfs/dbraw/zinc/31/00/94/570310094.db2.gz YRGBZKCGENOLPV-UHFFFAOYSA-N -1 0 384.501 4.724 50 0 GJAARM CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000005125919 570430077 /nfs/dbraw/zinc/43/00/77/570430077.db2.gz WVOSHCAUYMTUKH-UHFFFAOYSA-N -1 0 398.528 4.980 50 0 GJAARM COc1ccc(-c2csc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)cc1 ZINC000005489894 570442267 /nfs/dbraw/zinc/44/22/67/570442267.db2.gz YYRAPPHZMUQHIP-UHFFFAOYSA-N -1 0 380.494 4.844 50 0 GJAARM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000002635978 570501209 /nfs/dbraw/zinc/50/12/09/570501209.db2.gz ATVHUOIPNXHQRQ-UHFFFAOYSA-N -1 0 376.937 4.534 50 0 GJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nc(CC)cs3)s2)cc1 ZINC000064769309 570541471 /nfs/dbraw/zinc/54/14/71/570541471.db2.gz ZEJMHJMLYQFJDP-UHFFFAOYSA-N -1 0 394.543 4.634 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccc(F)c(F)c1 ZINC000064795462 570546439 /nfs/dbraw/zinc/54/64/39/570546439.db2.gz QGPTYSGHACJIMG-LBPRGKRZSA-N -1 0 385.391 4.866 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)on1 ZINC000064845497 570565122 /nfs/dbraw/zinc/56/51/22/570565122.db2.gz LRQCHWOBUJPCSB-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395964 570652745 /nfs/dbraw/zinc/65/27/45/570652745.db2.gz IOBUWRSNUGMYLR-UHFFFAOYSA-N -1 0 377.831 4.807 50 0 GJAARM O=C(Nc1ccccc1Cl)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416038 570669786 /nfs/dbraw/zinc/66/97/86/570669786.db2.gz FEKVQFBKYHKYDD-UHFFFAOYSA-N -1 0 390.826 4.602 50 0 GJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC000117842805 570698894 /nfs/dbraw/zinc/69/88/94/570698894.db2.gz KWBSWUDNXUVCEG-UHFFFAOYSA-N -1 0 379.456 4.655 50 0 GJAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000004825169 570730472 /nfs/dbraw/zinc/73/04/72/570730472.db2.gz RJVJOZRPKYNXKZ-MRVPVSSYSA-N -1 0 388.634 4.751 50 0 GJAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cs1 ZINC000206908934 570755635 /nfs/dbraw/zinc/75/56/35/570755635.db2.gz ODIRWNFQUBZJRO-UHFFFAOYSA-N -1 0 382.869 4.712 50 0 GJAARM O=S(=O)([N-]c1ccccc1SC(F)F)c1ccccc1Br ZINC000007055914 570774923 /nfs/dbraw/zinc/77/49/23/570774923.db2.gz DJSYFRWNWUGFSV-UHFFFAOYSA-N -1 0 394.262 4.565 50 0 GJAARM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1ccccc1OC(F)(F)F ZINC000012508204 570824404 /nfs/dbraw/zinc/82/44/04/570824404.db2.gz JNRCYBBUMRNTNX-UHFFFAOYSA-N -1 0 399.362 4.701 50 0 GJAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000003623702 570878729 /nfs/dbraw/zinc/87/87/29/570878729.db2.gz JRZFZHMDODLMIS-KRWDZBQOSA-N -1 0 396.270 4.728 50 0 GJAARM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626944 570879194 /nfs/dbraw/zinc/87/91/94/570879194.db2.gz HETRQTLKVFABGG-KBXCAEBGSA-N -1 0 389.879 4.565 50 0 GJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2[n-]c1=S ZINC000003631145 570879529 /nfs/dbraw/zinc/87/95/29/570879529.db2.gz ITXLGOKYBFDPIF-UHFFFAOYSA-N -1 0 399.491 4.949 50 0 GJAARM CCCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 ZINC000016780616 570933645 /nfs/dbraw/zinc/93/36/45/570933645.db2.gz GNPRNLNIWHVLAW-UHFFFAOYSA-N -1 0 383.897 4.637 50 0 GJAARM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000012648345 570935375 /nfs/dbraw/zinc/93/53/75/570935375.db2.gz YIUIPXDHCVQSNN-UHFFFAOYSA-N -1 0 383.860 4.684 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000005441686 570947417 /nfs/dbraw/zinc/94/74/17/570947417.db2.gz FJUCQYUXJZEVIC-IBGZPJMESA-N -1 0 379.437 4.717 50 0 biogenic GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)s1 ZINC000046056354 571016025 /nfs/dbraw/zinc/01/60/25/571016025.db2.gz SLPQETHYQIKRKF-OAHLLOKOSA-N -1 0 399.903 4.767 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC(C)C)c(C)c1 ZINC000017247144 210208512 /nfs/dbraw/zinc/20/85/12/210208512.db2.gz HRJRQXOIPLRHSL-UHFFFAOYSA-N -1 0 398.532 4.505 50 0 GJAARM COc1ccc(-c2nnc(Nc3ccc(Nc4ccccc4)cc3)[n-]c2=O)cc1 ZINC000016806911 210197469 /nfs/dbraw/zinc/19/74/69/210197469.db2.gz GFLWUULHIQBIMG-UHFFFAOYSA-N -1 0 385.427 4.740 50 0 GJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015081519 210151900 /nfs/dbraw/zinc/15/19/00/210151900.db2.gz JYPUVNRTPNIZPS-HNNXBMFYSA-N -1 0 379.437 4.596 50 0 GJAARM Cc1cc(C(=O)COc2ccc(C(=O)[O-])cc2)c(C)n1CCC1=CCCCC1 ZINC000012852236 210018084 /nfs/dbraw/zinc/01/80/84/210018084.db2.gz RWVDYJTUTFHHDX-UHFFFAOYSA-N -1 0 381.472 4.955 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012536319 209970139 /nfs/dbraw/zinc/97/01/39/209970139.db2.gz YRZVVYCIKSFNGL-UHFFFAOYSA-N -1 0 391.496 4.752 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005094683 209569259 /nfs/dbraw/zinc/56/92/59/209569259.db2.gz PWIGSLKLZDUOPX-SJORKVTESA-N -1 0 380.469 4.793 50 0 GJAARM CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(C)c(C)c1 ZINC000004920543 209546315 /nfs/dbraw/zinc/54/63/15/209546315.db2.gz WMKYFDZROPBFEV-UHFFFAOYSA-N -1 0 384.863 4.732 50 0 GJAARM O=C([N-]C(=O)c1c(Cl)cccc1Cl)Oc1ccc(C(F)(F)F)cc1 ZINC000001040722 209292863 /nfs/dbraw/zinc/29/28/63/209292863.db2.gz RDLBXKYBWGQTMY-UHFFFAOYSA-N -1 0 378.133 4.941 50 0 GJAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000000704317 209260229 /nfs/dbraw/zinc/26/02/29/209260229.db2.gz OZZZSUXNVODRQC-UHFFFAOYSA-N -1 0 389.480 4.649 50 0 GJAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4ccccc4c3)sc2c1 ZINC000000649450 209255911 /nfs/dbraw/zinc/25/59/11/209255911.db2.gz SEEHIHLJIYLBII-UHFFFAOYSA-N -1 0 384.482 4.649 50 0 GJAARM O=C([O-])C/C(=C\c1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000013078095 209191860 /nfs/dbraw/zinc/19/18/60/209191860.db2.gz FENJHQKTZRHWQQ-KPKJPENVSA-N -1 0 387.844 4.736 50 0 GJAARM COc1ccc(-c2cc(C(=O)[O-])cc(-c3ccc(Br)cc3)n2)cc1 ZINC000328579107 203776936 /nfs/dbraw/zinc/77/69/36/203776936.db2.gz RIGASWYCUSJGLO-UHFFFAOYSA-N -1 0 384.229 4.885 50 0 GJAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1 ZINC000002882988 203971529 /nfs/dbraw/zinc/97/15/29/203971529.db2.gz HKLVIPMSTPPXLS-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM O=C([O-])CCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 ZINC000004325130 204038937 /nfs/dbraw/zinc/03/89/37/204038937.db2.gz FXIDMLWZAFOIJA-UHFFFAOYSA-N -1 0 384.284 4.626 50 0 GJAARM CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000004695976 204065410 /nfs/dbraw/zinc/06/54/10/204065410.db2.gz VXSCZTAHWYMJMG-OVCLIPMQSA-N -1 0 391.832 4.743 50 0 GJAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000004825412 204079222 /nfs/dbraw/zinc/07/92/22/204079222.db2.gz MWENSEUPRAKNKU-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM CCc1ccc(-c2nc(-c3cc4ccccc4oc3=O)sc2CC(=O)[O-])cc1 ZINC000004600492 204056465 /nfs/dbraw/zinc/05/64/65/204056465.db2.gz HDQGWGPVLJWOLN-UHFFFAOYSA-N -1 0 391.448 4.773 50 0 GJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 ZINC000004928661 204092679 /nfs/dbraw/zinc/09/26/79/204092679.db2.gz BULZSZQMNJCECY-QFIPXVFZSA-N -1 0 395.418 4.525 50 0 GJAARM Cc1cccc(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)[O-])c3)cc2)c1C ZINC000009356483 204308968 /nfs/dbraw/zinc/30/89/68/204308968.db2.gz UQIUAQPNAMXWKZ-UHFFFAOYSA-N -1 0 397.452 4.595 50 0 GJAARM O=C([O-])C/C(=C/c1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000039969524 205044596 /nfs/dbraw/zinc/04/45/96/205044596.db2.gz FENJHQKTZRHWQQ-GHXNOFRVSA-N -1 0 387.844 4.736 50 0 GJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1cccc(F)c1 ZINC000064797557 205195605 /nfs/dbraw/zinc/19/56/05/205195605.db2.gz MTGZRISMLIJBJZ-CQSZACIVSA-N -1 0 385.391 4.866 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2F)CC(=O)N3)cc1 ZINC000064797008 205195998 /nfs/dbraw/zinc/19/59/98/205195998.db2.gz BODFBILEZOLKFH-AWEZNQCLSA-N -1 0 397.427 4.735 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1-c1ccno1 ZINC000064845249 205197711 /nfs/dbraw/zinc/19/77/11/205197711.db2.gz NJDQVAWMGXJAFA-UHFFFAOYSA-N -1 0 384.482 4.974 50 0 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CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)s1 ZINC000046056341 571016143 /nfs/dbraw/zinc/01/61/43/571016143.db2.gz FOAJNGQDQVYLRV-KRWDZBQOSA-N -1 0 393.512 4.676 50 0 GJAARM CC[C@@H](C)Sc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 ZINC000015723213 210164719 /nfs/dbraw/zinc/16/47/19/210164719.db2.gz FUYGNNMZBFXUJL-MRXNPFEDSA-N -1 0 380.513 4.728 50 0 GJAARM CC(C)c1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)C)c1O ZINC000015414443 210159333 /nfs/dbraw/zinc/15/93/33/210159333.db2.gz SUVMMINLZBWCLC-RTWAWAEBSA-N -1 0 392.499 4.809 50 0 GJAARM CC(C)[C@@H](Nc1nc(Cc2ccccc2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000004891403 209541153 /nfs/dbraw/zinc/54/11/53/209541153.db2.gz CKRYSJREVNBPAY-LJQANCHMSA-N -1 0 395.528 4.682 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000004651908 209506070 /nfs/dbraw/zinc/50/60/70/209506070.db2.gz WCAYKVUDNCORBO-ROUUACIJSA-N -1 0 398.528 4.923 50 0 GJAARM CCCCc1ccc(-n2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002207684 209350029 /nfs/dbraw/zinc/35/00/29/209350029.db2.gz BCLZNZHBGMNTSH-UHFFFAOYSA-N -1 0 399.516 4.965 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001200121 209313112 /nfs/dbraw/zinc/31/31/12/209313112.db2.gz OFOFPJBOJSZDEW-GHMZBOCLSA-N -1 0 399.299 4.946 50 0 GJAARM C[C@@H](c1ccccc1)N1C(=O)c2ccc(Oc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000000990910 209285681 /nfs/dbraw/zinc/28/56/81/209285681.db2.gz YXHYOFGCOMQQIP-AWEZNQCLSA-N -1 0 387.391 4.534 50 0 GJAARM CCOC(=O)c1c2ccc(Sc3ccccc3)c([O-])c2sc1NC(C)=O ZINC000000846741 209271603 /nfs/dbraw/zinc/27/16/03/209271603.db2.gz UHPCKDBBKUZXDE-UHFFFAOYSA-N -1 0 387.482 4.893 50 0 GJAARM COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1 ZINC000096766297 209242089 /nfs/dbraw/zinc/24/20/89/209242089.db2.gz ARIOSGSBEOIGSR-GDNBJRDFSA-N -1 0 375.424 4.827 50 0 GJAARM CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNC(=O)/C=C/C(=O)[O-])CCC[C@]21C ZINC000003983623 204022528 /nfs/dbraw/zinc/02/25/28/204022528.db2.gz FOVDKVLUIXQBIW-YXBPLWBKSA-N -1 0 383.532 4.577 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000004788676 204075563 /nfs/dbraw/zinc/07/55/63/204075563.db2.gz VMSDSBBNXNQGRD-JKSUJKDBSA-N -1 0 378.453 4.569 50 0 GJAARM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000004689309 204063823 /nfs/dbraw/zinc/06/38/23/204063823.db2.gz HTIMCRZFXNWJNF-JTSKRJEESA-N -1 0 395.499 4.834 50 0 GJAARM CCc1[n-]n2c(nc(-c3ccccc3OC)cc2=O)c1-c1ccc(Cl)cc1 ZINC000009935418 204327705 /nfs/dbraw/zinc/32/77/05/204327705.db2.gz DKPBKZQYDUXFRV-UHFFFAOYSA-N -1 0 379.847 4.581 50 0 GJAARM C[C@H]1CC(=O)c2cnc([N-]c3nc4ccccc4c(-c4ccccc4)n3)nc2C1 ZINC000009111327 204300018 /nfs/dbraw/zinc/30/00/18/204300018.db2.gz KRDMDJNKTFOOBC-CQSZACIVSA-N -1 0 381.439 4.595 50 0 GJAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000011916141 204361650 /nfs/dbraw/zinc/36/16/50/204361650.db2.gz SOCUXUVPEJLJHE-UHFFFAOYSA-N -1 0 380.882 4.601 50 0 GJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 ZINC000014254992 204532492 /nfs/dbraw/zinc/53/24/92/204532492.db2.gz GKBASQAGXVDWDF-UHFFFAOYSA-N -1 0 387.107 4.618 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)s1 ZINC000046056352 205102696 /nfs/dbraw/zinc/10/26/96/205102696.db2.gz OISUREKSMHCHFI-HNNXBMFYSA-N -1 0 399.903 4.767 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)s1 ZINC000046056338 205102737 /nfs/dbraw/zinc/10/27/37/205102737.db2.gz FOAJNGQDQVYLRV-QGZVFWFLSA-N -1 0 393.512 4.676 50 0 GJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccccc1F ZINC000064797551 205195115 /nfs/dbraw/zinc/19/51/15/205195115.db2.gz KEBRRCWOIMEQFM-CYBMUJFWSA-N -1 0 385.391 4.866 50 0 GJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1cc(C)no1 ZINC000064845515 205197929 /nfs/dbraw/zinc/19/79/29/205197929.db2.gz KMLOXDQXBARDBP-UHFFFAOYSA-N -1 0 390.530 5.000 50 0 GJAARM C/C(=C\[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000112956930 205671862 /nfs/dbraw/zinc/67/18/62/205671862.db2.gz JXTNUXJSXXIIFE-VISDOYDDSA-N -1 0 381.472 4.820 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)c1C ZINC000096341437 211336898 /nfs/dbraw/zinc/33/68/98/211336898.db2.gz LDHAQHMHVSQDAA-UHFFFAOYSA-N -1 0 389.546 4.790 50 0 GJAARM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000095452966 211242829 /nfs/dbraw/zinc/24/28/29/211242829.db2.gz XWAKNXLPMAKYBL-UHFFFAOYSA-N -1 0 385.741 4.579 50 0 GJAARM CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)CCC(=O)[O-])o2)cc1 ZINC000001044622 220475812 /nfs/dbraw/zinc/47/58/12/220475812.db2.gz FDWCELGTGQQMBN-UHFFFAOYSA-N -1 0 393.443 4.504 50 0 GJAARM O=C([O-])c1cccc(Nc2ccnc(Nc3ccc(N4CCCCC4)cc3)n2)c1 ZINC000170621812 136199052 /nfs/dbraw/zinc/19/90/52/136199052.db2.gz CIQJAVMXRZRJKO-UHFFFAOYSA-N -1 0 389.459 4.652 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000001178240 570254458 /nfs/dbraw/zinc/25/44/58/570254458.db2.gz QLQKNNBGTKMQFB-UHFFFAOYSA-N -1 0 398.509 4.657 50 0 GJAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)c1 ZINC000100658343 570274269 /nfs/dbraw/zinc/27/42/69/570274269.db2.gz MIGULWCKVZTZDX-UHFFFAOYSA-N -1 0 378.472 4.622 50 0 GJAARM CC(=C/c1ccccc1)/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000000974451 570280926 /nfs/dbraw/zinc/28/09/26/570280926.db2.gz RDOICLHGZLWRBO-RQGFIEOQSA-N -1 0 381.478 4.737 50 0 GJAARM COc1cc(C(=O)[O-])ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582968 570291522 /nfs/dbraw/zinc/29/15/22/570291522.db2.gz BXXUGEMNFPXBTD-UHFFFAOYSA-N -1 0 389.407 4.754 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002582440 570291527 /nfs/dbraw/zinc/29/15/27/570291527.db2.gz SPUOPTCIVFNKFX-RYUDHWBXSA-N -1 0 383.288 4.554 50 0 GJAARM O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000015942524 570298510 /nfs/dbraw/zinc/29/85/10/570298510.db2.gz SQICBAMCZRXRIV-UHFFFAOYSA-N -1 0 392.839 4.812 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c(=O)o1 ZINC000005441710 570312028 /nfs/dbraw/zinc/31/20/28/570312028.db2.gz IFTOLFFKMKSNOE-IBGZPJMESA-N -1 0 379.437 4.717 50 0 biogenic GJAARM O=C([O-])c1ccc(N2C(=O)c3n[nH]c(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 ZINC000004928659 570371145 /nfs/dbraw/zinc/37/11/45/570371145.db2.gz BULZSZQMNJCECY-JOCHJYFZSA-N -1 0 395.418 4.525 50 0 GJAARM O=S(=O)([N-]c1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000004599004 570386974 /nfs/dbraw/zinc/38/69/74/570386974.db2.gz YWEFFZOTNJNZOR-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM CCc1cc2c(CNc3ccc(OCC(F)(F)F)cc3)cc(=O)oc2cc1O ZINC000011713174 570429697 /nfs/dbraw/zinc/42/96/97/570429697.db2.gz PMNHWCCPXKTASO-UHFFFAOYSA-N -1 0 393.361 4.614 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(F)cc2)CC(=O)N3)cc1 ZINC000064796988 570473064 /nfs/dbraw/zinc/47/30/64/570473064.db2.gz XNVSBTKIHIFVOZ-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl ZINC000006559133 570477355 /nfs/dbraw/zinc/47/73/55/570477355.db2.gz LLRXMSPZXJXQKT-UHFFFAOYSA-N -1 0 399.068 4.696 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)n1 ZINC000064769326 570541676 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397.500 4.817 50 0 GJAARM O=C([O-])CC1(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCCCC1 ZINC000006590098 570487152 /nfs/dbraw/zinc/48/71/52/570487152.db2.gz ALDOCURTARFJFB-UHFFFAOYSA-N -1 0 397.500 4.817 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002736124 570511829 /nfs/dbraw/zinc/51/18/29/570511829.db2.gz NSTQVJHUSUXFQI-SJORKVTESA-N -1 0 384.501 4.813 50 0 GJAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000036293896 570562965 /nfs/dbraw/zinc/56/29/65/570562965.db2.gz AYWSYJTWHIPSFL-UHFFFAOYSA-N -1 0 387.844 4.506 50 0 GJAARM C[C@H]1CCC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000071084643 570616465 /nfs/dbraw/zinc/61/64/65/570616465.db2.gz ZDIWXOUSOHUVGI-WNSKOXEYSA-N -1 0 379.456 4.559 50 0 GJAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(C)cc3)ccc2n1 ZINC000033010243 570622101 /nfs/dbraw/zinc/62/21/01/570622101.db2.gz OSIKDEBPPUUTBR-UHFFFAOYSA-N -1 0 391.471 4.730 50 0 GJAARM CCc1cccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 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/nfs/dbraw/zinc/77/53/49/570775349.db2.gz NCRHWNDCPOBTAP-LGMDPLHJSA-N -1 0 388.467 4.708 50 0 GJAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 ZINC000004651454 570806712 /nfs/dbraw/zinc/80/67/12/570806712.db2.gz DKBMKSLNFMHPCW-CABCVRRESA-N -1 0 390.892 4.849 50 0 GJAARM O=S(=O)([N-]c1ccccc1-c1ccc2ccccc2n1)c1ccccc1F ZINC000033113751 570812286 /nfs/dbraw/zinc/81/22/86/570812286.db2.gz HJTBIXGVTZWHNX-UHFFFAOYSA-N -1 0 378.428 4.842 50 0 GJAARM O=C(c1ccccc1)c1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12 ZINC000014013525 570814856 /nfs/dbraw/zinc/81/48/56/570814856.db2.gz CSKFQARIRTYJSO-UHFFFAOYSA-N -1 0 392.414 4.655 50 0 GJAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(Cl)cc1C(F)(F)F ZINC000012526103 570830668 /nfs/dbraw/zinc/83/06/68/570830668.db2.gz GWDHGJFFUKCFMT-UHFFFAOYSA-N -1 0 386.782 4.708 50 0 GJAARM CCCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(SC)cc3)no2)c1=O ZINC000101725380 570831354 /nfs/dbraw/zinc/83/13/54/570831354.db2.gz FYBVPHLXLXIQIY-UHFFFAOYSA-N -1 0 393.468 4.556 50 0 GJAARM O=c1cc(C=Cc2cc(Cl)cc(Br)c2[O-])[nH]c2ccccc12 ZINC000015016843 570871702 /nfs/dbraw/zinc/87/17/02/570871702.db2.gz PXPRDFVLDFTOEM-AATRIKPKSA-N -1 0 376.637 4.820 50 0 GJAARM Cc1c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc(=O)c1CC(=O)[O-] ZINC000002095585 570941220 /nfs/dbraw/zinc/94/12/20/570941220.db2.gz KPZDXPULUYKPQF-UHFFFAOYSA-N -1 0 393.222 4.614 50 0 biogenic GJAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1Cc1cccc(Cl)c1 ZINC000018029783 570950197 /nfs/dbraw/zinc/95/01/97/570950197.db2.gz TWTMUXFGWKTIMN-UHFFFAOYSA-N -1 0 396.903 4.675 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)c1C ZINC000033306734 570967219 /nfs/dbraw/zinc/96/72/19/570967219.db2.gz KLXXVEFRYYBRIE-UHFFFAOYSA-N -1 0 389.546 4.790 50 0 GJAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000170675980 571008418 /nfs/dbraw/zinc/00/84/18/571008418.db2.gz GLEONLDPXFUPNQ-UHFFFAOYSA-N -1 0 397.258 4.554 50 0 GJAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000046053652 571015125 /nfs/dbraw/zinc/01/51/25/571015125.db2.gz LTCVUSGWAIEADT-MRXNPFEDSA-N -1 0 392.480 4.693 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000046084630 571022426 /nfs/dbraw/zinc/02/24/26/571022426.db2.gz CVNYHSDFZXHMMJ-OGIXOUOVSA-N -1 0 390.564 4.686 50 0 GJAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)Nc1ccc(C)cc1 ZINC000015671532 210160485 /nfs/dbraw/zinc/16/04/85/210160485.db2.gz QWOITWCCIPZTBM-UHFFFAOYSA-N -1 0 398.532 4.801 50 0 GJAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005199505 209579981 /nfs/dbraw/zinc/57/99/81/209579981.db2.gz LRIUCVQDZOCJSG-KDOFPFPSSA-N -1 0 393.405 4.840 50 0 GJAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(=O)[O-])C1 ZINC000004724104 209516522 /nfs/dbraw/zinc/51/65/22/209516522.db2.gz GCJUIPVZVSDRKW-NSHDSACASA-N -1 0 375.465 4.989 50 0 GJAARM O=C([O-])CS[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003126301 209412715 /nfs/dbraw/zinc/41/27/15/209412715.db2.gz YGMUOBBNYXJLCS-MRXNPFEDSA-N -1 0 379.275 4.581 50 0 GJAARM COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)[O-])c1 ZINC000002582965 209369987 /nfs/dbraw/zinc/36/99/87/209369987.db2.gz KSFFCSQFNZYKTE-UHFFFAOYSA-N -1 0 389.407 4.754 50 0 GJAARM O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)cc1 ZINC000002502466 209368638 /nfs/dbraw/zinc/36/86/38/209368638.db2.gz IRKOAYQOUWFUGQ-UHFFFAOYSA-N -1 0 389.889 4.517 50 0 GJAARM O=C([O-])c1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 ZINC000002751326 209382656 /nfs/dbraw/zinc/38/26/56/209382656.db2.gz KIIYRQSJTZQFOD-UHFFFAOYSA-N -1 0 393.782 4.631 50 0 GJAARM Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002137399 209347738 /nfs/dbraw/zinc/34/77/38/209347738.db2.gz GJIPNLTURQXETI-UHFFFAOYSA-N -1 0 380.371 4.979 50 0 biogenic GJAARM O=S(=O)([N-]c1cccc2cccnc21)c1cc(Cl)c(Cl)cc1Cl ZINC000001036271 209291077 /nfs/dbraw/zinc/29/10/77/209291077.db2.gz KWBIQRJDSQWSED-UHFFFAOYSA-N -1 0 387.675 4.996 50 0 GJAARM CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000948612 209282624 /nfs/dbraw/zinc/28/26/24/209282624.db2.gz ZUDKVGYCPPATKH-UHFFFAOYSA-N -1 0 384.819 4.815 50 0 GJAARM COC(=O)c1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033583053 209242862 /nfs/dbraw/zinc/24/28/62/209242862.db2.gz YMZRXIBHJHGDJI-ZSRMJVKVSA-N -1 0 387.435 4.843 50 0 GJAARM CCOc1cc2c(cc1/C=C(/CC(=O)[O-])c1nc3ccccc3o1)O[C@@H](C)C2 ZINC000096891511 209242475 /nfs/dbraw/zinc/24/24/75/209242475.db2.gz DDPWTARHBUWLPQ-LWLPBDFMSA-N -1 0 379.412 4.565 50 0 GJAARM Cc1oc(C(C)(C)C)cc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)n[nH]1 ZINC000001046799 203877199 /nfs/dbraw/zinc/87/71/99/203877199.db2.gz XFULAYKHYXAAID-UHFFFAOYSA-N -1 0 393.896 4.730 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002764763 203960162 /nfs/dbraw/zinc/96/01/62/203960162.db2.gz VDJHONBBLJSAHT-IRXDYDNUSA-N -1 0 380.469 4.793 50 0 GJAARM COc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)[O-])c(C)c4cc32)cc1 ZINC000004043470 204024886 /nfs/dbraw/zinc/02/48/86/204024886.db2.gz NDSJTCLAYRYLOX-UHFFFAOYSA-N -1 0 378.380 4.540 50 0 biogenic GJAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)[O-])cc1 ZINC000004784799 204075756 /nfs/dbraw/zinc/07/57/56/204075756.db2.gz ALXNPPBJSPYRSL-XMMPIXPASA-N -1 0 396.446 4.773 50 0 GJAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000004506501 204048680 /nfs/dbraw/zinc/04/86/80/204048680.db2.gz ZBIMFLVKCFFJPH-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM CCOc1cc2c(cc1/C=C(\CC(=O)[O-])c1nc3ccccc3o1)O[C@H](C)C2 ZINC000007001037 204229118 /nfs/dbraw/zinc/22/91/18/204229118.db2.gz DDPWTARHBUWLPQ-BPKVKKHESA-N -1 0 379.412 4.565 50 0 GJAARM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000008657335 204283116 /nfs/dbraw/zinc/28/31/16/204283116.db2.gz GTJHSPCDQXRSST-VHXPQNKSSA-N -1 0 383.407 4.923 50 0 GJAARM CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000011566016 204348254 /nfs/dbraw/zinc/34/82/54/204348254.db2.gz YHWXZEJAYFHZAV-UHFFFAOYSA-N -1 0 377.506 4.804 50 0 GJAARM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046056795 205103019 /nfs/dbraw/zinc/10/30/19/205103019.db2.gz RHQXLVVGYZNVJM-AWEZNQCLSA-N -1 0 399.903 4.821 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1-c1ccno1 ZINC000064845080 205198290 /nfs/dbraw/zinc/19/82/90/205198290.db2.gz IYMIJHBVJGEZHV-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)[O-] ZINC000073196066 205354645 /nfs/dbraw/zinc/35/46/45/205354645.db2.gz JWYIGNODXSRKGP-UHFFFAOYSA-N -1 0 388.876 4.797 50 0 investigational GJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)s2)on1 ZINC000096323471 205559126 /nfs/dbraw/zinc/55/91/26/205559126.db2.gz QZORNYDHOYYETA-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM COCc1c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)sc2cccc(F)c21 ZINC000096936616 211353443 /nfs/dbraw/zinc/35/34/43/211353443.db2.gz JXEUAPBGLXVGJO-YFHOEESVSA-N -1 0 385.416 4.537 50 0 GJAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cccnc3Cl)ccc21 ZINC000083840090 211163502 /nfs/dbraw/zinc/16/35/02/211163502.db2.gz MVXDERLHUUXFPA-UHFFFAOYSA-N -1 0 385.876 4.664 50 0 GJAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c12 ZINC000020615545 210354115 /nfs/dbraw/zinc/35/41/15/210354115.db2.gz BRCNHJIHXWGFIE-UHFFFAOYSA-N -1 0 385.345 4.663 50 0 GJAARM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)c(Cl)c1Cl ZINC000001128572 570244758 /nfs/dbraw/zinc/24/47/58/570244758.db2.gz KJZHDZQWWAWTEW-UHFFFAOYSA-N -1 0 378.302 4.525 50 0 GJAARM COc1ccc([C@@H]2CC(=O)CC(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917855 570279225 /nfs/dbraw/zinc/27/92/25/570279225.db2.gz APLRHUIRZISVRH-YOEHRIQHSA-N -1 0 397.780 4.562 50 0 GJAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000002588013 570291544 /nfs/dbraw/zinc/29/15/44/570291544.db2.gz AQESREBWWHWMKM-UHFFFAOYSA-N -1 0 384.863 4.803 50 0 GJAARM O=c1c(N=Nc2ccc3ncsc3c2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000245285835 570292527 /nfs/dbraw/zinc/29/25/27/570292527.db2.gz YWVMTOPYAHBJFX-UHFFFAOYSA-N -1 0 397.463 4.515 50 0 GJAARM O=C([O-])c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000002857238 570310065 /nfs/dbraw/zinc/31/00/65/570310065.db2.gz FFPBVILKCOTCQV-UHFFFAOYSA-N -1 0 385.670 4.610 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2ncnc3sc(-c4ccccc4)cc32)cc1C ZINC000008132330 570358836 /nfs/dbraw/zinc/35/88/36/570358836.db2.gz GQIADHUCGAYTQQ-UHFFFAOYSA-N -1 0 395.509 4.776 50 0 GJAARM Cc1[nH]c2ccccc2c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000004866280 570413531 /nfs/dbraw/zinc/41/35/31/570413531.db2.gz NFAJMWRPWJIFRM-OAHLLOKOSA-N -1 0 386.245 4.680 50 0 GJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1cccc(Cl)c1 ZINC000025763434 570419087 /nfs/dbraw/zinc/41/90/87/570419087.db2.gz DHSOCQATQZEFAM-UHFFFAOYSA-N -1 0 377.625 4.653 50 0 GJAARM O=C([O-])C/C(=C/c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000027121758 570431896 /nfs/dbraw/zinc/43/18/96/570431896.db2.gz ZQQXYEXHHALFKT-YVLHZVERSA-N -1 0 375.453 4.556 50 0 GJAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)Sc1ccc(Cl)cc1 ZINC000005252692 570432613 /nfs/dbraw/zinc/43/26/13/570432613.db2.gz WKDXKJXEVIRIET-HNNXBMFYSA-N -1 0 399.693 4.921 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000005631360 570449434 /nfs/dbraw/zinc/44/94/34/570449434.db2.gz DBKJUQTWUYLUEB-WDEREUQCSA-N -1 0 397.283 4.722 50 0 GJAARM CCOC(=O)c1ccc(-c2c(=O)c3cc(CC)c([O-])cc3oc2C(F)(F)F)o1 ZINC000005961455 570463370 /nfs/dbraw/zinc/46/33/70/570463370.db2.gz UUAJIQZUKLNTPP-UHFFFAOYSA-N -1 0 396.317 4.517 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccccc2C)CC(=O)N3)cc1 ZINC000064796664 570546874 /nfs/dbraw/zinc/54/68/74/570546874.db2.gz BLXIEYWJAOCJRW-INIZCTEOSA-N -1 0 393.464 4.904 50 0 GJAARM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1cccc2cccnc21 ZINC000014257225 570839501 /nfs/dbraw/zinc/83/95/01/570839501.db2.gz UJDFEXAGIOUMIC-UHFFFAOYSA-N -1 0 390.464 4.615 50 0 GJAARM O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccccn3)C12 ZINC000102752924 570862150 /nfs/dbraw/zinc/86/21/50/570862150.db2.gz CDAUPVNDJBUNPR-XIKOKIGWSA-N -1 0 393.834 4.747 50 0 GJAARM CCOC(=O)C(=C(O)CSc1ccc2ccccc2c1)c1nc(C)cs1 ZINC000103034686 570873561 /nfs/dbraw/zinc/87/35/61/570873561.db2.gz IFQAWWJLIPAPOT-GOSISDBHSA-N -1 0 385.510 4.613 50 0 GJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1O ZINC000015082133 570879309 /nfs/dbraw/zinc/87/93/09/570879309.db2.gz WQMJEICGMAABLJ-CYBMUJFWSA-N -1 0 395.436 4.951 50 0 GJAARM C[C@@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000381888246 570914282 /nfs/dbraw/zinc/91/42/82/570914282.db2.gz CJXLKGZDLUALHA-NZQKXSOJSA-N -1 0 379.456 4.559 50 0 GJAARM O=c1c2cc(Cl)cc(Cl)c2nc(-c2cccc(C(F)(F)F)c2)n1[O-] ZINC000004059950 570927052 /nfs/dbraw/zinc/92/70/52/570927052.db2.gz UXCWJQQXVMMUFW-UHFFFAOYSA-N -1 0 375.133 4.626 50 0 GJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3c(C)cccc3C)s2)c1=O ZINC000015671482 571040845 /nfs/dbraw/zinc/04/08/45/571040845.db2.gz WRKDNHOKQTURMG-UHFFFAOYSA-N -1 0 398.532 4.863 50 0 GJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000009320856 209823383 /nfs/dbraw/zinc/82/33/83/209823383.db2.gz BREBTKGEDCUXJL-UHFFFAOYSA-N -1 0 395.889 4.532 50 0 GJAARM CSCC[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002547864 209370158 /nfs/dbraw/zinc/37/01/58/209370158.db2.gz MKMMLNFAHQVAQN-OAHLLOKOSA-N -1 0 399.512 4.512 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 ZINC000001117548 209302195 /nfs/dbraw/zinc/30/21/95/209302195.db2.gz BHQXRJRHQPVUGC-UHFFFAOYSA-N -1 0 387.107 4.618 50 0 GJAARM CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cccs1)c1ccccc21 ZINC000000793396 209264662 /nfs/dbraw/zinc/26/46/62/209264662.db2.gz LAEUBKALTCQPAM-UHFFFAOYSA-N -1 0 385.466 4.959 50 0 GJAARM O=C([O-])CC/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000013026089 209192864 /nfs/dbraw/zinc/19/28/64/209192864.db2.gz BBDZNIZTGBIEDH-LDADJPATSA-N -1 0 389.480 4.947 50 0 GJAARM Cc1c(NC(=O)CSCc2ccc(Cl)cc2Cl)cccc1C(=O)[O-] ZINC000002850433 203968042 /nfs/dbraw/zinc/96/80/42/203968042.db2.gz CHKVCOHMBJWHHA-UHFFFAOYSA-N -1 0 384.284 4.872 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000003864118 204021213 /nfs/dbraw/zinc/02/12/13/204021213.db2.gz WCAYKVUDNCORBO-MSOLQXFVSA-N -1 0 398.528 4.923 50 0 GJAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004009231 204022237 /nfs/dbraw/zinc/02/22/37/204022237.db2.gz GMHJRNXTYLHMIS-FQEVSTJZSA-N -1 0 398.890 4.835 50 0 GJAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCCC)cc2)c1=O ZINC000005737733 204148629 /nfs/dbraw/zinc/14/86/29/204148629.db2.gz QTWKHFBYQFOTHH-UHFFFAOYSA-N -1 0 394.471 4.548 50 0 GJAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000005583798 204141428 /nfs/dbraw/zinc/14/14/28/204141428.db2.gz UKTMKQVBXSKYBT-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM O=C([O-])c1ccccc1N1N=C(c2ccccc2)C[C@@H]1CC(=O)c1ccccc1 ZINC000006668850 204190675 /nfs/dbraw/zinc/19/06/75/204190675.db2.gz UTDXPNMECYJFJX-LJQANCHMSA-N -1 0 384.435 4.641 50 0 GJAARM O=C([O-])c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000006751075 204200059 /nfs/dbraw/zinc/20/00/59/204200059.db2.gz BXTOVTSOODLLQK-UHFFFAOYSA-N -1 0 393.443 4.609 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000007402105 204241125 /nfs/dbraw/zinc/24/11/25/204241125.db2.gz IVQFASGZUKSWBA-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc(I)cc1 ZINC000008731858 204287696 /nfs/dbraw/zinc/28/76/96/204287696.db2.gz VIACNOMAKCIAAP-ZROIWOOFSA-N -1 0 384.600 4.570 50 0 GJAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)c1C ZINC000009686651 204320935 /nfs/dbraw/zinc/32/09/35/204320935.db2.gz DXFFUIMGMGRANE-UHFFFAOYSA-N -1 0 381.910 4.518 50 0 GJAARM O=C([O-])c1ccc(C=C(Cl)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1 ZINC000037392861 205026188 /nfs/dbraw/zinc/02/61/88/205026188.db2.gz KHXBEJOCPCBNHO-LCYFTJDESA-N -1 0 386.860 4.711 50 0 GJAARM O=S1(=O)c2cc3ccccc3cc2C([O-])=C1c1cccc(C(F)(F)F)c1 ZINC000044122675 205084458 /nfs/dbraw/zinc/08/44/58/205084458.db2.gz DWGGWHYDZDEEJP-GOSISDBHSA-N -1 0 376.355 4.570 50 0 GJAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc(C(F)(F)F)c1 ZINC000047932208 205113318 /nfs/dbraw/zinc/11/33/18/205113318.db2.gz GUPFOODUBMMJFJ-VIFPVBQESA-N -1 0 393.390 4.508 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)s1 ZINC000046056349 205103697 /nfs/dbraw/zinc/10/36/97/205103697.db2.gz OISUREKSMHCHFI-OAHLLOKOSA-N -1 0 399.903 4.767 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1cc(C)no1 ZINC000064845572 205198726 /nfs/dbraw/zinc/19/87/26/205198726.db2.gz HTXGTUGSLMGDGJ-UHFFFAOYSA-N -1 0 392.502 4.528 50 0 GJAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1 ZINC000064920281 205200653 /nfs/dbraw/zinc/20/06/53/205200653.db2.gz FBJKQYYGCOQPDC-UHFFFAOYSA-N -1 0 389.502 4.600 50 0 GJAARM Cc1cccc([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c1C ZINC000065112486 205210334 /nfs/dbraw/zinc/21/03/34/205210334.db2.gz QJFXTZKIJKCEKP-UHFFFAOYSA-N -1 0 375.519 4.610 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000064795651 205194819 /nfs/dbraw/zinc/19/48/19/205194819.db2.gz RICRIJFLQNZICO-CQSZACIVSA-N -1 0 399.855 4.946 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)n1 ZINC000064769298 205195464 /nfs/dbraw/zinc/19/54/64/205195464.db2.gz AVKZNJWFAAFUGA-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccc(C)c2)CC(=O)N3)cc1 ZINC000064796677 205195685 /nfs/dbraw/zinc/19/56/85/205195685.db2.gz GVQFZLVQPJSSCD-MRXNPFEDSA-N -1 0 393.464 4.904 50 0 GJAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820399 205196653 /nfs/dbraw/zinc/19/66/53/205196653.db2.gz CFGJCSWRYKRTDZ-UHFFFAOYSA-N -1 0 386.467 4.895 50 0 GJAARM CCc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c1 ZINC000064845541 205198207 /nfs/dbraw/zinc/19/82/07/205198207.db2.gz FPTNTTHIOKCVCI-UHFFFAOYSA-N -1 0 376.503 4.692 50 0 GJAARM O=C([O-])c1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C(F)(F)F ZINC000261494773 206183386 /nfs/dbraw/zinc/18/33/86/206183386.db2.gz FMBAOWIZKYJAQE-UHFFFAOYSA-N -1 0 376.665 4.594 50 0 GJAARM CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000956368 206210528 /nfs/dbraw/zinc/21/05/28/206210528.db2.gz BQIIWKOVXZWVSO-UHFFFAOYSA-N -1 0 389.451 4.728 50 0 GJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000100658338 211388522 /nfs/dbraw/zinc/38/85/22/211388522.db2.gz MAEOZURJGKZIJS-UHFFFAOYSA-N -1 0 378.472 4.766 50 0 GJAARM CC(C)CCn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100470173 211387047 /nfs/dbraw/zinc/38/70/47/211387047.db2.gz WEFFOHUEHWPWDO-UHFFFAOYSA-N -1 0 384.863 4.659 50 0 GJAARM CCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100504413 211385577 /nfs/dbraw/zinc/38/55/77/211385577.db2.gz QNVKBCYSFMSJIG-UHFFFAOYSA-N -1 0 382.435 4.679 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccsc2)CC(=O)N3)cc1 ZINC000064797064 210948166 /nfs/dbraw/zinc/94/81/66/210948166.db2.gz SCJJTYDPKKAERC-ZDUSSCGKSA-N -1 0 385.466 4.658 50 0 GJAARM COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000033621265 210651283 /nfs/dbraw/zinc/65/12/83/210651283.db2.gz WHJKJQHHFCBZKD-QINSGFPZSA-N -1 0 375.424 4.827 50 0 GJAARM CN(C(=O)Oc1ccccc1)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000001231757 570259349 /nfs/dbraw/zinc/25/93/49/570259349.db2.gz ALRFGYZEJKUBCP-UHFFFAOYSA-N -1 0 393.283 4.634 50 0 GJAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1nccs1 ZINC000001603878 570265613 /nfs/dbraw/zinc/26/56/13/570265613.db2.gz PEKOAGVRKDREMQ-UHFFFAOYSA-N -1 0 386.043 4.707 50 0 GJAARM COc1ccc([C@H](NCc2ccccc2)[P@](=O)([O-])CCc2ccccc2)cc1 ZINC000020567237 570268117 /nfs/dbraw/zinc/26/81/17/570268117.db2.gz LDEIBDPASBMKHI-HSZRJFAPSA-N -1 0 395.439 4.997 50 0 GJAARM O=C([O-])c1cc(-c2cc(F)c(Cl)cc2Cl)nn1-c1ccc(F)cc1F ZINC000002541890 570290338 /nfs/dbraw/zinc/29/03/38/570290338.db2.gz GMXZRWNHWHAQKS-UHFFFAOYSA-N -1 0 387.144 4.962 50 0 GJAARM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1 ZINC000002970517 570320677 /nfs/dbraw/zinc/32/06/77/570320677.db2.gz MOGDSIWEUDLNRF-KBFCKHRLSA-N -1 0 386.447 4.628 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C ZINC000001574296 570322289 /nfs/dbraw/zinc/32/22/89/570322289.db2.gz RMEZJKHOZLUOHB-WZDDYSHLSA-N -1 0 388.548 4.606 50 0 GJAARM Cc1ccc(N2C(=O)c3ccccc3N[C@@]2(C(=O)[O-])c2ccccc2)cc1Cl ZINC000004708858 570396456 /nfs/dbraw/zinc/39/64/56/570396456.db2.gz OJGKTLMXHSFTAM-QFIPXVFZSA-N -1 0 392.842 4.658 50 0 GJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccccc1Br ZINC000007402863 570504470 /nfs/dbraw/zinc/50/44/70/570504470.db2.gz GUFOXZJWLFMORO-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nc(C(C)C)cs2)s1 ZINC000064769499 570541992 /nfs/dbraw/zinc/54/19/92/570541992.db2.gz PWBAWNLHRRPDNL-UHFFFAOYSA-N -1 0 394.543 4.804 50 0 GJAARM Cn1cnc2c1cc(C(=O)[O-])c(Nc1ccc(Br)cc1Cl)c2F ZINC000035067228 570549142 /nfs/dbraw/zinc/54/91/42/570549142.db2.gz XAAPQRFIXGDKPZ-UHFFFAOYSA-N -1 0 398.619 4.570 50 0 GJAARM O=C([O-])CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000070915568 570596277 /nfs/dbraw/zinc/59/62/77/570596277.db2.gz BLEWZDAVWPLFAA-INIZCTEOSA-N -1 0 379.456 4.512 50 0 GJAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)s2)o1 ZINC000065003911 570644078 /nfs/dbraw/zinc/64/40/78/570644078.db2.gz FEEMLVFCTYKMBR-UHFFFAOYSA-N -1 0 388.392 4.531 50 0 GJAARM CSCC[C@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000006850307 570647976 /nfs/dbraw/zinc/64/79/76/570647976.db2.gz VNUFJGXQRBFQHB-HNNXBMFYSA-N -1 0 393.468 4.661 50 0 GJAARM Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012395960 570652818 /nfs/dbraw/zinc/65/28/18/570652818.db2.gz SELAFZSNYCXVOM-UHFFFAOYSA-N -1 0 377.831 4.807 50 0 GJAARM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 ZINC000033048493 570699710 /nfs/dbraw/zinc/69/97/10/570699710.db2.gz DPUAGDSQVZYYBT-UHFFFAOYSA-N -1 0 395.105 4.865 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)s2)cs1 ZINC000065138152 570708311 /nfs/dbraw/zinc/70/83/11/570708311.db2.gz NPQCXQUJXMVPMX-UHFFFAOYSA-N -1 0 378.544 4.906 50 0 GJAARM CC(C)c1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)cc1 ZINC000065150379 570711560 /nfs/dbraw/zinc/71/15/60/570711560.db2.gz CKFPUCKJSOEBSU-UHFFFAOYSA-N -1 0 382.485 4.550 50 0 GJAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1CCCc1cccnc1 ZINC000065395869 570765408 /nfs/dbraw/zinc/76/54/08/570765408.db2.gz CNQOWFWHFTXZJW-UHFFFAOYSA-N -1 0 383.451 4.943 50 0 GJAARM O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@H]([C@H]1CC=CCC1)CC(=O)O2 ZINC000524731881 570766973 /nfs/dbraw/zinc/76/69/73/570766973.db2.gz NPFREZSWVDKTAI-HOCLYGCPSA-N -1 0 388.419 4.915 50 0 biogenic GJAARM O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004163059 570787160 /nfs/dbraw/zinc/78/71/60/570787160.db2.gz ZZMDCGIDRVEUOO-HTLFUODRSA-N -1 0 385.847 4.818 50 0 GJAARM CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)[O-])cc21 ZINC000004670287 570816818 /nfs/dbraw/zinc/81/68/18/570816818.db2.gz PYWNYUXJYDDOSP-NVNXTCNLSA-N -1 0 379.359 4.513 50 0 GJAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1Br ZINC000013135228 570833976 /nfs/dbraw/zinc/83/39/76/570833976.db2.gz WISKFMYPJQSKBJ-UHFFFAOYSA-N -1 0 398.322 4.556 50 0 GJAARM O=C([O-])[C@@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632640 570853330 /nfs/dbraw/zinc/85/33/30/570853330.db2.gz YDLDAMFCNLVPGY-QFIPXVFZSA-N -1 0 385.419 4.577 50 0 GJAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003623785 570878620 /nfs/dbraw/zinc/87/86/20/570878620.db2.gz OPCIPTMOZIXPGV-QGZVFWFLSA-N -1 0 396.270 4.728 50 0 GJAARM CCCOc1cc2cc(C(=O)c3cc(F)ccc3[O-])cnc2cc1OCCC ZINC000012612119 570890361 /nfs/dbraw/zinc/89/03/61/570890361.db2.gz OWLJNCLABHAVSR-UHFFFAOYSA-N -1 0 383.419 4.888 50 0 GJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000032926334 570938444 /nfs/dbraw/zinc/93/84/44/570938444.db2.gz YBWVLKRMEFITBS-UHFFFAOYSA-N -1 0 378.664 4.650 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2C(F)(F)F ZINC000066089638 230949042 /nfs/dbraw/zinc/94/90/42/230949042.db2.gz DNYHBMFFRJRQFS-QMMMGPOBSA-N -1 0 375.755 4.755 50 0 GJAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1Cc1ccc(F)cc1 ZINC000017078102 210202630 /nfs/dbraw/zinc/20/26/30/210202630.db2.gz SJKCAPZCTBYZOR-UHFFFAOYSA-N -1 0 382.485 4.899 50 0 GJAARM COc1ccc(Cc2nnc(Nc3ccc(Nc4ccccc4)cc3)[n-]c2=O)cc1 ZINC000016777422 210196231 /nfs/dbraw/zinc/19/62/31/210196231.db2.gz NIPBOCZGDVKYNO-UHFFFAOYSA-N -1 0 399.454 4.664 50 0 GJAARM CC(C)CCN(CCC(C)C)C(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013086222 210049023 /nfs/dbraw/zinc/04/90/23/210049023.db2.gz ACXVCPWQPBRFEB-UHFFFAOYSA-N -1 0 385.504 4.838 50 0 GJAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000004671905 209509122 /nfs/dbraw/zinc/50/91/22/209509122.db2.gz RTJPWVVBBDIEMG-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 ZINC000002585879 209370268 /nfs/dbraw/zinc/37/02/68/209370268.db2.gz OTFVOIGWAZDVSI-IBGZPJMESA-N -1 0 393.464 4.803 50 0 GJAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002510588 209368936 /nfs/dbraw/zinc/36/89/36/209368936.db2.gz AGSTVRGPOSEJQQ-HSZRJFAPSA-N -1 0 399.446 4.620 50 0 GJAARM Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2)c(C)c1C ZINC000002092262 209346391 /nfs/dbraw/zinc/34/63/91/209346391.db2.gz INOSPZAMIUOTJX-UHFFFAOYSA-N -1 0 394.467 4.850 50 0 biogenic GJAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000001177813 209310999 /nfs/dbraw/zinc/31/09/99/209310999.db2.gz UGDHSECGBGLVBQ-UHFFFAOYSA-N -1 0 397.434 4.798 50 0 GJAARM Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002151572 203928632 /nfs/dbraw/zinc/92/86/32/203928632.db2.gz NENBDFQKXWUNCK-UHFFFAOYSA-N -1 0 386.831 4.659 50 0 biogenic GJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)Sc1ccc(Br)cc1 ZINC000004118559 204027764 /nfs/dbraw/zinc/02/77/64/204027764.db2.gz VXTHNDXOCYFEOY-OAHLLOKOSA-N -1 0 399.693 4.921 50 0 GJAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000004713303 204067892 /nfs/dbraw/zinc/06/78/92/204067892.db2.gz YNIBZSNKNOYVGX-NSHDSACASA-N -1 0 386.662 4.919 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000004788661 204075815 /nfs/dbraw/zinc/07/58/15/204075815.db2.gz VMSDSBBNXNQGRD-HOTGVXAUSA-N -1 0 378.453 4.569 50 0 GJAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2cc1C ZINC000004487078 204047728 /nfs/dbraw/zinc/04/77/28/204047728.db2.gz ZXQMKUVYRCRUMU-HNNXBMFYSA-N -1 0 399.454 4.594 50 0 GJAARM O=C([O-])C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 ZINC000004580600 204055917 /nfs/dbraw/zinc/05/59/17/204055917.db2.gz MJEFZJLSMDPVDN-CYBMUJFWSA-N -1 0 377.824 4.640 50 0 GJAARM CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCCCCC(=O)[O-])CO1 ZINC000005243649 204121065 /nfs/dbraw/zinc/12/10/65/204121065.db2.gz ATIUXAHPGDUPTL-UHFFFAOYSA-N -1 0 386.517 4.776 50 0 GJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000006147273 204168453 /nfs/dbraw/zinc/16/84/53/204168453.db2.gz DJFPBMZAWHOREB-UHFFFAOYSA-N -1 0 398.465 4.547 50 0 GJAARM COc1ccc(/C=C2\CCCc3c2nc2ccc(C)cc2c3C(=O)[O-])cc1O ZINC000006450374 204178999 /nfs/dbraw/zinc/17/89/99/204178999.db2.gz YFSJORYFTRLFCD-RVDMUPIBSA-N -1 0 375.424 4.833 50 0 GJAARM O=S(=O)([N-]c1nc2c(ccc3ccccc23)s1)c1ccc(Cl)s1 ZINC000006509955 204181808 /nfs/dbraw/zinc/18/18/08/204181808.db2.gz MOEFKQFPYSSKKD-UHFFFAOYSA-N -1 0 380.903 4.965 50 0 GJAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000006585684 204184587 /nfs/dbraw/zinc/18/45/87/204184587.db2.gz KSRZMEILZGDLNK-FGZHOGPDSA-N -1 0 387.435 4.574 50 0 GJAARM Cc1cccc(Cn2c(SCc3ccc(C(=O)[O-])cc3)nc3cccnc32)c1 ZINC000006751090 204199388 /nfs/dbraw/zinc/19/93/88/204199388.db2.gz KJMBGIUTUVRIPQ-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM Cc1oc(CSc2nnc(Nc3cccc(C)c3C)s2)cc1C(=O)[O-] ZINC000008718231 204286478 /nfs/dbraw/zinc/28/64/78/204286478.db2.gz NBWLAXWOCWWECB-UHFFFAOYSA-N -1 0 375.475 4.790 50 0 GJAARM COc1cc2c(cc1/C=C(\CC(=O)[O-])c1nc3ccccc3s1)O[C@@H](C)C2 ZINC000009481563 204313035 /nfs/dbraw/zinc/31/30/35/204313035.db2.gz DYFSFEGMEQKNSI-AAWHYMEISA-N -1 0 381.453 4.644 50 0 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379.416 4.864 50 0 GJAARM O=C([O-])C(Cc1ccccc1Br)Cc1ccccc1Br ZINC000037528815 205028507 /nfs/dbraw/zinc/02/85/07/205028507.db2.gz FAZQZUMWPVGWEC-UHFFFAOYSA-N -1 0 398.094 4.698 50 0 GJAARM CC1(C)CC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c2ccccc21 ZINC000063864919 205186915 /nfs/dbraw/zinc/18/69/15/205186915.db2.gz BROYXQWANHXWJB-MRXNPFEDSA-N -1 0 379.485 4.540 50 0 GJAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccnn2C(C)C)cs1 ZINC000065112527 205210396 /nfs/dbraw/zinc/21/03/96/205210396.db2.gz FFPJHYCHXZCGLB-UHFFFAOYSA-N -1 0 393.559 4.715 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2C)CC(=O)N3)cc1 ZINC000064796669 205195362 /nfs/dbraw/zinc/19/53/62/205195362.db2.gz BLXIEYWJAOCJRW-MRXNPFEDSA-N -1 0 393.464 4.904 50 0 GJAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1cc(C)no1 ZINC000064845384 205197820 /nfs/dbraw/zinc/19/78/20/205197820.db2.gz SJXWEWIPPXSMGI-UHFFFAOYSA-N -1 0 376.503 4.692 50 0 GJAARM CSc1ccc(-c2nc3cnccn3c2Nc2cccc(C(=O)[O-])c2)cc1 ZINC000065322786 205230520 /nfs/dbraw/zinc/23/05/20/205230520.db2.gz KIZOAUQOIFIZQA-UHFFFAOYSA-N -1 0 376.441 4.560 50 0 GJAARM COc1cc(/C=C\c2nc(C(=O)[O-])c(-c3ccccc3)s2)cc(OC)c1OC ZINC000222211891 211797697 /nfs/dbraw/zinc/79/76/97/211797697.db2.gz KUPAELMDVLJVOJ-KTKRTIGZSA-N -1 0 397.452 4.705 50 0 GJAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1nc2c(s1)CCCC2 ZINC000225528206 206055378 /nfs/dbraw/zinc/05/53/78/206055378.db2.gz GHSBLYYZTOKNKS-UHFFFAOYSA-N -1 0 378.453 4.639 50 0 GJAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1 ZINC000095478053 211248983 /nfs/dbraw/zinc/24/89/83/211248983.db2.gz WXTVLIZFSBUAMP-QGZVFWFLSA-N -1 0 399.859 4.648 50 0 GJAARM Cc1ccccc1[C@@H]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589250 210943091 /nfs/dbraw/zinc/94/30/91/210943091.db2.gz JOHCLGJHKJQSIJ-GOSISDBHSA-N -1 0 392.499 4.816 50 0 GJAARM COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(OC)c1OC ZINC000034736574 210663921 /nfs/dbraw/zinc/66/39/21/210663921.db2.gz RELWKPNUSGLWEZ-UVTDQMKNSA-N -1 0 399.468 4.728 50 0 GJAARM COc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000009059110 221069436 /nfs/dbraw/zinc/06/94/36/221069436.db2.gz XAMRJLARKORAJC-UHFFFAOYSA-N -1 0 392.358 4.538 50 0 GJAARM O=C([O-])c1cccnc1N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067675296 136164722 /nfs/dbraw/zinc/16/47/22/136164722.db2.gz UNUBZHJWHJCPFQ-UHFFFAOYSA-N -1 0 397.434 4.665 50 0 GJAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000098073357 570263277 /nfs/dbraw/zinc/26/32/77/570263277.db2.gz GLUZDOWXORIHKR-UHFFFAOYSA-N -1 0 386.286 4.687 50 0 GJAARM O=C([O-])c1sc2cccc(F)c2c1CSc1ncn(-c2ccccc2)n1 ZINC000012852223 570266549 /nfs/dbraw/zinc/26/65/49/570266549.db2.gz AWUIFPUQVGHSCU-UHFFFAOYSA-N -1 0 385.445 4.612 50 0 GJAARM CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])n2)cc1 ZINC000002091477 570274223 /nfs/dbraw/zinc/27/42/23/570274223.db2.gz VVSCFBOIOAMXIH-DLBZAZTESA-N -1 0 384.501 4.758 50 0 GJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)s2)on1 ZINC000035503152 570377782 /nfs/dbraw/zinc/37/77/82/570377782.db2.gz KKMZLHYFWYJTEB-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)[O-])c2)c1C ZINC000004593106 570386429 /nfs/dbraw/zinc/38/64/29/570386429.db2.gz HGJQNAKTJKGSGW-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c([O-])o1 ZINC000137819609 570398011 /nfs/dbraw/zinc/39/80/11/570398011.db2.gz VAVQDOVUHLLCCN-LJQANCHMSA-N -1 0 379.437 4.717 50 0 GJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c([O-])o1 ZINC000137818602 570398088 /nfs/dbraw/zinc/39/80/88/570398088.db2.gz VAVQDOVUHLLCCN-IBGZPJMESA-N -1 0 379.437 4.717 50 0 GJAARM CN(Cc1ccco1)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1 ZINC000025605125 570416804 /nfs/dbraw/zinc/41/68/04/570416804.db2.gz RDRJLRUTMRGNFH-UHFFFAOYSA-N -1 0 385.876 4.942 50 0 GJAARM O=c1c2c(nc3c(-c4cccc5ccccc54)c(Cc4ccccc4)[n-]n31)CCC2 ZINC000005034977 570425320 /nfs/dbraw/zinc/42/53/20/570425320.db2.gz QVLAMBPQVIRWDV-UHFFFAOYSA-N -1 0 391.474 4.922 50 0 GJAARM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccccc1Br ZINC000028260106 570453770 /nfs/dbraw/zinc/45/37/70/570453770.db2.gz XEDNUYIYMIBWDX-UHFFFAOYSA-N -1 0 396.306 4.571 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(Cl)cc1)NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000064795642 570546930 /nfs/dbraw/zinc/54/69/30/570546930.db2.gz CMWYTOPYEGKNNR-CQSZACIVSA-N -1 0 399.855 4.946 50 0 GJAARM CCN(C(=O)Cc1c2ccccc2n(CC)c1C(=O)[O-])c1cc(C)ccc1C ZINC000006720685 570549896 /nfs/dbraw/zinc/54/98/96/570549896.db2.gz ZGEYKISXMWNTLE-UHFFFAOYSA-N -1 0 378.472 4.572 50 0 GJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCCC3)c([O-])n2n1 ZINC000022852999 570556664 /nfs/dbraw/zinc/55/66/64/570556664.db2.gz XAHJLVWTTICPSA-AWEZNQCLSA-N -1 0 397.331 4.551 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(F)c2)on1 ZINC000064845563 570565571 /nfs/dbraw/zinc/56/55/71/570565571.db2.gz OWMCSKKFPVOLKU-UHFFFAOYSA-N -1 0 380.466 4.577 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000064947008 570603739 /nfs/dbraw/zinc/60/37/39/570603739.db2.gz ZBRQYIPZQKOSCS-UHFFFAOYSA-N -1 0 389.908 4.560 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000064947032 570603824 /nfs/dbraw/zinc/60/38/24/570603824.db2.gz OFUXUGMUOFSRAC-UHFFFAOYSA-N -1 0 383.517 4.722 50 0 GJAARM C[C@@H]1CCC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000071084640 570616433 /nfs/dbraw/zinc/61/64/33/570616433.db2.gz ZDIWXOUSOHUVGI-IQMFZBJNSA-N -1 0 379.456 4.559 50 0 GJAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1C ZINC000012416048 570669942 /nfs/dbraw/zinc/66/99/42/570669942.db2.gz LTFLJIYKTIUFPX-UHFFFAOYSA-N -1 0 384.435 4.565 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)s2)cs1 ZINC000065138153 570708334 /nfs/dbraw/zinc/70/83/34/570708334.db2.gz XKMHTWMGXOHVPW-UHFFFAOYSA-N -1 0 382.507 4.737 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]21C ZINC000253530082 570733137 /nfs/dbraw/zinc/73/31/37/570733137.db2.gz CVNYHSDFZXHMMJ-NOSYBIIDSA-N -1 0 390.564 4.686 50 0 biogenic GJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3ccccc3OC)cc2[n-]c1=S ZINC000003631143 570879481 /nfs/dbraw/zinc/87/94/81/570879481.db2.gz QYUFSDPNTZEQCJ-UHFFFAOYSA-N -1 0 397.500 4.510 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cc(F)ccc1F ZINC000015107231 570881529 /nfs/dbraw/zinc/88/15/29/570881529.db2.gz RXVDCEJQMKEFQJ-ZDUSSCGKSA-N -1 0 385.391 4.866 50 0 GJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])n1 ZINC000005721336 570903486 /nfs/dbraw/zinc/90/34/86/570903486.db2.gz XZIXQJWMYHVUKC-VGOFMYFVSA-N -1 0 396.255 4.898 50 0 GJAARM CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2cc1[O-] ZINC000005444886 570947548 /nfs/dbraw/zinc/94/75/48/570947548.db2.gz MPHUZEMMOJKBQT-UHFFFAOYSA-N -1 0 392.329 4.518 50 0 biogenic GJAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)c1 ZINC000046057392 571017911 /nfs/dbraw/zinc/01/79/11/571017911.db2.gz QYOUBIFREGVVMJ-GOSISDBHSA-N -1 0 399.450 4.798 50 0 GJAARM O=C([O-])c1ccccc1C(=O)N=c1[nH]c2c(s1)CCCCCCCCCC2 ZINC000001889371 212259315 /nfs/dbraw/zinc/25/93/15/212259315.db2.gz VTEMDEMYUQOWDU-UHFFFAOYSA-N -1 0 386.517 4.735 50 0 GJAARM O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000830385 212187143 /nfs/dbraw/zinc/18/71/43/212187143.db2.gz MWTMYLNMSBEAMV-GFCCVEGCSA-N -1 0 385.769 4.631 50 0 GJAARM COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1O ZINC000096766291 212155983 /nfs/dbraw/zinc/15/59/83/212155983.db2.gz HHQNQCNSFXXARE-UVTDQMKNSA-N -1 0 391.423 4.533 50 0 GJAARM CCOc1c(F)c(F)c(COc2ccc3oc(C)c(C(=O)[O-])c3c2)c(F)c1F ZINC000004387787 212146287 /nfs/dbraw/zinc/14/62/87/212146287.db2.gz SWEWQTWHRMCYFZ-UHFFFAOYSA-N -1 0 398.308 4.974 50 0 GJAARM Cc1ccc(Cn2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cn2)cc1 ZINC000000654366 206313251 /nfs/dbraw/zinc/31/32/51/206313251.db2.gz CDYIYFOSUCACOR-UHFFFAOYSA-N -1 0 397.544 4.583 50 0 GJAARM CCCC(CCC)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000692874 206317628 /nfs/dbraw/zinc/31/76/28/206317628.db2.gz NQXQEUKZAKYUQW-UHFFFAOYSA-N -1 0 382.460 4.792 50 0 GJAARM Cc1nn(-c2ccccc2)c2ncc(C(=O)c3c([O-])ccc4ccccc43)cc12 ZINC000000984705 206338727 /nfs/dbraw/zinc/33/87/27/206338727.db2.gz GBZFMDKXLNAYDT-UHFFFAOYSA-N -1 0 379.419 4.819 50 0 GJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000001049376 206345415 /nfs/dbraw/zinc/34/54/15/206345415.db2.gz KHPPYUSZDBJPIJ-UHFFFAOYSA-N -1 0 385.510 4.956 50 0 GJAARM O=C([O-])Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000001178218 206363552 /nfs/dbraw/zinc/36/35/52/206363552.db2.gz VDBUBHNBPHODII-UHFFFAOYSA-N -1 0 389.274 4.943 50 0 GJAARM Cc1c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc(=O)c1CC(=O)[O-] ZINC000002212374 206401631 /nfs/dbraw/zinc/40/16/31/206401631.db2.gz SQKGBBVCDXMSNW-UHFFFAOYSA-N -1 0 380.440 4.605 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002738085 206431893 /nfs/dbraw/zinc/43/18/93/206431893.db2.gz IGDJMRCASYCMPR-SJORKVTESA-N -1 0 384.501 4.847 50 0 GJAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396062 206893573 /nfs/dbraw/zinc/89/35/73/206893573.db2.gz NTBFYDUCZRZGFQ-UHFFFAOYSA-N -1 0 391.377 4.941 50 0 GJAARM CCCOc1ccc2ccccc2c1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000014202367 207016372 /nfs/dbraw/zinc/01/63/72/207016372.db2.gz JLNOGOGDKWHUDZ-UHFFFAOYSA-N -1 0 393.512 4.971 50 0 GJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015081514 207046579 /nfs/dbraw/zinc/04/65/79/207046579.db2.gz JUFMDJXWXSJUSD-HNNXBMFYSA-N -1 0 379.437 4.596 50 0 GJAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000016839911 207078419 /nfs/dbraw/zinc/07/84/19/207078419.db2.gz MGPISYYFJKMISM-UHFFFAOYSA-N -1 0 384.435 4.565 50 0 GJAARM COc1cccc(/C=C/c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000021957727 207243894 /nfs/dbraw/zinc/24/38/94/207243894.db2.gz AULMKKDSDFPSRM-FNORWQNLSA-N -1 0 384.229 4.875 50 0 GJAARM O=C([O-])[C@@H]1Cc2ccccc2[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000032099055 207393205 /nfs/dbraw/zinc/39/32/05/207393205.db2.gz SNHQBYUMRKLGIF-GGAORHGYSA-N -1 0 399.446 4.523 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccc(OCCC(C)C)cc3)nc(=O)c12 ZINC000096765815 208320658 /nfs/dbraw/zinc/32/06/58/208320658.db2.gz CQUCXESHTNTHHN-TWGQIWQCSA-N -1 0 398.484 4.587 50 0 GJAARM O=C([O-])c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915125 220790872 /nfs/dbraw/zinc/79/08/72/220790872.db2.gz SBOOKENTXCMTGP-HXUWFJFHSA-N -1 0 392.842 4.805 50 0 GJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)Sc1ccc(Cl)cc1 ZINC000005252699 220849297 /nfs/dbraw/zinc/84/92/97/220849297.db2.gz WKDXKJXEVIRIET-OAHLLOKOSA-N -1 0 399.693 4.921 50 0 GJAARM Cc1ccc(Cn2c(SCc3ccc(C(=O)[O-])cc3)nc3cccnc32)cc1 ZINC000006751082 220958563 /nfs/dbraw/zinc/95/85/63/220958563.db2.gz XOJLXHQBZWAWPB-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(F)(F)F)[n-]c(=O)c12 ZINC000018207761 221389736 /nfs/dbraw/zinc/38/97/36/221389736.db2.gz NTDRWURVZGQEHX-UHFFFAOYSA-N -1 0 396.678 4.521 50 0 GJAARM CC(C)c1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCCC4)cc1 ZINC000065150569 222103632 /nfs/dbraw/zinc/10/36/32/222103632.db2.gz RNCHLSIMDIUGSY-UHFFFAOYSA-N -1 0 396.512 4.940 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1-c1ccno1 ZINC000064845169 222085064 /nfs/dbraw/zinc/08/50/64/222085064.db2.gz BMTFOLGBCRDNMR-UHFFFAOYSA-N -1 0 376.503 4.944 50 0 GJAARM O=C([O-])[C@H]1CCCCC=C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481805 222267281 /nfs/dbraw/zinc/26/72/81/222267281.db2.gz JRTUXDFLVCCVBG-RBBKRZOGSA-N -1 0 391.467 4.725 50 0 GJAARM O=C([O-])CN(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002526806 570289968 /nfs/dbraw/zinc/28/99/68/570289968.db2.gz IZXYZVSMRGDEOQ-UHFFFAOYSA-N -1 0 387.435 4.522 50 0 GJAARM CSc1ccc(-c2cc(C(=O)[O-])nn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002527270 570290079 /nfs/dbraw/zinc/29/00/79/570290079.db2.gz HNIGAKORFNKDPO-UHFFFAOYSA-N -1 0 378.375 4.978 50 0 GJAARM CCCCSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000032948211 570335800 /nfs/dbraw/zinc/33/58/00/570335800.db2.gz SMEXQIQATFVNKO-UHFFFAOYSA-N -1 0 393.559 4.796 50 0 GJAARM CCc1ccccc1N(CC)C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-] ZINC000004920485 570366342 /nfs/dbraw/zinc/36/63/42/570366342.db2.gz KSLMNHHRNSUNFI-UHFFFAOYSA-N -1 0 384.863 4.678 50 0 GJAARM Cc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccccc5n4)nc3C2)cc1 ZINC000004487077 570378114 /nfs/dbraw/zinc/37/81/14/570378114.db2.gz FIVFRQSTZHYZFW-KRWDZBQOSA-N -1 0 395.466 4.693 50 0 GJAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc4ccccc43)c(C)s2)no1 ZINC000035539341 570391532 /nfs/dbraw/zinc/39/15/32/570391532.db2.gz SUZPPIXKPQCIFL-UHFFFAOYSA-N -1 0 399.497 4.623 50 0 GJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c([O-])o1 ZINC000137818911 570398173 /nfs/dbraw/zinc/39/81/73/570398173.db2.gz RFOIOFLULFPGSL-LJQANCHMSA-N -1 0 379.437 4.717 50 0 GJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)sc1C ZINC000033297656 570405227 /nfs/dbraw/zinc/40/52/27/570405227.db2.gz AQFNQBHCHXXJTE-UHFFFAOYSA-N -1 0 382.507 4.737 50 0 GJAARM Cc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(C)c3)cc(C(=O)[O-])c2)c1 ZINC000004870327 570414460 /nfs/dbraw/zinc/41/44/60/570414460.db2.gz ZGDILWHLGKBIAF-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899628 570416577 /nfs/dbraw/zinc/41/65/77/570416577.db2.gz JBZXLQHJZHITMW-RTOPAQNCSA-N -1 0 391.467 4.653 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004903071 570416683 /nfs/dbraw/zinc/41/66/83/570416683.db2.gz KXPUTNUJNQJNNC-QWRGUYRKSA-N -1 0 399.299 4.946 50 0 GJAARM CCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccc(C(=O)[O-])cc1 ZINC000004978607 570421280 /nfs/dbraw/zinc/42/12/80/570421280.db2.gz ZTIAKAMDPZCDAR-UHFFFAOYSA-N -1 0 396.468 4.900 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002740379 570510503 /nfs/dbraw/zinc/51/05/03/570510503.db2.gz JNGKOQKJZPTSNE-IAGOWNOFSA-N -1 0 378.453 4.569 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccccc3SC)s2)n1 ZINC000064769381 570541430 /nfs/dbraw/zinc/54/14/30/570541430.db2.gz LEXLVNZKVNIQAV-UHFFFAOYSA-N -1 0 396.584 4.957 50 0 GJAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820440 570555416 /nfs/dbraw/zinc/55/54/16/570555416.db2.gz XJGQQYXKNODLQW-UHFFFAOYSA-N -1 0 386.467 4.895 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2c(C)cccc2C)on1 ZINC000064845381 570565042 /nfs/dbraw/zinc/56/50/42/570565042.db2.gz CKLUDDBUMSZGNE-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1ccccc1Cn1c2cnccc2nc1SCc1ccc(C(=O)[O-])cc1 ZINC000006750987 570569636 /nfs/dbraw/zinc/56/96/36/570569636.db2.gz ZQKPJBJRJMGNIL-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM O=S(=O)([N-]c1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1Cl ZINC000036241914 570580437 /nfs/dbraw/zinc/58/04/37/570580437.db2.gz JCXZHFCBNFFHRC-UHFFFAOYSA-N -1 0 377.636 4.589 50 0 in-vivo GJAARM C[C@@H]1CCCC[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071084644 570616416 /nfs/dbraw/zinc/61/64/16/570616416.db2.gz YGBJSIBWMAKQPS-IQMFZBJNSA-N -1 0 379.456 4.559 50 0 GJAARM CC[C@@H](C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000005550864 570632260 /nfs/dbraw/zinc/63/22/60/570632260.db2.gz GENNAYVHYJYJIA-XKXPZODNSA-N -1 0 380.469 4.787 50 0 GJAARM Cc1ccccc1OC(=O)C1[C@@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004832473 570633323 /nfs/dbraw/zinc/63/33/23/570633323.db2.gz WUQLIJJPZVMJTA-SIYKVTCMSA-N -1 0 386.447 4.799 50 0 GJAARM CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1 ZINC000012336545 570644617 /nfs/dbraw/zinc/64/46/17/570644617.db2.gz KKYVRPWWYUVUPJ-GOSISDBHSA-N -1 0 388.291 4.638 50 0 GJAARM CC1(C)[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]1(C)C(=O)[O-] ZINC000005482306 570663164 /nfs/dbraw/zinc/66/31/64/570663164.db2.gz XOJYXJUCLVCFID-WMZHIEFXSA-N -1 0 381.472 4.731 50 0 GJAARM CC[C@H](C)[C@@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002604894 570717511 /nfs/dbraw/zinc/71/75/11/570717511.db2.gz SGYQTZNDBKRINT-SUMWQHHRSA-N -1 0 375.428 4.954 50 0 GJAARM Cn1cnc2cc(C(=O)[O-])c(Nc3ccc(Br)cc3Cl)c(F)c21 ZINC000061997429 570743896 /nfs/dbraw/zinc/74/38/96/570743896.db2.gz QQHULLIBIZAPOW-UHFFFAOYSA-N -1 0 398.619 4.570 50 0 GJAARM Cc1cccnc1CCn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)[O-] ZINC000065393790 570764474 /nfs/dbraw/zinc/76/44/74/570764474.db2.gz XDGSQXCCKFCUBI-UHFFFAOYSA-N -1 0 383.451 4.861 50 0 GJAARM CCOC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000005927387 570804593 /nfs/dbraw/zinc/80/45/93/570804593.db2.gz ZMASKQNQBPZXCE-UHFFFAOYSA-N -1 0 395.436 4.564 50 0 GJAARM O=C([O-])C1CC(c2ccc(OCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000170091404 570805208 /nfs/dbraw/zinc/80/52/08/570805208.db2.gz ZNMMKGRJBMSBCJ-UHFFFAOYSA-N -1 0 384.819 4.547 50 0 GJAARM O=C([O-])c1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033087883 570807205 /nfs/dbraw/zinc/80/72/05/570807205.db2.gz DZCMDZAVIRVBGZ-QGTPRVQTSA-N -1 0 388.261 4.782 50 0 GJAARM CC(C)CCSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000101141675 570815718 /nfs/dbraw/zinc/81/57/18/570815718.db2.gz REKYHIMJNIMOMW-UHFFFAOYSA-N -1 0 394.544 4.591 50 0 GJAARM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(OC2CCCC2)cc1 ZINC000004694316 570839588 /nfs/dbraw/zinc/83/95/88/570839588.db2.gz PNLRZNSTMBNSOY-LJQANCHMSA-N -1 0 387.863 4.607 50 0 GJAARM Cc1c2ccc(C)cc2oc1C(=O)N=c1[n-]nc(-c2cc(F)ccc2F)s1 ZINC000526052233 570845637 /nfs/dbraw/zinc/84/56/37/570845637.db2.gz HENQEDIJQOIYFM-UHFFFAOYSA-N -1 0 385.395 4.521 50 0 GJAARM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3cccc(F)c3)C12 ZINC000102739440 570861431 /nfs/dbraw/zinc/86/14/31/570861431.db2.gz HFJDMGIHTIYPSS-DIFFPNOSSA-N -1 0 382.420 4.899 50 0 GJAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000003623787 570878683 /nfs/dbraw/zinc/87/86/83/570878683.db2.gz OPCIPTMOZIXPGV-KRWDZBQOSA-N -1 0 396.270 4.728 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000003864117 570884923 /nfs/dbraw/zinc/88/49/23/570884923.db2.gz WCAYKVUDNCORBO-ZWKOTPCHSA-N -1 0 398.528 4.923 50 0 GJAARM C[C@@H]1C[C@H](C(=O)[O-])C[C@H](C)N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240648 570994929 /nfs/dbraw/zinc/99/49/29/570994929.db2.gz SZWHDEBRAXHKOF-ZSHCYNCHSA-N -1 0 379.456 4.509 50 0 GJAARM Cc1nc([N-]c2nc3ccccc3s2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000001264823 212233387 /nfs/dbraw/zinc/23/33/87/212233387.db2.gz KVYMVCDWYAIAIF-UHFFFAOYSA-N -1 0 379.420 4.530 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001200122 212228816 /nfs/dbraw/zinc/22/88/16/212228816.db2.gz OFOFPJBOJSZDEW-QWRGUYRKSA-N -1 0 399.299 4.946 50 0 GJAARM CCCC(CCC)C(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001065017 212212581 /nfs/dbraw/zinc/21/25/81/212212581.db2.gz VKPPYWJWOHRBMQ-UHFFFAOYSA-N -1 0 382.460 4.792 50 0 GJAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001046026 212210115 /nfs/dbraw/zinc/21/01/15/212210115.db2.gz VRNJNQKGHLQHJD-CQSZACIVSA-N -1 0 385.304 4.944 50 0 GJAARM O=S(=O)([N-]c1cccnc1Oc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001043433 212209274 /nfs/dbraw/zinc/20/92/74/212209274.db2.gz PLSOAVZXHZHPOX-UHFFFAOYSA-N -1 0 395.267 4.982 50 0 GJAARM Cc1cccc(S[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000001057753 212210853 /nfs/dbraw/zinc/21/08/53/212210853.db2.gz XVMCTOTWOAZALL-INIZCTEOSA-N -1 0 379.275 4.576 50 0 GJAARM CC(C)Cc1csc(NC(=O)c2ccc(Br)cc2)c1C(=O)[O-] ZINC000000704124 212175335 /nfs/dbraw/zinc/17/53/35/212175335.db2.gz BOGMJXQNEBCXOP-UHFFFAOYSA-N -1 0 382.279 4.660 50 0 GJAARM CC(C)(C)OC(=O)N1CCC[C@@]1(C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000000621863 212163962 /nfs/dbraw/zinc/16/39/62/212163962.db2.gz RUBYLACKGJPIPO-QHCPKHFHSA-N -1 0 381.472 4.673 50 0 GJAARM CCOc1cc2c(cc1/C=C(/CC(=O)[O-])c1nc3ccccc3o1)O[C@H](C)C2 ZINC000096891508 212155474 /nfs/dbraw/zinc/15/54/74/212155474.db2.gz DDPWTARHBUWLPQ-WPBJZHHJSA-N -1 0 379.412 4.565 50 0 GJAARM Cc1c(OCc2ccc(C(C)(C)C)cc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000004046067 206293369 /nfs/dbraw/zinc/29/33/69/206293369.db2.gz IRPOXEWPNXKWBH-UHFFFAOYSA-N -1 0 394.467 4.913 50 0 biogenic GJAARM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000000679357 206315898 /nfs/dbraw/zinc/31/58/98/206315898.db2.gz VCPBLASEFYZTCH-UHFFFAOYSA-N -1 0 377.440 4.975 50 0 GJAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C(=O)[O-])c1 ZINC000000799529 206322912 /nfs/dbraw/zinc/32/29/12/206322912.db2.gz RFWOUCYBEZXBDI-KSSFIOAISA-N -1 0 393.405 4.840 50 0 GJAARM O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000830384 206325386 /nfs/dbraw/zinc/32/53/86/206325386.db2.gz MWTMYLNMSBEAMV-LBPRGKRZSA-N -1 0 385.769 4.631 50 0 GJAARM Cc1cccc(OC(=O)C2[C@H](c3ccccc3)C(C(=O)[O-])[C@H]2c2ccccc2)c1 ZINC000000885233 206330700 /nfs/dbraw/zinc/33/07/00/206330700.db2.gz DXSMLZYGZQMMFC-KBFCKHRLSA-N -1 0 386.447 4.799 50 0 GJAARM O=C([O-])c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 ZINC000001178487 206364114 /nfs/dbraw/zinc/36/41/14/206364114.db2.gz XPULRGPYHUIPMG-UHFFFAOYSA-N -1 0 384.229 4.657 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000001200118 206366116 /nfs/dbraw/zinc/36/61/16/206366116.db2.gz OFOFPJBOJSZDEW-WDEREUQCSA-N -1 0 399.299 4.946 50 0 GJAARM CCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C)cc1 ZINC000003983359 206497462 /nfs/dbraw/zinc/49/74/62/206497462.db2.gz UHRGHZYRQGYUHQ-SJORKVTESA-N -1 0 386.517 4.901 50 0 GJAARM COc1ccc(-c2nc3ccc(C(=O)[O-])cc3nc2-c2ccc(OC)cc2)cc1 ZINC000004523722 206526257 /nfs/dbraw/zinc/52/62/57/206526257.db2.gz UDTOEGLUGAXBLG-UHFFFAOYSA-N -1 0 386.407 4.679 50 0 biogenic GJAARM O=C([O-])c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000095424255 208182028 /nfs/dbraw/zinc/18/20/28/208182028.db2.gz IVCQCLFPBVEESM-UHFFFAOYSA-N -1 0 397.434 4.549 50 0 GJAARM Cc1[nH]nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)s2)c1C ZINC000096341487 208308602 /nfs/dbraw/zinc/30/86/02/208308602.db2.gz LOBYTNDPMZHISH-UHFFFAOYSA-N -1 0 395.937 4.826 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1C ZINC000096341439 208308916 /nfs/dbraw/zinc/30/89/16/208308916.db2.gz ZZZWRCVEQBVXBO-UHFFFAOYSA-N -1 0 389.546 4.790 50 0 GJAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)c1C ZINC000100658358 208377589 /nfs/dbraw/zinc/37/75/89/208377589.db2.gz SXSJGPAIFJKFAD-UHFFFAOYSA-N -1 0 378.472 4.622 50 0 GJAARM Cc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002511449 220541922 /nfs/dbraw/zinc/54/19/22/220541922.db2.gz NZNJRXYPNDCAEN-QFIPXVFZSA-N -1 0 387.435 4.659 50 0 GJAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000005774100 220897667 /nfs/dbraw/zinc/89/76/67/220897667.db2.gz DPIKOWRJRJDXBN-QFIPXVFZSA-N -1 0 399.450 4.712 50 0 GJAARM O=C([O-])c1cccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)c1 ZINC000008743428 221054254 /nfs/dbraw/zinc/05/42/54/221054254.db2.gz PKDOOWFDLLJJFC-UHFFFAOYSA-N -1 0 392.436 4.901 50 0 GJAARM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1C ZINC000063811929 222067125 /nfs/dbraw/zinc/06/71/25/222067125.db2.gz DTRPJNDQNLBZOF-SFHVURJKSA-N -1 0 379.485 4.592 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)s2)n1 ZINC000064769370 222082698 /nfs/dbraw/zinc/08/26/98/222082698.db2.gz HSHHFWKHSQJUHH-UHFFFAOYSA-N -1 0 382.507 4.682 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1C ZINC000064845857 222084692 /nfs/dbraw/zinc/08/46/92/222084692.db2.gz RALXWHPNODGBMF-UHFFFAOYSA-N -1 0 394.493 4.885 50 0 GJAARM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000095995669 222368992 /nfs/dbraw/zinc/36/89/92/222368992.db2.gz XCMCPYXKOTVVCL-UHFFFAOYSA-N -1 0 397.544 4.979 50 0 GJAARM COC(=O)C[C@H](CC(C)C)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115866 222382849 /nfs/dbraw/zinc/38/28/49/222382849.db2.gz GVFPHGIBKMIWQH-HNNXBMFYSA-N -1 0 396.439 4.564 50 0 biogenic GJAARM Cc1cccc(C)c1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000100602461 570273468 /nfs/dbraw/zinc/27/34/68/570273468.db2.gz BUNVNYAEJSMFGA-UHFFFAOYSA-N -1 0 378.472 4.622 50 0 GJAARM CCOc1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)cc(Cl)c1O ZINC000000684526 570291321 /nfs/dbraw/zinc/29/13/21/570291321.db2.gz ZWGWORVROPXLRJ-LFYBBSHMSA-N -1 0 394.652 4.700 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002754729 570298512 /nfs/dbraw/zinc/29/85/12/570298512.db2.gz KYLLGCLZUYTHTL-DLBZAZTESA-N -1 0 378.453 4.569 50 0 GJAARM CCOC(=O)CSC(=S)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003045840 570326844 /nfs/dbraw/zinc/32/68/44/570326844.db2.gz ZGAVRFKRVNIXQQ-UHFFFAOYSA-N -1 0 391.358 4.717 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1-c1ccno1 ZINC000035479785 570367717 /nfs/dbraw/zinc/36/77/17/570367717.db2.gz PGPGEXNFACBIOP-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899630 570416507 /nfs/dbraw/zinc/41/65/07/570416507.db2.gz JBZXLQHJZHITMW-ARBPTSGCSA-N -1 0 391.467 4.653 50 0 GJAARM O=C([O-])Cc1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000004999074 570422770 /nfs/dbraw/zinc/42/27/70/570422770.db2.gz KTEJPRUDMJAPLI-UHFFFAOYSA-N -1 0 399.697 4.539 50 0 GJAARM O=c1nc(-c2ccc(Cl)cc2)nc(SCc2c(F)cccc2Cl)[n-]1 ZINC000005176240 570430787 /nfs/dbraw/zinc/43/07/87/570430787.db2.gz LELDUTLCTCTGGE-UHFFFAOYSA-N -1 0 382.247 4.982 50 0 GJAARM O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000005344186 570434646 /nfs/dbraw/zinc/43/46/46/570434646.db2.gz VUHFEDUNPSHGPV-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccccc3CC)s2)n1 ZINC000064769300 570541552 /nfs/dbraw/zinc/54/15/52/570541552.db2.gz YJNNRKVRZQSWMP-UHFFFAOYSA-N -1 0 378.544 4.797 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccccc2F)CC(=O)N3)cc1 ZINC000064797010 570547245 /nfs/dbraw/zinc/54/72/45/570547245.db2.gz BODFBILEZOLKFH-CQSZACIVSA-N -1 0 397.427 4.735 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cccs2)CC(=O)N3)cc1 ZINC000064797071 570547271 /nfs/dbraw/zinc/54/72/71/570547271.db2.gz KNQZQUAYAVAEJF-GFCCVEGCSA-N -1 0 385.466 4.658 50 0 GJAARM O=C([O-])CC1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1 ZINC000400032397 570563181 /nfs/dbraw/zinc/56/31/81/570563181.db2.gz UDHYFSZTGYDKGE-UHFFFAOYSA-N -1 0 379.456 4.560 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)on1 ZINC000064845328 570564964 /nfs/dbraw/zinc/56/49/64/570564964.db2.gz XBSHWYMLDORMBX-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2)c1C ZINC000064845909 570565402 /nfs/dbraw/zinc/56/54/02/570565402.db2.gz ARNIKOSYVVILAL-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM COc1ccccc1-c1cc(C(=O)[O-])c2c(n[nH]c2-c2ccc(Cl)cc2)n1 ZINC000006748976 570567121 /nfs/dbraw/zinc/56/71/21/570567121.db2.gz IINXFSZIOZCWPN-UHFFFAOYSA-N -1 0 379.803 4.652 50 0 GJAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Br)o1 ZINC000006808147 570609872 /nfs/dbraw/zinc/60/98/72/570609872.db2.gz XZUWXTSHAJKDKV-UHFFFAOYSA-N -1 0 392.230 4.721 50 0 GJAARM C[C@H]1CCC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000071084641 570616562 /nfs/dbraw/zinc/61/65/62/570616562.db2.gz ZDIWXOUSOHUVGI-NPMXOYFQSA-N -1 0 379.456 4.559 50 0 GJAARM COc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccc(F)cc1 ZINC000012371741 570647624 /nfs/dbraw/zinc/64/76/24/570647624.db2.gz HFXKDHGBMFZTGD-CQSZACIVSA-N -1 0 397.427 4.735 50 0 GJAARM O=C([O-])c1ccccc1Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000241173027 570686074 /nfs/dbraw/zinc/68/60/74/570686074.db2.gz KFKITPZTVGSAIS-UHFFFAOYSA-N -1 0 375.815 5.392 50 0 GJAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Br ZINC000003991759 570726371 /nfs/dbraw/zinc/72/63/71/570726371.db2.gz MRSSMCVCBJTKER-UHFFFAOYSA-N -1 0 395.105 4.865 50 0 GJAARM CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000953683 570740021 /nfs/dbraw/zinc/74/00/21/570740021.db2.gz KPSCQNHTHDLUMD-UHFFFAOYSA-N -1 0 394.427 4.560 50 0 GJAARM Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013692319 570776442 /nfs/dbraw/zinc/77/64/42/570776442.db2.gz IBIXKFCRWXQVEU-OAHLLOKOSA-N -1 0 395.846 4.964 50 0 GJAARM Cc1ccc(C[C@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@H](C)C(=O)[O-])cc1 ZINC000004698216 570841798 /nfs/dbraw/zinc/84/17/98/570841798.db2.gz DPGYGRXEBIESJS-HRGIBLDRSA-N -1 0 397.559 4.597 50 0 GJAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000003623699 570878746 /nfs/dbraw/zinc/87/87/46/570878746.db2.gz JRZFZHMDODLMIS-QGZVFWFLSA-N -1 0 396.270 4.728 50 0 GJAARM Cc1c(OC/C=C/c2ccccc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12 ZINC000002094175 570940879 /nfs/dbraw/zinc/94/08/79/570940879.db2.gz RJJLNVQCXWLTET-RMKNXTFCSA-N -1 0 378.424 4.519 50 0 biogenic GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)s1 ZINC000046056356 571016641 /nfs/dbraw/zinc/01/66/41/571016641.db2.gz SLPQETHYQIKRKF-HNNXBMFYSA-N -1 0 399.903 4.767 50 0 GJAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1Br ZINC000001427161 212243275 /nfs/dbraw/zinc/24/32/75/212243275.db2.gz NSJSFJIQHVKZSR-CZUORRHYSA-N -1 0 390.277 4.591 50 0 GJAARM O=C([O-])c1cccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)c1 ZINC000001120690 212220120 /nfs/dbraw/zinc/22/01/20/212220120.db2.gz LPPLXWYWWJADHU-UHFFFAOYSA-N -1 0 393.782 4.631 50 0 GJAARM O=C([O-])c1cc(/C=C\c2csc(-c3ccccn3)n2)nc2cc(F)ccc21 ZINC000096401765 212155927 /nfs/dbraw/zinc/15/59/27/212155927.db2.gz ZPVKBIZEDPQJMO-WAYWQWQTSA-N -1 0 377.400 4.761 50 0 GJAARM CCOc1ccccc1/C=C1/CN(CC)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000096767616 212155328 /nfs/dbraw/zinc/15/53/28/212155328.db2.gz IOCKNQLEAPEYRN-LGMDPLHJSA-N -1 0 388.467 4.708 50 0 GJAARM CCc1cc2c(cc1[O-])oc(C(F)(F)F)c(-c1nc3ccccc3n1C)c2=O ZINC000005444887 212148735 /nfs/dbraw/zinc/14/87/35/212148735.db2.gz DSAJLEKUBMUVMP-UHFFFAOYSA-N -1 0 388.345 4.634 50 0 biogenic GJAARM CCCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21 ZINC000299738275 212142093 /nfs/dbraw/zinc/14/20/93/212142093.db2.gz QDUMWYDYNSFEJG-UHFFFAOYSA-N -1 0 382.435 4.679 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000003914814 206261044 /nfs/dbraw/zinc/26/10/44/206261044.db2.gz DXOCDBGWDZAYRQ-AURDAFMXSA-N -1 0 390.564 4.686 50 0 in-vitro GJAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccnc3ccccc31)CC(=O)O2 ZINC000253414427 206282959 /nfs/dbraw/zinc/28/29/59/206282959.db2.gz XMACWYDPFYBJKH-IBGZPJMESA-N -1 0 395.414 4.612 50 0 biogenic GJAARM CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000000675133 206315123 /nfs/dbraw/zinc/31/51/23/206315123.db2.gz ZMSHIFMKDNYFDC-FZCLSBEQSA-N -1 0 384.501 4.619 50 0 GJAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1cc(Cl)sc1Cl ZINC000001033512 206343036 /nfs/dbraw/zinc/34/30/36/206343036.db2.gz HVJZTEOCIVDJJN-UHFFFAOYSA-N -1 0 391.345 4.846 50 0 GJAARM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-c2ccccn2)s1 ZINC000001034769 206343548 /nfs/dbraw/zinc/34/35/48/206343548.db2.gz YXUVRMWHTFLFMW-UHFFFAOYSA-N -1 0 384.404 4.630 50 0 GJAARM CCc1cc(=O)[n-]c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000001394651 206377914 /nfs/dbraw/zinc/37/79/14/206377914.db2.gz UWGUCEYKGZGNIA-UHFFFAOYSA-N -1 0 382.329 4.662 50 0 GJAARM O=C([O-])CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000002411978 206415498 /nfs/dbraw/zinc/41/54/98/206415498.db2.gz JDDDTZFILDABNT-UHFFFAOYSA-N -1 0 393.493 4.572 50 0 GJAARM O=C([O-])CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC000002567343 206421931 /nfs/dbraw/zinc/42/19/31/206421931.db2.gz UTJZEJWGYKUDBS-UHFFFAOYSA-N -1 0 379.456 4.655 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C(=Cc3cccs3)c3ccccc3)nc(=O)c12 ZINC000007333422 206709877 /nfs/dbraw/zinc/70/98/77/206709877.db2.gz BGPKHFNTBJVUAP-UVTDQMKNSA-N -1 0 394.477 4.642 50 0 GJAARM CCOc1ccc(-c2[nH]nc3nc(-c4cccc(F)c4)cc(C(=O)[O-])c32)cc1 ZINC000009597457 206793208 /nfs/dbraw/zinc/79/32/08/206793208.db2.gz ZADDRXJTFRHBOR-UHFFFAOYSA-N -1 0 377.375 4.528 50 0 GJAARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)c1C ZINC000096323510 208305787 /nfs/dbraw/zinc/30/57/87/208305787.db2.gz NOFMZKRFHAGSIM-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM COc1cc2c(cc1/C=C(/CC(=O)[O-])c1nc3ccccc3s1)O[C@H](C)C2 ZINC000096812258 208322262 /nfs/dbraw/zinc/32/22/62/208322262.db2.gz DYFSFEGMEQKNSI-PWDRSIHYSA-N -1 0 381.453 4.644 50 0 GJAARM COc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)[O-])cc1 ZINC000004844299 220773436 /nfs/dbraw/zinc/77/34/36/220773436.db2.gz GNVGVQKXDRKVIJ-UHFFFAOYSA-N -1 0 381.453 4.693 50 0 GJAARM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000008392447 221039750 /nfs/dbraw/zinc/03/97/50/221039750.db2.gz GSPMYUAIXNAZLL-BLVKFPJESA-N -1 0 380.271 4.603 50 0 GJAARM CC(C)COc1ccc(CC2C(=O)N=C(SCc3ccccc3)N=C2[O-])cc1 ZINC000009360802 221078988 /nfs/dbraw/zinc/07/89/88/221078988.db2.gz TVZDPPGJVHVUAV-UHFFFAOYSA-N -1 0 396.512 4.806 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC=CC[C@H]4C(=O)[O-])cc3)sc2c1 ZINC000012649980 221217186 /nfs/dbraw/zinc/21/71/86/221217186.db2.gz VVRPUWRAIBUXRZ-DLBZAZTESA-N -1 0 392.480 4.877 50 0 GJAARM COc1cc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1O ZINC000013339287 221265853 /nfs/dbraw/zinc/26/58/53/221265853.db2.gz IALWRZFBZZBFFM-WDGDVPDHSA-N -1 0 375.424 4.770 50 0 GJAARM Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)SC(C)=N2 ZINC000015107537 221332511 /nfs/dbraw/zinc/33/25/11/221332511.db2.gz AWYOCMWRIHVDKF-SFHVURJKSA-N -1 0 381.432 4.904 50 0 GJAARM CC(C)c1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)C)c1O ZINC000015414445 221336108 /nfs/dbraw/zinc/33/61/08/221336108.db2.gz SUVMMINLZBWCLC-NHCUHLMSSA-N -1 0 392.499 4.809 50 0 GJAARM COCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3cccc4ccccc43)c2n1 ZINC000017058503 221376320 /nfs/dbraw/zinc/37/63/20/221376320.db2.gz AGXKGCAPPSVSSV-UHFFFAOYSA-N -1 0 395.462 4.992 50 0 GJAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1Cc1ccccc1Cl ZINC000018240907 221391196 /nfs/dbraw/zinc/39/11/96/221391196.db2.gz MJOFELKOEWRSMN-UHFFFAOYSA-N -1 0 396.903 4.675 50 0 GJAARM O=C([O-])[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000024992635 221624081 /nfs/dbraw/zinc/62/40/81/221624081.db2.gz ZKBRXMNAIMJYPR-GFCCVEGCSA-N -1 0 389.732 4.695 50 0 GJAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)s2)c1C ZINC000065031220 222096291 /nfs/dbraw/zinc/09/62/91/222096291.db2.gz SYKCZJSVJMKVGQ-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1 ZINC000064797340 222081767 /nfs/dbraw/zinc/08/17/67/222081767.db2.gz JOSDZFBWNBLBED-OAHLLOKOSA-N -1 0 397.427 4.735 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)n1 ZINC000064769333 222081919 /nfs/dbraw/zinc/08/19/19/222081919.db2.gz JWXRPJOFQROQTI-UHFFFAOYSA-N -1 0 382.507 4.682 50 0 GJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795960 222082519 /nfs/dbraw/zinc/08/25/19/222082519.db2.gz BKHDSVBYCRLTGU-MRXNPFEDSA-N -1 0 393.464 4.904 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)cc2)c1C ZINC000064845745 222084984 /nfs/dbraw/zinc/08/49/84/222084984.db2.gz JJGWLXSTTSZWRK-UHFFFAOYSA-N -1 0 380.466 4.577 50 0 GJAARM O=C([O-])c1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000001164603 534544045 /nfs/dbraw/zinc/54/40/45/534544045.db2.gz WWPNUAMMGARHJE-UHFFFAOYSA-N -1 0 393.782 4.631 50 0 GJAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000012809036 570222448 /nfs/dbraw/zinc/22/24/48/570222448.db2.gz MELSIQYSNFVIPJ-LBPRGKRZSA-N -1 0 389.732 4.695 50 0 GJAARM CCCCc1ccc(NC(=O)[C@H](C)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012814062 570229265 /nfs/dbraw/zinc/22/92/65/570229265.db2.gz LENGNWWIGPZXSY-AWEZNQCLSA-N -1 0 381.501 4.601 50 0 GJAARM CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=O)/C=C/C(=O)[O-])CCC[C@]21C ZINC000013468477 570247276 /nfs/dbraw/zinc/24/72/76/570247276.db2.gz FOVDKVLUIXQBIW-JWGFEUJMSA-N -1 0 383.532 4.577 50 0 GJAARM O=C([O-])[C@H]1c2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002562457 570290910 /nfs/dbraw/zinc/29/09/10/570290910.db2.gz YDLDAMFCNLVPGY-JOCHJYFZSA-N -1 0 385.419 4.577 50 0 GJAARM CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)CNC(=O)/C=C/C(=O)[O-] ZINC000105390537 570304886 /nfs/dbraw/zinc/30/48/86/570304886.db2.gz FOVDKVLUIXQBIW-CAFPFAINSA-N -1 0 383.532 4.577 50 0 GJAARM O=C([O-])CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000002955447 570319787 /nfs/dbraw/zinc/31/97/87/570319787.db2.gz JNLADQBGUSGWRI-QHCPKHFHSA-N -1 0 384.435 4.615 50 0 GJAARM C[C@@H]1CCc2oc3ccc([N-]S(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000004147800 570359780 /nfs/dbraw/zinc/35/97/80/570359780.db2.gz AVGDWGMFCDQOOP-CQSZACIVSA-N -1 0 392.480 4.907 50 0 GJAARM Cc1cc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2cc1C ZINC000004487079 570378126 /nfs/dbraw/zinc/37/81/26/570378126.db2.gz ZXQMKUVYRCRUMU-OAHLLOKOSA-N -1 0 399.454 4.594 50 0 GJAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004899631 570416354 /nfs/dbraw/zinc/41/63/54/570416354.db2.gz JBZXLQHJZHITMW-RXYZOABWSA-N -1 0 391.467 4.653 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000011994448 570452932 /nfs/dbraw/zinc/45/29/32/570452932.db2.gz SYHZJASQODJPCM-MOPGFXCFSA-N -1 0 387.863 4.640 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002740380 570510506 /nfs/dbraw/zinc/51/05/06/570510506.db2.gz JNGKOQKJZPTSNE-IRXDYDNUSA-N -1 0 378.453 4.569 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000002736123 570512052 /nfs/dbraw/zinc/51/20/52/570512052.db2.gz NSTQVJHUSUXFQI-IRXDYDNUSA-N -1 0 384.501 4.813 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002764764 570512805 /nfs/dbraw/zinc/51/28/05/570512805.db2.gz VDJHONBBLJSAHT-SJORKVTESA-N -1 0 380.469 4.793 50 0 GJAARM CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000064795347 570546416 /nfs/dbraw/zinc/54/64/16/570546416.db2.gz OGYWVQVROCEMKO-INIZCTEOSA-N -1 0 393.464 4.986 50 0 GJAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2ccc(C)cc2)cc3=O)cc1 ZINC000009420213 570557488 /nfs/dbraw/zinc/55/74/88/570557488.db2.gz PPAIORSZCWIRDM-UHFFFAOYSA-N -1 0 391.496 4.607 50 0 GJAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071084638 570616495 /nfs/dbraw/zinc/61/64/95/570616495.db2.gz RCYMITTUGADOGC-UHFFFAOYSA-N -1 0 387.435 4.766 50 0 GJAARM O=S1(=O)c2cc3ccccc3cc2C([O-])=C1c1cccc(C(F)(F)F)c1 ZINC000044122670 570632182 /nfs/dbraw/zinc/63/21/82/570632182.db2.gz DWGGWHYDZDEEJP-SFHVURJKSA-N -1 0 376.355 4.570 50 0 GJAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004177 570644330 /nfs/dbraw/zinc/64/43/30/570644330.db2.gz VMBYLOQEAGBYMR-UHFFFAOYSA-N -1 0 378.450 4.529 50 0 GJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004122 570644363 /nfs/dbraw/zinc/64/43/63/570644363.db2.gz ZDRWXXZBAPBCSB-UHFFFAOYSA-N -1 0 388.514 4.952 50 0 GJAARM O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)c1ccccc1 ZINC000032778450 570811273 /nfs/dbraw/zinc/81/12/73/570811273.db2.gz HTKXAMBZACLEPO-UHFFFAOYSA-N -1 0 398.296 4.588 50 0 GJAARM CC(C)(C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000040433978 570830638 /nfs/dbraw/zinc/83/06/38/570830638.db2.gz GVUXGAUXGMHUSZ-HXUWFJFHSA-N -1 0 381.472 4.805 50 0 GJAARM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000004689316 570834784 /nfs/dbraw/zinc/83/47/84/570834784.db2.gz HTIMCRZFXNWJNF-VGSWGCGISA-N -1 0 395.499 4.834 50 0 GJAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003623697 570878615 /nfs/dbraw/zinc/87/86/15/570878615.db2.gz DQFCZGPNSMFEKZ-FQEVSTJZSA-N -1 0 383.488 4.719 50 0 GJAARM Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)o1 ZINC000001175031 570953980 /nfs/dbraw/zinc/95/39/80/570953980.db2.gz RKTADGAEHCYLEY-NTUHNPAUSA-N -1 0 381.240 4.566 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1C ZINC000033306736 570967106 /nfs/dbraw/zinc/96/71/06/570967106.db2.gz POSJAMZGTBVJET-UHFFFAOYSA-N -1 0 389.546 4.790 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)s1 ZINC000046057337 571017369 /nfs/dbraw/zinc/01/73/69/571017369.db2.gz QCXXRLHRBLDANB-INIZCTEOSA-N -1 0 393.512 4.730 50 0 GJAARM O=C([O-])C/C(=C\c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 ZINC000096401754 212156021 /nfs/dbraw/zinc/15/60/21/212156021.db2.gz SCWCTMKQYMASGI-FMIVXFBMSA-N -1 0 379.466 4.830 50 0 GJAARM O=C([O-])c1csc(-n2nc(-c3cccc4ccccc43)cc2C(F)(F)F)n1 ZINC000005241669 209122082 /nfs/dbraw/zinc/12/20/82/209122082.db2.gz OVAZUXMITCWDRB-UHFFFAOYSA-N -1 0 389.358 4.866 50 0 GJAARM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1OC(F)F ZINC000096767484 206301469 /nfs/dbraw/zinc/30/14/69/206301469.db2.gz HNAMDMBEZQBQFZ-WQLSENKSSA-N -1 0 391.395 4.922 50 0 GJAARM O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000034366922 206305386 /nfs/dbraw/zinc/30/53/86/206305386.db2.gz CPZAAQIZPWFUCI-UZIGOSACSA-N -1 0 388.467 4.674 50 0 GJAARM Cc1ccc(-c2csc3ncnc([N-]S(=O)(=O)Cc4ccccc4)c23)cc1 ZINC000006919675 206694293 /nfs/dbraw/zinc/69/42/93/206694293.db2.gz WWDWBHPFQVYQGT-UHFFFAOYSA-N -1 0 395.509 4.609 50 0 GJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(CC)cc3)s2)c1=O ZINC000015671473 207054778 /nfs/dbraw/zinc/05/47/78/207054778.db2.gz CNBZNOJSOBNDJS-UHFFFAOYSA-N -1 0 398.532 4.809 50 0 GJAARM CCc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000016839909 207078117 /nfs/dbraw/zinc/07/81/17/207078117.db2.gz WOKOYYHNVMLRFD-UHFFFAOYSA-N -1 0 384.435 4.511 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000017081213 207084802 /nfs/dbraw/zinc/08/48/02/207084802.db2.gz LXULDCFXHOSSLS-WDEREUQCSA-N -1 0 397.283 4.722 50 0 GJAARM O=C([O-])c1sc2cc(N3C(=S)N=NC3c3ccccc3)ccc2c1Cl ZINC000020530520 207201301 /nfs/dbraw/zinc/20/13/01/207201301.db2.gz DAIWMVLAYYFVJF-UHFFFAOYSA-N -1 0 387.873 4.789 50 0 GJAARM Cc1cc(C)c2c(nn3c2nc(-c2ccc(Cl)c(Cl)c2)cc3C(=O)[O-])n1 ZINC000020616022 207208013 /nfs/dbraw/zinc/20/80/13/207208013.db2.gz GBLYPKSNMLSNKV-UHFFFAOYSA-N -1 0 387.226 4.566 50 0 GJAARM Cc1ccccc1CSc1nc2cccnc2n1Cc1ccc(C(=O)[O-])cc1 ZINC000021163202 207226642 /nfs/dbraw/zinc/22/66/42/207226642.db2.gz SDOQEGWKJAZBKV-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM Cc1nn(Cc2ccccc2)c(C)c1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC000033530879 207460734 /nfs/dbraw/zinc/46/07/34/207460734.db2.gz ULLQYPXWMVJBQK-SEYXRHQNSA-N -1 0 383.451 4.965 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC[C@@H](C(=O)[O-])C4)cc3)sc2c1 ZINC000085388488 208100872 /nfs/dbraw/zinc/10/08/72/208100872.db2.gz OUAZWUKQRHZQNC-LSDHHAIUSA-N -1 0 380.469 4.711 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C(=Cc3ccsc3)c3ccccc3)nc(=O)c12 ZINC000096920066 208326649 /nfs/dbraw/zinc/32/66/49/208326649.db2.gz CZBACBCLESASCP-NTEUORMPSA-N -1 0 394.477 4.642 50 0 GJAARM CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000022853005 208856620 /nfs/dbraw/zinc/85/66/20/208856620.db2.gz INFZZKISHSARFM-CQSZACIVSA-N -1 0 397.331 4.551 50 0 GJAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002850694 220573680 /nfs/dbraw/zinc/57/36/80/220573680.db2.gz RFUDWNMKPLEUNC-UHFFFAOYSA-N -1 0 380.680 4.765 50 0 GJAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000003623704 220662392 /nfs/dbraw/zinc/66/23/92/220662392.db2.gz HYXDNYCVDDLFJV-MRXNPFEDSA-N -1 0 396.270 4.728 50 0 GJAARM COC(=O)C[C@@H](CC(C)C)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115867 209010361 /nfs/dbraw/zinc/01/03/61/209010361.db2.gz GVFPHGIBKMIWQH-OAHLLOKOSA-N -1 0 396.439 4.564 50 0 biogenic GJAARM Cc1cc(OC(F)F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000014236841 221306068 /nfs/dbraw/zinc/30/60/68/221306068.db2.gz XWVXOKXCPHQLKP-UHFFFAOYSA-N -1 0 382.215 4.704 50 0 GJAARM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1 ZINC000020027329 221468481 /nfs/dbraw/zinc/46/84/81/221468481.db2.gz CXSXIMGCJJPWRN-LBPRGKRZSA-N -1 0 385.769 4.631 50 0 GJAARM O=C([O-])C/C(=C/c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 ZINC000058344345 222051068 /nfs/dbraw/zinc/05/10/68/222051068.db2.gz SCWCTMKQYMASGI-XFXZXTDPSA-N -1 0 379.466 4.830 50 0 GJAARM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481803 222267524 /nfs/dbraw/zinc/26/75/24/222267524.db2.gz WWGXOZWLVAOLTC-IRLDBZIGSA-N -1 0 393.483 4.949 50 0 GJAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)c1 ZINC000035170934 570244214 /nfs/dbraw/zinc/24/42/14/570244214.db2.gz QOOANPUDAYXJSZ-AWEZNQCLSA-N -1 0 399.903 4.767 50 0 GJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OCC)cc2)c1=O ZINC000100502033 570272667 /nfs/dbraw/zinc/27/26/67/570272667.db2.gz BUBGSAQWBVRVHA-UHFFFAOYSA-N -1 0 394.471 4.548 50 0 GJAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000006155336 570277973 /nfs/dbraw/zinc/27/79/73/570277973.db2.gz RGMWSPNQRLIRQT-CMDGGOBGSA-N -1 0 377.234 4.525 50 0 GJAARM COc1ccc(-c2c/c(=N\CCCCCC(=O)[O-])c3cc(C)ccc3o2)cc1 ZINC000015953106 570299642 /nfs/dbraw/zinc/29/96/42/570299642.db2.gz DWGXOZUYCCHVKE-HIXSDJFHSA-N -1 0 379.456 4.963 50 0 GJAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)[C@H]1c1ccccc1 ZINC000002970515 570320921 /nfs/dbraw/zinc/32/09/21/570320921.db2.gz MOGDSIWEUDLNRF-SIYKVTCMSA-N -1 0 386.447 4.628 50 0 GJAARM Cc1ccc(N2C(=O)c3ccc(Oc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1C ZINC000003150502 570331058 /nfs/dbraw/zinc/33/10/58/570331058.db2.gz ASIQZJVRDJELTF-UHFFFAOYSA-N -1 0 387.391 4.595 50 0 GJAARM CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000035360924 570344731 /nfs/dbraw/zinc/34/47/31/570344731.db2.gz PPELYUTTZHLIAZ-GWOYNNJLSA-N -1 0 387.520 4.612 50 0 biogenic GJAARM COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC ZINC000003885004 570353240 /nfs/dbraw/zinc/35/32/40/570353240.db2.gz WHJKJQHHFCBZKD-NTCAYCPXSA-N -1 0 375.424 4.827 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000035510945 570387989 /nfs/dbraw/zinc/38/79/89/570387989.db2.gz ICGOSRCGQRAYKI-UHFFFAOYSA-N -1 0 388.467 4.972 50 0 GJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c([O-])o1 ZINC000137817938 570398262 /nfs/dbraw/zinc/39/82/62/570398262.db2.gz RFOIOFLULFPGSL-IBGZPJMESA-N -1 0 379.437 4.717 50 0 GJAARM Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000006390869 570478542 /nfs/dbraw/zinc/47/85/42/570478542.db2.gz IBBAKMATNPTHDA-UHFFFAOYSA-N -1 0 381.501 4.717 50 0 GJAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000002636050 570501264 /nfs/dbraw/zinc/50/12/64/570501264.db2.gz BPBNUIQXZNWOGP-UHFFFAOYSA-N -1 0 386.178 4.693 50 0 GJAARM O=C([O-])CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000032098752 570508371 /nfs/dbraw/zinc/50/83/71/570508371.db2.gz RVUHFAQCWRGTJH-UHFFFAOYSA-N -1 0 382.463 4.741 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2cc(C)cc(C)c2)cc1 ZINC000064757578 570537221 /nfs/dbraw/zinc/53/72/21/570537221.db2.gz MLQAWNICFWPHFA-UHFFFAOYSA-N -1 0 381.501 4.805 50 0 GJAARM O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000035529458 570554142 /nfs/dbraw/zinc/55/41/42/570554142.db2.gz JBZXLQHJZHITMW-UJUVCNOISA-N -1 0 391.467 4.653 50 0 GJAARM CSc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1 ZINC000064845131 570564952 /nfs/dbraw/zinc/56/49/52/570564952.db2.gz UEBZCCMUSZSUGR-UHFFFAOYSA-N -1 0 380.516 4.543 50 0 GJAARM Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000006751053 570569546 /nfs/dbraw/zinc/56/95/46/570569546.db2.gz JDIVZLPMDNMMFW-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM O=C([O-])c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000044559762 570633534 /nfs/dbraw/zinc/63/35/34/570633534.db2.gz MEAQCLPMSVEOQF-UHFFFAOYSA-N -1 0 392.377 4.815 50 0 in-vivo GJAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)s2)o1 ZINC000065003742 570644014 /nfs/dbraw/zinc/64/40/14/570644014.db2.gz SIRDSKBJHYJEFJ-UHFFFAOYSA-N -1 0 388.392 4.531 50 0 GJAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416039 570669800 /nfs/dbraw/zinc/66/98/00/570669800.db2.gz ZTLGYKKGOBMPET-UHFFFAOYSA-N -1 0 390.826 4.602 50 0 GJAARM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000012992861 570738524 /nfs/dbraw/zinc/73/85/24/570738524.db2.gz PZGOBUHAULUBIA-UHFFFAOYSA-N -1 0 390.222 4.882 50 0 GJAARM Cc1cc(C)c2c(nn3c2nc(-c2ccc(Cl)cc2Cl)cc3C(=O)[O-])n1 ZINC000013645828 570766108 /nfs/dbraw/zinc/76/61/08/570766108.db2.gz BVMZHLJPPYHRKL-UHFFFAOYSA-N -1 0 387.226 4.566 50 0 GJAARM O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@@H]([C@H]1CC=CCC1)CC(=O)O2 ZINC000524731880 570766818 /nfs/dbraw/zinc/76/68/18/570766818.db2.gz NPFREZSWVDKTAI-GOEBONIOSA-N -1 0 388.419 4.915 50 0 biogenic GJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000004645032 570777214 /nfs/dbraw/zinc/77/72/14/570777214.db2.gz CPZAAQIZPWFUCI-IRIMRDQDSA-N -1 0 388.467 4.674 50 0 GJAARM CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@@H](C(=O)[O-])C1 ZINC000004651457 570806785 /nfs/dbraw/zinc/80/67/85/570806785.db2.gz DKBMKSLNFMHPCW-GJZGRUSLSA-N -1 0 390.892 4.849 50 0 GJAARM CCOC(=O)c1sc(C(F)(F)F)cc1-c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000101455976 570823728 /nfs/dbraw/zinc/82/37/28/570823728.db2.gz DLHWRVCPBIYVEG-UHFFFAOYSA-N -1 0 396.390 4.810 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253475991 570826901 /nfs/dbraw/zinc/82/69/01/570826901.db2.gz DXOCDBGWDZAYRQ-DZBLGAKOSA-N -1 0 390.564 4.686 50 0 GJAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000003623695 570878747 /nfs/dbraw/zinc/87/87/47/570878747.db2.gz DQFCZGPNSMFEKZ-HXUWFJFHSA-N -1 0 383.488 4.719 50 0 GJAARM CCCCCn1c(=O)c2ccc(C(=O)Nc3cccc(C)c3)cc2[n-]c1=S ZINC000003631130 570879679 /nfs/dbraw/zinc/87/96/79/570879679.db2.gz ATWLVGDDHJHQHU-UHFFFAOYSA-N -1 0 381.501 4.810 50 0 GJAARM C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000381888248 570914293 /nfs/dbraw/zinc/91/42/93/570914293.db2.gz CJXLKGZDLUALHA-OFNKIYASSA-N -1 0 379.456 4.559 50 0 GJAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)o1 ZINC000226851968 570936688 /nfs/dbraw/zinc/93/66/88/570936688.db2.gz KBVPLVCXWSYUCV-HXUWFJFHSA-N -1 0 391.423 4.643 50 0 GJAARM Cc1cc2c(ncn2C(C)C)c([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000001388525 212241591 /nfs/dbraw/zinc/24/15/91/212241591.db2.gz XZVLZBSMANYOQY-UHFFFAOYSA-N -1 0 377.897 4.688 50 0 GJAARM Cc1ccccc1C(=O)Nc1cc(NC(=O)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000001193772 212228892 /nfs/dbraw/zinc/22/88/92/212228892.db2.gz IZLKYBDEOMUUGC-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM Cc1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1 ZINC000000980843 212201701 /nfs/dbraw/zinc/20/17/01/212201701.db2.gz VCDMKTSCYVIHOK-UHFFFAOYSA-N -1 0 382.847 4.518 50 0 GJAARM O=C([O-])c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)CCC2 ZINC000000714972 206319185 /nfs/dbraw/zinc/31/91/85/206319185.db2.gz XURMCMFXDBAMAT-UHFFFAOYSA-N -1 0 377.465 4.706 50 0 GJAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)cc2)cc1 ZINC000001119261 206355064 /nfs/dbraw/zinc/35/50/64/206355064.db2.gz CPMAIBZPAIATEN-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM Cc1cccc(C)c1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000001255549 206370223 /nfs/dbraw/zinc/37/02/23/206370223.db2.gz CTOJJURJJQACLA-UHFFFAOYSA-N -1 0 378.472 4.622 50 0 GJAARM COc1ccc(C(=O)[O-])cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582966 206422075 /nfs/dbraw/zinc/42/20/75/206422075.db2.gz RHASRZZYFQOPAC-UHFFFAOYSA-N -1 0 389.407 4.754 50 0 GJAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000020744785 207212687 /nfs/dbraw/zinc/21/26/87/207212687.db2.gz CVURJRFLDMZRSM-UHFFFAOYSA-N -1 0 397.378 4.513 50 0 GJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1Cl ZINC000025763557 207305559 /nfs/dbraw/zinc/30/55/59/207305559.db2.gz BJNIGJLNKCHXGG-UHFFFAOYSA-N -1 0 377.625 4.653 50 0 GJAARM O=c1cc([O-])c2sc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000026779569 207318922 /nfs/dbraw/zinc/31/89/22/207318922.db2.gz GXCQIRVWGGMEPM-UHFFFAOYSA-N -1 0 380.322 4.668 50 0 GJAARM CC(C)c1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)cc1 ZINC000065150485 207838541 /nfs/dbraw/zinc/83/85/41/207838541.db2.gz SDIKHXOZBYHDHG-LBPRGKRZSA-N -1 0 396.512 4.796 50 0 GJAARM O=S(=O)([N-]c1cnc2ccccc2c1)c1cc(Cl)c(Cl)cc1Cl ZINC000072414273 208018649 /nfs/dbraw/zinc/01/86/49/208018649.db2.gz LLSSIXOOXSYQFX-UHFFFAOYSA-N -1 0 387.675 4.996 50 0 GJAARM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005030728 220816341 /nfs/dbraw/zinc/81/63/41/220816341.db2.gz AXCUDMUNGGTJLL-UHFFFAOYSA-N -1 0 389.032 4.706 50 0 GJAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000007785158 221012567 /nfs/dbraw/zinc/01/25/67/221012567.db2.gz VRNOTALTLRBDHD-SDNWHVSQSA-N -1 0 393.830 4.991 50 0 GJAARM O=C([O-])C/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000007914151 221016052 /nfs/dbraw/zinc/01/60/52/221016052.db2.gz GKHMKAOPPMSVBF-MDWZMJQESA-N -1 0 385.803 4.658 50 0 GJAARM CC(C)CSc1n[n-]c2nc3c(c(=O)n21)C1(CCCC1)Cc1ccccc1-3 ZINC000009358799 221079448 /nfs/dbraw/zinc/07/94/48/221079448.db2.gz MRRMZPGISUCHPU-UHFFFAOYSA-N -1 0 380.517 4.613 50 0 GJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)c1 ZINC000014849668 221317868 /nfs/dbraw/zinc/31/78/68/221317868.db2.gz LWWZCZWTLWAVOW-UHFFFAOYSA-N -1 0 395.484 4.748 50 0 GJAARM COc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795265 222081670 /nfs/dbraw/zinc/08/16/70/222081670.db2.gz HUAQAZSUGZZMKD-AWEZNQCLSA-N -1 0 379.437 4.596 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)on1 ZINC000064845378 222084994 /nfs/dbraw/zinc/08/49/94/222084994.db2.gz ARIPLACWZXRBOW-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)[O-])c2)C3=O)cc1C ZINC000001154576 570249903 /nfs/dbraw/zinc/24/99/03/570249903.db2.gz YXBLZVYWHUZGGO-UHFFFAOYSA-N -1 0 387.391 4.595 50 0 GJAARM CCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005978837 570274762 /nfs/dbraw/zinc/27/47/62/570274762.db2.gz PVGDCPCQMUXSGF-UHFFFAOYSA-N -1 0 399.299 4.615 50 0 GJAARM O=S(=O)([N-]c1cccc(-c2nc3ccccc3s2)c1)c1ccccc1F ZINC000000630182 570278291 /nfs/dbraw/zinc/27/82/91/570278291.db2.gz WPXBGRDWCZZFTB-UHFFFAOYSA-N -1 0 384.457 4.903 50 0 GJAARM COc1ccc([C@H]2CC(=O)CC(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000100917852 570279141 /nfs/dbraw/zinc/27/91/41/570279141.db2.gz APLRHUIRZISVRH-RHSMWYFYSA-N -1 0 397.780 4.562 50 0 GJAARM CCCCOc1ccc(CO[N-]C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002299177 570281553 /nfs/dbraw/zinc/28/15/53/570281553.db2.gz FQJJOOLEGDPPLR-UHFFFAOYSA-N -1 0 398.286 4.799 50 0 GJAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000002386051 570285334 /nfs/dbraw/zinc/28/53/34/570285334.db2.gz ZJBPFSBDUVNICK-QFIPXVFZSA-N -1 0 387.435 4.693 50 0 GJAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005010073 570423905 /nfs/dbraw/zinc/42/39/05/570423905.db2.gz LAUQDWZVZQQKMK-HNNXBMFYSA-N -1 0 379.378 4.594 50 0 GJAARM O=C([O-])c1ccccc1N1N=C(c2ccccc2)C[C@H]1CC(=O)c1ccccc1 ZINC000006668849 570527163 /nfs/dbraw/zinc/52/71/63/570527163.db2.gz UTDXPNMECYJFJX-IBGZPJMESA-N -1 0 384.435 4.641 50 0 GJAARM Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000004755717 570539838 /nfs/dbraw/zinc/53/98/38/570539838.db2.gz DQSHIIYYJQHIQM-HNNXBMFYSA-N -1 0 379.378 4.594 50 0 GJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1 ZINC000064795956 570546842 /nfs/dbraw/zinc/54/68/42/570546842.db2.gz BKHDSVBYCRLTGU-INIZCTEOSA-N -1 0 393.464 4.904 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1-c1ccno1 ZINC000064845274 570565062 /nfs/dbraw/zinc/56/50/62/570565062.db2.gz KLEBGEZGOOKJHX-UHFFFAOYSA-N -1 0 388.514 4.700 50 0 GJAARM C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000112971388 570570853 /nfs/dbraw/zinc/57/08/53/570570853.db2.gz YNELJETWNMPEEH-UZLBHIALSA-N -1 0 383.488 4.900 50 0 GJAARM O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000006779232 570585697 /nfs/dbraw/zinc/58/56/97/570585697.db2.gz USMWCMBUWWWDCW-SFTDATJTSA-N -1 0 393.389 4.530 50 0 GJAARM CCOc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000003581202 570612147 /nfs/dbraw/zinc/61/21/47/570612147.db2.gz XDWSGGFUMFFYFZ-UHFFFAOYSA-N -1 0 387.432 4.818 50 0 GJAARM C[C@H]1CCCC[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071084647 570616383 /nfs/dbraw/zinc/61/63/83/570616383.db2.gz YGBJSIBWMAKQPS-WNSKOXEYSA-N -1 0 379.456 4.559 50 0 GJAARM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004275 570644423 /nfs/dbraw/zinc/64/44/23/570644423.db2.gz HJCHTOMJSRTIRS-UHFFFAOYSA-N -1 0 396.440 4.750 50 0 GJAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000045796256 570649056 /nfs/dbraw/zinc/64/90/56/570649056.db2.gz RWGLUBLPUIVSPT-UWJYYQICSA-N -1 0 392.842 4.770 50 0 GJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2onc(C)c2C)s1 ZINC000065031324 570652069 /nfs/dbraw/zinc/65/20/69/570652069.db2.gz FLHARAXDSHSSCB-UHFFFAOYSA-N -1 0 376.503 4.692 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000006887637 570682178 /nfs/dbraw/zinc/68/21/78/570682178.db2.gz AOMPYXHVUUDQCJ-UHFFFAOYSA-N -1 0 384.501 4.636 50 0 aggregator GJAARM COc1cccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])c1 ZINC000004625762 570702816 /nfs/dbraw/zinc/70/28/16/570702816.db2.gz SEMYGYPFIORBGA-UHFFFAOYSA-N -1 0 392.358 4.538 50 0 GJAARM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001184250 570713327 /nfs/dbraw/zinc/71/33/27/570713327.db2.gz CBHKHIHSRYHXHU-UHFFFAOYSA-N -1 0 389.407 4.779 50 0 GJAARM O=C([O-])CC/C(=C/c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000058241405 570721874 /nfs/dbraw/zinc/72/18/74/570721874.db2.gz BBDZNIZTGBIEDH-PDGQHHTCSA-N -1 0 389.480 4.947 50 0 GJAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl ZINC000032717118 570755730 /nfs/dbraw/zinc/75/57/30/570755730.db2.gz KQHWINBJNATBNE-UHFFFAOYSA-N -1 0 376.208 4.875 50 0 GJAARM CC1([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CCCCC1 ZINC000394665719 570796285 /nfs/dbraw/zinc/79/62/85/570796285.db2.gz IFIPWXDCTFSSKZ-NRFANRHFSA-N -1 0 393.483 4.949 50 0 GJAARM CSc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000065322746 570800582 /nfs/dbraw/zinc/80/05/82/570800582.db2.gz DUUDEEVGYUSHCB-UHFFFAOYSA-N -1 0 376.441 4.560 50 0 GJAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1nc2ccccc2s1 ZINC000005678025 570801857 /nfs/dbraw/zinc/80/18/57/570801857.db2.gz MWNYDKQQWGOZAO-UHFFFAOYSA-N -1 0 395.436 4.514 50 0 biogenic GJAARM CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@H](C(=O)[O-])C1 ZINC000004651458 570806842 /nfs/dbraw/zinc/80/68/42/570806842.db2.gz DKBMKSLNFMHPCW-LSDHHAIUSA-N -1 0 390.892 4.849 50 0 GJAARM CCOC(=O)C(CC(=O)[O-])=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000071769534 570852042 /nfs/dbraw/zinc/85/20/42/570852042.db2.gz SEKTWSBVPVTHCU-UHFFFAOYSA-N -1 0 379.239 4.833 50 0 GJAARM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3cccc(F)c3)C12 ZINC000102739441 570861360 /nfs/dbraw/zinc/86/13/60/570861360.db2.gz HFJDMGIHTIYPSS-APPDUMDISA-N -1 0 382.420 4.899 50 0 GJAARM COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@@H](c3cccs3)CC(=O)C21 ZINC000102754473 570862097 /nfs/dbraw/zinc/86/20/97/570862097.db2.gz CCSNQPQREKKEIN-ZMZPIMSZSA-N -1 0 394.456 4.769 50 0 GJAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000003623706 570878733 /nfs/dbraw/zinc/87/87/33/570878733.db2.gz HYXDNYCVDDLFJV-INIZCTEOSA-N -1 0 396.270 4.728 50 0 GJAARM CCc1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c1 ZINC000033306739 570967354 /nfs/dbraw/zinc/96/73/54/570967354.db2.gz CQLROYJLCOHVNQ-UHFFFAOYSA-N -1 0 389.546 4.735 50 0 GJAARM Cc1c2ccc(OCc3cccc4ccccc43)cc2oc(=O)c1CCC(=O)[O-] ZINC000002151654 570973020 /nfs/dbraw/zinc/97/30/20/570973020.db2.gz PSSMFDATKZSCAH-UHFFFAOYSA-N -1 0 388.419 4.851 50 0 biogenic GJAARM Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCC(=O)[O-])c2c1C ZINC000585146017 570973103 /nfs/dbraw/zinc/97/31/03/570973103.db2.gz NZRPYMSHVGYLCX-UHFFFAOYSA-N -1 0 393.921 4.750 50 0 GJAARM CCCC[C@](CCC(=O)[O-])(C(=O)OCC)c1csc(Nc2ccccc2)n1 ZINC000002196647 570996837 /nfs/dbraw/zinc/99/68/37/570996837.db2.gz BQBLDUOCIMPGKJ-HXUWFJFHSA-N -1 0 390.505 4.743 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053301 571015007 /nfs/dbraw/zinc/01/50/07/571015007.db2.gz WCLVQLINUWEHMV-UHFFFAOYSA-N -1 0 380.469 4.725 50 0 GJAARM COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000046076470 571020373 /nfs/dbraw/zinc/02/03/73/571020373.db2.gz LUVQQYUZNMGEJI-MRXNPFEDSA-N -1 0 379.437 4.596 50 0 GJAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347855 222779270 /nfs/dbraw/zinc/77/92/70/222779270.db2.gz WMUMZOAFCDOTRW-QACFXDPSSA-N -1 0 390.564 4.686 50 0 GJAARM CSCC[C@@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000001900834 212259006 /nfs/dbraw/zinc/25/90/06/212259006.db2.gz VNUFJGXQRBFQHB-OAHLLOKOSA-N -1 0 393.468 4.661 50 0 GJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)c(F)c(C(C)(C)C)c2)n1 ZINC000001188815 212227311 /nfs/dbraw/zinc/22/73/11/212227311.db2.gz HYPHZIMWWXPVTJ-UHFFFAOYSA-N -1 0 378.513 4.925 50 0 GJAARM CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000944214 212198905 /nfs/dbraw/zinc/19/89/05/212198905.db2.gz VYQIVIBAMOIKBT-UHFFFAOYSA-N -1 0 384.819 4.815 50 0 GJAARM COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1O ZINC000007748839 212116841 /nfs/dbraw/zinc/11/68/41/212116841.db2.gz IRRJLXPTYBYFAZ-XYOKQWHBSA-N -1 0 381.815 4.787 50 0 GJAARM C[C@H](c1ccccc1)N1C(=O)c2ccc(Oc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000000990911 206340315 /nfs/dbraw/zinc/34/03/15/206340315.db2.gz YXHYOFGCOMQQIP-CQSZACIVSA-N -1 0 387.391 4.534 50 0 GJAARM Cc1cccc(S[C@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])c1 ZINC000001057755 206346782 /nfs/dbraw/zinc/34/67/82/206346782.db2.gz XVMCTOTWOAZALL-MRXNPFEDSA-N -1 0 379.275 4.576 50 0 GJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)c1 ZINC000001141762 206358288 /nfs/dbraw/zinc/35/82/88/206358288.db2.gz UGQROOBGJSHOKU-UHFFFAOYSA-N -1 0 377.506 4.751 50 0 GJAARM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(Cl)c1Cl ZINC000001131343 206357780 /nfs/dbraw/zinc/35/77/80/206357780.db2.gz KQNFLIWMXAUXHM-UHFFFAOYSA-N -1 0 384.643 4.595 50 0 GJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000001513175 206384611 /nfs/dbraw/zinc/38/46/11/206384611.db2.gz CPZAAQIZPWFUCI-MZTVPOPMSA-N -1 0 388.467 4.674 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000015081476 207046918 /nfs/dbraw/zinc/04/69/18/207046918.db2.gz CAUKDTWGBGSLHN-AWEZNQCLSA-N -1 0 385.391 4.866 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1cccc(F)c1F ZINC000015107225 207047838 /nfs/dbraw/zinc/04/78/38/207047838.db2.gz BYJIADYNGMQAFA-LBPRGKRZSA-N -1 0 385.391 4.866 50 0 GJAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4ccc(Cl)cc4)c(=O)c32)C1 ZINC000017077117 207082298 /nfs/dbraw/zinc/08/22/98/207082298.db2.gz CBTFFZGSBCQPRL-JTQLQIEISA-N -1 0 376.934 4.947 50 0 GJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C3CC3)o2)ccc1C ZINC000021034253 207224505 /nfs/dbraw/zinc/22/45/05/207224505.db2.gz FSZMJGRRCFKZNC-UHFFFAOYSA-N -1 0 398.484 4.645 50 0 GJAARM Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4ccc(C)cc4)on3)n2)s1 ZINC000028291187 207339661 /nfs/dbraw/zinc/33/96/61/207339661.db2.gz WJGYIGFSZMZXJF-UHFFFAOYSA-N -1 0 382.470 4.791 50 0 GJAARM O=C([O-])CCc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 ZINC000097166019 208339950 /nfs/dbraw/zinc/33/99/50/208339950.db2.gz JTQYRAZUIHNOPY-UHFFFAOYSA-N -1 0 393.226 4.640 50 0 GJAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Br)cc1Cl ZINC000002853087 208714307 /nfs/dbraw/zinc/71/43/07/208714307.db2.gz MAKJKVWHTXNTBV-UHFFFAOYSA-N -1 0 383.629 4.753 50 0 GJAARM CC1(C)CCC(C)(C)c2cc([C@@H](O)C(=O)Nc3ccc(C(=O)[O-])cc3F)ccc21 ZINC000003871759 220668180 /nfs/dbraw/zinc/66/81/80/220668180.db2.gz AANFHDFOMFRLLR-LJQANCHMSA-N -1 0 399.462 4.545 50 0 in-vivo GJAARM C[C@@H](Sc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1)C(=O)[O-] ZINC000005587157 220884490 /nfs/dbraw/zinc/88/44/90/220884490.db2.gz PHFGYRUSSNJJHT-OAHLLOKOSA-N -1 0 389.480 4.577 50 0 GJAARM CN(Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1)c1ccccc1 ZINC000007719431 221008216 /nfs/dbraw/zinc/00/82/16/221008216.db2.gz DTQYZMNMVHHPDD-UHFFFAOYSA-N -1 0 381.888 4.941 50 0 GJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000012420595 221191923 /nfs/dbraw/zinc/19/19/23/221191923.db2.gz QSBVUFURAAUXRB-OAHLLOKOSA-N -1 0 397.427 4.735 50 0 GJAARM COc1ccc(-c2cc(COc3cc4ccccc4cc3C(=O)[O-])on2)cc1 ZINC000012985906 221253231 /nfs/dbraw/zinc/25/32/31/221253231.db2.gz ICHASNZLINMCHE-UHFFFAOYSA-N -1 0 375.380 4.781 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845386 222085018 /nfs/dbraw/zinc/08/50/18/222085018.db2.gz MHGTTWSFCKZOEC-UHFFFAOYSA-N -1 0 376.503 4.692 50 0 GJAARM O=C([O-])[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 ZINC000012809042 570222433 /nfs/dbraw/zinc/22/24/33/570222433.db2.gz MELSIQYSNFVIPJ-GFCCVEGCSA-N -1 0 389.732 4.695 50 0 GJAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000100658356 570274312 /nfs/dbraw/zinc/27/43/12/570274312.db2.gz SRUGZRUYCZLZAB-UHFFFAOYSA-N -1 0 378.472 4.766 50 0 GJAARM Cc1cc(C(=O)CSc2c(F)c(F)c(C(=O)[O-])c(F)c2F)ccc1Cl ZINC000002153029 570276432 /nfs/dbraw/zinc/27/64/32/570276432.db2.gz DWABPDQVILZPRU-UHFFFAOYSA-N -1 0 392.757 4.878 50 0 GJAARM O=C([O-])CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 ZINC000002387018 570285277 /nfs/dbraw/zinc/28/52/77/570285277.db2.gz XAUDVWHRZVURNT-UHFFFAOYSA-N -1 0 379.456 4.703 50 0 GJAARM CC[C@H](C)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389783 570285605 /nfs/dbraw/zinc/28/56/05/570285605.db2.gz ITDOZAVXEQIJIE-YCRPNKLZSA-N -1 0 381.472 4.805 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c(=O)o1 ZINC000005441853 570311896 /nfs/dbraw/zinc/31/18/96/570311896.db2.gz IFTOLFFKMKSNOE-LJQANCHMSA-N -1 0 379.437 4.717 50 0 biogenic GJAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000005774106 570348165 /nfs/dbraw/zinc/34/81/65/570348165.db2.gz DPIKOWRJRJDXBN-JOCHJYFZSA-N -1 0 399.450 4.712 50 0 GJAARM CCc1ccc(N(CC)C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1 ZINC000004920473 570366438 /nfs/dbraw/zinc/36/64/38/570366438.db2.gz NBUUILOAWDJCMH-UHFFFAOYSA-N -1 0 384.863 4.678 50 0 GJAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557099 570395949 /nfs/dbraw/zinc/39/59/49/570395949.db2.gz CCWJOHBOWBYJRN-UHFFFAOYSA-N -1 0 395.893 4.520 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557606 570396553 /nfs/dbraw/zinc/39/65/53/570396553.db2.gz MIYZZAHDCWBXDH-UHFFFAOYSA-N -1 0 389.502 4.565 50 0 GJAARM O=C([O-])C[C@@H](CC(=O)N(Cc1ccsc1)Cc1ccco1)c1cccs1 ZINC000090607333 570413763 /nfs/dbraw/zinc/41/37/63/570413763.db2.gz LZMDVBVWSGBPPG-OAHLLOKOSA-N -1 0 389.498 4.580 50 0 GJAARM Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000005048734 570426276 /nfs/dbraw/zinc/42/62/76/570426276.db2.gz RQFFXYWAGBRZQL-UHFFFAOYSA-N -1 0 397.434 4.864 50 0 GJAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1C(C)C ZINC000006700646 570488600 /nfs/dbraw/zinc/48/86/00/570488600.db2.gz VWNFDSKKLZXALR-UHFFFAOYSA-N -1 0 383.897 4.672 50 0 GJAARM Cc1ccccc1[C@H]1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589252 570489784 /nfs/dbraw/zinc/48/97/84/570489784.db2.gz JOHCLGJHKJQSIJ-SFHVURJKSA-N -1 0 392.499 4.816 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)s2)n1 ZINC000064769285 570541222 /nfs/dbraw/zinc/54/12/22/570541222.db2.gz FNMRRSLUMXOACI-UHFFFAOYSA-N -1 0 384.935 4.888 50 0 GJAARM CC(C)CC(=O)NC([N-]c1ccccc1Cl)(C(F)(F)F)C(F)(F)F ZINC000005284493 570549718 /nfs/dbraw/zinc/54/97/18/570549718.db2.gz FJFILOSXSOABGI-UHFFFAOYSA-N -1 0 376.728 4.735 50 0 GJAARM Cc1nc([N-]c2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 ZINC000009244579 570553684 /nfs/dbraw/zinc/55/36/84/570553684.db2.gz KKEUNMMVYMWOGT-OAHLLOKOSA-N -1 0 399.429 4.524 50 0 GJAARM O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000035529461 570554064 /nfs/dbraw/zinc/55/40/64/570554064.db2.gz JBZXLQHJZHITMW-KBJGYGKASA-N -1 0 391.467 4.653 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1 ZINC000064820377 570555340 /nfs/dbraw/zinc/55/53/40/570555340.db2.gz DEDRHPXOCHTYEG-UHFFFAOYSA-N -1 0 392.430 4.803 50 0 GJAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1 ZINC000036293984 570563056 /nfs/dbraw/zinc/56/30/56/570563056.db2.gz GIWHXPBIKFOIEO-UHFFFAOYSA-N -1 0 387.844 4.506 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000064947020 570603819 /nfs/dbraw/zinc/60/38/19/570603819.db2.gz KFXYEARMGHQTBV-UHFFFAOYSA-N -1 0 389.908 4.560 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001636287 570665111 /nfs/dbraw/zinc/66/51/11/570665111.db2.gz DXOCDBGWDZAYRQ-DPPFNUDYSA-N -1 0 390.564 4.686 50 0 GJAARM O=C([O-])[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 ZINC000685944820 570675943 /nfs/dbraw/zinc/67/59/43/570675943.db2.gz ASVZIEVAFBQBPI-GGAORHGYSA-N -1 0 399.446 4.838 50 0 GJAARM O=c1[n-]c(=S)nc2[nH]c3c(c(-c4cccs4)c1-2)-c1ccccc1CCC3 ZINC000006927926 570708514 /nfs/dbraw/zinc/70/85/14/570708514.db2.gz OCMNWMLWTBSEPO-UHFFFAOYSA-N -1 0 377.494 4.865 50 0 GJAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCc1ccccc1 ZINC000000641860 570708563 /nfs/dbraw/zinc/70/85/63/570708563.db2.gz VMHXZNYFTSROBC-UHFFFAOYSA-N -1 0 393.053 4.928 50 0 GJAARM O=C1N=C(SCc2ccc(Cl)cc2)N=C([O-])C1C/C=C/c1ccccc1 ZINC000051330942 570929815 /nfs/dbraw/zinc/92/98/15/570929815.db2.gz IXPMQBRFSJBGPJ-QPJJXVBHSA-N -1 0 384.888 4.677 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)o1 ZINC000005441836 570947337 /nfs/dbraw/zinc/94/73/37/570947337.db2.gz FJUCQYUXJZEVIC-LJQANCHMSA-N -1 0 379.437 4.717 50 0 biogenic GJAARM CC(C)(C)c1csc(-c2csc(S(=O)(=O)[N-]c3ccccc3)c2)n1 ZINC000033297833 570961912 /nfs/dbraw/zinc/96/19/12/570961912.db2.gz RITDJKJJZHPRNW-UHFFFAOYSA-N -1 0 378.544 4.970 50 0 GJAARM Cc1csc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2)n1 ZINC000033297616 570961962 /nfs/dbraw/zinc/96/19/62/570961962.db2.gz SPSAVEVOIXGCQF-UHFFFAOYSA-N -1 0 384.935 4.943 50 0 GJAARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000033299300 570963952 /nfs/dbraw/zinc/96/39/52/570963952.db2.gz YULBUSZCFONTGM-UHFFFAOYSA-N -1 0 388.392 4.531 50 0 GJAARM CC[C@H](C)[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000252540076 570993256 /nfs/dbraw/zinc/99/32/56/570993256.db2.gz ORXOWLQQKRYEGW-YHJVDBJQSA-N -1 0 391.870 4.617 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)s1 ZINC000046056874 571017244 /nfs/dbraw/zinc/01/72/44/571017244.db2.gz DITCQMPIMYUAPN-QGZVFWFLSA-N -1 0 393.512 4.730 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)s1 ZINC000046057437 571017821 /nfs/dbraw/zinc/01/78/21/571017821.db2.gz ZMSOKZDBIYLNQT-QGZVFWFLSA-N -1 0 393.512 4.676 50 0 GJAARM CCN(C(=O)CSCc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC000012779119 571032603 /nfs/dbraw/zinc/03/26/03/571032603.db2.gz URFZZJCADJCGDR-UHFFFAOYSA-N -1 0 379.481 4.824 50 0 GJAARM CCSc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)s1 ZINC000095382315 571068027 /nfs/dbraw/zinc/06/80/27/571068027.db2.gz BGDCZLRPWDAQHG-HNNXBMFYSA-N -1 0 375.515 4.578 50 0 GJAARM CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000000675093 212172217 /nfs/dbraw/zinc/17/22/17/212172217.db2.gz SYMHCTPDXDKNHO-NEPXVJNWSA-N -1 0 398.528 4.694 50 0 GJAARM O=C([O-])c1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000162420349 212159901 /nfs/dbraw/zinc/15/99/01/212159901.db2.gz LLDDMZGYILWGLP-UHFFFAOYSA-N -1 0 385.419 4.650 50 0 GJAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCc1ccco1 ZINC000000641359 212100462 /nfs/dbraw/zinc/10/04/62/212100462.db2.gz OSBXOHAOBAFIPZ-UHFFFAOYSA-N -1 0 383.014 4.521 50 0 GJAARM O=C([O-])/C(=C/c1ccc(F)cc1)SCC(=O)Nc1ccccc1C(F)(F)F ZINC000027642477 206261622 /nfs/dbraw/zinc/26/16/22/206261622.db2.gz NWBRHBPCQDKCGN-DHDCSXOGSA-N -1 0 399.365 4.642 50 0 GJAARM CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(C(=O)[O-])ccc1C ZINC000000953634 206337816 /nfs/dbraw/zinc/33/78/16/206337816.db2.gz FPLQPIODWHCTHX-UHFFFAOYSA-N -1 0 378.428 4.779 50 0 GJAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)cc1Br ZINC000001427159 206380347 /nfs/dbraw/zinc/38/03/47/206380347.db2.gz NSJSFJIQHVKZSR-XJKSGUPXSA-N -1 0 390.277 4.591 50 0 GJAARM Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccs1 ZINC000001445860 206381831 /nfs/dbraw/zinc/38/18/31/206381831.db2.gz VJIZCUVPBGISET-UHFFFAOYSA-N -1 0 397.340 4.929 50 0 GJAARM Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000001145518 206359409 /nfs/dbraw/zinc/35/94/09/206359409.db2.gz KTTRIAVNWCNCIN-UHFFFAOYSA-N -1 0 388.423 4.506 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000001218618 206369656 /nfs/dbraw/zinc/36/96/56/206369656.db2.gz PWIGSLKLZDUOPX-IRXDYDNUSA-N -1 0 380.469 4.793 50 0 GJAARM Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])c(C(C)C)c1 ZINC000002051952 206396373 /nfs/dbraw/zinc/39/63/73/206396373.db2.gz CUAAGQOUXMQOHX-UHFFFAOYSA-N -1 0 384.501 4.724 50 0 GJAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(C2CCCCC2)cc1 ZINC000004148165 206504914 /nfs/dbraw/zinc/50/49/14/206504914.db2.gz XPEZSZOSSXAQCP-UHFFFAOYSA-N -1 0 395.322 4.693 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005094685 206590816 /nfs/dbraw/zinc/59/08/16/206590816.db2.gz PWIGSLKLZDUOPX-IAGOWNOFSA-N -1 0 380.469 4.793 50 0 GJAARM CCc1c(C)sc2[nH]c(=S)n(-c3cc(Cl)c([O-])c(Cl)c3)c(=O)c21 ZINC000017079050 207084229 /nfs/dbraw/zinc/08/42/29/207084229.db2.gz BRWKOCCUWHMMJJ-UHFFFAOYSA-N -1 0 387.313 4.619 50 0 GJAARM CCn1c2ccccc2c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000027534576 207326916 /nfs/dbraw/zinc/32/69/16/207326916.db2.gz DMJOYBIWHUVUSO-UHFFFAOYSA-N -1 0 390.361 4.559 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)n[nH]1 ZINC000033306707 207452097 /nfs/dbraw/zinc/45/20/97/207452097.db2.gz XSZINQIAKPHDCQ-UHFFFAOYSA-N -1 0 399.900 4.657 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(C)n2C)n1 ZINC000064668197 207804910 /nfs/dbraw/zinc/80/49/10/207804910.db2.gz ZEMMYKIFCILMCY-UHFFFAOYSA-N -1 0 395.937 4.528 50 0 GJAARM O=C([O-])c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c(Cl)c1 ZINC000072472823 208030299 /nfs/dbraw/zinc/03/02/99/208030299.db2.gz UQGACSMQQLMIMP-UHFFFAOYSA-N -1 0 378.819 4.589 50 0 GJAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1 ZINC000095478052 208193115 /nfs/dbraw/zinc/19/31/15/208193115.db2.gz WXTVLIZFSBUAMP-KRWDZBQOSA-N -1 0 399.859 4.648 50 0 GJAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Cl)cc4)c32)cc1 ZINC000095476155 208193350 /nfs/dbraw/zinc/19/33/50/208193350.db2.gz XTLXQZXAKSKMGP-KRWDZBQOSA-N -1 0 399.859 4.648 50 0 GJAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000095477583 208193534 /nfs/dbraw/zinc/19/35/34/208193534.db2.gz WPUFPFGQMHNNGC-QGZVFWFLSA-N -1 0 399.859 4.648 50 0 GJAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 ZINC000002387001 220529301 /nfs/dbraw/zinc/52/93/01/220529301.db2.gz OTFVOIGWAZDVSI-LJQANCHMSA-N -1 0 393.464 4.803 50 0 GJAARM O=C([O-])C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl ZINC000004718144 220754604 /nfs/dbraw/zinc/75/46/04/220754604.db2.gz OOFDSNXJASCZBR-SUZAXQQNSA-N -1 0 396.314 4.842 50 0 GJAARM O=C([O-])/C(=C\c1cccc(C(F)(F)F)c1)Sc1nnc(-c2ccco2)o1 ZINC000007987651 221020363 /nfs/dbraw/zinc/02/03/63/221020363.db2.gz BESIBBUOZODHDZ-XYOKQWHBSA-N -1 0 382.319 4.566 50 0 GJAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000012371555 221186460 /nfs/dbraw/zinc/18/64/60/221186460.db2.gz MVHNPQGGSBECME-OAHLLOKOSA-N -1 0 397.427 4.735 50 0 GJAARM COc1ccc(-c2cc3[n-]c(CN(C)Cc4cccs4)nc(=O)c3s2)cc1 ZINC000012903454 221243942 /nfs/dbraw/zinc/24/39/42/221243942.db2.gz KHTGQKOUHOXMKO-UHFFFAOYSA-N -1 0 397.525 4.766 50 0 GJAARM Cc1oc(=O)c(-c2csc(-c3ccc(Cl)cc3)n2)c([O-])c1Br ZINC000017173195 221380842 /nfs/dbraw/zinc/38/08/42/221380842.db2.gz UYSJGIAMTZNGOE-UHFFFAOYSA-N -1 0 398.665 4.860 50 0 GJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC(C)C)c1 ZINC000017246802 221382772 /nfs/dbraw/zinc/38/27/72/221382772.db2.gz XQALNUKULLGGPI-UHFFFAOYSA-N -1 0 398.532 4.505 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000017081214 221378824 /nfs/dbraw/zinc/37/88/24/221378824.db2.gz LXULDCFXHOSSLS-QWRGUYRKSA-N -1 0 397.283 4.722 50 0 GJAARM Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n2c(=O)c1Cc1ccccc1 ZINC000018254949 221391453 /nfs/dbraw/zinc/39/14/53/221391453.db2.gz WPEGTLMDBIOIKH-UHFFFAOYSA-N -1 0 383.373 4.608 50 0 GJAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc2ccccc21 ZINC000063809317 222067319 /nfs/dbraw/zinc/06/73/19/222067319.db2.gz KLWPDFXRHQNXEJ-LBPRGKRZSA-N -1 0 375.453 4.642 50 0 GJAARM CCOc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000064795270 222081535 /nfs/dbraw/zinc/08/15/35/222081535.db2.gz QMQBSMSGRSNZNA-HNNXBMFYSA-N -1 0 393.464 4.986 50 0 GJAARM Cc1ccccc1OC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000239432892 525277798 /nfs/dbraw/zinc/27/77/98/525277798.db2.gz WUQLIJJPZVMJTA-MESAYYPLSA-N -1 0 386.447 4.799 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)s1 ZINC000035170944 570244162 /nfs/dbraw/zinc/24/41/62/570244162.db2.gz VRCZPQMIJUQRQY-MRXNPFEDSA-N -1 0 393.512 4.730 50 0 GJAARM CCc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000002372930 570284586 /nfs/dbraw/zinc/28/45/86/570284586.db2.gz XPHPJHWJOCGFDG-OAHLLOKOSA-N -1 0 399.454 4.540 50 0 GJAARM CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)[O-])C1 ZINC000002513078 570289302 /nfs/dbraw/zinc/28/93/02/570289302.db2.gz KKYVRPWWYUVUPJ-SFHVURJKSA-N -1 0 388.291 4.638 50 0 GJAARM CCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002576806 570291306 /nfs/dbraw/zinc/29/13/06/570291306.db2.gz UUXKLESQZZGPLH-OAQYLSRUSA-N -1 0 381.472 4.949 50 0 GJAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(-c2ccccn2)s1 ZINC000004334508 570368769 /nfs/dbraw/zinc/36/87/69/570368769.db2.gz ZDCIWHRTPVXWKF-UHFFFAOYSA-N -1 0 399.541 4.601 50 0 GJAARM Cc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2c1 ZINC000004487075 570378092 /nfs/dbraw/zinc/37/80/92/570378092.db2.gz WLPLICWXKMHCQL-QGZVFWFLSA-N -1 0 395.466 4.693 50 0 GJAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 ZINC000004695766 570394265 /nfs/dbraw/zinc/39/42/65/570394265.db2.gz HMSKCPQZCPNPSC-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM CCOc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000252477703 570449700 /nfs/dbraw/zinc/44/97/00/570449700.db2.gz UIJMRJOLKFHDGW-UHFFFAOYSA-N -1 0 390.439 4.809 50 0 GJAARM CCCc1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000005904201 570461431 /nfs/dbraw/zinc/46/14/31/570461431.db2.gz GXZPCNJHWXCBEP-UHFFFAOYSA-N -1 0 380.440 4.842 50 0 biogenic GJAARM O=C([O-])c1cccc(N2COc3ccc4cc(Br)ccc4c3C2)c1 ZINC000006220741 570472657 /nfs/dbraw/zinc/47/26/57/570472657.db2.gz TXWJTQQVZSMAIR-UHFFFAOYSA-N -1 0 384.229 4.657 50 0 GJAARM Cc1cc(C)cc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005199514 570500491 /nfs/dbraw/zinc/50/04/91/570500491.db2.gz LRIUCVQDZOCJSG-KBXCAEBGSA-N -1 0 393.405 4.840 50 0 GJAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000007603921 570509948 /nfs/dbraw/zinc/50/99/48/570509948.db2.gz VXNWYOJTIBMRGS-UHFFFAOYSA-N -1 0 385.641 4.778 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)n2C)n1 ZINC000064668234 570514417 /nfs/dbraw/zinc/51/44/17/570514417.db2.gz XRLUBQMMDJGUCA-UHFFFAOYSA-N -1 0 395.937 4.528 50 0 GJAARM CC[C@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000042783113 570622854 /nfs/dbraw/zinc/62/28/54/570622854.db2.gz PKAWENJHBBXUSC-NOLJZWGESA-N -1 0 397.899 4.695 50 0 GJAARM Cc1nc2sc([C@H](c3ccccc3Cl)N(C)Cc3ccccc3)c([O-])n2n1 ZINC000004340818 570676152 /nfs/dbraw/zinc/67/61/52/570676152.db2.gz FIDRHXFFJQWSMH-KRWDZBQOSA-N -1 0 398.919 4.680 50 0 GJAARM CC(C)c1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)c1 ZINC000065150385 570711531 /nfs/dbraw/zinc/71/15/31/570711531.db2.gz UUJMWVZQJXTGDA-UHFFFAOYSA-N -1 0 382.485 4.550 50 0 GJAARM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626940 570879170 /nfs/dbraw/zinc/87/91/70/570879170.db2.gz HETRQTLKVFABGG-KDOFPFPSSA-N -1 0 389.879 4.565 50 0 GJAARM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626943 570879177 /nfs/dbraw/zinc/87/91/77/570879177.db2.gz HETRQTLKVFABGG-RDTXWAMCSA-N -1 0 389.879 4.565 50 0 GJAARM CC(C)N(C(=O)c1ccccc1-c1ccc(OC[C@@H]2C[C@H]2C(=O)[O-])cc1)C(C)C ZINC000534639312 570912681 /nfs/dbraw/zinc/91/26/81/570912681.db2.gz DYPNGXWAIRYDNP-PGRDOPGGSA-N -1 0 395.499 4.712 50 0 GJAARM CCCCOc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000002877005 570934283 /nfs/dbraw/zinc/93/42/83/570934283.db2.gz HSZYCOMQYSOBDR-HNNXBMFYSA-N -1 0 397.500 4.678 50 0 GJAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12 ZINC000020615542 570952087 /nfs/dbraw/zinc/95/20/87/570952087.db2.gz QXGNAGQDMSUOAR-UHFFFAOYSA-N -1 0 391.393 4.808 50 0 GJAARM CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2)on1 ZINC000033290291 570958191 /nfs/dbraw/zinc/95/81/91/570958191.db2.gz LVQBNGXUPONUHC-UHFFFAOYSA-N -1 0 376.503 4.890 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(C)s2)sc1C ZINC000033290102 570960851 /nfs/dbraw/zinc/96/08/51/570960851.db2.gz CHHDVCBSPBYFLH-UHFFFAOYSA-N -1 0 378.544 4.906 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C ZINC000033306718 570967123 /nfs/dbraw/zinc/96/71/23/570967123.db2.gz FBGVLEQZMZMTDK-UHFFFAOYSA-N -1 0 395.937 4.826 50 0 GJAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3OC)c(C)s2)cs1 ZINC000033308455 570968156 /nfs/dbraw/zinc/96/81/56/570968156.db2.gz HRWFIZVNAMBGHA-UHFFFAOYSA-N -1 0 394.543 4.552 50 0 GJAARM CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000956367 212199385 /nfs/dbraw/zinc/19/93/85/212199385.db2.gz WCWCBVUIQNJRMV-UHFFFAOYSA-N -1 0 389.451 4.728 50 0 GJAARM CC(=O)Nc1ccc(/C=C(/SCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000096834588 212156081 /nfs/dbraw/zinc/15/60/81/212156081.db2.gz BNFJATGGJJMKOM-LICLKQGHSA-N -1 0 384.482 4.571 50 0 GJAARM CCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000001305425 206371452 /nfs/dbraw/zinc/37/14/52/206371452.db2.gz HODNJZZWXHQZFD-UHFFFAOYSA-N -1 0 391.254 4.676 50 0 GJAARM O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccco1 ZINC000001414012 206378913 /nfs/dbraw/zinc/37/89/13/206378913.db2.gz ILFAMVDZAPENSU-UHFFFAOYSA-N -1 0 399.200 4.808 50 0 GJAARM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CCCC1 ZINC000002451866 206417527 /nfs/dbraw/zinc/41/75/27/206417527.db2.gz KISHCPBQUWMXSO-UHFFFAOYSA-N -1 0 399.874 4.935 50 0 GJAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000006887678 206689937 /nfs/dbraw/zinc/68/99/37/206689937.db2.gz SAUWZTXBBHENQR-UHFFFAOYSA-N -1 0 386.473 4.583 50 0 GJAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(-c2ccno2)s1 ZINC000012340563 206888585 /nfs/dbraw/zinc/88/85/85/206888585.db2.gz ITOVUTCMKDINFK-UHFFFAOYSA-N -1 0 398.465 4.996 50 0 GJAARM Cc1ccc(-c2cc3ncc(C(=O)c4cc(Cl)c(C)cc4[O-])cn3n2)cc1 ZINC000013828312 207000508 /nfs/dbraw/zinc/00/05/08/207000508.db2.gz DTSYNAIPRNWDAL-UHFFFAOYSA-N -1 0 377.831 4.603 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1cccc(F)c1 ZINC000015081486 207046951 /nfs/dbraw/zinc/04/69/51/207046951.db2.gz PQOIZUCPWJMCFX-AWEZNQCLSA-N -1 0 385.391 4.866 50 0 GJAARM Cc1cc(CSCc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)on1 ZINC000030525057 207372182 /nfs/dbraw/zinc/37/21/82/207372182.db2.gz DWOVJHSKHWTCQX-UHFFFAOYSA-N -1 0 387.461 4.521 50 0 GJAARM O=C([O-])COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000047218843 207679733 /nfs/dbraw/zinc/67/97/33/207679733.db2.gz ZXPCCQAJIMESAV-UHFFFAOYSA-N -1 0 389.407 4.511 50 0 GJAARM CCc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3cc(Cl)ccc3O2)cc1 ZINC000072332299 207996079 /nfs/dbraw/zinc/99/60/79/207996079.db2.gz SYHHSIOTAWLVRP-QVKFZJNVSA-N -1 0 395.846 4.522 50 0 GJAARM CCOc1ccc(-c2ccnc(NCc3ccc(SC)cc3)n2)cc1C(=O)[O-] ZINC000077517664 208049069 /nfs/dbraw/zinc/04/90/69/208049069.db2.gz SELVQZWEULDSMO-UHFFFAOYSA-N -1 0 395.484 4.575 50 0 GJAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414287 208019037 /nfs/dbraw/zinc/01/90/37/208019037.db2.gz BABXGALUVXFVBW-UHFFFAOYSA-N -1 0 384.501 4.866 50 0 GJAARM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000095349833 208155272 /nfs/dbraw/zinc/15/52/72/208155272.db2.gz OOPTYFPAHHKBIT-UHFFFAOYSA-N -1 0 392.436 4.744 50 0 GJAARM [O-]c1c(Cl)cc(Cl)c2ccc(/C=C\c3cnc(N4CCCC4)nc3)nc12 ZINC000097053808 208335402 /nfs/dbraw/zinc/33/54/02/208335402.db2.gz LQJWBGNAMQIQJX-ARJAWSKDSA-N -1 0 387.270 4.808 50 0 GJAARM CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccc(Br)c2)C1 ZINC000101101912 208388410 /nfs/dbraw/zinc/38/84/10/208388410.db2.gz SEQYSBCLWORXBI-CQSZACIVSA-N -1 0 389.253 4.704 50 0 GJAARM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 ZINC000004536428 208545858 /nfs/dbraw/zinc/54/58/58/208545858.db2.gz NJCPPCMQYYXNDZ-UHFFFAOYSA-N -1 0 375.302 4.916 50 0 GJAARM CCCc1cc2c(cc1OCC(=O)[O-])occ(-c1cc3ccccc3o1)c2=O ZINC000000941917 220469892 /nfs/dbraw/zinc/46/98/92/220469892.db2.gz NULDYROKPPXNJI-UHFFFAOYSA-N -1 0 378.380 4.622 50 0 biogenic GJAARM CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000004241213 220697040 /nfs/dbraw/zinc/69/70/40/220697040.db2.gz MNEMRGCBNUYVIW-QHCPKHFHSA-N -1 0 381.472 4.750 50 0 GJAARM O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000004163058 220688455 /nfs/dbraw/zinc/68/84/55/220688455.db2.gz ZZMDCGIDRVEUOO-SPWGLZBTSA-N -1 0 385.847 4.818 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000005126514 220833289 /nfs/dbraw/zinc/83/32/89/220833289.db2.gz XZVJWQOWGPKPOJ-HOTGVXAUSA-N -1 0 388.464 4.643 50 0 aggregator GJAARM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000008392451 221039729 /nfs/dbraw/zinc/03/97/29/221039729.db2.gz GSPMYUAIXNAZLL-CWTRNNRKSA-N -1 0 380.271 4.603 50 0 GJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009320853 221077894 /nfs/dbraw/zinc/07/78/94/221077894.db2.gz CSYLCMNOLZHUDX-UHFFFAOYSA-N -1 0 395.889 4.532 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013058363 221258602 /nfs/dbraw/zinc/25/86/02/221258602.db2.gz JBENWEJLZSMOJS-UHFFFAOYSA-N -1 0 379.787 4.558 50 0 GJAARM O=C([O-])c1cc(-c2ccccc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645091 221278618 /nfs/dbraw/zinc/27/86/18/221278618.db2.gz VSUWYCCIKAAKRD-UHFFFAOYSA-N -1 0 398.344 4.539 50 0 GJAARM O=C([O-])c1cc(-c2cccc(Br)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000015677215 221340499 /nfs/dbraw/zinc/34/04/99/221340499.db2.gz ZEBHHZSDMJEUKP-UHFFFAOYSA-N -1 0 394.228 4.753 50 0 GJAARM COC(=O)c1cc(C)sc1NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000017079876 221378398 /nfs/dbraw/zinc/37/83/98/221378398.db2.gz QJXJJKVVTJRYCH-UHFFFAOYSA-N -1 0 391.301 4.664 50 0 GJAARM CC(C)c1ccccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@@H](C)CC3 ZINC000065150519 222103892 /nfs/dbraw/zinc/10/38/92/222103892.db2.gz FNZJMWHPKGYPOX-LBPRGKRZSA-N -1 0 396.512 4.796 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)s2)n1 ZINC000064769344 222081754 /nfs/dbraw/zinc/08/17/54/222081754.db2.gz CQDSBEYYIFGYFK-UHFFFAOYSA-N -1 0 386.470 4.513 50 0 GJAARM Cc1ccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)cc1Cl ZINC000065323304 222123293 /nfs/dbraw/zinc/12/32/93/222123293.db2.gz QQXDURGCJFVQBF-UHFFFAOYSA-N -1 0 378.819 4.800 50 0 GJAARM COc1cc(/C=C\c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)[O-] ZINC000096765941 222425330 /nfs/dbraw/zinc/42/53/30/222425330.db2.gz CERGVHFTXOWUTO-CLTKARDFSA-N -1 0 375.833 4.592 50 0 GJAARM Cc1nn(-c2ccc(C)cc2C)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000035170900 570243692 /nfs/dbraw/zinc/24/36/92/570243692.db2.gz MFXCHWHVPARHBV-CYBMUJFWSA-N -1 0 399.903 4.821 50 0 GJAARM CSc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000049402335 570264231 /nfs/dbraw/zinc/26/42/31/570264231.db2.gz QGDYQHWUMOEFRW-UHFFFAOYSA-N -1 0 385.514 4.656 50 0 GJAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl ZINC000020626980 570273211 /nfs/dbraw/zinc/27/32/11/570273211.db2.gz ZQTDHCYUWLVMIM-UHFFFAOYSA-N -1 0 376.208 4.875 50 0 GJAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000002243709 570280171 /nfs/dbraw/zinc/28/01/71/570280171.db2.gz PTSLRPMRTOVHAB-JOCHJYFZSA-N -1 0 387.435 4.741 50 0 GJAARM O=C([O-])CCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002391704 570285643 /nfs/dbraw/zinc/28/56/43/570285643.db2.gz SGFYVVYWQGGISK-UHFFFAOYSA-N -1 0 379.456 4.512 50 0 GJAARM O=C([O-])[C@H](CC1CCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583170 570291608 /nfs/dbraw/zinc/29/16/08/570291608.db2.gz NVZVRXJTMCMDNR-NRFANRHFSA-N -1 0 379.456 4.559 50 0 GJAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2cccc(Cl)c2)c3=O)cc1 ZINC000102732890 570291767 /nfs/dbraw/zinc/29/17/67/570291767.db2.gz RVVRMLQYIHFDJC-UHFFFAOYSA-N -1 0 393.874 4.972 50 0 GJAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OCC ZINC000002976549 570321162 /nfs/dbraw/zinc/32/11/62/570321162.db2.gz WJDMYSLVPYTZOP-UHFFFAOYSA-N -1 0 390.892 4.558 50 0 GJAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1 ZINC000004859971 570349807 /nfs/dbraw/zinc/34/98/07/570349807.db2.gz AXZOVNJNIIUROP-LJQANCHMSA-N -1 0 384.863 4.581 50 0 GJAARM Cc1sc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000003864119 570352683 /nfs/dbraw/zinc/35/26/83/570352683.db2.gz HWHYSSATNZEECJ-OWSLCNJRSA-N -1 0 398.528 4.927 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004903069 570416675 /nfs/dbraw/zinc/41/66/75/570416675.db2.gz KXPUTNUJNQJNNC-MNOVXSKESA-N -1 0 399.299 4.946 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(C(C)C)cc1 ZINC000002738083 570510579 /nfs/dbraw/zinc/51/05/79/570510579.db2.gz IGDJMRCASYCMPR-IAGOWNOFSA-N -1 0 384.501 4.847 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002764762 570512604 /nfs/dbraw/zinc/51/26/04/570512604.db2.gz VDJHONBBLJSAHT-IAGOWNOFSA-N -1 0 380.469 4.793 50 0 GJAARM CC(C)(C)c1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000008566603 570534584 /nfs/dbraw/zinc/53/45/84/570534584.db2.gz WUEPIRDMPKZPGX-UHFFFAOYSA-N -1 0 389.908 4.828 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2)on1 ZINC000064845331 570565168 /nfs/dbraw/zinc/56/51/68/570565168.db2.gz ASLUVJWBSNZNQM-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM COc1ccc(-c2[nH]nc3nc(-c4cccc(Cl)c4)cc(C(=O)[O-])c32)cc1 ZINC000006748955 570567103 /nfs/dbraw/zinc/56/71/03/570567103.db2.gz CZDJBFYISURTSR-UHFFFAOYSA-N -1 0 379.803 4.652 50 0 GJAARM O=C(Nc1cccc(Cl)c1[O-])c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000225404432 570570381 /nfs/dbraw/zinc/57/03/81/570570381.db2.gz WVIMUFSOTVQEDO-UHFFFAOYSA-N -1 0 399.731 4.642 50 0 GJAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3cccc(C)c3)ccc2n1 ZINC000033010247 570622262 /nfs/dbraw/zinc/62/22/62/570622262.db2.gz MQFHEDBQDVGZBW-UHFFFAOYSA-N -1 0 391.471 4.730 50 0 GJAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004602007 570656211 /nfs/dbraw/zinc/65/62/11/570656211.db2.gz RFRYYVRXLSTESC-QFIPXVFZSA-N -1 0 389.451 4.698 50 0 GJAARM CSc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000005602643 570668158 /nfs/dbraw/zinc/66/81/58/570668158.db2.gz UWBGQQVGUHCNIZ-UHFFFAOYSA-N -1 0 392.727 4.625 50 0 GJAARM CC(C)c1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@H](C)CC4)cc1 ZINC000065150484 570711634 /nfs/dbraw/zinc/71/16/34/570711634.db2.gz SDIKHXOZBYHDHG-GFCCVEGCSA-N -1 0 396.512 4.796 50 0 GJAARM O=C([O-])c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2cc3c(cc21)OCCO3 ZINC000012941599 570730840 /nfs/dbraw/zinc/73/08/40/570730840.db2.gz GRVCIFVIWSDZBU-UHFFFAOYSA-N -1 0 391.354 4.770 50 0 GJAARM O=C([O-])CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000004645033 570777283 /nfs/dbraw/zinc/77/72/83/570777283.db2.gz CPZAAQIZPWFUCI-ABZUEELESA-N -1 0 388.467 4.674 50 0 GJAARM O=C([O-])CSCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000005945110 570807297 /nfs/dbraw/zinc/80/72/97/570807297.db2.gz MJLBECSRCVEGFJ-UHFFFAOYSA-N -1 0 390.530 4.614 50 0 GJAARM CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)c3cc(F)ccc3[O-])cc12 ZINC000005950581 570807705 /nfs/dbraw/zinc/80/77/05/570807705.db2.gz NAQWBENUIRIINO-UHFFFAOYSA-N -1 0 389.430 4.794 50 0 GJAARM Cc1ccc(C[C@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)[C@@H](C)C(=O)[O-])cc1 ZINC000004698214 570841712 /nfs/dbraw/zinc/84/17/12/570841712.db2.gz DPGYGRXEBIESJS-KTGMGEISSA-N -1 0 397.559 4.597 50 0 GJAARM Cc1ccccc1-n1ccnc1SCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000012544362 570844923 /nfs/dbraw/zinc/84/49/23/570844923.db2.gz LADIBOUNODTMPS-UHFFFAOYSA-N -1 0 398.871 4.938 50 0 GJAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000003399972 570864771 /nfs/dbraw/zinc/86/47/71/570864771.db2.gz NBIFIMBIUZZJGU-UHFFFAOYSA-N -1 0 395.349 4.573 50 0 GJAARM Cc1nc2c(-c3cccc(Br)c3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000104029771 570894869 /nfs/dbraw/zinc/89/48/69/570894869.db2.gz ZVPONNMPSSQOOJ-UHFFFAOYSA-N -1 0 394.272 4.764 50 0 GJAARM Cc1n[n-]c(=S)n1-c1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000089736194 570910608 /nfs/dbraw/zinc/91/06/08/570910608.db2.gz SGMCSQJYRCMGCV-UHFFFAOYSA-N -1 0 393.497 4.614 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)s2)n1 ZINC000033289946 570960325 /nfs/dbraw/zinc/96/03/25/570960325.db2.gz NVGHKJDEVLCVOO-UHFFFAOYSA-N -1 0 384.935 4.943 50 0 GJAARM Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)c1C ZINC000033306717 570967324 /nfs/dbraw/zinc/96/73/24/570967324.db2.gz CRXXBXCXLXQWSR-UHFFFAOYSA-N -1 0 395.937 4.826 50 0 GJAARM O=C([O-])c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000004181782 570983046 /nfs/dbraw/zinc/98/30/46/570983046.db2.gz UMXFDHSVLMOSNM-UHFFFAOYSA-N -1 0 377.425 4.518 50 0 GJAARM CN(Cc1ccccc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053367 571015193 /nfs/dbraw/zinc/01/51/93/571015193.db2.gz SVBSWBDCHWBQOI-UHFFFAOYSA-N -1 0 394.858 4.927 50 0 GJAARM Cc1nn(-c2cc(C)cc(C)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057796 571017816 /nfs/dbraw/zinc/01/78/16/571017816.db2.gz FTMHVZRGGBONOA-GOSISDBHSA-N -1 0 399.450 4.852 50 0 GJAARM O=C([O-])c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000001184484 212226915 /nfs/dbraw/zinc/22/69/15/212226915.db2.gz KTNNRJGXVBROKF-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc2ccccc2o1 ZINC000001141860 212222208 /nfs/dbraw/zinc/22/22/08/212222208.db2.gz UEOPIJQAIPZVJH-UHFFFAOYSA-N -1 0 381.240 4.572 50 0 GJAARM COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c1OC(F)F ZINC000035684971 212161121 /nfs/dbraw/zinc/16/11/21/212161121.db2.gz UHDDDTXDSNETKY-XFXZXTDPSA-N -1 0 391.395 4.922 50 0 GJAARM O=C([O-])C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000096891518 212156303 /nfs/dbraw/zinc/15/63/03/212156303.db2.gz GKHMKAOPPMSVBF-JYRVWZFOSA-N -1 0 385.803 4.658 50 0 GJAARM CCCOc1ccc(Cn2c(=O)c3sc4ncccc4c3[n-]c2=S)cc1 ZINC000101275689 209124157 /nfs/dbraw/zinc/12/41/57/209124157.db2.gz VCVSANFSPRODJM-UHFFFAOYSA-N -1 0 383.498 4.506 50 0 GJAARM CCCC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000001791748 206392282 /nfs/dbraw/zinc/39/22/82/206392282.db2.gz JGSCNFBKLFYANO-YFKPBYRVSA-N -1 0 399.057 4.540 50 0 GJAARM CCCC[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000001791749 206392392 /nfs/dbraw/zinc/39/23/92/206392392.db2.gz JGSCNFBKLFYANO-RXMQYKEDSA-N -1 0 399.057 4.540 50 0 GJAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1 ZINC000005023124 206584886 /nfs/dbraw/zinc/58/48/86/206584886.db2.gz FXMNXWJUZHQNCK-FQEVSTJZSA-N -1 0 398.890 4.835 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(F)cc1F ZINC000015107211 207047989 /nfs/dbraw/zinc/04/79/89/207047989.db2.gz HZYLAVCTAUHUIG-CYBMUJFWSA-N -1 0 385.391 4.866 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000017081216 207084959 /nfs/dbraw/zinc/08/49/59/207084959.db2.gz LXULDCFXHOSSLS-MNOVXSKESA-N -1 0 397.283 4.722 50 0 GJAARM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017077783 207082860 /nfs/dbraw/zinc/08/28/60/207082860.db2.gz YAUSYOWZHRYFRW-AWEZNQCLSA-N -1 0 380.469 4.917 50 0 GJAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3C)c2)cc1 ZINC000017078355 207083485 /nfs/dbraw/zinc/08/34/85/207083485.db2.gz WYQBSZUHYQDTME-MRXNPFEDSA-N -1 0 383.517 4.554 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccsc2)CC(=O)N3)cc1 ZINC000064797065 207811149 /nfs/dbraw/zinc/81/11/49/207811149.db2.gz SCJJTYDPKKAERC-CYBMUJFWSA-N -1 0 385.466 4.658 50 0 GJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2)cc1 ZINC000095480838 208196026 /nfs/dbraw/zinc/19/60/26/208196026.db2.gz GTWLAQMUIYJMMR-KRWDZBQOSA-N -1 0 399.859 4.648 50 0 GJAARM CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000100498465 208375720 /nfs/dbraw/zinc/37/57/20/208375720.db2.gz WBDVBOGLLDABFR-UHFFFAOYSA-N -1 0 391.254 4.676 50 0 GJAARM O=S(=O)([N-]c1nc2ccc3ccccc3c2s1)c1ccc(Cl)s1 ZINC000008864762 208699960 /nfs/dbraw/zinc/69/99/60/208699960.db2.gz XZMMZICSHVGXLM-UHFFFAOYSA-N -1 0 380.903 4.965 50 0 GJAARM Cc1ccc(C)c(COc2ccc3c(C)c(CCC(=O)[O-])c(=O)oc3c2C)c1 ZINC000002149621 220507078 /nfs/dbraw/zinc/50/70/78/220507078.db2.gz DQUPLLQJGAIJDY-UHFFFAOYSA-N -1 0 380.440 4.623 50 0 biogenic GJAARM Cc1ccc(Nc2nc(CSc3nc(CC(=O)[O-])cs3)cs2)cc1 ZINC000008727247 221052344 /nfs/dbraw/zinc/05/23/44/221052344.db2.gz VEIAFXXAHRINIS-UHFFFAOYSA-N -1 0 377.516 4.571 50 0 GJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(C)cc3)s2)c1=O ZINC000015671488 221338591 /nfs/dbraw/zinc/33/85/91/221338591.db2.gz ITPJWYHZWRLYRI-UHFFFAOYSA-N -1 0 384.505 4.555 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000257350451 209080715 /nfs/dbraw/zinc/08/07/15/209080715.db2.gz XNTYYYINMGRBQW-LNPPKKKLSA-N -1 0 388.548 4.894 50 0 GJAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)c1 ZINC000033289986 221784980 /nfs/dbraw/zinc/78/49/80/221784980.db2.gz HPXGOKKKINSRPX-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM CCCn1nccc1-c1csc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000065112612 222102615 /nfs/dbraw/zinc/10/26/15/222102615.db2.gz FAYSCGJXPPHZHX-UHFFFAOYSA-N -1 0 399.900 4.615 50 0 GJAARM Cc1cn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)s1 ZINC000065183494 222106972 /nfs/dbraw/zinc/10/69/72/222106972.db2.gz DCCOXNHEMYGKFK-UHFFFAOYSA-N -1 0 383.926 4.590 50 0 GJAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000064947297 222089432 /nfs/dbraw/zinc/08/94/32/222089432.db2.gz BBWVQLQACGIUHY-UHFFFAOYSA-N -1 0 387.480 4.552 50 0 GJAARM CCc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000100071919 222455846 /nfs/dbraw/zinc/45/58/46/222455846.db2.gz LNJPEJKRHCHQPG-UHFFFAOYSA-N -1 0 393.487 4.992 50 0 GJAARM CCCCCc1ccc(NC(=O)[C@@H](C)n2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000012814234 570229606 /nfs/dbraw/zinc/22/96/06/570229606.db2.gz QOOXJLCLHRZYBR-OAHLLOKOSA-N -1 0 395.528 4.991 50 0 GJAARM CC(C)(C)OC(=O)N[C@@H](CSCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002554996 570290711 /nfs/dbraw/zinc/29/07/11/570290711.db2.gz AIZZGGDXFGAYMR-IBGZPJMESA-N -1 0 399.512 4.510 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002754731 570298435 /nfs/dbraw/zinc/29/84/35/570298435.db2.gz KYLLGCLZUYTHTL-IRXDYDNUSA-N -1 0 378.453 4.569 50 0 GJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557461 570396312 /nfs/dbraw/zinc/39/63/12/570396312.db2.gz ZIGIXWZXXFLIRL-UHFFFAOYSA-N -1 0 389.502 4.565 50 0 GJAARM Cc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1 ZINC000005490750 570442075 /nfs/dbraw/zinc/44/20/75/570442075.db2.gz ZDIKDOHZCTUNOU-UHFFFAOYSA-N -1 0 376.359 4.838 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(C)ccc2C)cc1 ZINC000005579316 570447172 /nfs/dbraw/zinc/44/71/72/570447172.db2.gz ULUSDQZMYINHAT-UHFFFAOYSA-N -1 0 394.496 4.665 50 0 GJAARM O=C([O-])/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000226341112 570460945 /nfs/dbraw/zinc/46/09/45/570460945.db2.gz MMVFJHKYHUJQCC-SNAWJCMRSA-N -1 0 385.616 4.918 50 0 GJAARM Cc1cccc([C@H]2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)C2)c1 ZINC000064588995 570489143 /nfs/dbraw/zinc/48/91/43/570489143.db2.gz IHCNEAWYAUMHBM-KRWDZBQOSA-N -1 0 380.488 4.672 50 0 GJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccc(F)c(F)c1 ZINC000064795465 570546500 /nfs/dbraw/zinc/54/65/00/570546500.db2.gz QGPTYSGHACJIMG-GFCCVEGCSA-N -1 0 385.391 4.866 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)on1 ZINC000064845467 570565109 /nfs/dbraw/zinc/56/51/09/570565109.db2.gz FYQHNDZWXBAJNM-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccccc2C)c1C ZINC000064845780 570565392 /nfs/dbraw/zinc/56/53/92/570565392.db2.gz YSUVEBFPUSJMGO-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)[O-])c32)cc1 ZINC000006748948 570567164 /nfs/dbraw/zinc/56/71/64/570567164.db2.gz ZZDAXZNOETYQOS-UHFFFAOYSA-N -1 0 379.803 4.652 50 0 GJAARM [O-]c1c(Br)cc(Br)c(C(F)(F)F)c1Br ZINC000040456684 570603290 /nfs/dbraw/zinc/60/32/90/570603290.db2.gz UJGDTIJKYXZZNR-UHFFFAOYSA-N -1 0 398.798 4.699 50 0 GJAARM C[C@@H]1CCC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000071084642 570616551 /nfs/dbraw/zinc/61/65/51/570616551.db2.gz ZDIWXOUSOHUVGI-CMJOXMDJSA-N -1 0 379.456 4.559 50 0 GJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000006930096 570709005 /nfs/dbraw/zinc/70/90/05/570709005.db2.gz SQKHRBNUKWXAGO-UHFFFAOYSA-N -1 0 390.892 4.510 50 0 GJAARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000013477009 570755569 /nfs/dbraw/zinc/75/55/69/570755569.db2.gz AQXOFFMYUJJEMD-LDADJPATSA-N -1 0 391.404 4.886 50 0 GJAARM O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1cc(-c2ccccc2)on1 ZINC000036709493 570798417 /nfs/dbraw/zinc/79/84/17/570798417.db2.gz IYEWZPIQHITEFN-UHFFFAOYSA-N -1 0 386.411 4.523 50 0 GJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n1 ZINC000005721343 570903590 /nfs/dbraw/zinc/90/35/90/570903590.db2.gz QDCJDXWCIDDXLY-RIYZIHGNSA-N -1 0 395.362 4.610 50 0 GJAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)sc1C ZINC000033308395 570968132 /nfs/dbraw/zinc/96/81/32/570968132.db2.gz PSNPXAXJAMPHKR-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)sc1C ZINC000033308416 570968147 /nfs/dbraw/zinc/96/81/47/570968147.db2.gz YEKOEZDYWQIKEM-UHFFFAOYSA-N -1 0 394.543 4.606 50 0 GJAARM Cc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056374 571016553 /nfs/dbraw/zinc/01/65/53/571016553.db2.gz DVGLTSTVSHOWJF-AWEZNQCLSA-N -1 0 399.903 4.821 50 0 GJAARM Cc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)s1 ZINC000046056372 571016655 /nfs/dbraw/zinc/01/66/55/571016655.db2.gz DVGLTSTVSHOWJF-CQSZACIVSA-N -1 0 399.903 4.821 50 0 GJAARM Cc1cc(C)cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C(=O)[O-])c1 ZINC000000799530 212182421 /nfs/dbraw/zinc/18/24/21/212182421.db2.gz RFWOUCYBEZXBDI-KBXCAEBGSA-N -1 0 393.405 4.840 50 0 GJAARM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621924 212164634 /nfs/dbraw/zinc/16/46/34/212164634.db2.gz HIJAUEZBPWTKIV-JOCHJYFZSA-N -1 0 393.483 4.949 50 0 GJAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OC(F)F ZINC000096767467 206302260 /nfs/dbraw/zinc/30/22/60/206302260.db2.gz SVTOFJKUCDIKMA-WQLSENKSSA-N -1 0 391.395 4.922 50 0 GJAARM COc1cc(CC(=O)[O-])ccc1OCc1ccc(OCC(C)C)c(Cl)c1 ZINC000000623207 206307970 /nfs/dbraw/zinc/30/79/70/206307970.db2.gz KZJXCRKYYZZIST-UHFFFAOYSA-N -1 0 378.852 4.590 50 0 GJAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000001100099 206352536 /nfs/dbraw/zinc/35/25/36/206352536.db2.gz NPHMHCSWUARTTM-UXBLZVDNSA-N -1 0 377.234 4.525 50 0 biogenic GJAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[C@H](C)c2ccccc2)cc1Br ZINC000001427160 206380968 /nfs/dbraw/zinc/38/09/68/206380968.db2.gz NSJSFJIQHVKZSR-CJNGLKHVSA-N -1 0 390.277 4.591 50 0 GJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000001244972 206370283 /nfs/dbraw/zinc/37/02/83/206370283.db2.gz WPRGAEQMKPNKCQ-KRWDZBQOSA-N -1 0 391.254 4.536 50 0 GJAARM CCOc1ccc(Cc2n[n-]c(=S)n2-c2ccc(C)cc2C)cc1OCC ZINC000006418644 206651872 /nfs/dbraw/zinc/65/18/72/206651872.db2.gz NGFVHEJXZRHODS-UHFFFAOYSA-N -1 0 383.517 4.935 50 0 GJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)c1 ZINC000012371554 206890663 /nfs/dbraw/zinc/89/06/63/206890663.db2.gz MVHNPQGGSBECME-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015081522 207046314 /nfs/dbraw/zinc/04/63/14/207046314.db2.gz JYPUVNRTPNIZPS-OAHLLOKOSA-N -1 0 379.437 4.596 50 0 GJAARM CCCCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000017078358 207083965 /nfs/dbraw/zinc/08/39/65/207083965.db2.gz HJROGBRBUPSBIB-UHFFFAOYSA-N -1 0 383.517 4.633 50 0 GJAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(OC(F)F)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020134764 207179666 /nfs/dbraw/zinc/17/96/66/207179666.db2.gz BOHZXQDNEJVQHT-UHFFFAOYSA-N -1 0 395.365 4.900 50 0 GJAARM COc1ccccc1-n1nc(-c2cc(F)c(Cl)cc2Cl)cc1C(=O)[O-] ZINC000025781854 207305349 /nfs/dbraw/zinc/30/53/49/207305349.db2.gz WCQSKPFVOUYREI-UHFFFAOYSA-N -1 0 381.190 4.692 50 0 GJAARM O=S(=O)([N-]c1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cccs1 ZINC000026546218 207316722 /nfs/dbraw/zinc/31/67/22/207316722.db2.gz OLDZZTHYORCZAG-UHFFFAOYSA-N -1 0 397.880 4.920 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@@H](C(=O)[O-])C4)cc3)sc2c1 ZINC000085388486 208099927 /nfs/dbraw/zinc/09/99/27/208099927.db2.gz OUAZWUKQRHZQNC-HUUCEWRRSA-N -1 0 380.469 4.711 50 0 GJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2cccc(Cl)c2)cc1 ZINC000095472729 208190981 /nfs/dbraw/zinc/19/09/81/208190981.db2.gz REWBGIQEVZBAPD-KRWDZBQOSA-N -1 0 399.859 4.648 50 0 GJAARM CCc1cccc(C)c1NC(=O)C(=O)C=C([O-])c1ccc(Cl)cc1Cl ZINC000100742294 208379653 /nfs/dbraw/zinc/37/96/53/208379653.db2.gz VRZXVJNQPUDAGK-UHFFFAOYSA-N -1 0 378.255 4.645 50 0 GJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3cccc(C)c3C)s2)c1=O ZINC000101832218 208397768 /nfs/dbraw/zinc/39/77/68/208397768.db2.gz WJHULLJOWLWGEX-UHFFFAOYSA-N -1 0 398.532 4.863 50 0 GJAARM Cc1ccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)NC2=S)cc1C ZINC000220958743 208864751 /nfs/dbraw/zinc/86/47/51/208864751.db2.gz WLSDFQWFOFYZLS-OVCLIPMQSA-N -1 0 393.295 4.578 50 0 GJAARM CCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002386118 220528234 /nfs/dbraw/zinc/52/82/34/220528234.db2.gz UUXKLESQZZGPLH-NRFANRHFSA-N -1 0 381.472 4.949 50 0 GJAARM O=C([O-])CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002527170 220542240 /nfs/dbraw/zinc/54/22/40/220542240.db2.gz YYRZYEJDKCYTOM-UHFFFAOYSA-N -1 0 393.483 4.902 50 0 GJAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000011565866 221117324 /nfs/dbraw/zinc/11/73/24/221117324.db2.gz VUHARZLVFZJFOZ-UHFFFAOYSA-N -1 0 376.522 4.667 50 0 GJAARM CCOc1ccc(Oc2ccc(NCc3nc(=O)c4sccc4[n-]3)cc2)cc1 ZINC000012512704 221200480 /nfs/dbraw/zinc/20/04/80/221200480.db2.gz LDALNYALGAPQER-UHFFFAOYSA-N -1 0 393.468 4.788 50 0 GJAARM CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cc1 ZINC000012396975 221189323 /nfs/dbraw/zinc/18/93/23/221189323.db2.gz AXURTPWKASTSRA-UHFFFAOYSA-N -1 0 389.377 4.642 50 0 GJAARM Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000013087033 221260865 /nfs/dbraw/zinc/26/08/65/221260865.db2.gz DGOCKOKJMVHYDQ-XNTDXEJSSA-N -1 0 382.419 4.563 50 0 GJAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(CC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000013363518 221267293 /nfs/dbraw/zinc/26/72/93/221267293.db2.gz WOOJKHUXGNFDQJ-UHFFFAOYSA-N -1 0 387.439 4.951 50 0 GJAARM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000015923376 221351877 /nfs/dbraw/zinc/35/18/77/221351877.db2.gz OUOCWVJIQIANAH-UHFFFAOYSA-N -1 0 385.345 4.796 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)s2)n1 ZINC000033289971 221784479 /nfs/dbraw/zinc/78/44/79/221784479.db2.gz YDQUFLFEIOEDSZ-UHFFFAOYSA-N -1 0 378.544 4.906 50 0 GJAARM Cc1cc(C)nc([N-]c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)n1 ZINC000056924570 222027302 /nfs/dbraw/zinc/02/73/02/222027302.db2.gz KSEYWKHUPJPUJH-UHFFFAOYSA-N -1 0 393.394 4.565 50 0 GJAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c1 ZINC000065112494 222100813 /nfs/dbraw/zinc/10/08/13/222100813.db2.gz YHFOYGWASNGLOB-UHFFFAOYSA-N -1 0 375.519 4.610 50 0 GJAARM CC(C)c1ccccc1NC(=O)c1c([O-])c2c3c(sc2[nH]c1=O)C[C@H](C)CC3 ZINC000065150517 222103318 /nfs/dbraw/zinc/10/33/18/222103318.db2.gz FNZJMWHPKGYPOX-GFCCVEGCSA-N -1 0 396.512 4.796 50 0 GJAARM CCc1sc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000004756976 523075232 /nfs/dbraw/zinc/07/52/32/523075232.db2.gz YVTULBNNMWWZDM-UHFFFAOYSA-N -1 0 392.933 4.968 50 0 GJAARM CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)nc2c3ccccc3oc21)C(=O)[O-] ZINC000002426456 570286551 /nfs/dbraw/zinc/28/65/51/570286551.db2.gz SGYQTZNDBKRINT-GUYCJALGSA-N -1 0 375.428 4.954 50 0 GJAARM O=C([O-])c1cc(F)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582941 570291542 /nfs/dbraw/zinc/29/15/42/570291542.db2.gz WSVXSPJFKVBMET-UHFFFAOYSA-N -1 0 377.371 4.885 50 0 GJAARM O=S(=O)([N-]c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000002766102 570299509 /nfs/dbraw/zinc/29/95/09/570299509.db2.gz JSTQJPVTDZJSAA-UHFFFAOYSA-N -1 0 381.078 4.557 50 0 GJAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000003128523 570329670 /nfs/dbraw/zinc/32/96/70/570329670.db2.gz XBGKQBBGYBSQGR-UHFFFAOYSA-N -1 0 378.664 4.650 50 0 GJAARM CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000004164352 570360496 /nfs/dbraw/zinc/36/04/96/570360496.db2.gz ZMSHIFMKDNYFDC-ATLSCFEFSA-N -1 0 384.501 4.619 50 0 GJAARM C[C@@H]1C[C@H](C)CN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])C1 ZINC000004306437 570366837 /nfs/dbraw/zinc/36/68/37/570366837.db2.gz FXCLRNVVRMSWSW-OKILXGFUSA-N -1 0 386.879 4.773 50 0 GJAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)oc1ccccc12 ZINC000006316546 570377217 /nfs/dbraw/zinc/37/72/17/570377217.db2.gz PCOWJMBMURWTAT-UHFFFAOYSA-N -1 0 395.436 4.598 50 0 GJAARM Cc1noc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1C ZINC000004489125 570378345 /nfs/dbraw/zinc/37/83/45/570378345.db2.gz RFAXWVGNSRROSL-UHFFFAOYSA-N -1 0 398.029 4.856 50 0 GJAARM O=C([O-])c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@H]2c2cccs2)cc1 ZINC000035655316 570405762 /nfs/dbraw/zinc/40/57/62/570405762.db2.gz RCBRPGIKFWEBCG-KRWDZBQOSA-N -1 0 392.436 4.531 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000004788654 570405904 /nfs/dbraw/zinc/40/59/04/570405904.db2.gz VMSDSBBNXNQGRD-CVEARBPZSA-N -1 0 378.453 4.569 50 0 GJAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)CCC3CCCCC3)c2)cc1 ZINC000004833797 570409736 /nfs/dbraw/zinc/40/97/36/570409736.db2.gz OPTGITRTTQTYRB-UHFFFAOYSA-N -1 0 394.471 4.936 50 0 GJAARM COc1cc(/C=C/C(=O)[O-])c(Br)cc1OCc1ccccc1Cl ZINC000006453598 570426231 /nfs/dbraw/zinc/42/62/31/570426231.db2.gz YIXDYYZFHVGJKY-VOTSOKGWSA-N -1 0 397.652 4.788 50 0 GJAARM NN=C(C[C@@H](C(=O)[O-])c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000252598412 570453929 /nfs/dbraw/zinc/45/39/29/570453929.db2.gz CZZJOEQASHHYPX-OAQYLSRUSA-N -1 0 397.478 4.611 50 0 GJAARM Cc1ccccc1[C@H]1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)C1 ZINC000064588999 570489162 /nfs/dbraw/zinc/48/91/62/570489162.db2.gz IGUNXDNQEQHKQY-INIZCTEOSA-N -1 0 380.488 4.672 50 0 GJAARM O=C([O-])c1ccc2oc(SCC(=O)Nc3ccc(Cl)cc3Cl)nc2c1 ZINC000030953289 570501896 /nfs/dbraw/zinc/50/18/96/570501896.db2.gz GMYNAYWCNGTGCA-UHFFFAOYSA-N -1 0 397.239 4.564 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000002740378 570510576 /nfs/dbraw/zinc/51/05/76/570510576.db2.gz JNGKOQKJZPTSNE-DLBZAZTESA-N -1 0 378.453 4.569 50 0 GJAARM COc1cccc(/N=c2\oc3cc([O-])ccc3cc2-c2nc3ccccc3[nH]2)c1 ZINC000008657355 570536502 /nfs/dbraw/zinc/53/65/02/570536502.db2.gz FLZSJLZGTTZFIM-VHXPQNKSSA-N -1 0 383.407 4.923 50 0 GJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000064797524 570546922 /nfs/dbraw/zinc/54/69/22/570546922.db2.gz LWFVUEUHFZMSNT-AWEZNQCLSA-N -1 0 385.391 4.866 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)on1 ZINC000064845487 570565031 /nfs/dbraw/zinc/56/50/31/570565031.db2.gz RHIHIECPYKQDDL-UHFFFAOYSA-N -1 0 376.503 4.746 50 0 GJAARM Cc1ccc(CSc2nc3cccnc3n2Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000006751135 570569639 /nfs/dbraw/zinc/56/96/39/570569639.db2.gz JMCFEAGKJZKEMZ-UHFFFAOYSA-N -1 0 389.480 4.779 50 0 GJAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccccc2Cl)c3=O)cc1 ZINC000010338592 570569652 /nfs/dbraw/zinc/56/96/52/570569652.db2.gz PSRDYGWUKJMPEM-UHFFFAOYSA-N -1 0 393.874 4.559 50 0 GJAARM Cc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528722 570580282 /nfs/dbraw/zinc/58/02/82/570580282.db2.gz NZNJRXYPNDCAEN-JOCHJYFZSA-N -1 0 387.435 4.659 50 0 GJAARM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)c2C1 ZINC000225531211 570584589 /nfs/dbraw/zinc/58/45/89/570584589.db2.gz CBELIOVTXIMQTN-UHFFFAOYSA-N -1 0 385.316 4.518 50 0 GJAARM O=C([O-])Cc1csc(-c2ccc(Oc3ccc(Br)cc3)cc2)n1 ZINC000011860345 570588983 /nfs/dbraw/zinc/58/89/83/570588983.db2.gz ZDBLWVGSTKOMTI-UHFFFAOYSA-N -1 0 390.258 4.992 50 0 GJAARM CCCCC(=O)Nc1ccc2nc(N3C[C@H](C)C[C@H](C)C3)cc(C(=O)[O-])c2c1 ZINC000033010263 570622184 /nfs/dbraw/zinc/62/21/84/570622184.db2.gz DIIARSUAWYVUGW-GASCZTMLSA-N -1 0 383.492 4.544 50 0 GJAARM CC[C@@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000042783112 570622737 /nfs/dbraw/zinc/62/27/37/570622737.db2.gz PKAWENJHBBXUSC-INWMFGNUSA-N -1 0 397.899 4.695 50 0 GJAARM O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2ccccc21 ZINC000114537882 570649070 /nfs/dbraw/zinc/64/90/70/570649070.db2.gz NUOJTTAZVSDNDX-QFIPXVFZSA-N -1 0 399.446 4.620 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000005577172 570659524 /nfs/dbraw/zinc/65/95/24/570659524.db2.gz LHEOFGBKERIXQQ-UONOGXRCSA-N -1 0 378.881 4.601 50 0 GJAARM COc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)[O-])cc1OC ZINC000006934429 570711588 /nfs/dbraw/zinc/71/15/88/570711588.db2.gz BSNOJCUBDHBJFY-UHFFFAOYSA-N -1 0 385.460 4.901 50 0 GJAARM Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000013692318 570776446 /nfs/dbraw/zinc/77/64/46/570776446.db2.gz IBIXKFCRWXQVEU-HNNXBMFYSA-N -1 0 395.846 4.964 50 0 GJAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C#N)C1 ZINC000004664064 570812847 /nfs/dbraw/zinc/81/28/47/570812847.db2.gz KWCGJTBHOVISKH-BPLDGKMQSA-N -1 0 388.533 4.600 50 0 GJAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c([O-])[nH]c1=S ZINC000101495467 570825474 /nfs/dbraw/zinc/82/54/74/570825474.db2.gz ZKDJAPGKJRQZQR-MRXNPFEDSA-N -1 0 395.509 4.506 50 0 GJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@@H](c1ccccc1Cl)C2 ZINC000299782626 570895510 /nfs/dbraw/zinc/89/55/10/570895510.db2.gz VYBLLBQSWDTKCU-LJQANCHMSA-N -1 0 397.883 4.887 50 0 GJAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004580564 570911135 /nfs/dbraw/zinc/91/11/35/570911135.db2.gz DTHUYRKJCWKLQM-CQSZACIVSA-N -1 0 389.860 4.509 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000005441661 570947489 /nfs/dbraw/zinc/94/74/89/570947489.db2.gz DRHQHZPGHGUKBE-IBGZPJMESA-N -1 0 379.437 4.717 50 0 biogenic GJAARM Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])cc1 ZINC000004784797 571000722 /nfs/dbraw/zinc/00/07/22/571000722.db2.gz ALXNPPBJSPYRSL-DEOSSOPVSA-N -1 0 396.446 4.773 50 0 GJAARM CC[C@@H](C)[C@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000218346707 222586940 /nfs/dbraw/zinc/58/69/40/222586940.db2.gz ORXOWLQQKRYEGW-YHBQJITHSA-N -1 0 391.870 4.617 50 0 GJAARM Cc1ccsc1[C@H]1Cc2c(C(=O)[O-])c(=O)cc(C)n2-c2ccccc2S1 ZINC000299798260 222791601 /nfs/dbraw/zinc/79/16/01/222791601.db2.gz QUJRZOFPLKQYRC-QGZVFWFLSA-N -1 0 383.494 4.604 50 0 GJAARM O=C([N-]C(=O)c1c(F)cccc1Cl)OCc1ccc(Cl)cc1Cl ZINC000001037967 212208937 /nfs/dbraw/zinc/20/89/37/212208937.db2.gz DTQQJUNAVVICCX-UHFFFAOYSA-N -1 0 376.598 4.853 50 0 GJAARM Cc1c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002094757 206292171 /nfs/dbraw/zinc/29/21/71/206292171.db2.gz HLPQFZFGAZNVOH-UHFFFAOYSA-N -1 0 394.467 4.995 50 0 biogenic GJAARM O=C([O-])CCC/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000096861789 206301901 /nfs/dbraw/zinc/30/19/01/206301901.db2.gz HCCVEVXBUSBGBR-QINSGFPZSA-N -1 0 381.453 4.863 50 0 GJAARM Cc1cc(C)cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C(=O)[O-])c1 ZINC000000799527 206322564 /nfs/dbraw/zinc/32/25/64/206322564.db2.gz RFWOUCYBEZXBDI-KDOFPFPSSA-N -1 0 393.405 4.840 50 0 GJAARM Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1OC(=O)c1cccs1 ZINC000001445937 206381282 /nfs/dbraw/zinc/38/12/82/206381282.db2.gz PDFKCGJLLIGXED-UHFFFAOYSA-N -1 0 398.324 4.896 50 0 GJAARM COc1cccc(-c2coc3c2cc2c(C)c(CCC(=O)[O-])c(=O)oc2c3C)c1 ZINC000002129393 206399564 /nfs/dbraw/zinc/39/95/64/206399564.db2.gz LOUFPKWYPZGJBT-UHFFFAOYSA-N -1 0 392.407 4.849 50 0 biogenic GJAARM O=C([O-])CS[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003126302 206459096 /nfs/dbraw/zinc/45/90/96/206459096.db2.gz YGMUOBBNYXJLCS-INIZCTEOSA-N -1 0 379.275 4.581 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000004788668 206555297 /nfs/dbraw/zinc/55/52/97/206555297.db2.gz VMSDSBBNXNQGRD-HZPDHXFCSA-N -1 0 378.453 4.569 50 0 GJAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc4cc(C)cnc43)c2)cs1 ZINC000023371841 207274658 /nfs/dbraw/zinc/27/46/58/207274658.db2.gz QDEDYACRQYWWKT-UHFFFAOYSA-N -1 0 395.509 4.776 50 0 GJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000033087882 207436876 /nfs/dbraw/zinc/43/68/76/207436876.db2.gz DZCMDZAVIRVBGZ-WBAXXEDZSA-N -1 0 388.261 4.782 50 0 GJAARM O=c1[n-]c(SCc2ccccc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948511 207422874 /nfs/dbraw/zinc/42/28/74/207422874.db2.gz QYLGXIOVZIBISA-UHFFFAOYSA-N -1 0 383.523 4.797 50 0 GJAARM O=C([O-])c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)cc1Cl ZINC000072409041 208016618 /nfs/dbraw/zinc/01/66/18/208016618.db2.gz QYXKHMRGWKMIIP-UHFFFAOYSA-N -1 0 378.819 4.589 50 0 GJAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414308 208018878 /nfs/dbraw/zinc/01/88/78/208018878.db2.gz WOUYXESCHHSUNA-UHFFFAOYSA-N -1 0 390.892 4.786 50 0 GJAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc4c(cccc4Cl)[nH]3)C2)c1 ZINC000095356661 208159089 /nfs/dbraw/zinc/15/90/89/208159089.db2.gz UJKPNUOKPYKTJF-HNNXBMFYSA-N -1 0 382.847 4.539 50 0 GJAARM COc1cc(/C=C/c2nc(C(=O)[O-])c(-c3ccccc3)s2)cc(OC)c1OC ZINC000095997448 208250159 /nfs/dbraw/zinc/25/01/59/208250159.db2.gz KUPAELMDVLJVOJ-MDZDMXLPSA-N -1 0 397.452 4.705 50 0 GJAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1 ZINC000020027328 208812253 /nfs/dbraw/zinc/81/22/53/208812253.db2.gz CXSXIMGCJJPWRN-GFCCVEGCSA-N -1 0 385.769 4.631 50 0 GJAARM CC(C)C[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002389784 220530444 /nfs/dbraw/zinc/53/04/44/220530444.db2.gz QVJHCXJPZXRVPE-MRXNPFEDSA-N -1 0 381.472 4.805 50 0 GJAARM CCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1OC ZINC000003379114 220636639 /nfs/dbraw/zinc/63/66/39/220636639.db2.gz IVHOVMBWKSZIPZ-UHFFFAOYSA-N -1 0 375.471 4.573 50 0 GJAARM O=C([O-])CCC/C(=C\c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000008230205 221032281 /nfs/dbraw/zinc/03/22/81/221032281.db2.gz HCCVEVXBUSBGBR-NTCAYCPXSA-N -1 0 381.453 4.863 50 0 GJAARM CCC[C@H](CC(=O)[O-])c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O ZINC000013382645 221267940 /nfs/dbraw/zinc/26/79/40/221267940.db2.gz MXFUJXIOAUPXPT-YNEHKIRRSA-N -1 0 388.460 4.535 50 0 biogenic,in-vitro GJAARM COc1ccc(/C=C\C(=O)[O-])cc1COc1ccc(Cl)cc1Br ZINC000033293838 221785030 /nfs/dbraw/zinc/78/50/30/221785030.db2.gz GUUNKIUTGPKRQI-CLTKARDFSA-N -1 0 397.652 4.788 50 0 GJAARM COc1ccc(-c2cc(=O)n3[n-]c(-c4ccc(Br)cc4)cc3n2)cc1 ZINC000100651263 222461545 /nfs/dbraw/zinc/46/15/45/222461545.db2.gz HZABWNJRDXHKAW-UHFFFAOYSA-N -1 0 396.244 4.540 50 0 GJAARM Cc1cccc(-n2ccnc2SCc2cc(=O)oc3cc([O-])c(Cl)cc23)c1 ZINC000012544361 518190107 /nfs/dbraw/zinc/19/01/07/518190107.db2.gz FYRNBQIIBOZWCP-UHFFFAOYSA-N -1 0 398.871 4.938 50 0 GJAARM CCCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100504410 570272650 /nfs/dbraw/zinc/27/26/50/570272650.db2.gz KFGABOGITRTODV-UHFFFAOYSA-N -1 0 382.435 4.679 50 0 GJAARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c2ccccc12 ZINC000063850023 570324822 /nfs/dbraw/zinc/32/48/22/570324822.db2.gz IOEUWFLYUFBRRT-UHFFFAOYSA-N -1 0 399.516 4.515 50 0 GJAARM CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3[n-]c(=S)[nH]c1=O ZINC000008564342 570381054 /nfs/dbraw/zinc/38/10/54/570381054.db2.gz ZXQZNRYVGMYVQG-UHFFFAOYSA-N -1 0 395.509 4.714 50 0 GJAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 ZINC000004616423 570388089 /nfs/dbraw/zinc/38/80/89/570388089.db2.gz FUWGNSUZVCFJAF-UHFFFAOYSA-N -1 0 394.814 4.543 50 0 GJAARM Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c([O-])o1 ZINC000137818246 570398040 /nfs/dbraw/zinc/39/80/40/570398040.db2.gz QAGPYVBZZQRHNX-IBGZPJMESA-N -1 0 379.437 4.717 50 0 GJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(Cl)c2)C1 ZINC000033759351 570409485 /nfs/dbraw/zinc/40/94/85/570409485.db2.gz QWONPRPIDIRRSV-GDNBJRDFSA-N -1 0 378.859 4.963 50 0 GJAARM Cc1cc(C)cc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005199512 570500337 /nfs/dbraw/zinc/50/03/37/570500337.db2.gz LRIUCVQDZOCJSG-KSSFIOAISA-N -1 0 393.405 4.840 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)n2C)sc1C ZINC000064668297 570514364 /nfs/dbraw/zinc/51/43/64/570514364.db2.gz DACIJJFXNYOMAH-UHFFFAOYSA-N -1 0 395.937 4.528 50 0 GJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000064670072 570515015 /nfs/dbraw/zinc/51/50/15/570515015.db2.gz NWHPDRDKRLGBRD-UHFFFAOYSA-N -1 0 388.514 4.545 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2N[C@H](C)c2ccccc2)cc1 ZINC000064757475 570537171 /nfs/dbraw/zinc/53/71/71/570537171.db2.gz QPLBLKFDJMVFHA-MRXNPFEDSA-N -1 0 381.501 4.618 50 0 GJAARM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1cccc(Cl)c1Cl ZINC000040150884 570558516 /nfs/dbraw/zinc/55/85/16/570558516.db2.gz LTMOOBHQVCGJII-UHFFFAOYSA-N -1 0 385.297 4.918 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000064947021 570603779 /nfs/dbraw/zinc/60/37/79/570603779.db2.gz GSGGPLXISWQREB-UHFFFAOYSA-N -1 0 389.908 4.560 50 0 GJAARM CCCCC(=O)Nc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)cc(C(=O)[O-])c2c1 ZINC000033010264 570622306 /nfs/dbraw/zinc/62/23/06/570622306.db2.gz DIIARSUAWYVUGW-HUUCEWRRSA-N -1 0 383.492 4.544 50 0 GJAARM COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000033424812 570645858 /nfs/dbraw/zinc/64/58/58/570645858.db2.gz UVFHUIYCRWCFMV-GDNBJRDFSA-N -1 0 388.832 4.616 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000005577157 570659428 /nfs/dbraw/zinc/65/94/28/570659428.db2.gz LHEOFGBKERIXQQ-ZIAGYGMSSA-N -1 0 378.881 4.601 50 0 GJAARM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-])cc3)sc2c1 ZINC000012649966 570695133 /nfs/dbraw/zinc/69/51/33/570695133.db2.gz VVRPUWRAIBUXRZ-SJORKVTESA-N -1 0 392.480 4.877 50 0 GJAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1 ZINC000065098722 570695921 /nfs/dbraw/zinc/69/59/21/570695921.db2.gz GTHPISCEQJOAHZ-UHFFFAOYSA-N -1 0 389.502 4.600 50 0 GJAARM CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc21 ZINC000002497198 570726430 /nfs/dbraw/zinc/72/64/30/570726430.db2.gz DYQGVQBERRVKIM-UHFFFAOYSA-N -1 0 377.849 4.706 50 0 GJAARM CCc1cccc(CC)c1-n1c(=O)cc([O-])nc1SCc1ccc(C)cc1 ZINC000013129363 570763312 /nfs/dbraw/zinc/76/33/12/570763312.db2.gz FRWLQDJZEUZYJB-UHFFFAOYSA-N -1 0 380.513 4.664 50 0 GJAARM O=S(=O)([N-]c1ccccc1-c1ccc2ccccc2n1)c1ccc(F)cc1F ZINC000033113753 570812418 /nfs/dbraw/zinc/81/24/18/570812418.db2.gz ZIKBZUQVBQJNDL-UHFFFAOYSA-N -1 0 396.418 4.981 50 0 GJAARM O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccccn3)C12 ZINC000102752926 570862190 /nfs/dbraw/zinc/86/21/90/570862190.db2.gz CDAUPVNDJBUNPR-KPZWWZAWSA-N -1 0 393.834 4.747 50 0 GJAARM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc1 ZINC000003376956 570863820 /nfs/dbraw/zinc/86/38/20/570863820.db2.gz LGIJINWDAOIBDL-UHFFFAOYSA-N -1 0 375.396 4.866 50 0 GJAARM CCCCN1Cc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2C1 ZINC000170609150 570865526 /nfs/dbraw/zinc/86/55/26/570865526.db2.gz ZZSMWIJSWCYSOM-UHFFFAOYSA-N -1 0 398.450 4.622 50 0 GJAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc2ccccc2c1 ZINC000047048600 570939568 /nfs/dbraw/zinc/93/95/68/570939568.db2.gz MCMOVLQDKPIJRR-GFCCVEGCSA-N -1 0 375.453 4.642 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033289995 570960735 /nfs/dbraw/zinc/96/07/35/570960735.db2.gz GQZWUTVBCNJBGF-UHFFFAOYSA-N -1 0 394.543 4.688 50 0 GJAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000033307018 570967129 /nfs/dbraw/zinc/96/71/29/570967129.db2.gz BOICZLCRNDGYOR-UHFFFAOYSA-N -1 0 391.452 4.513 50 0 GJAARM Cc1cc([O-])c(C2=NCCS[C@@H](c3cccc(Cl)c3Cl)C2)c(=O)o1 ZINC000000754265 212179287 /nfs/dbraw/zinc/17/92/87/212179287.db2.gz SFSCAGQRMBODQY-CQSZACIVSA-N -1 0 384.284 4.628 50 0 GJAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(Cl)cc2)C1 ZINC000096767614 212156399 /nfs/dbraw/zinc/15/63/99/212156399.db2.gz FRJRNYLAKZNLHP-PTNGSMBKSA-N -1 0 378.859 4.963 50 0 GJAARM COC(=O)c1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000024657056 212113347 /nfs/dbraw/zinc/11/33/47/212113347.db2.gz RSZJEKJCPWVJPR-DTQAZKPQSA-N -1 0 381.453 4.878 50 0 GJAARM O=S(=O)([N-]c1ccccc1OC(F)(F)C(F)F)c1ccc2ccccc2c1 ZINC000000645779 206311620 /nfs/dbraw/zinc/31/16/20/206311620.db2.gz SVTMQJSIBRVWDM-UHFFFAOYSA-N -1 0 399.365 4.877 50 0 GJAARM CCn1c(SCC(=O)[O-])nnc1-c1sc2cc(Cl)ccc2c1Cl ZINC000000952714 206337201 /nfs/dbraw/zinc/33/72/01/206337201.db2.gz MKFYKMVUXBFHCE-UHFFFAOYSA-N -1 0 388.301 4.663 50 0 GJAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001046025 206345719 /nfs/dbraw/zinc/34/57/19/206345719.db2.gz VRNJNQKGHLQHJD-AWEZNQCLSA-N -1 0 385.304 4.944 50 0 GJAARM Cc1c(OCc2cccc3ccccc32)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002093664 206398206 /nfs/dbraw/zinc/39/82/06/206398206.db2.gz DIEFBZIBAMQSTO-UHFFFAOYSA-N -1 0 388.419 4.769 50 0 biogenic GJAARM Cc1ccc2ccccc2c1COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000002092279 206398543 /nfs/dbraw/zinc/39/85/43/206398543.db2.gz AVEOLXNIMODRHL-UHFFFAOYSA-N -1 0 388.419 4.769 50 0 biogenic GJAARM COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)[O-] ZINC000002540076 206420357 /nfs/dbraw/zinc/42/03/57/206420357.db2.gz PYFSQXIWQGECQQ-UHFFFAOYSA-N -1 0 389.407 4.754 50 0 GJAARM CC(C)c1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(C(C)C)c1O ZINC000015414451 207052118 /nfs/dbraw/zinc/05/21/18/207052118.db2.gz SUVMMINLZBWCLC-LEWJYISDSA-N -1 0 392.499 4.809 50 0 GJAARM COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCCC(=O)[O-])c1 ZINC000016684655 207075405 /nfs/dbraw/zinc/07/54/05/207075405.db2.gz HWYQBZNYKPVORB-UHFFFAOYSA-N -1 0 397.349 4.700 50 0 GJAARM COc1ccc(Cn2c(=O)c3cc(Cc4ccccc4)sc3[n-]c2=S)cc1 ZINC000017080665 207085405 /nfs/dbraw/zinc/08/54/05/207085405.db2.gz NMVZMGNMYUMXST-UHFFFAOYSA-N -1 0 394.521 4.768 50 0 GJAARM O=S(=O)([N-]c1ccccc1)c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000094992779 208150908 /nfs/dbraw/zinc/15/09/08/208150908.db2.gz QENCVVBVMFPJID-UHFFFAOYSA-N -1 0 376.437 4.809 50 0 GJAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2cccc(Cl)c2)cc1 ZINC000095472728 208191369 /nfs/dbraw/zinc/19/13/69/208191369.db2.gz REWBGIQEVZBAPD-QGZVFWFLSA-N -1 0 399.859 4.648 50 0 GJAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000096323611 208308374 /nfs/dbraw/zinc/30/83/74/208308374.db2.gz IWNCINMIJYVRPC-UHFFFAOYSA-N -1 0 388.392 4.531 50 0 GJAARM CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@H](C(=O)[O-])C1 ZINC000004651456 220741050 /nfs/dbraw/zinc/74/10/50/220741050.db2.gz DKBMKSLNFMHPCW-HUUCEWRRSA-N -1 0 390.892 4.849 50 0 GJAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000097998091 209017667 /nfs/dbraw/zinc/01/76/67/209017667.db2.gz VRNOTALTLRBDHD-KAMYIIQDSA-N -1 0 393.830 4.991 50 0 GJAARM O=c1[n-]c(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccccc1 ZINC000009304613 221077313 /nfs/dbraw/zinc/07/73/13/221077313.db2.gz ZKJAKTJAEFEOBZ-UHFFFAOYSA-N -1 0 378.284 4.767 50 0 GJAARM CC(C)(C)c1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000013351439 221265769 /nfs/dbraw/zinc/26/57/69/221265769.db2.gz IXPAAMNKAPFWDI-YBEGLDIGSA-N -1 0 382.847 4.656 50 0 GJAARM CCCCOc1ccc(NC(=O)Cc2cccc3c2cccc3[S@](=O)[O-])cc1 ZINC000013810605 221290379 /nfs/dbraw/zinc/29/03/79/221290379.db2.gz AUGAOBNENCYYDF-UHFFFAOYSA-N -1 0 397.496 4.781 50 0 GJAARM O=C([O-])C1(C[C@H]2CCCCO2)CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC000071763196 136166317 /nfs/dbraw/zinc/16/63/17/136166317.db2.gz VCHJKPQWUDDZTK-MRXNPFEDSA-N -1 0 388.895 4.519 50 0 GJAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2ccc3ccccc3n2)CC1 ZINC000082136766 136174004 /nfs/dbraw/zinc/17/40/04/136174004.db2.gz DCAQIXRVBBIXOM-UHFFFAOYSA-N -1 0 398.462 4.891 50 0 GJAARM O=C([O-])c1ccccc1Nc1ccnc(Nc2ccc(N3CCCCC3)cc2)n1 ZINC000170621794 136199165 /nfs/dbraw/zinc/19/91/65/136199165.db2.gz OGIHIOXRGNLPDX-UHFFFAOYSA-N -1 0 389.459 4.652 50 0 GJAARM CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCCC3)c([O-])n2n1 ZINC000022853003 221571892 /nfs/dbraw/zinc/57/18/92/221571892.db2.gz INFZZKISHSARFM-AWEZNQCLSA-N -1 0 397.331 4.551 50 0 GJAARM O=C([O-])c1cc(-c2cccc(OC(F)F)c2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615771 221861599 /nfs/dbraw/zinc/86/15/99/221861599.db2.gz HOXNHJCLRQJDQU-UHFFFAOYSA-N -1 0 399.328 4.502 50 0 GJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000064670210 222078365 /nfs/dbraw/zinc/07/83/65/222078365.db2.gz AJQMOFXVYAVENT-UHFFFAOYSA-N -1 0 388.514 4.626 50 0 GJAARM CCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795294 222081595 /nfs/dbraw/zinc/08/15/95/222081595.db2.gz VAWOGYRAGGGQJO-MRXNPFEDSA-N -1 0 393.464 4.986 50 0 GJAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C ZINC000064845730 222085662 /nfs/dbraw/zinc/08/56/62/222085662.db2.gz ORNFAKBVMYVVPH-UHFFFAOYSA-N -1 0 390.530 5.000 50 0 GJAARM O=C(Nc1nnc(SCc2cccs2)s1)c1ccc([O-])c(Cl)c1 ZINC000070920756 222177062 /nfs/dbraw/zinc/17/70/62/222177062.db2.gz PVHZEXJHCIOZDK-UHFFFAOYSA-N -1 0 383.907 4.503 50 0 GJAARM CCOc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c2ccccc12 ZINC000072414279 222256879 /nfs/dbraw/zinc/25/68/79/222256879.db2.gz SMOVQJMSXDTOEV-UHFFFAOYSA-N -1 0 378.453 4.588 50 0 GJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Br)c(F)c1 ZINC000095067904 222328915 /nfs/dbraw/zinc/32/89/15/222328915.db2.gz GHZUVGYDWIVMHO-UHFFFAOYSA-N -1 0 399.068 4.696 50 0 GJAARM Cc1ccc(S[C@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000000732240 570221744 /nfs/dbraw/zinc/22/17/44/570221744.db2.gz AYMBZVKWIIAWAP-MRXNPFEDSA-N -1 0 379.275 4.576 50 0 GJAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)c1 ZINC000035170932 570244112 /nfs/dbraw/zinc/24/41/12/570244112.db2.gz QOOANPUDAYXJSZ-CQSZACIVSA-N -1 0 399.903 4.767 50 0 GJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000001132373 570246288 /nfs/dbraw/zinc/24/62/88/570246288.db2.gz JZGYWFOHGGIMIF-UHFFFAOYSA-N -1 0 380.680 4.765 50 0 GJAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc21 ZINC000002172757 570276980 /nfs/dbraw/zinc/27/69/80/570276980.db2.gz PVIYOSHHCWEFGB-UHFFFAOYSA-N -1 0 385.876 4.664 50 0 GJAARM O=C([O-])[C@@H](CC1CCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002383885 570285332 /nfs/dbraw/zinc/28/53/32/570285332.db2.gz NVZVRXJTMCMDNR-OAQYLSRUSA-N -1 0 379.456 4.559 50 0 GJAARM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cc(Cl)ccc1Cl ZINC000002385479 570285410 /nfs/dbraw/zinc/28/54/10/570285410.db2.gz BWODEJGTGMVRPC-UHFFFAOYSA-N -1 0 388.169 4.952 50 0 GJAARM CCCC(CCC)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002576804 570291210 /nfs/dbraw/zinc/29/12/10/570291210.db2.gz FIHDROCXVRQYAL-UHFFFAOYSA-N -1 0 381.472 4.949 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002754730 570298423 /nfs/dbraw/zinc/29/84/23/570298423.db2.gz KYLLGCLZUYTHTL-IAGOWNOFSA-N -1 0 378.453 4.569 50 0 GJAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000023371451 570357130 /nfs/dbraw/zinc/35/71/30/570357130.db2.gz PVHBFZWFUCNKJH-UHFFFAOYSA-N -1 0 398.818 4.599 50 0 GJAARM O=C([O-])c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@@H]2c2cccs2)cc1 ZINC000035655317 570405868 /nfs/dbraw/zinc/40/58/68/570405868.db2.gz RCBRPGIKFWEBCG-QGZVFWFLSA-N -1 0 392.436 4.531 50 0 GJAARM CC(C)(CNC(=O)c1cnc2ccccc2c1O)c1ccc(Cl)c(Cl)c1 ZINC000050809764 570465514 /nfs/dbraw/zinc/46/55/14/570465514.db2.gz CFXKFICUMHKSMC-UHFFFAOYSA-N -1 0 389.282 4.543 50 0 GJAARM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)[O-])C1 ZINC000004286345 570496532 /nfs/dbraw/zinc/49/65/32/570496532.db2.gz ZSYQKSGFYKGCAP-SECBINFHSA-N -1 0 394.290 4.586 50 0 GJAARM O=S(=O)([N-]c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2c1 ZINC000002778887 570515841 /nfs/dbraw/zinc/51/58/41/570515841.db2.gz CFPUDQLCBTZQCC-UHFFFAOYSA-N -1 0 397.887 4.539 50 0 GJAARM O=C([O-])c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 ZINC000002834390 570519188 /nfs/dbraw/zinc/51/91/88/570519188.db2.gz NIYPJYLWFWTPNX-UKTHLTGXSA-N -1 0 383.812 4.597 50 0 GJAARM Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000004755718 570540196 /nfs/dbraw/zinc/54/01/96/570540196.db2.gz DQSHIIYYJQHIQM-OAHLLOKOSA-N -1 0 379.378 4.594 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cccc(F)c2)CC(=O)N3)cc1 ZINC000064797013 570547161 /nfs/dbraw/zinc/54/71/61/570547161.db2.gz DBLWPUAZXDKFKM-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM Cc1cc(=O)n2[n-]c(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2n1 ZINC000036047235 570560222 /nfs/dbraw/zinc/56/02/22/570560222.db2.gz WBBUKVGLOBILEO-UHFFFAOYSA-N -1 0 375.375 4.745 50 0 GJAARM O=C([O-])CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000036208749 570561033 /nfs/dbraw/zinc/56/10/33/570561033.db2.gz WPUNOGRJNPUUQT-UHFFFAOYSA-N -1 0 382.463 4.741 50 0 GJAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(F)cc2C)c1C ZINC000064845874 570565560 /nfs/dbraw/zinc/56/55/60/570565560.db2.gz MBYZBYOZFWOHJI-UHFFFAOYSA-N -1 0 394.493 4.885 50 0 GJAARM Cc1cc(OCc2ccc3ccccc3c2)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000005547191 570630847 /nfs/dbraw/zinc/63/08/47/570630847.db2.gz GYWCTPNEZWSDPY-UHFFFAOYSA-N -1 0 388.419 4.769 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000253498904 570732980 /nfs/dbraw/zinc/73/29/80/570732980.db2.gz CVNYHSDFZXHMMJ-RUHYDZRQSA-N -1 0 390.564 4.686 50 0 GJAARM O=C([O-])Cc1c(-c2ccc(Br)cc2)oc2c1c(=O)oc1ccccc21 ZINC000524732080 570766946 /nfs/dbraw/zinc/76/69/46/570766946.db2.gz WFSIIDOGPMKZGT-UHFFFAOYSA-N -1 0 399.196 4.596 50 0 biogenic GJAARM CC(C)Oc1ccc(Cl)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCS4)n1 ZINC000065278972 570777317 /nfs/dbraw/zinc/77/73/17/570777317.db2.gz GKMMBVJLIWJMEH-UHFFFAOYSA-N -1 0 393.921 4.526 50 0 GJAARM O=C([O-])C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl ZINC000004718145 570857079 /nfs/dbraw/zinc/85/70/79/570857079.db2.gz OOFDSNXJASCZBR-DEMYODCQSA-N -1 0 396.314 4.842 50 0 GJAARM Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Nc2ccc(C(=O)[O-])cc2)n1 ZINC000033249798 570858015 /nfs/dbraw/zinc/85/80/15/570858015.db2.gz UHTYZLOZBQHSMV-UHFFFAOYSA-N -1 0 393.834 4.528 50 0 GJAARM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3cccc(F)c3)C12 ZINC000102739438 570861489 /nfs/dbraw/zinc/86/14/89/570861489.db2.gz HFJDMGIHTIYPSS-PIGZYNQJSA-N -1 0 382.420 4.899 50 0 GJAARM C[C@]1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000318576492 570936371 /nfs/dbraw/zinc/93/63/71/570936371.db2.gz CJXLKGZDLUALHA-REWPJTCUSA-N -1 0 379.456 4.559 50 0 GJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)s2)sc1C ZINC000033290039 570960811 /nfs/dbraw/zinc/96/08/11/570960811.db2.gz VVCLRUHHIRVAQG-UHFFFAOYSA-N -1 0 382.507 4.737 50 0 GJAARM CC(C)(CC(=O)Nc1ccc(Oc2ccnc3ccccc32)c(F)c1)C(=O)[O-] ZINC000084325850 571012737 /nfs/dbraw/zinc/01/27/37/571012737.db2.gz CLSQIYUXVCFDAC-UHFFFAOYSA-N -1 0 382.391 4.606 50 0 GJAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1 ZINC000095353859 571051037 /nfs/dbraw/zinc/05/10/37/571051037.db2.gz WXAFXWUEFAOFDD-HXUWFJFHSA-N -1 0 375.424 4.665 50 0 GJAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1ccc(Cl)cc1Br ZINC000001012104 212204416 /nfs/dbraw/zinc/20/44/16/212204416.db2.gz GUUNKIUTGPKRQI-XVNBXDOJSA-N -1 0 397.652 4.788 50 0 GJAARM COC(=O)c1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000033583051 212161181 /nfs/dbraw/zinc/16/11/81/212161181.db2.gz YMZRXIBHJHGDJI-CPZHOGDASA-N -1 0 387.435 4.843 50 0 GJAARM Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3[O-])cc1CO2 ZINC000000990121 206339801 /nfs/dbraw/zinc/33/98/01/206339801.db2.gz CLKAFWBGKNKIEZ-UHFFFAOYSA-N -1 0 396.240 4.649 50 0 GJAARM CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])n2)cc1 ZINC000002091482 206398882 /nfs/dbraw/zinc/39/88/82/206398882.db2.gz VVSCFBOIOAMXIH-SJORKVTESA-N -1 0 384.501 4.758 50 0 GJAARM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004653869 206537713 /nfs/dbraw/zinc/53/77/13/206537713.db2.gz ABGMROJQDYKVHQ-ZDCBYCKXSA-N -1 0 383.532 4.833 50 0 GJAARM Cc1nc(-c2ccc(CCn3c(=O)c4ccccc4[n-]c3=S)cc2)cs1 ZINC000008280386 206743933 /nfs/dbraw/zinc/74/39/33/206743933.db2.gz ZNGJBGJTJNBOIY-UHFFFAOYSA-N -1 0 379.510 4.734 50 0 GJAARM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(F)cc1 ZINC000025207008 207301466 /nfs/dbraw/zinc/30/14/66/207301466.db2.gz VZFBUFPVOQCRNZ-SNVBAGLBSA-N -1 0 390.625 4.983 50 0 GJAARM Cc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000044198368 207634275 /nfs/dbraw/zinc/63/42/75/207634275.db2.gz KOLKKDFRPXLKCC-JOCHJYFZSA-N -1 0 387.435 4.659 50 0 GJAARM O=C([O-])[C@H]1CCC=CCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481808 208033332 /nfs/dbraw/zinc/03/33/32/208033332.db2.gz BRHLMAPSYHOIMG-RBBKRZOGSA-N -1 0 391.467 4.725 50 0 GJAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000000732238 220456147 /nfs/dbraw/zinc/45/61/47/220456147.db2.gz AYMBZVKWIIAWAP-INIZCTEOSA-N -1 0 379.275 4.576 50 0 GJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000005631341 220888401 /nfs/dbraw/zinc/88/84/01/220888401.db2.gz DBKJUQTWUYLUEB-GHMZBOCLSA-N -1 0 397.283 4.722 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cnc(C3CC3)o2)ccc1C ZINC000008615082 221046921 /nfs/dbraw/zinc/04/69/21/221046921.db2.gz FPNMYFUBTQHWTL-UHFFFAOYSA-N -1 0 398.484 4.727 50 0 GJAARM COCc1c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)sc2cccc(F)c21 ZINC000012992942 221254285 /nfs/dbraw/zinc/25/42/85/221254285.db2.gz JXEUAPBGLXVGJO-JXMROGBWSA-N -1 0 385.416 4.537 50 0 GJAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(Cl)cc4)cc(C(=O)[O-])c32)c1 ZINC000013363574 221266672 /nfs/dbraw/zinc/26/66/72/221266672.db2.gz YMMUZONWTDFVKC-UHFFFAOYSA-N -1 0 379.803 4.652 50 0 GJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1O ZINC000015082131 221333098 /nfs/dbraw/zinc/33/30/98/221333098.db2.gz WQMJEICGMAABLJ-ZDUSSCGKSA-N -1 0 395.436 4.951 50 0 GJAARM COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 ZINC000017196443 221381336 /nfs/dbraw/zinc/38/13/36/221381336.db2.gz AWLARDCPBBJEDU-BOPFTXTBSA-N -1 0 393.493 4.877 50 0 GJAARM Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000065010395 222094485 /nfs/dbraw/zinc/09/44/85/222094485.db2.gz HTLZFUSXDWBOCK-UHFFFAOYSA-N -1 0 397.481 4.574 50 0 GJAARM CC(C)c1cccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)C[C@@H](C)CC4)c1 ZINC000065150513 222104125 /nfs/dbraw/zinc/10/41/25/222104125.db2.gz ZWNOXLSPPAPTGT-LBPRGKRZSA-N -1 0 396.512 4.796 50 0 GJAARM COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c1 ZINC000064795951 222081523 /nfs/dbraw/zinc/08/15/23/222081523.db2.gz IXPYRBJMMXRNRS-INIZCTEOSA-N -1 0 393.464 4.904 50 0 GJAARM CC(C)c1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)n1 ZINC000064769448 222082355 /nfs/dbraw/zinc/08/23/55/222082355.db2.gz SBYCTKZZDAVINJ-UHFFFAOYSA-N -1 0 382.507 4.935 50 0 GJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccccc1F ZINC000064797548 222082591 /nfs/dbraw/zinc/08/25/91/222082591.db2.gz KEBRRCWOIMEQFM-ZDUSSCGKSA-N -1 0 385.391 4.866 50 0 GJAARM CCn1c2ccc(C(=O)[O-])cc2nc1/C(Cl)=C\c1cc(OC)cc(OC)c1 ZINC000096792066 222424652 /nfs/dbraw/zinc/42/46/52/222424652.db2.gz FBSUUYYGWZKKPB-CXUHLZMHSA-N -1 0 386.835 4.509 50 0 GJAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000253531398 524121633 /nfs/dbraw/zinc/12/16/33/524121633.db2.gz CVNYHSDFZXHMMJ-YUWXQGNLSA-N -1 0 390.564 4.686 50 0 GJAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000011565868 570229343 /nfs/dbraw/zinc/22/93/43/570229343.db2.gz HKOJVDBKGMMPCG-UHFFFAOYSA-N -1 0 376.522 4.667 50 0 GJAARM CC(C)C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)[O-] ZINC000114592636 570273839 /nfs/dbraw/zinc/27/38/39/570273839.db2.gz QSNYPRXHBQZYBM-INIZCTEOSA-N -1 0 381.472 4.662 50 0 GJAARM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]c1nc2ccccc2nc1Cl ZINC000002241580 570280114 /nfs/dbraw/zinc/28/01/14/570280114.db2.gz MOECWMHKSICLRP-UHFFFAOYSA-N -1 0 389.864 4.776 50 0 GJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)c(Cl)c1Cl ZINC000002853961 570309479 /nfs/dbraw/zinc/30/94/79/570309479.db2.gz DAZOXPYPIVVTMR-UHFFFAOYSA-N -1 0 378.302 4.525 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1-c1ccno1 ZINC000035479795 570367727 /nfs/dbraw/zinc/36/77/27/570367727.db2.gz WFTXQRHYERLLGJ-UHFFFAOYSA-N -1 0 386.857 4.613 50 0 GJAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000035511002 570388006 /nfs/dbraw/zinc/38/80/06/570388006.db2.gz KKSDVMYYYOPRAH-IBGZPJMESA-N -1 0 386.451 4.631 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000035510946 570388009 /nfs/dbraw/zinc/38/80/09/570388009.db2.gz IUNAUJFIRDNDEI-UHFFFAOYSA-N -1 0 388.467 4.972 50 0 GJAARM COc1ccc(OC)c(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)[O-])c1 ZINC000005023147 570400130 /nfs/dbraw/zinc/40/01/30/570400130.db2.gz OFMNEBRMYJOBDB-UHFFFAOYSA-N -1 0 384.457 4.506 50 0 GJAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000005059909 570408576 /nfs/dbraw/zinc/40/85/76/570408576.db2.gz NWCBHHXYVNZBOJ-UHFFFAOYSA-N -1 0 392.889 4.687 50 0 GJAARM O=C([O-])C[C@H](CC(=O)N(Cc1ccsc1)Cc1ccco1)c1cccs1 ZINC000090607332 570413768 /nfs/dbraw/zinc/41/37/68/570413768.db2.gz LZMDVBVWSGBPPG-HNNXBMFYSA-N -1 0 389.498 4.580 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000005126511 570430111 /nfs/dbraw/zinc/43/01/11/570430111.db2.gz XZVJWQOWGPKPOJ-CVEARBPZSA-N -1 0 388.464 4.643 50 0 aggregator GJAARM CCc1cc(-c2nn(C)c(C(F)(F)F)c2Oc2ccccc2)c(O)cc1O ZINC000005477197 570441173 /nfs/dbraw/zinc/44/11/73/570441173.db2.gz PYXJMTXNSGAKAN-UHFFFAOYSA-N -1 0 378.350 4.872 50 0 GJAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)cs1 ZINC000006587088 570484375 /nfs/dbraw/zinc/48/43/75/570484375.db2.gz JVXZDOMJBLCGRT-UHFFFAOYSA-N -1 0 398.431 4.938 50 0 GJAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1ccc(-c2ccccc2)cc1 ZINC000007157470 570501276 /nfs/dbraw/zinc/50/12/76/570501276.db2.gz YVEFWDKZSBDOOT-XMHGGMMESA-N -1 0 394.430 4.706 50 0 GJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000064670040 570515207 /nfs/dbraw/zinc/51/52/07/570515207.db2.gz BWDZIJGNBGSGGV-UHFFFAOYSA-N -1 0 388.514 4.545 50 0 GJAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2N[C@@H](C)c2ccccc2)cc1 ZINC000064757472 570535499 /nfs/dbraw/zinc/53/54/99/570535499.db2.gz QPLBLKFDJMVFHA-INIZCTEOSA-N -1 0 381.501 4.618 50 0 GJAARM O=C([O-])CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000070915563 570596341 /nfs/dbraw/zinc/59/63/41/570596341.db2.gz BLEWZDAVWPLFAA-MRXNPFEDSA-N -1 0 379.456 4.512 50 0 GJAARM CCCN(CCC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccccc3)ccc2n1 ZINC000033010217 570622330 /nfs/dbraw/zinc/62/23/30/570622330.db2.gz YXXQNSFOHQEUCZ-UHFFFAOYSA-N -1 0 391.471 4.812 50 0 GJAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000045796259 570649105 /nfs/dbraw/zinc/64/91/05/570649105.db2.gz RWGLUBLPUIVSPT-DYESRHJHSA-N -1 0 392.842 4.770 50 0 GJAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000005577171 570659377 /nfs/dbraw/zinc/65/93/77/570659377.db2.gz LHEOFGBKERIXQQ-KBPBESRZSA-N -1 0 378.881 4.601 50 0 GJAARM O=S(=O)([N-]c1ccc(-c2cc3cc(F)ccc3[nH]2)cc1)c1ccccc1F ZINC000033025846 570660662 /nfs/dbraw/zinc/66/06/62/570660662.db2.gz MZIMABWGFBJSLW-UHFFFAOYSA-N -1 0 384.407 4.914 50 0 GJAARM Cc1cccc(OC(=O)C2[C@@H](c3ccccc3)C(C(=O)[O-])[C@@H]2c2ccccc2)c1 ZINC000000885231 570704792 /nfs/dbraw/zinc/70/47/92/570704792.db2.gz DXSMLZYGZQMMFC-SIYKVTCMSA-N -1 0 386.447 4.799 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSC34CC5CC(CC(C5)C3)C4)c12 ZINC000012983454 570736830 /nfs/dbraw/zinc/73/68/30/570736830.db2.gz USIWXSAUVIZITQ-UHFFFAOYSA-N -1 0 389.542 4.798 50 0 GJAARM Cc1nnc(SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)[O-])[nH]1 ZINC000006588287 570748774 /nfs/dbraw/zinc/74/87/74/570748774.db2.gz XZIXQJWMYHVUKC-AUWJEWJLSA-N -1 0 396.255 4.898 50 0 GJAARM CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000011613987 570796150 /nfs/dbraw/zinc/79/61/50/570796150.db2.gz QRFMSONCONDJLQ-UHFFFAOYSA-N -1 0 399.468 4.518 50 0 GJAARM CC(=O)N(c1nc(COC(=O)c2ccc(O)cc2)cs1)c1ccc(C)cc1C ZINC000005693768 570813210 /nfs/dbraw/zinc/81/32/10/570813210.db2.gz NTGWELFLBJDCJK-UHFFFAOYSA-N -1 0 396.468 4.507 50 0 GJAARM O=C(c1cc(Cl)c2nc3cc(Cl)ccc3n2c1)c1cc(F)ccc1[O-] ZINC000012546234 570847405 /nfs/dbraw/zinc/84/74/05/570847405.db2.gz HCEBKCMTXDYZIM-UHFFFAOYSA-N -1 0 375.186 4.870 50 0 GJAARM CCc1ccccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000102621807 570854511 /nfs/dbraw/zinc/85/45/11/570854511.db2.gz SUJKHXHZEAYRHS-UHFFFAOYSA-N -1 0 384.435 4.511 50 0 GJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@H](c1ccccc1Cl)C2 ZINC000299782598 570895554 /nfs/dbraw/zinc/89/55/54/570895554.db2.gz VYBLLBQSWDTKCU-IBGZPJMESA-N -1 0 397.883 4.887 50 0 GJAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000004580566 570911143 /nfs/dbraw/zinc/91/11/43/570911143.db2.gz DTHUYRKJCWKLQM-AWEZNQCLSA-N -1 0 389.860 4.509 50 0 GJAARM C[C@]1(C(=O)[O-])CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000135550186 570936616 /nfs/dbraw/zinc/93/66/16/570936616.db2.gz CCLBVWVASLVDGH-OFNKIYASSA-N -1 0 379.456 4.559 50 0 GJAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccc2ccccc2c1 ZINC000047048598 570939854 /nfs/dbraw/zinc/93/98/54/570939854.db2.gz MCMOVLQDKPIJRR-LBPRGKRZSA-N -1 0 375.453 4.642 50 0 GJAARM CCCC[C@@](CCC(=O)[O-])(C(=O)OCC)c1csc(Nc2ccccc2)n1 ZINC000002196648 570996725 /nfs/dbraw/zinc/99/67/25/570996725.db2.gz BQBLDUOCIMPGKJ-FQEVSTJZSA-N -1 0 390.505 4.743 50 0 GJAARM CC(C)CN(CC(C)C)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053491 571015131 /nfs/dbraw/zinc/01/51/31/571015131.db2.gz FDSIHDKGXHBNBT-UHFFFAOYSA-N -1 0 386.467 4.895 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)s1 ZINC000046056346 571016053 /nfs/dbraw/zinc/01/60/53/571016053.db2.gz DJMKFRYRCORDNO-KRWDZBQOSA-N -1 0 393.512 4.730 50 0 GJAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)cc1 ZINC000046057601 571017793 /nfs/dbraw/zinc/01/77/93/571017793.db2.gz HVKKHOOMSSWSGI-GOSISDBHSA-N -1 0 399.450 4.798 50 0 GJAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)cc1 ZINC000046057595 571017888 /nfs/dbraw/zinc/01/78/88/571017888.db2.gz FKCLWTKIVVPABB-CQSZACIVSA-N -1 0 399.903 4.767 50 0 GJAARM O=C1CCCc2oc3c(cc([N-]S(=O)(=O)c4cccs4)c4ccccc34)c21 ZINC000000944467 212198784 /nfs/dbraw/zinc/19/87/84/212198784.db2.gz WYTHXFLNFYIVKD-UHFFFAOYSA-N -1 0 397.477 4.967 50 0 GJAARM Cc1c(O[C@@H](C(=O)[O-])c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000622186 212142189 /nfs/dbraw/zinc/14/21/89/212142189.db2.gz BGEVOTWGOHBDHG-HSZRJFAPSA-N -1 0 386.403 4.973 50 0 biogenic GJAARM CC(=O)c1sc(-c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000001027861 206342821 /nfs/dbraw/zinc/34/28/21/206342821.db2.gz AWAKUMXVLZHKOB-UHFFFAOYSA-N -1 0 375.446 4.558 50 0 GJAARM O=S(=O)([N-]c1ccc2oc3c(c2c1)CCCC3)c1cccc2cccnc21 ZINC000001121873 206354673 /nfs/dbraw/zinc/35/46/73/206354673.db2.gz OAPNKVYJKZKSPI-UHFFFAOYSA-N -1 0 378.453 4.661 50 0 GJAARM Cc1c2ccc(OCc3ccc4ccccc4c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000002094829 206398123 /nfs/dbraw/zinc/39/81/23/206398123.db2.gz IEALTFBHECCPLV-UHFFFAOYSA-N -1 0 388.419 4.851 50 0 biogenic GJAARM Cc1c(C(=O)[O-])sc2[nH]c(C(=Cc3ccsc3)c3ccccc3)nc(=O)c12 ZINC000007333429 206709233 /nfs/dbraw/zinc/70/92/33/206709233.db2.gz CZBACBCLESASCP-ZROIWOOFSA-N -1 0 394.477 4.642 50 0 GJAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3ccc(F)c(Cl)c3)c12 ZINC000012978210 206958803 /nfs/dbraw/zinc/95/88/03/206958803.db2.gz YYWJWXPIPRMIDV-UHFFFAOYSA-N -1 0 383.853 4.681 50 0 GJAARM CCc1cccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)c1 ZINC000046057394 207670375 /nfs/dbraw/zinc/67/03/75/207670375.db2.gz QYOUBIFREGVVMJ-SFHVURJKSA-N -1 0 399.450 4.798 50 0 GJAARM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414293 208019453 /nfs/dbraw/zinc/01/94/53/208019453.db2.gz QGFNJSJSFDSUFH-UHFFFAOYSA-N -1 0 384.501 4.732 50 0 GJAARM Cc1[n-]n2c(nc(CSc3ccc(C)cc3)cc2=O)c1-c1ccc(F)cc1 ZINC000101173416 208387254 /nfs/dbraw/zinc/38/72/54/208387254.db2.gz BASBJZGTCWVRQQ-UHFFFAOYSA-N -1 0 379.460 4.738 50 0 GJAARM CC[C@H](C)c1ccc([C@@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000101660245 208396690 /nfs/dbraw/zinc/39/66/90/208396690.db2.gz PJPSDOLCUOOKLE-SJCJKPOMSA-N -1 0 398.466 4.827 50 0 GJAARM CC(=O)Nc1ccc(SCc2c(C(=O)[O-])sc3cccc(F)c32)cc1 ZINC000012852184 208777008 /nfs/dbraw/zinc/77/70/08/208777008.db2.gz CAFFOIDSLUOEFV-UHFFFAOYSA-N -1 0 375.446 4.989 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000002764761 220562263 /nfs/dbraw/zinc/56/22/63/220562263.db2.gz VDJHONBBLJSAHT-DLBZAZTESA-N -1 0 380.469 4.793 50 0 GJAARM CCCCc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000095950228 209006512 /nfs/dbraw/zinc/00/65/12/209006512.db2.gz CWGKCSQRFMWKHX-UHFFFAOYSA-N -1 0 398.322 4.601 50 0 GJAARM Cc1cccc2c(C)nc([N-]c3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc12 ZINC000009350967 221078980 /nfs/dbraw/zinc/07/89/80/221078980.db2.gz VBCHYIJFTINFQM-QGZVFWFLSA-N -1 0 395.466 4.693 50 0 GJAARM Cc1nn(-c2ccc(C)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057514 221970839 /nfs/dbraw/zinc/97/08/39/221970839.db2.gz GMQBDFCZYKFORL-QGZVFWFLSA-N -1 0 385.423 4.544 50 0 GJAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc(C(F)(F)F)c1 ZINC000047932209 570216132 /nfs/dbraw/zinc/21/61/32/570216132.db2.gz GUPFOODUBMMJFJ-SECBINFHSA-N -1 0 393.390 4.508 50 0 GJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F ZINC000098072814 570263236 /nfs/dbraw/zinc/26/32/36/570263236.db2.gz YYAFXLRSDZYTHE-UHFFFAOYSA-N -1 0 399.068 4.696 50 0 GJAARM CN(C[C@H]1CC[C@H](C(=O)[O-])CC1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100048239 570265440 /nfs/dbraw/zinc/26/54/40/570265440.db2.gz RUPNBZQCCALWQZ-CALCHBBNSA-N -1 0 393.483 4.758 50 0 GJAARM COc1cccc(C(=O)[O-])c1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002582963 570291530 /nfs/dbraw/zinc/29/15/30/570291530.db2.gz XOORNHZYVFASIG-UHFFFAOYSA-N -1 0 389.407 4.754 50 0 GJAARM [O-]c1cn(-c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 ZINC000215850568 570292547 /nfs/dbraw/zinc/29/25/47/570292547.db2.gz NKPSUGDJZJPEQC-UHFFFAOYSA-N -1 0 394.066 4.770 50 0 GJAARM Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C(=O)[O-])c2ccccc2)cc1Cl ZINC000004708856 570396355 /nfs/dbraw/zinc/39/63/55/570396355.db2.gz OJGKTLMXHSFTAM-JOCHJYFZSA-N -1 0 392.842 4.658 50 0 GJAARM Cc1c([O-])ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc12 ZINC000004755489 570403378 /nfs/dbraw/zinc/40/33/78/570403378.db2.gz JEFLLNVGLPRDDZ-UHFFFAOYSA-N -1 0 386.329 4.679 50 0 GJAARM CSc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1 ZINC000253396013 570420306 /nfs/dbraw/zinc/42/03/06/570420306.db2.gz ASRILLBJZIBZGO-SFHVURJKSA-N -1 0 390.460 4.786 50 0 GJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C)cc2)CC(=O)N3)cc1 ZINC000064796678 570546894 /nfs/dbraw/zinc/54/68/94/570546894.db2.gz IXWLEAPPIGPESB-INIZCTEOSA-N -1 0 393.464 4.904 50 0 GJAARM C[C@@H]1CC(=O)c2cnc([N-]c3nc4ccccc4c(-c4ccccc4)n3)nc2C1 ZINC000009111328 570549908 /nfs/dbraw/zinc/54/99/08/570549908.db2.gz KRDMDJNKTFOOBC-AWEZNQCLSA-N -1 0 381.439 4.595 50 0 GJAARM Cc1cccc2c1Oc1nc(-c3ccc(Cl)cc3)nc(SCC(=O)[O-])c1C2 ZINC000006738956 570561362 /nfs/dbraw/zinc/56/13/62/570561362.db2.gz APEWGTVSYLKDTQ-UHFFFAOYSA-N -1 0 398.871 4.979 50 0 GJAARM O=C([O-])CCSc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000005555245 570633410 /nfs/dbraw/zinc/63/34/10/570633410.db2.gz VVVDCPBEDOBOQV-UHFFFAOYSA-N -1 0 395.303 4.688 50 0 GJAARM Cc1ccccc1OC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@H]1c1ccccc1 ZINC000004832474 570633469 /nfs/dbraw/zinc/63/34/69/570633469.db2.gz WUQLIJJPZVMJTA-KBFCKHRLSA-N -1 0 386.447 4.799 50 0 GJAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1F ZINC000065004459 570644529 /nfs/dbraw/zinc/64/45/29/570644529.db2.gz KOXSZZFCKBKTAT-UHFFFAOYSA-N -1 0 392.477 4.919 50 0 GJAARM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004006 570644644 /nfs/dbraw/zinc/64/46/44/570644644.db2.gz HFFZTHNVPRZEAA-UHFFFAOYSA-N -1 0 380.878 4.735 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1-c1ccc(CC(C)C)cc1 ZINC000004651909 570806811 /nfs/dbraw/zinc/80/68/11/570806811.db2.gz WCAYKVUDNCORBO-QZTJIDSGSA-N -1 0 398.528 4.923 50 0 GJAARM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccc2o1 ZINC000012544772 570846412 /nfs/dbraw/zinc/84/64/12/570846412.db2.gz JPDLFJIOOLUZFN-UHFFFAOYSA-N -1 0 390.770 4.609 50 0 GJAARM O=C([O-])CC[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000217020458 570894823 /nfs/dbraw/zinc/89/48/23/570894823.db2.gz WBEPFERYCYWNOI-OPAMFIHVSA-N -1 0 393.483 4.949 50 0 GJAARM O=C(c1cccs1)c1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12 ZINC000012648374 570935363 /nfs/dbraw/zinc/93/53/63/570935363.db2.gz BKKLMXBSYVMEAC-UHFFFAOYSA-N -1 0 398.443 4.717 50 0 GJAARM O=C([O-])c1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000020144986 570942014 /nfs/dbraw/zinc/94/20/14/570942014.db2.gz IWROQFUNHHAIKC-UHFFFAOYSA-N -1 0 381.815 4.870 50 0 GJAARM Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000005441746 570947300 /nfs/dbraw/zinc/94/73/00/570947300.db2.gz DRHQHZPGHGUKBE-LJQANCHMSA-N -1 0 379.437 4.717 50 0 biogenic GJAARM Cc1nn(-c2ccc(C)c(C)c2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046056787 571016533 /nfs/dbraw/zinc/01/65/33/571016533.db2.gz GPBCHXWRGKCNCC-GOSISDBHSA-N -1 0 399.450 4.852 50 0 GJAARM O=C([O-])c1ccccc1NC(=O)CSC1c2ccccc2Oc2ccccc21 ZINC000001109614 212217998 /nfs/dbraw/zinc/21/79/98/212217998.db2.gz DBWHPNZJESBDBN-UHFFFAOYSA-N -1 0 391.448 4.952 50 0 GJAARM CCc1cc2c(cc1[O-])oc(C(C)(C)C)c(-c1nc3ccccc3n1C)c2=O ZINC000005799774 212148513 /nfs/dbraw/zinc/14/85/13/212148513.db2.gz IFRBLXNOFIEPOF-UHFFFAOYSA-N -1 0 376.456 4.912 50 0 GJAARM CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])n2)cc1 ZINC000004614553 206533875 /nfs/dbraw/zinc/53/38/75/206533875.db2.gz SYMHCTPDXDKNHO-JFRXWTBNSA-N -1 0 398.528 4.694 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])nc1-c1ccc(F)cc1 ZINC000005126517 206593210 /nfs/dbraw/zinc/59/32/10/206593210.db2.gz XZVJWQOWGPKPOJ-HZPDHXFCSA-N -1 0 388.464 4.643 50 0 aggregator GJAARM Cc1nc2c(-c3ccc(Cl)cc3)c(Cc3ccccc3)[n-]n2c(=O)c1Cl ZINC000017838046 207090991 /nfs/dbraw/zinc/09/09/91/207090991.db2.gz MRQFGSCMTVLZFX-UHFFFAOYSA-N -1 0 384.266 4.896 50 0 GJAARM COc1ccc([C@@H](NCc2ccccc2)[P@](=O)([O-])CCc2ccccc2)cc1 ZINC000020567234 207202596 /nfs/dbraw/zinc/20/25/96/207202596.db2.gz LDEIBDPASBMKHI-QHCPKHFHSA-N -1 0 395.439 4.997 50 0 GJAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000032097423 207393040 /nfs/dbraw/zinc/39/30/40/207393040.db2.gz TYYXPBOKKGBITO-UHFFFAOYSA-N -1 0 395.484 4.783 50 0 GJAARM Cc1ccc(F)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1Cl ZINC000095374527 208169901 /nfs/dbraw/zinc/16/99/01/208169901.db2.gz JUWBXRPBVHIPLH-HNNXBMFYSA-N -1 0 375.827 4.506 50 0 GJAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000096323581 208306440 /nfs/dbraw/zinc/30/64/40/208306440.db2.gz BWKJOWGBBDDZTN-UHFFFAOYSA-N -1 0 388.392 4.531 50 0 GJAARM COc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc(OC)c1OC ZINC000005131364 220832975 /nfs/dbraw/zinc/83/29/75/220832975.db2.gz RELWKPNUSGLWEZ-GXDHUFHOSA-N -1 0 399.468 4.728 50 0 GJAARM COc1cc(OC)c(OC)cc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000005131387 220833697 /nfs/dbraw/zinc/83/36/97/220833697.db2.gz NAYPUNSHGPNWDK-JLHYYAGUSA-N -1 0 399.468 4.728 50 0 GJAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000006496864 220938199 /nfs/dbraw/zinc/93/81/99/220938199.db2.gz PBICQJRDOWGZEX-UHFFFAOYSA-N -1 0 388.803 4.683 50 0 GJAARM CC[C@H](C)[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000252540069 209037453 /nfs/dbraw/zinc/03/74/53/209037453.db2.gz ORXOWLQQKRYEGW-CYFNAFFESA-N -1 0 391.870 4.617 50 0 GJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 ZINC000299785454 209088623 /nfs/dbraw/zinc/08/86/23/209088623.db2.gz REKQZLZAIXIIRQ-LJQANCHMSA-N -1 0 399.418 4.512 50 0 GJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000011994445 221140601 /nfs/dbraw/zinc/14/06/01/221140601.db2.gz SYHZJASQODJPCM-RBUKOAKNSA-N -1 0 387.863 4.640 50 0 GJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000012420593 221191609 /nfs/dbraw/zinc/19/16/09/221191609.db2.gz QSBVUFURAAUXRB-HNNXBMFYSA-N -1 0 397.427 4.735 50 0 GJAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000012396195 221188833 /nfs/dbraw/zinc/18/88/33/221188833.db2.gz XEHSDKNMXLSTMS-UHFFFAOYSA-N -1 0 399.328 4.526 50 0 GJAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(C)cc3C)s2)c1=O ZINC000015671483 221338964 /nfs/dbraw/zinc/33/89/64/221338964.db2.gz ASJBDKOYSSAARO-UHFFFAOYSA-N -1 0 398.532 4.863 50 0 GJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC(C)C)cc1C ZINC000017207921 221380699 /nfs/dbraw/zinc/38/06/99/221380699.db2.gz NFIAXNIOGOQVRK-UHFFFAOYSA-N -1 0 398.532 4.505 50 0 GJAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000017077782 221377585 /nfs/dbraw/zinc/37/75/85/221377585.db2.gz YAUSYOWZHRYFRW-CQSZACIVSA-N -1 0 380.469 4.917 50 0 GJAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000064670081 222078552 /nfs/dbraw/zinc/07/85/52/222078552.db2.gz BLMBMPIDYLBYFP-UHFFFAOYSA-N -1 0 388.514 4.545 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)n1 ZINC000064769314 222082022 /nfs/dbraw/zinc/08/20/22/222082022.db2.gz JDOGDZKVHVPXIQ-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000064797527 222082451 /nfs/dbraw/zinc/08/24/51/222082451.db2.gz LWFVUEUHFZMSNT-CQSZACIVSA-N -1 0 385.391 4.866 50 0 GJAARM CCC(CC)(CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)[O-] ZINC000065975825 222134680 /nfs/dbraw/zinc/13/46/80/222134680.db2.gz KZCVOLIROGNKQE-UHFFFAOYSA-N -1 0 390.867 4.534 50 0 GJAARM [O-]c1c(Br)cc(Br)cc1-c1ccn(-c2ccccc2)n1 ZINC000068675290 222171380 /nfs/dbraw/zinc/17/13/80/222171380.db2.gz DYZMRLKESFNYJF-UHFFFAOYSA-N -1 0 394.066 4.770 50 0 GJAARM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481802 222266202 /nfs/dbraw/zinc/26/62/02/222266202.db2.gz WWGXOZWLVAOLTC-IFMALSPDSA-N -1 0 393.483 4.949 50 0 GJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1 ZINC000072333126 222230605 /nfs/dbraw/zinc/23/06/05/222230605.db2.gz DQIBILNNBBHBNI-UHFFFAOYSA-N -1 0 379.803 4.652 50 0 GJAARM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc(Cl)c1OCC(C)C ZINC000012851759 570266134 /nfs/dbraw/zinc/26/61/34/570266134.db2.gz PNEDXOYILWEFEX-UHFFFAOYSA-N -1 0 391.851 4.642 50 0 GJAARM CCCc1c(OCCCSc2ccccc2C(=O)[O-])ccc(C(C)=O)c1O ZINC000039180211 570271433 /nfs/dbraw/zinc/27/14/33/570271433.db2.gz PLJVMFXPBAWKJH-UHFFFAOYSA-N -1 0 388.485 4.807 50 0 GJAARM CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000002184849 570277756 /nfs/dbraw/zinc/27/77/56/570277756.db2.gz LZZODXCQLFJCOZ-UHFFFAOYSA-N -1 0 393.486 4.560 50 0 GJAARM O=S(=O)(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1 ZINC000002483863 570288278 /nfs/dbraw/zinc/28/82/78/570288278.db2.gz BHPGTOWNMQBRJP-UHFFFAOYSA-N -1 0 384.844 4.949 50 0 GJAARM Cc1cc(OCc2n[n-]c(=S)n2-c2ccccc2)cc(C)c1Br ZINC000002561680 570290924 /nfs/dbraw/zinc/29/09/24/570290924.db2.gz KIOBOIOKCMKZKW-UHFFFAOYSA-N -1 0 390.306 4.888 50 0 GJAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1 ZINC000004859969 570349809 /nfs/dbraw/zinc/34/98/09/570349809.db2.gz AXZOVNJNIIUROP-IBGZPJMESA-N -1 0 384.863 4.581 50 0 GJAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000006316657 570377104 /nfs/dbraw/zinc/37/71/04/570377104.db2.gz QDYUXWKGLWRNIB-UHFFFAOYSA-N -1 0 390.249 4.652 50 0 GJAARM O=c1cc([O-])c2sc3nc(Cc4ccccc4)cc(C(F)(F)F)c3c2[nH]1 ZINC000005593891 570448275 /nfs/dbraw/zinc/44/82/75/570448275.db2.gz CFSYFEQTDIPZDN-UHFFFAOYSA-N -1 0 376.359 4.865 50 0 GJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000005631349 570449416 /nfs/dbraw/zinc/44/94/16/570449416.db2.gz DBKJUQTWUYLUEB-QWRGUYRKSA-N -1 0 397.283 4.722 50 0 GJAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)c2ccccc12 ZINC000028251811 570453193 /nfs/dbraw/zinc/45/31/93/570453193.db2.gz WRAANEHMZJEVFR-UHFFFAOYSA-N -1 0 384.501 4.913 50 0 GJAARM NN=C(C[C@H](C(=O)[O-])c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 ZINC000252598411 570454083 /nfs/dbraw/zinc/45/40/83/570454083.db2.gz CZZJOEQASHHYPX-NRFANRHFSA-N -1 0 397.478 4.611 50 0 GJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005756618 570455985 /nfs/dbraw/zinc/45/59/85/570455985.db2.gz SPUOPTCIVFNKFX-NEPJUHHUSA-N -1 0 383.288 4.554 50 0 GJAARM O=S(=O)([N-]c1nc2c(cc(F)cc2F)s1)c1cccc(Cl)c1Cl ZINC000006623200 570506802 /nfs/dbraw/zinc/50/68/02/570506802.db2.gz QBXJIWBOOBZYSB-UHFFFAOYSA-N -1 0 395.239 4.682 50 0 GJAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2cccc(Cl)c2)c3=O)cc1 ZINC000009935391 570562693 /nfs/dbraw/zinc/56/26/93/570562693.db2.gz OJRHJHCBXBQYNF-UHFFFAOYSA-N -1 0 393.874 4.559 50 0 GJAARM C[C@@H]1CCCC[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071084646 570616622 /nfs/dbraw/zinc/61/66/22/570616622.db2.gz YGBJSIBWMAKQPS-CMJOXMDJSA-N -1 0 379.456 4.559 50 0 GJAARM CCCCN(CC)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccccc3)ccc2n1 ZINC000033010233 570622293 /nfs/dbraw/zinc/62/22/93/570622293.db2.gz BWMDBPBDBVFPJW-UHFFFAOYSA-N -1 0 391.471 4.812 50 0 GJAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(-c3cccc(Cl)c3)o2)N1 ZINC000045796257 570649151 /nfs/dbraw/zinc/64/91/51/570649151.db2.gz RWGLUBLPUIVSPT-LAUBAEHRSA-N -1 0 392.842 4.770 50 0 GJAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000005577153 570659366 /nfs/dbraw/zinc/65/93/66/570659366.db2.gz LHEOFGBKERIXQQ-KGLIPLIRSA-N -1 0 378.881 4.601 50 0 GJAARM CCCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000004613797 570669499 /nfs/dbraw/zinc/66/94/99/570669499.db2.gz QVXBMWPAYUCPFT-UHFFFAOYSA-N -1 0 375.222 4.702 50 0 GJAARM O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@@H]([C@@H]1CC=CCC1)CC(=O)O2 ZINC000524731879 570766781 /nfs/dbraw/zinc/76/67/81/570766781.db2.gz NPFREZSWVDKTAI-GDBMZVCRSA-N -1 0 388.419 4.915 50 0 biogenic GJAARM Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Br ZINC000007056262 570774872 /nfs/dbraw/zinc/77/48/72/570774872.db2.gz NCJFXOUBIAQNTL-UHFFFAOYSA-N -1 0 394.212 4.577 50 0 GJAARM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000004689317 570834967 /nfs/dbraw/zinc/83/49/67/570834967.db2.gz HTIMCRZFXNWJNF-HTAPYJJXSA-N -1 0 395.499 4.834 50 0 GJAARM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626942 570879079 /nfs/dbraw/zinc/87/90/79/570879079.db2.gz HETRQTLKVFABGG-KSSFIOAISA-N -1 0 389.879 4.565 50 0 GJAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@H](c1ccc(F)c(F)c1)C2 ZINC000299785453 570895644 /nfs/dbraw/zinc/89/56/44/570895644.db2.gz REKQZLZAIXIIRQ-IBGZPJMESA-N -1 0 399.418 4.512 50 0 GJAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004581142 570911601 /nfs/dbraw/zinc/91/16/01/570911601.db2.gz BGCZNYOUKVKODC-FQEVSTJZSA-N -1 0 383.488 4.717 50 0 GJAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033289954 570960836 /nfs/dbraw/zinc/96/08/36/570960836.db2.gz XZSBDXMMHKZHMU-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)n[nH]1 ZINC000033306682 570967256 /nfs/dbraw/zinc/96/72/56/570967256.db2.gz AMEZCMRLCGQIQU-UHFFFAOYSA-N -1 0 395.937 4.826 50 0 GJAARM Cc1nn(-c2cccc(C)c2C)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057308 571017238 /nfs/dbraw/zinc/01/72/38/571017238.db2.gz MHLISZLFBGXNKT-KRWDZBQOSA-N -1 0 399.450 4.852 50 0 GJAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)s1 ZINC000046057334 571017320 /nfs/dbraw/zinc/01/73/20/571017320.db2.gz QCXXRLHRBLDANB-MRXNPFEDSA-N -1 0 393.512 4.730 50 0 GJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(C)C)c(C)cc1OCC ZINC000001067851 212212060 /nfs/dbraw/zinc/21/20/60/212212060.db2.gz DRWFRFDMHIDJME-UHFFFAOYSA-N -1 0 377.506 4.717 50 0 GJAARM CCO[C@H](Nc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000608131 212163774 /nfs/dbraw/zinc/16/37/74/212163774.db2.gz BPOMPTVRBWXZBY-QFIPXVFZSA-N -1 0 375.424 4.709 50 0 in-man GJAARM Cc1c(O[C@H](C(=O)[O-])c2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000000622184 206291304 /nfs/dbraw/zinc/29/13/04/206291304.db2.gz BGEVOTWGOHBDHG-QHCPKHFHSA-N -1 0 386.403 4.973 50 0 biogenic GJAARM O=C([O-])[C@H](CC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621923 206308740 /nfs/dbraw/zinc/30/87/40/206308740.db2.gz HIJAUEZBPWTKIV-QFIPXVFZSA-N -1 0 393.483 4.949 50 0 GJAARM O=C([O-])c1cccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000000689897 206316704 /nfs/dbraw/zinc/31/67/04/206316704.db2.gz QLINFGQSAXACLV-UHFFFAOYSA-N -1 0 398.426 4.801 50 0 GJAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCC1 ZINC000001036846 206343997 /nfs/dbraw/zinc/34/39/97/206343997.db2.gz BWQQGHPODCJZDB-OAQYLSRUSA-N -1 0 379.456 4.559 50 0 GJAARM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004653868 206536967 /nfs/dbraw/zinc/53/69/67/206536967.db2.gz ABGMROJQDYKVHQ-XOQVKLMPSA-N -1 0 383.532 4.833 50 0 GJAARM Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)[N-]c3ccc(Cl)cn3)c2)on1 ZINC000009228262 206779090 /nfs/dbraw/zinc/77/90/90/206779090.db2.gz OLVUYDREAHBZID-UHFFFAOYSA-N -1 0 391.880 4.623 50 0 GJAARM COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)c1 ZINC000015081516 207045745 /nfs/dbraw/zinc/04/57/45/207045745.db2.gz JUFMDJXWXSJUSD-OAHLLOKOSA-N -1 0 379.437 4.596 50 0 GJAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 ZINC000020100630 207177341 /nfs/dbraw/zinc/17/73/41/207177341.db2.gz YBWPEZZOXADLLU-UHFFFAOYSA-N -1 0 387.317 4.706 50 0 GJAARM COc1cc([C@H](C)n2c(=O)c3ccccc3[n-]c2=S)ccc1OCC(C)C ZINC000040087764 207338254 /nfs/dbraw/zinc/33/82/54/207338254.db2.gz WWKHBEZDDNHAQZ-AWEZNQCLSA-N -1 0 384.501 4.712 50 0 GJAARM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481801 208032394 /nfs/dbraw/zinc/03/23/94/208032394.db2.gz WWGXOZWLVAOLTC-UNMCSNQZSA-N -1 0 393.483 4.949 50 0 GJAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc(Cl)c1O ZINC000095950283 208241771 /nfs/dbraw/zinc/24/17/71/208241771.db2.gz LMNGJEJYOJNFNY-WDZFZDKYSA-N -1 0 375.833 4.679 50 0 GJAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c(C)s2)on1 ZINC000096323487 208306407 /nfs/dbraw/zinc/30/64/07/208306407.db2.gz OKTGPNFTTLCYGO-UHFFFAOYSA-N -1 0 386.857 4.613 50 0 GJAARM COCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3cccc4ccccc43)c2n1 ZINC000100731967 208379334 /nfs/dbraw/zinc/37/93/34/208379334.db2.gz WHHZHIXSGIAZDS-UHFFFAOYSA-N -1 0 395.462 4.580 50 0 GJAARM Cc1nc([N-]c2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 ZINC000009244576 221076027 /nfs/dbraw/zinc/07/60/27/221076027.db2.gz KKEUNMMVYMWOGT-HNNXBMFYSA-N -1 0 399.429 4.524 50 0 GJAARM Cc1ccccc1NC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1C ZINC000008971389 221066694 /nfs/dbraw/zinc/06/66/94/221066694.db2.gz YBWKSEMGFCEYGG-UHFFFAOYSA-N -1 0 375.457 4.699 50 0 GJAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)s2)c1C ZINC000009686719 221089620 /nfs/dbraw/zinc/08/96/20/221089620.db2.gz SIRBTAMEHHMGDG-UHFFFAOYSA-N -1 0 381.910 4.518 50 0 GJAARM O=C(Nc1ccccc1)Nc1ccc2cc(C(=O)c3ccccc3[O-])cnc2c1 ZINC000012880025 221241393 /nfs/dbraw/zinc/24/13/93/221241393.db2.gz LZWTYDOVYZUOJJ-UHFFFAOYSA-N -1 0 383.407 4.815 50 0 GJAARM CCC[C@@H](CC(=O)[O-])c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O ZINC000013382644 221267754 /nfs/dbraw/zinc/26/77/54/221267754.db2.gz MXFUJXIOAUPXPT-XQQFMLRXSA-N -1 0 388.460 4.535 50 0 biogenic,in-vitro GJAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)c(C)c1 ZINC000016839915 221372638 /nfs/dbraw/zinc/37/26/38/221372638.db2.gz UFFMYSIFSPRFCZ-UHFFFAOYSA-N -1 0 384.435 4.565 50 0 GJAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)cc1 ZINC000017078985 221377209 /nfs/dbraw/zinc/37/72/09/221377209.db2.gz UBBMCZJTZAGIIH-UHFFFAOYSA-N -1 0 386.542 4.641 50 0 GJAARM CC(C(=O)c1ccc(Br)cc1)=C([O-])c1ccc(Br)cc1 ZINC000100780632 222462711 /nfs/dbraw/zinc/46/27/11/222462711.db2.gz AISJKXRMQCNKDF-UHFFFAOYSA-N -1 0 396.078 4.913 50 0 GJAARM CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000011565867 570229286 /nfs/dbraw/zinc/22/92/86/570229286.db2.gz UOXQPZHVTHONDK-UHFFFAOYSA-N -1 0 376.522 4.667 50 0 GJAARM Cc1nn(-c2ccc(C)cc2C)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000035170901 570243605 /nfs/dbraw/zinc/24/36/05/570243605.db2.gz MFXCHWHVPARHBV-ZDUSSCGKSA-N -1 0 399.903 4.821 50 0 GJAARM Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)[n-]2)cc1 ZINC000049006616 570258045 /nfs/dbraw/zinc/25/80/45/570258045.db2.gz QDHOMHNBWDTAKD-UHFFFAOYSA-N -1 0 399.450 4.583 50 0 GJAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(Cc2ccccc2Cl)c3=O)cc1 ZINC000102724773 570291808 /nfs/dbraw/zinc/29/18/08/570291808.db2.gz GPHYCZXUFOHWSC-UHFFFAOYSA-N -1 0 393.874 4.972 50 0 GJAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000002855431 570309738 /nfs/dbraw/zinc/30/97/38/570309738.db2.gz ZRSHGCOBVRUDMF-UHFFFAOYSA-N -1 0 389.860 4.942 50 0 GJAARM O=C([O-])c1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)cc1 ZINC000004915124 570364211 /nfs/dbraw/zinc/36/42/11/570364211.db2.gz SBOOKENTXCMTGP-FQEVSTJZSA-N -1 0 392.842 4.805 50 0 GJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1-c1ccno1 ZINC000035479783 570367709 /nfs/dbraw/zinc/36/77/09/570367709.db2.gz PYBBKTVAMLBNGS-UHFFFAOYSA-N -1 0 382.894 4.783 50 0 GJAARM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccc(-c2ccon2)s1 ZINC000004332806 570368714 /nfs/dbraw/zinc/36/87/14/570368714.db2.gz AQIDFNRCFWJSAK-UHFFFAOYSA-N -1 0 398.465 4.996 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000035510944 570387939 /nfs/dbraw/zinc/38/79/39/570387939.db2.gz CZJSMZITVANMQL-UHFFFAOYSA-N -1 0 392.430 4.803 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000035510941 570387982 /nfs/dbraw/zinc/38/79/82/570387982.db2.gz AFCCTNCZMNUDQD-UHFFFAOYSA-N -1 0 388.467 4.972 50 0 GJAARM CCOC(=O)c1ccc2nc([N-]c3nc4c(cccc4OC)s3)sc2c1 ZINC000005025731 570399494 /nfs/dbraw/zinc/39/94/94/570399494.db2.gz UUJYMNASEMCRCK-UHFFFAOYSA-N -1 0 385.470 4.835 50 0 GJAARM CC(C)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004757093 570403645 /nfs/dbraw/zinc/40/36/45/570403645.db2.gz LPBVHVJXPXEHTC-UHFFFAOYSA-N -1 0 394.496 4.863 50 0 GJAARM CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1c(C)cccc1C ZINC000252640243 570455497 /nfs/dbraw/zinc/45/54/97/570455497.db2.gz YRYNNYOXIAWTAF-YOTBKHOGSA-N -1 0 380.469 4.626 50 0 GJAARM O=c1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n21 ZINC000008381345 570530216 /nfs/dbraw/zinc/53/02/16/570530216.db2.gz OQPARRPBFWSFFU-UHFFFAOYSA-N -1 0 391.474 4.871 50 0 GJAARM CC(C)CSc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000064747857 570532833 /nfs/dbraw/zinc/53/28/33/570532833.db2.gz UFROIDNLYUWEGB-UHFFFAOYSA-N -1 0 384.573 4.907 50 0 GJAARM CSc1cccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000064757515 570537195 /nfs/dbraw/zinc/53/71/95/570537195.db2.gz KWZQKLJMQCKEBI-UHFFFAOYSA-N -1 0 385.514 4.656 50 0 GJAARM CCc1csc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)n1 ZINC000064769316 570541440 /nfs/dbraw/zinc/54/14/40/570541440.db2.gz HOLDYHBOLGISRK-UHFFFAOYSA-N -1 0 378.544 4.852 50 0 GJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820463 570555422 /nfs/dbraw/zinc/55/54/22/570555422.db2.gz LHEHXYGSCZEFIV-UHFFFAOYSA-N -1 0 388.467 4.972 50 0 GJAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCCC3)c([O-])n2n1 ZINC000022853001 570556567 /nfs/dbraw/zinc/55/65/67/570556567.db2.gz XAHJLVWTTICPSA-CQSZACIVSA-N -1 0 397.331 4.551 50 0 GJAARM CCCCC(=O)Nc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)cc(C(=O)[O-])c2c1 ZINC000033010265 570622162 /nfs/dbraw/zinc/62/21/62/570622162.db2.gz DIIARSUAWYVUGW-GJZGRUSLSA-N -1 0 383.492 4.544 50 0 GJAARM CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000042783138 570622844 /nfs/dbraw/zinc/62/28/44/570622844.db2.gz OXGNDBMIOLFUAK-INWMFGNUSA-N -1 0 397.899 4.695 50 0 GJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)[O-])n1 ZINC000001235525 570714219 /nfs/dbraw/zinc/71/42/19/570714219.db2.gz HAQIFVQHRZHBAY-NVNXTCNLSA-N -1 0 375.837 4.553 50 0 GJAARM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3cccs3)c(C)c2)n1 ZINC000058168365 570714475 /nfs/dbraw/zinc/71/44/75/570714475.db2.gz UXVAIECPZOKSDU-UHFFFAOYSA-N -1 0 382.557 4.773 50 0 GJAARM Cc1n[nH]c(SC(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[O-])n1 ZINC000006588312 570748805 /nfs/dbraw/zinc/74/88/05/570748805.db2.gz QDCJDXWCIDDXLY-ZSOIEALJSA-N -1 0 395.362 4.610 50 0 GJAARM O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000005894899 570801698 /nfs/dbraw/zinc/80/16/98/570801698.db2.gz JIHMFBPVUYIOGO-NVNXTCNLSA-N -1 0 380.252 4.936 50 0 GJAARM CCCn1c(=O)c(-c2nc(-c3ccc(Cl)c(F)c3)no2)c([O-])c2ccccc21 ZINC000101725309 570831376 /nfs/dbraw/zinc/83/13/76/570831376.db2.gz BCBVPAOQDNCKAR-UHFFFAOYSA-N -1 0 399.809 4.627 50 0 GJAARM Cc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)sc1-c1ccccc1 ZINC000526052380 570845610 /nfs/dbraw/zinc/84/56/10/570845610.db2.gz GMSWDEGZTCMPJX-UHFFFAOYSA-N -1 0 377.494 4.916 50 0 GJAARM Cc1cc2oc3c(c2cc1[N-]S(=O)(=O)c1cccc2cccnc21)CCCC3 ZINC000004735775 570950281 /nfs/dbraw/zinc/95/02/81/570950281.db2.gz KTGLFOSJRJHJTI-UHFFFAOYSA-N -1 0 392.480 4.969 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)s2)n1 ZINC000033289945 570960331 /nfs/dbraw/zinc/96/03/31/570960331.db2.gz XUSAXKFYPLMDMU-UHFFFAOYSA-N -1 0 384.935 4.943 50 0 GJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)s2)n1 ZINC000033289983 570960715 /nfs/dbraw/zinc/96/07/15/570960715.db2.gz XKHAXTNYVAWJOH-UHFFFAOYSA-N -1 0 378.544 4.906 50 0 GJAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CC[C@H](c2ccccc2)C1 ZINC000046053653 571015722 /nfs/dbraw/zinc/01/57/22/571015722.db2.gz LTCVUSGWAIEADT-INIZCTEOSA-N -1 0 392.480 4.693 50 0 GJAARM Cc1nn(-c2cccc(C)c2C)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057305 571016948 /nfs/dbraw/zinc/01/69/48/571016948.db2.gz MHLISZLFBGXNKT-QGZVFWFLSA-N -1 0 399.450 4.852 50 0 GJAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)cc1 ZINC000046057604 571017749 /nfs/dbraw/zinc/01/77/49/571017749.db2.gz HVKKHOOMSSWSGI-SFHVURJKSA-N -1 0 399.450 4.798 50 0 GJAARM