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(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000333574018 1041736288 /nfs/dbraw/zinc/73/62/88/1041736288.db2.gz QFUNVZNZYKHRBH-MRXNPFEDSA-N 0 2 342.830 3.798 50 0 EHAALN Cc1nc(-c2csc(S(=O)(=O)Nc3cc(C)ccc3C)c2)no1 ZINC000021701754 202068688 /nfs/dbraw/zinc/06/86/88/202068688.db2.gz NXEWCZQWZBAKBC-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3ccccc3Cl)cc2)[NH2+]1 ZINC000002472418 563433200 /nfs/dbraw/zinc/43/32/00/563433200.db2.gz CYMVBODYZNMIRO-CVEARBPZSA-N 0 2 349.839 3.707 50 0 EHAALN CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000004970469 563516330 /nfs/dbraw/zinc/51/63/30/563516330.db2.gz WTFLAZKFBYXZRQ-UHFFFAOYSA-N 0 2 340.832 3.551 50 0 EHAALN CSc1[nH]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000006184532 563560552 /nfs/dbraw/zinc/56/05/52/563560552.db2.gz OQFAORHWMJGDJZ-UHFFFAOYSA-N 0 2 330.434 3.631 50 0 EHAALN CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1 ZINC000006184532 563560554 /nfs/dbraw/zinc/56/05/54/563560554.db2.gz OQFAORHWMJGDJZ-UHFFFAOYSA-N 0 2 330.434 3.631 50 0 EHAALN N#CNc1nc(C=Cc2ccccc2Cl)nc(-c2ccccc2O)n1 ZINC000009053200 563641509 /nfs/dbraw/zinc/64/15/09/563641509.db2.gz ITUORZHZJJGBES-MDZDMXLPSA-N 0 2 349.781 3.961 50 0 EHAALN Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3)c2)c1C ZINC000044900866 564027598 /nfs/dbraw/zinc/02/75/98/564027598.db2.gz YBJRXLHBXATGCK-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN CC(C)c1ccc(-c2nc(C(=O)Nn3cn[nH]c3=S)cs2)cc1 ZINC000012825314 564075057 /nfs/dbraw/zinc/07/50/57/564075057.db2.gz KZHBOVMZYMNSPG-UHFFFAOYSA-N 0 2 345.453 3.571 50 0 EHAALN O=C(N[C@H]1CCSc2ccccc21)c1cc(F)c(F)c(O)c1F ZINC000095468981 564141222 /nfs/dbraw/zinc/14/12/22/564141222.db2.gz UGZBQKQNTWCIPP-NSHDSACASA-N 0 2 339.338 3.776 50 0 EHAALN Cc1ccc(Nc2nc(C[N@@H+]3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000262332940 564153261 /nfs/dbraw/zinc/15/32/61/564153261.db2.gz YKFVTNFBCFDJEK-OAHLLOKOSA-N 0 2 331.441 3.634 50 0 EHAALN Cc1ccc(Nc2nc(C[N@H+]3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000262332940 564153262 /nfs/dbraw/zinc/15/32/62/564153262.db2.gz YKFVTNFBCFDJEK-OAHLLOKOSA-N 0 2 331.441 3.634 50 0 EHAALN Cc1cccc2c(C)nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc12 ZINC000009477325 564173851 /nfs/dbraw/zinc/17/38/51/564173851.db2.gz CVYRZPTYIBDMAR-UHFFFAOYSA-N 0 2 347.422 3.935 50 0 EHAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000075351846 203312529 /nfs/dbraw/zinc/31/25/29/203312529.db2.gz UFFCNCRDCGZREO-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000075351840 203312805 /nfs/dbraw/zinc/31/28/05/203312805.db2.gz KUPZBNVBNHNUSF-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1cc(-c2cc(S(=O)(=O)Nc3cc(F)ccc3C)c(C)o2)n[nH]1 ZINC000075519171 203316652 /nfs/dbraw/zinc/31/66/52/203316652.db2.gz RSCYZPUENHLBPS-UHFFFAOYSA-N 0 2 349.387 3.535 50 0 EHAALN O=C(CSc1ccc(Br)cc1)NC1CCCCC1 ZINC000003291927 205647552 /nfs/dbraw/zinc/64/75/52/205647552.db2.gz CIFDLVUEXLGISP-UHFFFAOYSA-N 0 2 328.275 3.990 50 0 EHAALN Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000000373828 563298046 /nfs/dbraw/zinc/29/80/46/563298046.db2.gz HKFXCMZOUFCGGX-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccnc1)CCCCC3 ZINC000017071732 563834970 /nfs/dbraw/zinc/83/49/70/563834970.db2.gz DEUGOGMUMIMKCK-UHFFFAOYSA-N 0 2 343.477 3.833 50 0 EHAALN Cc1nn(C)c2nc(Nc3nsc4nc(C)cc(C)c34)sc12 ZINC000096162777 563979909 /nfs/dbraw/zinc/97/99/09/563979909.db2.gz LEHRCPJDRJTLOE-UHFFFAOYSA-N 0 2 330.442 3.703 50 0 EHAALN O=C(CCCn1c(=O)c2sccc2[nH]c1=S)Nc1ccccc1 ZINC000000425443 563998958 /nfs/dbraw/zinc/99/89/58/563998958.db2.gz ZRLJFZDGJXHJAV-UHFFFAOYSA-N 0 2 345.449 3.539 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2ccc(C)c(C)c2)c1=O ZINC000012414629 564051098 /nfs/dbraw/zinc/05/10/98/564051098.db2.gz DONIRSXUXSEXSU-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN COc1ccccc1C[C@@H]1CCCN1C(=O)c1c(O)cc(F)cc1F ZINC000083980041 564065496 /nfs/dbraw/zinc/06/54/96/564065496.db2.gz FLBUBPHCFKEWOL-AWEZNQCLSA-N 0 2 347.361 3.526 50 0 EHAALN COc1ccc(C)cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000007056405 564103960 /nfs/dbraw/zinc/10/39/60/564103960.db2.gz FWJNGHYEGSIWMO-UHFFFAOYSA-N 0 2 345.342 3.823 50 0 EHAALN O=C([O-])[C@@H]1CS[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)[NH2+]1 ZINC000003642581 564159277 /nfs/dbraw/zinc/15/92/77/564159277.db2.gz MTJOHDVAHGAFOD-JKSUJKDBSA-N 0 2 349.839 3.707 50 0 EHAALN O/N=c1\cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc21 ZINC000004790939 201619324 /nfs/dbraw/zinc/61/93/24/201619324.db2.gz XDPIRDJCRJBJRK-CPNJWEJPSA-N 0 2 329.739 3.814 50 0 EHAALN C[C@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000069703656 203039455 /nfs/dbraw/zinc/03/94/55/203039455.db2.gz AHBZTYJHYSGSJG-SECBINFHSA-N 0 2 325.195 3.927 50 0 EHAALN Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000055649170 563647276 /nfs/dbraw/zinc/64/72/76/563647276.db2.gz AXINNWYVJMIWTL-UHFFFAOYSA-N 0 2 327.837 3.535 50 0 EHAALN C[C@@H](Oc1cccnc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000097379061 563613086 /nfs/dbraw/zinc/61/30/86/563613086.db2.gz WPOREYBTPYCSCD-MRVPVSSYSA-N 0 2 327.167 3.500 50 0 EHAALN COc1ccccc1-n1c(=S)[nH]nc1-c1cc(-c2ccco2)n[nH]1 ZINC000009110028 563641916 /nfs/dbraw/zinc/64/19/16/563641916.db2.gz NXTMOTYZHUYKLO-UHFFFAOYSA-N 0 2 339.380 3.589 50 0 EHAALN CC(C)(C)C1CCC([NH2+]CCc2ccccc2)([P@@](=O)([O-])O)CC1 ZINC000012998749 563684198 /nfs/dbraw/zinc/68/41/98/563684198.db2.gz DCKSKOIWKKYMAJ-UHFFFAOYSA-N 0 2 339.416 3.929 50 0 EHAALN CC(C)(C)C1CCC([NH2+]CCc2ccccc2)([P@](=O)([O-])O)CC1 ZINC000012998749 563684201 /nfs/dbraw/zinc/68/42/01/563684201.db2.gz DCKSKOIWKKYMAJ-UHFFFAOYSA-N 0 2 339.416 3.929 50 0 EHAALN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3cc[nH]n3)cs2)c1 ZINC000065112317 564101308 /nfs/dbraw/zinc/10/13/08/564101308.db2.gz FVWTVMDTVFWMGR-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN COc1cc(C)c(S(=O)(=O)Nc2ncccc2C)cc1C(C)C ZINC000009061848 564168742 /nfs/dbraw/zinc/16/87/42/564168742.db2.gz SJWOGESDYRZULS-UHFFFAOYSA-N 0 2 334.441 3.631 50 0 EHAALN O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000016675972 1031262881 /nfs/dbraw/zinc/26/28/81/1031262881.db2.gz PSZZEGOMLOFJIJ-UHFFFAOYSA-N 0 2 332.285 3.594 50 0 EHAALN Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c(C)c1 ZINC000299738137 201354339 /nfs/dbraw/zinc/35/43/39/201354339.db2.gz BADOKBLEVNPBGC-CYBMUJFWSA-N 0 2 348.402 3.693 50 0 EHAALN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000140498 201440046 /nfs/dbraw/zinc/44/00/46/201440046.db2.gz ZVJLBQPEBJKODY-UHFFFAOYSA-N 0 2 330.862 3.895 50 0 EHAALN c1cn(CCOc2cccc(C[NH2+][C@@H]3CCOc4ccccc43)c2)c[nH+]1 ZINC000069869520 203057655 /nfs/dbraw/zinc/05/76/55/203057655.db2.gz FFLMAUARCJODLD-HXUWFJFHSA-N 0 2 349.434 3.576 50 0 EHAALN CCc1ccc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[nH]2)o1 ZINC000071910693 203147576 /nfs/dbraw/zinc/14/75/76/203147576.db2.gz WWWKQCZHWKOUEQ-ZDUSSCGKSA-N 0 2 329.425 3.889 50 0 EHAALN O=S(=O)(Nc1n[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000000140400 206208373 /nfs/dbraw/zinc/20/83/73/206208373.db2.gz YLUUEMYTRCVSBA-UHFFFAOYSA-N 0 2 342.207 3.671 50 0 EHAALN O=c1[nH]c(SCc2cccc(Cl)c2)nnc1-c1ccccc1 ZINC000011990965 207054031 /nfs/dbraw/zinc/05/40/31/207054031.db2.gz ZCIVRKKYVUKORL-UHFFFAOYSA-N 0 2 329.812 3.778 50 0 EHAALN O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3ccccc3Cl)cc2)[NH2+]1 ZINC000002472424 563433424 /nfs/dbraw/zinc/43/34/24/563433424.db2.gz CYMVBODYZNMIRO-HOTGVXAUSA-N 0 2 349.839 3.707 50 0 EHAALN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C ZINC000004970506 563516276 /nfs/dbraw/zinc/51/62/76/563516276.db2.gz YOBQJEJERBPNJT-UHFFFAOYSA-N 0 2 334.441 3.631 50 0 EHAALN CCCCOc1ccc(S(=O)(=O)Nc2ncccc2C)cc1C ZINC000016650727 563819454 /nfs/dbraw/zinc/81/94/54/563819454.db2.gz JHMMFDALUODKJS-UHFFFAOYSA-N 0 2 334.441 3.678 50 0 EHAALN CCc1nc(C)c([C@@H](C)N(C)Cc2nc(=O)c3sccc3[nH]2)s1 ZINC000096424496 563952010 /nfs/dbraw/zinc/95/20/10/563952010.db2.gz DDBIRWSXNZDJGJ-SNVBAGLBSA-N 0 2 348.497 3.505 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)c(C)s1 ZINC000024070382 563991698 /nfs/dbraw/zinc/99/16/98/563991698.db2.gz JEBPXXGDUYPXPS-UHFFFAOYSA-N 0 2 333.381 3.767 50 0 EHAALN CC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1 ZINC000003151773 564015255 /nfs/dbraw/zinc/01/52/55/564015255.db2.gz JAOLWVKMXKPINW-UHFFFAOYSA-N 0 2 339.178 3.910 50 0 EHAALN COc1ccc(Cn2c(=O)c3oc4ccccc4c3[nH]c2=S)cc1 ZINC000100892746 564023843 /nfs/dbraw/zinc/02/38/43/564023843.db2.gz WGINJFBCUUKZAH-UHFFFAOYSA-N 0 2 338.388 3.862 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cn1)c1ccccc1C(F)(F)F ZINC000008195494 564034837 /nfs/dbraw/zinc/03/48/37/564034837.db2.gz JPLIBODYUYUXFH-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN O=C([O-])c1ccc[nH+]c1N1CCC(c2nc3ccccc3s2)CC1 ZINC000012925285 564078485 /nfs/dbraw/zinc/07/84/85/564078485.db2.gz XEOOAMVRCPQBMS-UHFFFAOYSA-N 0 2 339.420 3.774 50 0 EHAALN O=S(=O)(Nc1nccs1)c1cccc(COc2ccccc2)c1 ZINC000072264768 202359327 /nfs/dbraw/zinc/35/93/27/202359327.db2.gz BJSDSCOLEGELBC-UHFFFAOYSA-N 0 2 346.433 3.523 50 0 EHAALN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2Cl)[NH2+]1 ZINC000000188025 563255467 /nfs/dbraw/zinc/25/54/67/563255467.db2.gz JNLXAXOXLWSEML-HZPDHXFCSA-N 0 2 326.783 3.510 50 0 EHAALN O=S(=O)(Cc1ccccc1)Nc1nnc(C2CCCCC2)s1 ZINC000000298938 563275329 /nfs/dbraw/zinc/27/53/29/563275329.db2.gz GZZSQPNNLDDSLM-UHFFFAOYSA-N 0 2 337.470 3.528 50 0 EHAALN Cc1ccc2[nH]cc(C[NH+]3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000067821195 563962815 /nfs/dbraw/zinc/96/28/15/563962815.db2.gz NBQCKYVBFSGURM-CALCHBBNSA-N 0 2 341.499 3.550 50 0 EHAALN O=c1nc(-c2ccncn2)[nH]c2cc(-c3ccccc3Cl)sc21 ZINC000225566578 564047859 /nfs/dbraw/zinc/04/78/59/564047859.db2.gz FGZRRZCSZYXAIE-UHFFFAOYSA-N 0 2 340.795 3.762 50 0 EHAALN COCCn1ccc2cc(NC(=O)c3c(O)cc(F)cc3F)ccc21 ZINC000083914491 564064568 /nfs/dbraw/zinc/06/45/68/564064568.db2.gz HEWDOTIRODTWRZ-UHFFFAOYSA-N 0 2 346.333 3.524 50 0 EHAALN Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000007054034 564103909 /nfs/dbraw/zinc/10/39/09/564103909.db2.gz JLNTWMGSQVQVHO-UHFFFAOYSA-N 0 2 328.393 3.759 50 0 EHAALN CCCc1cc2c(cc1O)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000005686283 201361776 /nfs/dbraw/zinc/36/17/76/201361776.db2.gz CKOAZRUDFDRXFQ-UHFFFAOYSA-N 0 2 338.359 3.889 50 0 biogenic EHAALN O=C([O-])c1[nH+]cc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000071257221 203089015 /nfs/dbraw/zinc/08/90/15/203089015.db2.gz OEJYKWLDGWAOIF-UHFFFAOYSA-N 0 2 335.359 3.938 50 0 EHAALN CCn1c(C)[nH+]c2c1cc(Br)c([O-])c2Br ZINC000000441203 206241921 /nfs/dbraw/zinc/24/19/21/206241921.db2.gz HJEAYFSKUJOYJZ-UHFFFAOYSA-N 0 2 334.011 3.595 50 0 EHAALN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000000465015 563328078 /nfs/dbraw/zinc/32/80/78/563328078.db2.gz LKTBJNREZOEKGX-UHFFFAOYSA-N 0 2 337.269 3.784 50 0 EHAALN CCCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12 ZINC000004660775 563507005 /nfs/dbraw/zinc/50/70/05/563507005.db2.gz DOPGDEXLJDYLPB-UHFFFAOYSA-N 0 2 342.420 3.824 50 0 EHAALN CC(C)Cc1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2c1CCC2 ZINC000013110348 563688116 /nfs/dbraw/zinc/68/81/16/563688116.db2.gz OHJZBRLNKKHBKV-UHFFFAOYSA-N 0 2 331.466 3.509 50 0 EHAALN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1 ZINC000015222159 563780491 /nfs/dbraw/zinc/78/04/91/563780491.db2.gz WTOSYKWKCONRLD-UHFFFAOYSA-N 0 2 345.811 3.598 50 0 EHAALN Cc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000067172782 563962243 /nfs/dbraw/zinc/96/22/43/563962243.db2.gz XCWAMJSCBZDOEP-UHFFFAOYSA-N 0 2 349.358 3.668 50 0 EHAALN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)sc1C ZINC000024069994 563991718 /nfs/dbraw/zinc/99/17/18/563991718.db2.gz RANDBWWCJMOPIG-UHFFFAOYSA-N 0 2 331.846 3.828 50 0 EHAALN C[C@H]([C@@H]1CCCO1)n1c(=O)c2c([nH]c1=S)sc1c2CCCC1 ZINC000017070773 564024833 /nfs/dbraw/zinc/02/48/33/564024833.db2.gz YSISXRAGZZJPCJ-KOLCDFICSA-N 0 2 336.482 3.739 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1C ZINC000065031070 564099756 /nfs/dbraw/zinc/09/97/56/564099756.db2.gz RXXVBPGVZWAMRP-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)cc1 ZINC000065031075 564099761 /nfs/dbraw/zinc/09/97/61/564099761.db2.gz KENBASCBWZGCGY-UHFFFAOYSA-N 0 2 334.422 3.766 50 0 EHAALN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000007057557 564104003 /nfs/dbraw/zinc/10/40/03/564104003.db2.gz RFMURFPICZQABJ-UHFFFAOYSA-N 0 2 342.420 3.683 50 0 EHAALN O=C(/C=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c(CCCl)c1 ZINC000012909587 564133584 /nfs/dbraw/zinc/13/35/84/564133584.db2.gz JAANIYVNYAHOPW-DAFODLJHSA-N 0 2 347.754 3.683 50 0 EHAALN CCCc1ccc(S(=O)(=O)Nc2ncnc3oc(C)c(C)c32)cc1 ZINC000095944100 564142138 /nfs/dbraw/zinc/14/21/38/564142138.db2.gz VIVCJRZGNDCGIA-UHFFFAOYSA-N 0 2 345.424 3.593 50 0 EHAALN O=c1nc(Cc2nc(-c3ccccc3)cs2)[nH]c2ccsc21 ZINC000053848006 214202460 /nfs/dbraw/zinc/20/24/60/214202460.db2.gz ILNFMNLMTMYWHL-UHFFFAOYSA-N 0 2 325.418 3.699 50 0 EHAALN CCCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C ZINC000027823151 202160319 /nfs/dbraw/zinc/16/03/19/202160319.db2.gz KSROIPRMEVUSOK-UHFFFAOYSA-N 0 2 334.441 3.760 50 0 EHAALN CC(C)(C)c1[nH]c2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2[nH+]1 ZINC000013469907 201366035 /nfs/dbraw/zinc/36/60/35/201366035.db2.gz FQYWNAKCPJQDGM-UHFFFAOYSA-N 0 2 343.427 3.834 50 0 EHAALN Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c1C ZINC000299738140 201354633 /nfs/dbraw/zinc/35/46/33/201354633.db2.gz BCRGUORXTRLXDA-LBPRGKRZSA-N 0 2 348.402 3.693 50 0 EHAALN O=C(N[C@@H]1CCSc2ccccc21)c1cc(F)c(F)c(O)c1F ZINC000095468980 203748168 /nfs/dbraw/zinc/74/81/68/203748168.db2.gz UGZBQKQNTWCIPP-LLVKDONJSA-N 0 2 339.338 3.776 50 0 EHAALN CCOC(=O)c1c(SC)[nH]c2c(cccc2C(F)(F)F)c1=O ZINC000013466479 563698872 /nfs/dbraw/zinc/69/88/72/563698872.db2.gz HYKHMSOQDYMNMM-UHFFFAOYSA-N 0 2 331.315 3.858 50 0 EHAALN O=c1c2ccccc2[nH]c(=S)n1-c1cc(Cl)c(O)c(Cl)c1 ZINC000017071069 563833925 /nfs/dbraw/zinc/83/39/25/563833925.db2.gz DZALQCHBLYXNFI-UHFFFAOYSA-N 0 2 339.203 3.687 50 0 EHAALN CCc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 ZINC000012559685 564059473 /nfs/dbraw/zinc/05/94/73/564059473.db2.gz NKXQCUROUJWJKP-UHFFFAOYSA-N 0 2 349.419 3.896 50 0 EHAALN Cc1c(NC(=O)c2cc(F)cc(Cl)c2O)n[nH]c1-c1ccncc1 ZINC000089547765 564092804 /nfs/dbraw/zinc/09/28/04/564092804.db2.gz ZCHMBPOOIZUIKD-UHFFFAOYSA-N 0 2 346.749 3.531 50 0 EHAALN Cc1nnc(-c2csc(S(=O)(=O)Nc3c(C)cccc3C)c2)o1 ZINC000065098528 564101086 /nfs/dbraw/zinc/10/10/86/564101086.db2.gz MLYBKKOWHFGQQC-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN COc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[nH]c2=O)cc1 ZINC000008578469 564165774 /nfs/dbraw/zinc/16/57/74/564165774.db2.gz XJHODURGMVYOOO-UHFFFAOYSA-N 0 2 336.395 3.537 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1Cl ZINC000187740810 1131949799 /nfs/dbraw/zinc/94/97/99/1131949799.db2.gz LYZBHUWCWVYDSG-NSHDSACASA-N 0 2 339.848 3.617 50 0 EHAALN O=C([O-])CCC1CC[NH+](Cc2c(Cl)ccc(O)c2Cl)CC1 ZINC000097698843 219049480 /nfs/dbraw/zinc/04/94/80/219049480.db2.gz IAXVOGKFIKQYHV-UHFFFAOYSA-N 0 2 332.227 3.776 50 0 EHAALN COc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003370438 210019752 /nfs/dbraw/zinc/01/97/52/210019752.db2.gz LDTWIKIFIKTXCR-UHFFFAOYSA-N 0 2 332.208 3.803 50 0 EHAALN CCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000021158371 202062789 /nfs/dbraw/zinc/06/27/89/202062789.db2.gz RWHFQGSMZIBCQL-UHFFFAOYSA-N 0 2 339.351 3.666 50 0 EHAALN Cc1cccc(C)c1NC(=O)c1c(O)c2cccc3c2n(c1=O)[C@@H](C)C3 ZINC000299738215 201355318 /nfs/dbraw/zinc/35/53/18/201355318.db2.gz KBTMJHKAXHWMEZ-ZDUSSCGKSA-N 0 2 348.402 3.693 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1 ZINC000004618403 564013859 /nfs/dbraw/zinc/01/38/59/564013859.db2.gz PIPQYWFQACGJEB-UHFFFAOYSA-N 0 2 332.208 3.808 50 0 EHAALN O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1 ZINC000001386580 563385344 /nfs/dbraw/zinc/38/53/44/563385344.db2.gz BPTPNBWSOKFDTN-UHFFFAOYSA-N 0 2 328.418 3.955 50 0 aggregator EHAALN Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000002464725 563575202 /nfs/dbraw/zinc/57/52/02/563575202.db2.gz FZVIFRSAQWWXAJ-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 ZINC000000378605 563917416 /nfs/dbraw/zinc/91/74/16/563917416.db2.gz NRMLKQSKIUWFMJ-UHFFFAOYSA-N 0 2 341.433 3.526 50 0 EHAALN CCCCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1O ZINC000041091986 563924210 /nfs/dbraw/zinc/92/42/10/563924210.db2.gz RYBBBMNUSUBYCI-UHFFFAOYSA-N 0 2 335.425 3.680 50 0 EHAALN COc1cccc([C@H]2CCCN2Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000058180101 563939157 /nfs/dbraw/zinc/93/91/57/563939157.db2.gz MPVCPNSRRNYYRZ-OAHLLOKOSA-N 0 2 341.436 3.743 50 0 EHAALN Cc1nc(C2CCCC2)sc1C(=O)Nc1nc(-c2ccoc2)n[nH]1 ZINC000096430788 563952559 /nfs/dbraw/zinc/95/25/59/563952559.db2.gz OJRFZRQSCVBDTH-UHFFFAOYSA-N 0 2 343.412 3.740 50 0 EHAALN O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccccc1Cl ZINC000097235901 563970699 /nfs/dbraw/zinc/97/06/99/563970699.db2.gz HNHRAEKZRUAZFH-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cn1)c1cc(Cl)ccc1Cl ZINC000005557823 564005454 /nfs/dbraw/zinc/00/54/54/564005454.db2.gz HWMBAEMYPWOGRN-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000004970544 564093166 /nfs/dbraw/zinc/09/31/66/564093166.db2.gz MDLDBIHONPLLMY-UHFFFAOYSA-N 0 2 340.832 3.551 50 0 EHAALN O=S(=O)(Nc1cccc2cccnc21)c1ccc(Cl)cc1F ZINC000007709469 564122122 /nfs/dbraw/zinc/12/21/22/564122122.db2.gz DCXGHZPMRLETJZ-UHFFFAOYSA-N 0 2 336.775 3.828 50 0 EHAALN COC(=O)c1c(SCc2cccc(F)c2)[nH]c2ccccc2c1=O ZINC000009300290 564172381 /nfs/dbraw/zinc/17/23/81/564172381.db2.gz MHIIUBLJZVOSGM-UHFFFAOYSA-N 0 2 343.379 3.746 50 0 EHAALN CCc1cc2c(cc1O)oc(C)c(-c1nc3ccccc3n1C)c2=O ZINC000005686750 201362106 /nfs/dbraw/zinc/36/21/06/201362106.db2.gz KKFCQJBFHARTOH-UHFFFAOYSA-N 0 2 334.375 3.923 50 0 biogenic EHAALN Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000000470240 201477484 /nfs/dbraw/zinc/47/74/84/201477484.db2.gz WYHSRPSWMFYLGN-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000002469434 201532762 /nfs/dbraw/zinc/53/27/62/201532762.db2.gz AOODQXYCFAXBPW-ZDUSSCGKSA-N 0 2 329.371 3.942 50 0 EHAALN CCCCOc1ccc2nnc(-c3ccc(Br)cc3)n2n1 ZINC000002502352 201533384 /nfs/dbraw/zinc/53/33/84/201533384.db2.gz DJJHHGWBKHRUSL-UHFFFAOYSA-N 0 2 347.216 3.733 50 0 EHAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccccc3C)s2)o1 ZINC000065003835 202823159 /nfs/dbraw/zinc/82/31/59/202823159.db2.gz GHWKNDIIQCGQPJ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1cnccc1CN(C)c1cc(-c2ccccc2)nc2ccnn21 ZINC000072431396 203223629 /nfs/dbraw/zinc/22/36/29/203223629.db2.gz IWWCYJGEPSVYBT-UHFFFAOYSA-N 0 2 329.407 3.736 50 0 EHAALN Cc1cc(Cl)cc2c(Nc3cccc(O)c3)c(C(=O)[O-])c[nH+]c12 ZINC000019795505 212068668 /nfs/dbraw/zinc/06/86/68/212068668.db2.gz BHESBEYKHOKMEZ-UHFFFAOYSA-N 0 2 328.755 3.766 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000100602452 203995723 /nfs/dbraw/zinc/99/57/23/203995723.db2.gz IXSWAGDXYSVPSM-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN Cc1nc(-c2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cs1 ZINC000005730853 563547657 /nfs/dbraw/zinc/54/76/57/563547657.db2.gz FDGPZXWQGFWDKO-UHFFFAOYSA-N 0 2 327.283 3.949 50 0 EHAALN O=S(=O)(Nc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000006887639 564100720 /nfs/dbraw/zinc/10/07/20/564100720.db2.gz MDRUDINEVXYTAC-UHFFFAOYSA-N 0 2 341.436 3.633 50 0 EHAALN Cc1nnc(-c2csc(S(=O)(=O)Nc3cccc(C)c3C)c2)o1 ZINC000065098527 564101081 /nfs/dbraw/zinc/10/10/81/564101081.db2.gz ZVTWBSZAIJGROR-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN O=c1nc(-c2cnccn2)[nH]c2cc(-c3ccccc3Cl)sc21 ZINC000054757232 564124021 /nfs/dbraw/zinc/12/40/21/564124021.db2.gz AQDJBZAMHWJMSD-UHFFFAOYSA-N 0 2 340.795 3.762 50 0 EHAALN COc1ccc(-c2c(O)c3cc(Cl)c(OC)cc3oc2=O)cc1 ZINC000071404797 564129444 /nfs/dbraw/zinc/12/94/44/564129444.db2.gz CIFQSENOUNSDIB-UHFFFAOYSA-N 0 2 332.739 3.836 50 0 EHAALN CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000106216953 1044351152 /nfs/dbraw/zinc/35/11/52/1044351152.db2.gz RUGKVPGHVSQADZ-HNNXBMFYSA-N 0 2 333.863 3.815 50 0 EHAALN CCOCc1cccc(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000071195469 202341251 /nfs/dbraw/zinc/34/12/51/202341251.db2.gz VDXBMWAKPQWFNE-UHFFFAOYSA-N 0 2 348.449 3.634 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3C)s2)o1 ZINC000064919948 202819505 /nfs/dbraw/zinc/81/95/05/202819505.db2.gz WKOKNGMSDMZOIE-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN CCC(=O)Nc1ccc(-n2cc[nH+]c2-c2ccccc2C(=O)[O-])c(C)c1 ZINC000077378806 203384767 /nfs/dbraw/zinc/38/47/67/203384767.db2.gz FQRJNHNHSYOAMZ-UHFFFAOYSA-N 0 2 349.390 3.894 50 0 EHAALN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2Cl)[NH2+]1 ZINC000000188037 563255450 /nfs/dbraw/zinc/25/54/50/563255450.db2.gz JNLXAXOXLWSEML-CVEARBPZSA-N 0 2 326.783 3.510 50 0 EHAALN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000000384700 563301305 /nfs/dbraw/zinc/30/13/05/563301305.db2.gz XNYRYSBNCKGQLI-UHFFFAOYSA-N 0 2 340.832 3.668 50 0 EHAALN COc1ccccc1Nc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1 ZINC000016777312 563822896 /nfs/dbraw/zinc/82/28/96/563822896.db2.gz ZYEZBPPSBHNNIL-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN C[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4cccnc4)c(=O)c23)C1 ZINC000017071734 563835004 /nfs/dbraw/zinc/83/50/04/563835004.db2.gz GRFGWRMOMMCUSZ-JTQLQIEISA-N 0 2 343.477 3.689 50 0 EHAALN O=S(=O)(Nc1nc2c(ccc(Cl)c2F)s1)c1ccccc1 ZINC000097034312 563966941 /nfs/dbraw/zinc/96/69/41/563966941.db2.gz KWUXCQCTSPYGFX-UHFFFAOYSA-N 0 2 342.804 3.890 50 0 EHAALN Cc1ncsc1CC[N@@H+](C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095369875 563976804 /nfs/dbraw/zinc/97/68/04/563976804.db2.gz DTFDVLSHEFPGMY-AWEZNQCLSA-N 0 2 342.823 3.544 50 0 EHAALN Cc1ncsc1CC[N@H+](C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095369875 563976805 /nfs/dbraw/zinc/97/68/05/563976805.db2.gz DTFDVLSHEFPGMY-AWEZNQCLSA-N 0 2 342.823 3.544 50 0 EHAALN CCOc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2cc1OCC ZINC000000425114 563998571 /nfs/dbraw/zinc/99/85/71/563998571.db2.gz ZEQOCNZJZQBKSR-UHFFFAOYSA-N 0 2 334.441 3.972 50 0 EHAALN Cn1c2ccccc2nc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000027924053 564137560 /nfs/dbraw/zinc/13/75/60/564137560.db2.gz NBSRRSJHDFWFRX-UHFFFAOYSA-N 0 2 343.452 3.672 50 0 EHAALN Cc1cccc2sc(NC(=O)c3cc(C(F)(F)F)n[nH]3)nc21 ZINC000028235178 564150821 /nfs/dbraw/zinc/15/08/21/564150821.db2.gz GPFZGPWMGYWXTN-UHFFFAOYSA-N 0 2 326.303 3.599 50 0 EHAALN O=S(=O)(Nc1cccc2cnccc21)c1cccc2cccnc21 ZINC000028248502 564150838 /nfs/dbraw/zinc/15/08/38/564150838.db2.gz LTDKNGYKXNJLRC-UHFFFAOYSA-N 0 2 335.388 3.584 50 0 EHAALN CCOc1cc(C)ccc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000214077942 241096582 /nfs/dbraw/zinc/09/65/82/241096582.db2.gz QGIKJAYNOHHHSY-UHFFFAOYSA-N 0 2 342.420 3.743 50 0 EHAALN O=C(Nc1nc(-c2ccoc2)n[nH]1)c1ccnc(Oc2ccccc2)c1 ZINC000069485517 203008025 /nfs/dbraw/zinc/00/80/25/203008025.db2.gz VSUOIAZBSJBBLL-UHFFFAOYSA-N 0 2 347.334 3.504 50 0 EHAALN O=C(c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1O ZINC000328578968 258017611 /nfs/dbraw/zinc/01/76/11/258017611.db2.gz CFZQYZPIOFGCPU-UHFFFAOYSA-N 0 2 343.180 3.571 50 0 EHAALN O=S(=O)(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Cl ZINC000000324708 563284396 /nfs/dbraw/zinc/28/43/96/563284396.db2.gz FNQVREYRGZFBBW-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000008715810 563637344 /nfs/dbraw/zinc/63/73/44/563637344.db2.gz AWYKQAKPERRMNX-UHFFFAOYSA-N 0 2 334.441 3.631 50 0 EHAALN Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccccc1Cl ZINC000055649133 563647167 /nfs/dbraw/zinc/64/71/67/563647167.db2.gz LKBBQUAWBCVVTE-UHFFFAOYSA-N 0 2 327.837 3.535 50 0 EHAALN O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 ZINC000002755592 564013422 /nfs/dbraw/zinc/01/34/22/564013422.db2.gz WMXLYICDOKNDOB-UHFFFAOYSA-N 0 2 342.804 3.890 50 0 EHAALN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)s1 ZINC000000811978 564034885 /nfs/dbraw/zinc/03/48/85/564034885.db2.gz WZWINIWMADLCHQ-UHFFFAOYSA-N 0 2 326.201 3.995 50 0 EHAALN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nccn2CC(C)C)cc1 ZINC000225529079 564047557 /nfs/dbraw/zinc/04/75/57/564047557.db2.gz NXPPWUGPMFOXSH-CQSZACIVSA-N 0 2 335.473 3.853 50 0 EHAALN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1ccccc1 ZINC000064947040 564098210 /nfs/dbraw/zinc/09/82/10/564098210.db2.gz QBPUOJPIPCYXIB-UHFFFAOYSA-N 0 2 341.436 3.598 50 0 EHAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccccc2)s1 ZINC000065183556 564102462 /nfs/dbraw/zinc/10/24/62/564102462.db2.gz RJHXZLWTUMGQGA-UHFFFAOYSA-N 0 2 335.454 3.628 50 0 EHAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2cccc(C)c2)s1 ZINC000065183554 564102480 /nfs/dbraw/zinc/10/24/80/564102480.db2.gz KIIJRXVRESZGOA-UHFFFAOYSA-N 0 2 349.481 3.937 50 0 EHAALN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc2cn[nH]c2cc1C ZINC000252478926 564119127 /nfs/dbraw/zinc/11/91/27/564119127.db2.gz AXKANSKZOCHHCS-UHFFFAOYSA-N 0 2 335.816 3.634 50 0 EHAALN Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(Cl)cc1 ZINC000009060067 564168717 /nfs/dbraw/zinc/16/87/17/564168717.db2.gz HULOUGOQMNOMLH-UHFFFAOYSA-N 0 2 338.798 3.595 50 0 EHAALN Cc1c[nH+]c([C@@H]2CC[N@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791952 1032660499 /nfs/dbraw/zinc/66/04/99/1032660499.db2.gz STEKGVIJRAHVIK-HXUWFJFHSA-N 0 2 332.451 3.624 50 0 EHAALN COc1cccc(Cn2c(=O)c3oc4ccccc4c3[nH]c2=S)c1 ZINC000100021203 219088088 /nfs/dbraw/zinc/08/80/88/219088088.db2.gz HYGINYJKDVFMEG-UHFFFAOYSA-N 0 2 338.388 3.862 50 0 EHAALN Cc1ccc(OC2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cc1 ZINC000186816492 236031133 /nfs/dbraw/zinc/03/11/33/236031133.db2.gz DUNKXRFXRLGKIT-UHFFFAOYSA-N 0 2 347.361 3.662 50 0 EHAALN O=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O ZINC000000057704 563213746 /nfs/dbraw/zinc/21/37/46/563213746.db2.gz MPZOVJOEZZCBKJ-UHFFFAOYSA-N 0 2 343.180 3.571 50 0 EHAALN O=c1cc(O)cc2occ(-c3ccc(Br)cc3)c(O)c1-2 ZINC000000304562 563277432 /nfs/dbraw/zinc/27/74/32/563277432.db2.gz TWOWQJIYFREVJJ-UHFFFAOYSA-N 0 2 333.137 3.634 50 0 biogenic EHAALN O=c1c(-c2ccc(Br)cc2)coc2cc(O)cc(O)c12 ZINC000000304562 563277437 /nfs/dbraw/zinc/27/74/37/563277437.db2.gz TWOWQJIYFREVJJ-UHFFFAOYSA-N 0 2 333.137 3.634 50 0 biogenic EHAALN Cc1c(Br)cc(Br)c(O)c1Br ZINC000000404196 563306314 /nfs/dbraw/zinc/30/63/14/563306314.db2.gz QKHROXOPRBWBDD-UHFFFAOYSA-N 0 2 344.828 3.988 50 0 EHAALN Cc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1 ZINC000012475313 563661873 /nfs/dbraw/zinc/66/18/73/563661873.db2.gz WVNOOGQICZKEHR-UHFFFAOYSA-N 0 2 327.771 3.996 50 0 EHAALN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2cccc(C)c2)c1 ZINC000000091133 563725694 /nfs/dbraw/zinc/72/56/94/563725694.db2.gz GHXDISAHZSPRGP-UHFFFAOYSA-N 0 2 334.379 3.531 50 0 EHAALN O=c1nc(CSc2nc3cc(Cl)ccc3[nH]2)[nH]c2ccsc21 ZINC000005173947 564005846 /nfs/dbraw/zinc/00/58/46/564005846.db2.gz AISUWLSUOICQBZ-UHFFFAOYSA-N 0 2 348.840 3.807 50 0 EHAALN O=c1nc(CSc2nc3ccc(Cl)cc3[nH]2)[nH]c2ccsc21 ZINC000005173947 564005847 /nfs/dbraw/zinc/00/58/47/564005847.db2.gz AISUWLSUOICQBZ-UHFFFAOYSA-N 0 2 348.840 3.807 50 0 EHAALN COc1ccc(OC)c(NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000004660878 564013863 /nfs/dbraw/zinc/01/38/63/564013863.db2.gz QLLWYCFKHWFPBM-UHFFFAOYSA-N 0 2 343.404 3.658 50 0 EHAALN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000006706879 564014956 /nfs/dbraw/zinc/01/49/56/564014956.db2.gz JFFNIPTVTGLZRU-UHFFFAOYSA-N 0 2 347.223 3.506 50 0 EHAALN O=C([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000263565240 564058143 /nfs/dbraw/zinc/05/81/43/564058143.db2.gz FJLVCLLRILIBDX-QGZVFWFLSA-N 0 2 349.789 3.751 50 0 EHAALN O=C([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000263565240 564058144 /nfs/dbraw/zinc/05/81/44/564058144.db2.gz FJLVCLLRILIBDX-QGZVFWFLSA-N 0 2 349.789 3.751 50 0 EHAALN O=C([O-])c1ccc(N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)[nH+]c1 ZINC000067895088 564075020 /nfs/dbraw/zinc/07/50/20/564075020.db2.gz FXNJGWGHXINWEE-MRXNPFEDSA-N 0 2 348.406 3.554 50 0 EHAALN Cc1nnc(-c2csc(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)o1 ZINC000065098566 564101095 /nfs/dbraw/zinc/10/10/95/564101095.db2.gz REKCMEMYBDEVNA-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1nsc2ncc(C(=O)c3cc(Br)ccc3O)cc12 ZINC000010025152 564111025 /nfs/dbraw/zinc/11/10/25/564111025.db2.gz CESAQZSUBSVTFB-UHFFFAOYSA-N 0 2 349.209 3.699 50 0 EHAALN Cc1n[nH]c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1CC(C)C ZINC000095944040 564142142 /nfs/dbraw/zinc/14/21/42/564142142.db2.gz FSCRYEQRVZXYSG-UHFFFAOYSA-N 0 2 345.827 3.510 50 0 EHAALN Cc1[nH]nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1CC(C)C ZINC000095944040 564142143 /nfs/dbraw/zinc/14/21/43/564142143.db2.gz FSCRYEQRVZXYSG-UHFFFAOYSA-N 0 2 345.827 3.510 50 0 EHAALN Cc1ccc(Nc2nc(C[N@@H+]3CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000262332938 564153256 /nfs/dbraw/zinc/15/32/56/564153256.db2.gz YKFVTNFBCFDJEK-HNNXBMFYSA-N 0 2 331.441 3.634 50 0 EHAALN Cc1ccc(Nc2nc(C[N@H+]3CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000262332938 564153257 /nfs/dbraw/zinc/15/32/57/564153257.db2.gz YKFVTNFBCFDJEK-HNNXBMFYSA-N 0 2 331.441 3.634 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3C)s2)n[nH]1 ZINC000009686417 564174427 /nfs/dbraw/zinc/17/44/27/564174427.db2.gz XRIYFJPHPJAMKM-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN Cc1ccc2nc(Nc3ncc4c(n3)C[C@H](C)CC4=O)nc(C)c2c1 ZINC000010157460 201795169 /nfs/dbraw/zinc/79/51/69/201795169.db2.gz XHMDFOFSMPUHGP-NSHDSACASA-N 0 2 333.395 3.545 50 0 EHAALN Cc1csc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000028248762 202167676 /nfs/dbraw/zinc/16/76/76/202167676.db2.gz VVSDOVRPDNEIMC-UHFFFAOYSA-N 0 2 336.482 3.722 50 0 EHAALN CCCOC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1 ZINC000005898923 201361233 /nfs/dbraw/zinc/36/12/33/201361233.db2.gz SQFGBFBIJMOAJT-UHFFFAOYSA-N 0 2 340.331 3.858 50 0 biogenic EHAALN CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000003128430 563473549 /nfs/dbraw/zinc/47/35/49/563473549.db2.gz IDUVYRFOWMBTGD-UHFFFAOYSA-N 0 2 344.219 3.997 50 0 EHAALN CCCc1cc2c(cc1O)oc(=O)c(-c1ccc3c(c1)OCO3)c2O ZINC000005686281 563545587 /nfs/dbraw/zinc/54/55/87/563545587.db2.gz QZYZCUKSRGPQPV-UHFFFAOYSA-N 0 2 340.331 3.552 50 0 EHAALN C[C@H](Oc1cccnc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000097379060 563613109 /nfs/dbraw/zinc/61/31/09/563613109.db2.gz WPOREYBTPYCSCD-QMMMGPOBSA-N 0 2 327.167 3.500 50 0 EHAALN C[C@@H](C[NH2+][C@@H](c1cccc(Cl)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997522 563683837 /nfs/dbraw/zinc/68/38/37/563683837.db2.gz ASGIEMFZUXVBFN-BLLLJJGKSA-N 0 2 339.759 3.910 50 0 EHAALN C[C@@H](C[NH2+][C@@H](c1cccc(Cl)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997522 563683838 /nfs/dbraw/zinc/68/38/38/563683838.db2.gz ASGIEMFZUXVBFN-BLLLJJGKSA-N 0 2 339.759 3.910 50 0 EHAALN CCn1cc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cn1 ZINC000013948605 563732884 /nfs/dbraw/zinc/73/28/84/563732884.db2.gz RAEQSABHPBRXPQ-UHFFFAOYSA-N 0 2 335.473 3.951 50 0 EHAALN CCc1nc(C)c([C@H](C)N(C)Cc2nc(=O)c3sccc3[nH]2)s1 ZINC000096424497 563952021 /nfs/dbraw/zinc/95/20/21/563952021.db2.gz DDBIRWSXNZDJGJ-JTQLQIEISA-N 0 2 348.497 3.505 50 0 EHAALN O=C([O-])c1cccc(Cn2c[nH+]c(-c3ccccc3)c2[C@@H]2CCOC2)c1 ZINC000091694513 563975682 /nfs/dbraw/zinc/97/56/82/563975682.db2.gz CZRLQKIFAQRGRD-GOSISDBHSA-N 0 2 348.402 3.801 50 0 EHAALN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2ccno2)s1 ZINC000044901387 564027622 /nfs/dbraw/zinc/02/76/22/564027622.db2.gz MNINTOMFOXZUTM-UHFFFAOYSA-N 0 2 340.813 3.857 50 0 EHAALN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nccn2CC(C)C)cc1 ZINC000225529050 564047539 /nfs/dbraw/zinc/04/75/39/564047539.db2.gz NXPPWUGPMFOXSH-AWEZNQCLSA-N 0 2 335.473 3.853 50 0 EHAALN Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 ZINC000012574473 564059938 /nfs/dbraw/zinc/05/99/38/564059938.db2.gz FQHCPNRFBXCFEN-UHFFFAOYSA-N 0 2 335.392 3.642 50 0 EHAALN Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)c1C ZINC000001252433 564062758 /nfs/dbraw/zinc/06/27/58/564062758.db2.gz KTVHSHFZWPSNGC-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN Cc1ccc2c(C)nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc2c1 ZINC000001275371 564062848 /nfs/dbraw/zinc/06/28/48/564062848.db2.gz AVSLGHYAYPFNOO-UHFFFAOYSA-N 0 2 347.422 3.935 50 0 EHAALN O=[P@@]([O-])(O)[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949504 564079802 /nfs/dbraw/zinc/07/98/02/564079802.db2.gz IZVZWRXPGQHJMQ-CRAIPNDOSA-N 0 2 349.342 3.712 50 0 EHAALN O=[P@]([O-])(O)[C@@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949504 564079803 /nfs/dbraw/zinc/07/98/03/564079803.db2.gz IZVZWRXPGQHJMQ-CRAIPNDOSA-N 0 2 349.342 3.712 50 0 EHAALN O=C(NCCc1ccc(C(F)(F)F)cc1)c1c(O)cc(F)cc1F ZINC000066041591 564123482 /nfs/dbraw/zinc/12/34/82/564123482.db2.gz BRXUDTPJRWRLJN-UHFFFAOYSA-N 0 2 345.267 3.662 50 0 EHAALN COc1ccc(C[C@@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)cc1 ZINC000066047742 564123916 /nfs/dbraw/zinc/12/39/16/564123916.db2.gz RBSCKBFFAUUWFU-AWEZNQCLSA-N 0 2 347.361 3.526 50 0 EHAALN O=C(NCCc1ccccc1C(F)(F)F)c1c(O)cc(F)cc1F ZINC000066050304 564123958 /nfs/dbraw/zinc/12/39/58/564123958.db2.gz CTQYVKWWTCQBHX-UHFFFAOYSA-N 0 2 345.267 3.662 50 0 EHAALN Cc1nc2ccccc2c(SCc2nc(=O)c3sccc3[nH]2)n1 ZINC000008425059 564165217 /nfs/dbraw/zinc/16/52/17/564165217.db2.gz PJGQPEJILKMQAX-UHFFFAOYSA-N 0 2 340.433 3.529 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)s2)n[nH]1 ZINC000009686486 564174451 /nfs/dbraw/zinc/17/44/51/564174451.db2.gz YTXBZTHBYSRBAP-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000040155822 202181301 /nfs/dbraw/zinc/18/13/01/202181301.db2.gz KNFOOSXEQQDMCJ-OAHLLOKOSA-N 0 2 343.370 3.885 50 0 EHAALN O=S(=O)(Nc1cccc2cccnc21)c1cccc2cccnc21 ZINC000000175216 563252683 /nfs/dbraw/zinc/25/26/83/563252683.db2.gz GMSBWTPQXILZOK-UHFFFAOYSA-N 0 2 335.388 3.584 50 0 EHAALN COc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000000465136 563328054 /nfs/dbraw/zinc/32/80/54/563328054.db2.gz SESRYSWDEPBFQB-UHFFFAOYSA-N 0 2 332.208 3.803 50 0 EHAALN CSc1ccccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000002770677 563450276 /nfs/dbraw/zinc/45/02/76/563450276.db2.gz YBRMJNYNDSJRDP-UHFFFAOYSA-N 0 2 330.434 3.758 50 0 EHAALN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 ZINC000008714753 563636722 /nfs/dbraw/zinc/63/67/22/563636722.db2.gz SZRBFRGVVHWBGN-UHFFFAOYSA-N 0 2 340.832 3.633 50 0 EHAALN CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1Cc1cccc2ccccc21 ZINC000018240673 563851391 /nfs/dbraw/zinc/85/13/91/563851391.db2.gz RWEOPSULUDRVEY-LJQANCHMSA-N 0 2 344.418 3.828 50 0 EHAALN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c2ccccc12 ZINC000041095712 563924288 /nfs/dbraw/zinc/92/42/88/563924288.db2.gz BXGNRQJAPOLKJN-UHFFFAOYSA-N 0 2 348.811 3.698 50 0 EHAALN Cc1cccc(NC2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)c1 ZINC000180059891 564008178 /nfs/dbraw/zinc/00/81/78/564008178.db2.gz HXHCWYLBGXZHIB-UHFFFAOYSA-N 0 2 346.377 3.696 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2cc(-c3ccnn3C)cs2)c1C ZINC000065112344 564101296 /nfs/dbraw/zinc/10/12/96/564101296.db2.gz YYSQYOWLAYNFPJ-UHFFFAOYSA-N 0 2 347.465 3.566 50 0 EHAALN CCOC(=O)c1ccc(-c2c(C)oc3cc(O)c(CC)cc3c2=O)o1 ZINC000004025172 564160077 /nfs/dbraw/zinc/16/00/77/564160077.db2.gz SUIRYMVHONJRHX-UHFFFAOYSA-N 0 2 342.347 3.806 50 0 biogenic EHAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3)s2)c1C ZINC000009686854 564174441 /nfs/dbraw/zinc/17/44/41/564174441.db2.gz PRUXNJBSTBZOHO-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN CCCn1nc(C)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000032609930 212817662 /nfs/dbraw/zinc/81/76/62/212817662.db2.gz CEEKYCPZBLGXDY-UHFFFAOYSA-N 0 2 329.425 3.556 50 0 EHAALN O=C([O-])CCCC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195559401 241009982 /nfs/dbraw/zinc/00/99/82/241009982.db2.gz PCQBPESYGIEBNB-AWEZNQCLSA-N 0 2 332.227 3.622 50 0 EHAALN O=C([O-])CCCC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195559401 241009986 /nfs/dbraw/zinc/00/99/86/241009986.db2.gz PCQBPESYGIEBNB-AWEZNQCLSA-N 0 2 332.227 3.622 50 0 EHAALN CSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 ZINC000002469449 201532921 /nfs/dbraw/zinc/53/29/21/201532921.db2.gz LQMNRHKTKLVRCJ-CQSZACIVSA-N 0 2 343.448 3.756 50 0 EHAALN c1cn(CCOc2cccc(C[NH2+][C@H]3CCOc4ccccc43)c2)c[nH+]1 ZINC000069869523 203057889 /nfs/dbraw/zinc/05/78/89/203057889.db2.gz FFLMAUARCJODLD-FQEVSTJZSA-N 0 2 349.434 3.576 50 0 EHAALN Cc1nc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000158507780 206195237 /nfs/dbraw/zinc/19/52/37/206195237.db2.gz KJNPHWZCEVGGGS-CQSZACIVSA-N 0 2 334.803 3.743 50 0 EHAALN Cc1nc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000158507780 206195239 /nfs/dbraw/zinc/19/52/39/206195239.db2.gz KJNPHWZCEVGGGS-CQSZACIVSA-N 0 2 334.803 3.743 50 0 EHAALN O=c1[nH]c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1 ZINC000011990969 207055026 /nfs/dbraw/zinc/05/50/26/207055026.db2.gz KGWPNIMQHLWWIA-UHFFFAOYSA-N 0 2 347.802 3.917 50 0 EHAALN O=S(=O)(Nc1ccccn1)c1cc(Cl)c(Cl)cc1Cl ZINC000000446157 563317060 /nfs/dbraw/zinc/31/70/60/563317060.db2.gz XTTJXJFYPKFDKV-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN Cc1ccc(CN(C(=O)CCc2cc(=O)[nH]o2)C2CCCC2)s1 ZINC000055342961 563934398 /nfs/dbraw/zinc/93/43/98/563934398.db2.gz HXHUURLJQIWMSP-UHFFFAOYSA-N 0 2 334.441 3.654 50 0 EHAALN Cc1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c(C)c1 ZINC000005925285 564057015 /nfs/dbraw/zinc/05/70/15/564057015.db2.gz ULLQJLDMRLWVHC-UHFFFAOYSA-N 0 2 344.461 3.650 50 0 EHAALN CC[C@H](C)[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F ZINC000278223739 564084574 /nfs/dbraw/zinc/08/45/74/564084574.db2.gz UQXHEBFDAIOSLM-ULHQUTTKSA-N 0 2 329.240 3.516 50 0 EHAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)o1 ZINC000065003798 564099433 /nfs/dbraw/zinc/09/94/33/564099433.db2.gz WWLCQIWMOCFVDI-UHFFFAOYSA-N 0 2 338.385 3.651 50 0 EHAALN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@@H](C(C)(C)C)CC1)c2=O ZINC000170629341 564110635 /nfs/dbraw/zinc/11/06/35/564110635.db2.gz PVENYKJZXYKLRA-CQSZACIVSA-N 0 2 341.455 3.932 50 0 EHAALN Cc1cccc(O)c1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000194241507 564120450 /nfs/dbraw/zinc/12/04/50/564120450.db2.gz LZTSMFUDIGQIAJ-UHFFFAOYSA-N 0 2 331.315 3.520 50 0 EHAALN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000263563873 564163955 /nfs/dbraw/zinc/16/39/55/564163955.db2.gz DPNRJENYAHONLL-CYBMUJFWSA-N 0 2 338.379 3.527 50 0 EHAALN O=C([O-])[C@H]1CCCC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000263563873 564163956 /nfs/dbraw/zinc/16/39/56/564163956.db2.gz DPNRJENYAHONLL-CYBMUJFWSA-N 0 2 338.379 3.527 50 0 EHAALN O=S(=O)(Cc1ccccc1C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000047940062 202588162 /nfs/dbraw/zinc/58/81/62/202588162.db2.gz XTSUMYHLCZFZTN-UHFFFAOYSA-N 0 2 340.326 3.556 50 0 EHAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3)s2)o1 ZINC000065003960 202823053 /nfs/dbraw/zinc/82/30/53/202823053.db2.gz YOINBDUENLBASJ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN CCc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000072414247 203218955 /nfs/dbraw/zinc/21/89/55/203218955.db2.gz AFXUSOZUMGMEJM-UHFFFAOYSA-N 0 2 342.420 3.607 50 0 EHAALN C[C@H](C[NH2+][C@@H](c1ccc(F)c(F)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997531 207264089 /nfs/dbraw/zinc/26/40/89/207264089.db2.gz VOOWOTDGINXRPG-BDJLRTHQSA-N 0 2 341.294 3.534 50 0 EHAALN C[C@H](C[NH2+][C@@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997531 207264093 /nfs/dbraw/zinc/26/40/93/207264093.db2.gz VOOWOTDGINXRPG-BDJLRTHQSA-N 0 2 341.294 3.534 50 0 EHAALN CCOc1ccc2nc(NS(=O)(=O)c3cccs3)sc2c1 ZINC000000620236 563361629 /nfs/dbraw/zinc/36/16/29/563361629.db2.gz OVBXVFMPVZOVCL-UHFFFAOYSA-N 0 2 340.451 3.557 50 0 EHAALN COc1cc2[nH]c(=S)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000003289695 563478779 /nfs/dbraw/zinc/47/87/79/563478779.db2.gz FIBFYPXKMSYKFM-UHFFFAOYSA-N 0 2 346.452 3.967 50 0 EHAALN C[C@@H](c1ccon1)[N@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000097259358 563981434 /nfs/dbraw/zinc/98/14/34/563981434.db2.gz GRDHPSWGBZWFFJ-LBPRGKRZSA-N 0 2 326.352 3.826 50 0 EHAALN C[C@@H](c1ccon1)[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000097259358 563981435 /nfs/dbraw/zinc/98/14/35/563981435.db2.gz GRDHPSWGBZWFFJ-LBPRGKRZSA-N 0 2 326.352 3.826 50 0 EHAALN COc1ccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071642 563982338 /nfs/dbraw/zinc/98/23/38/563982338.db2.gz LJBDMWRSXZASFZ-UHFFFAOYSA-N 0 2 349.415 3.678 50 0 EHAALN CCc1cccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031141 564099797 /nfs/dbraw/zinc/09/97/97/564099797.db2.gz AALNQQWQGDGRJZ-UHFFFAOYSA-N 0 2 334.422 3.766 50 0 EHAALN O=c1nc(CN(Cc2ccc(F)cc2F)C2CC2)[nH]c2ccsc21 ZINC000053131908 214165647 /nfs/dbraw/zinc/16/56/47/214165647.db2.gz OZZZOPBMDIRMQR-UHFFFAOYSA-N 0 2 347.390 3.840 50 0 EHAALN CCCCCCC(O)=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000101086368 219116379 /nfs/dbraw/zinc/11/63/79/219116379.db2.gz KBELPFXZFCESID-FOCLMDBBSA-N 0 2 344.411 3.669 50 0 EHAALN Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1 ZINC000101356711 219124196 /nfs/dbraw/zinc/12/41/96/219124196.db2.gz WYVQTSJWCZXENQ-IBGZPJMESA-N 0 2 330.391 3.687 50 0 EHAALN Cc1cc(C)cc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)c1 ZINC000067172783 215120904 /nfs/dbraw/zinc/12/09/04/215120904.db2.gz DEASTGAWLNZTCA-UHFFFAOYSA-N 0 2 349.358 3.668 50 0 EHAALN Cc1cc(Cl)cc2c(Nc3ccc(O)cc3)c(C(=O)[O-])c[nH+]c12 ZINC000019795507 212068596 /nfs/dbraw/zinc/06/85/96/212068596.db2.gz PMBSEXLXDXGRDZ-UHFFFAOYSA-N 0 2 328.755 3.766 50 0 EHAALN CCc1c(C)nc2[nH]c(SCc3ccccc3Cl)nn2c1=O ZINC000018240909 211992263 /nfs/dbraw/zinc/99/22/63/211992263.db2.gz YFODNVBZNLVQTH-UHFFFAOYSA-N 0 2 334.832 3.646 50 0 EHAALN CCOc1ccccc1CSCc1nc(=O)c2sccc2[nH]1 ZINC000009995877 211139602 /nfs/dbraw/zinc/13/96/02/211139602.db2.gz MICVHWZIMQWMCE-UHFFFAOYSA-N 0 2 332.450 3.817 50 0 EHAALN Cc1cccc(C)c1NC(=O)c1c(O)c2cccc3c2n(c1=O)[C@H](C)C3 ZINC000299738214 257986178 /nfs/dbraw/zinc/98/61/78/257986178.db2.gz KBTMJHKAXHWMEZ-CYBMUJFWSA-N 0 2 348.402 3.693 50 0 EHAALN O=S(=O)(Nc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1 ZINC000000382823 563300620 /nfs/dbraw/zinc/30/06/20/563300620.db2.gz NZRSTRUSBREQFC-UHFFFAOYSA-N 0 2 342.207 3.671 50 0 EHAALN Cc1ccc(S(=O)(=O)c2c[nH]c3c(F)cccc3c2=O)cc1C ZINC000096511489 563980841 /nfs/dbraw/zinc/98/08/41/563980841.db2.gz CZBNZGDBKDUQCC-UHFFFAOYSA-N 0 2 331.368 3.529 50 0 EHAALN O=C(NC1(c2csc([C@@H]3CCCO3)n2)CCCCC1)C(F)(F)F ZINC000408524396 563993272 /nfs/dbraw/zinc/99/32/72/563993272.db2.gz TZAFVXLYIVCVFP-JTQLQIEISA-N 0 2 348.390 3.833 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1C ZINC000075351823 564082034 /nfs/dbraw/zinc/08/20/34/564082034.db2.gz XBPMDZZRFWTKSE-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1ccc(O)c(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000065564926 564107062 /nfs/dbraw/zinc/10/70/62/564107062.db2.gz NGZZBXNJZFASQV-UHFFFAOYSA-N 0 2 339.416 3.753 50 0 EHAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc(C)cc2)s1 ZINC000096101762 564145253 /nfs/dbraw/zinc/14/52/53/564145253.db2.gz PGXJZSXHPOYCQO-UHFFFAOYSA-N 0 2 349.481 3.937 50 0 EHAALN Cc1cnc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cn1 ZINC000095448229 218392314 /nfs/dbraw/zinc/39/23/14/218392314.db2.gz DYKWCBPECVTEIY-UHFFFAOYSA-N 0 2 332.574 3.703 50 0 EHAALN O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1 ZINC000000470448 563330779 /nfs/dbraw/zinc/33/07/79/563330779.db2.gz ROKZYXRZNANQRQ-UHFFFAOYSA-N 0 2 330.843 3.812 50 0 EHAALN O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3ccccc3Cl)cc2)[NH2+]1 ZINC000002472427 563433457 /nfs/dbraw/zinc/43/34/57/563433457.db2.gz CYMVBODYZNMIRO-JKSUJKDBSA-N 0 2 349.839 3.707 50 0 EHAALN CC1CCC([NH2+]C[C@@H]2CCCc3ccccc32)([P@@](=O)([O-])O)CC1 ZINC000012997518 563683824 /nfs/dbraw/zinc/68/38/24/563683824.db2.gz LHAYQZYNMMRRSK-HQVVEAJESA-N 0 2 337.400 3.780 50 0 EHAALN CC1CCC([NH2+]C[C@@H]2CCCc3ccccc32)([P@](=O)([O-])O)CC1 ZINC000012997518 563683826 /nfs/dbraw/zinc/68/38/26/563683826.db2.gz LHAYQZYNMMRRSK-HQVVEAJESA-N 0 2 337.400 3.780 50 0 EHAALN S=c1[nH]nc(CSCCOc2ccc(Cl)cc2Cl)o1 ZINC000015919728 563799629 /nfs/dbraw/zinc/79/96/29/563799629.db2.gz UHSRBUVMLVJEMW-UHFFFAOYSA-N 0 2 337.253 3.977 50 0 EHAALN C[NH+]1CCC(O)(Cn2c[nH+]c(-c3ccccc3)c2CC(C)(C)C)CC1 ZINC000065405319 563960044 /nfs/dbraw/zinc/96/00/44/563960044.db2.gz KBJKQVYICWKRDX-UHFFFAOYSA-N 0 2 341.499 3.595 50 0 EHAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(F)cc1)CCC3 ZINC000017068349 564024828 /nfs/dbraw/zinc/02/48/28/564024828.db2.gz WCJZBIBOLNCDGC-UHFFFAOYSA-N 0 2 332.425 3.797 50 0 EHAALN COc1ccccc1-c1noc(-c2c[nH]c3ccc(C)cc3c2=O)n1 ZINC000075352733 564082004 /nfs/dbraw/zinc/08/20/04/564082004.db2.gz LDMVUPCAVWXXKU-UHFFFAOYSA-N 0 2 333.347 3.562 50 0 EHAALN CC(C)c1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)on2)c1 ZINC000253430004 564131323 /nfs/dbraw/zinc/13/13/23/564131323.db2.gz JILWXWGIHKZMHM-UHFFFAOYSA-N 0 2 343.408 3.661 50 0 EHAALN O=C(C=Cc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000096257539 564146187 /nfs/dbraw/zinc/14/61/87/564146187.db2.gz IAQWHVZISLRDAN-UTCJRWHESA-N 0 2 349.843 3.805 50 0 EHAALN O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccccc1F ZINC000008036096 564162297 /nfs/dbraw/zinc/16/22/97/564162297.db2.gz BUDRMIIZFOHVMT-UHFFFAOYSA-N 0 2 342.804 3.890 50 0 EHAALN Cc1nc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3C)c2)no1 ZINC000021701760 212240990 /nfs/dbraw/zinc/24/09/90/212240990.db2.gz QOFNLKKDIIWWPB-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1nc(-c2csc(S(=O)(=O)Nc3cccc(C)c3C)c2)no1 ZINC000021701653 212240652 /nfs/dbraw/zinc/24/06/52/212240652.db2.gz VFBSWTBHQRTXNK-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Nc1ccccc1-c1nnc(SCc2ccccc2Cl)[nH]c1=O ZINC000018158020 211984879 /nfs/dbraw/zinc/98/48/79/211984879.db2.gz SUPNNYIHXAFQPL-UHFFFAOYSA-N 0 2 344.827 3.772 50 0 EHAALN Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)s1 ZINC000010556422 211181094 /nfs/dbraw/zinc/18/10/94/211181094.db2.gz YUWJJVNQTHEKFH-UHFFFAOYSA-N 0 2 341.421 3.704 50 0 EHAALN CC(C)C[C@H](O)C1CC[NH+](Cc2cnc(CC3CCCC3)[nH]2)CC1 ZINC000077505297 563970062 /nfs/dbraw/zinc/97/00/62/563970062.db2.gz QQCOYFJJSUDGRG-IBGZPJMESA-N 0 2 333.520 3.761 50 0 EHAALN O=[P@@]([O-])(O)[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949499 564079814 /nfs/dbraw/zinc/07/98/14/564079814.db2.gz IZVZWRXPGQHJMQ-MAUKXSAKSA-N 0 2 349.342 3.712 50 0 EHAALN O=[P@]([O-])(O)[C@@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949499 564079815 /nfs/dbraw/zinc/07/98/15/564079815.db2.gz IZVZWRXPGQHJMQ-MAUKXSAKSA-N 0 2 349.342 3.712 50 0 EHAALN Clc1cccc(-c2n[nH]cc2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648767 564089074 /nfs/dbraw/zinc/08/90/74/564089074.db2.gz XKYZNDVFTQFXPE-UHFFFAOYSA-N 0 2 341.846 3.764 50 0 EHAALN Cc1cc(O)c(C(=O)C=Cc2ccc(-c3ccccc3)cc2)c(=O)o1 ZINC000034705144 1129823451 /nfs/dbraw/zinc/82/34/51/1129823451.db2.gz AYDSXJQLMORBSH-DBBZSVRUSA-N 0 2 332.355 3.582 50 0 EHAALN CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cc(=O)[nH]o1 ZINC000055393476 214318341 /nfs/dbraw/zinc/31/83/41/214318341.db2.gz USANBFHWJGJUHC-GFCCVEGCSA-N 0 2 336.819 3.794 50 0 EHAALN O=C1CC(c2ccccc2)=NN1c1c(F)c(F)c(F)c(F)c1F ZINC000004256612 210153840 /nfs/dbraw/zinc/15/38/40/210153840.db2.gz BBPPNBUQQSQIGV-UHFFFAOYSA-N 0 2 326.224 3.523 50 0 EHAALN O=c1cc(-c2ccccc2)[nH]n1-c1c(F)c(F)c(F)c(F)c1F ZINC000004256612 210153845 /nfs/dbraw/zinc/15/38/45/210153845.db2.gz BBPPNBUQQSQIGV-UHFFFAOYSA-N 0 2 326.224 3.523 50 0 EHAALN CCOc1ccccc1NC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000009728735 211119077 /nfs/dbraw/zinc/11/90/77/211119077.db2.gz LHTBRLFKMXMPKB-UHFFFAOYSA-N 0 2 335.363 3.620 50 0 EHAALN CC(C)C/C=C(\C[N@@H+]1CCn2nc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000065490872 563961528 /nfs/dbraw/zinc/96/15/28/563961528.db2.gz DJXSEODFLYTSQO-RQZCQDPDSA-N 0 2 339.439 3.527 50 0 EHAALN CC(C)C/C=C(\C[N@H+]1CCn2nc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000065490872 563961529 /nfs/dbraw/zinc/96/15/29/563961529.db2.gz DJXSEODFLYTSQO-RQZCQDPDSA-N 0 2 339.439 3.527 50 0 EHAALN Cc1ccc(C(=O)COC(=O)c2cc(F)c(O)c(Cl)c2)cc1C ZINC000225664505 564049199 /nfs/dbraw/zinc/04/91/99/564049199.db2.gz HKPBNYPTQNXXNI-UHFFFAOYSA-N 0 2 336.746 3.841 50 0 EHAALN O=[P@@]([O-])(O)[C@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949508 564079773 /nfs/dbraw/zinc/07/97/73/564079773.db2.gz IZVZWRXPGQHJMQ-QAPCUYQASA-N 0 2 349.342 3.712 50 0 EHAALN O=[P@]([O-])(O)[C@H]([NH2+]C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949508 564079774 /nfs/dbraw/zinc/07/97/74/564079774.db2.gz IZVZWRXPGQHJMQ-QAPCUYQASA-N 0 2 349.342 3.712 50 0 EHAALN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(-c2ccccc2)on1 ZINC000075093574 564080022 /nfs/dbraw/zinc/08/00/22/564080022.db2.gz RHTUMZLQDRJUSL-UHFFFAOYSA-N 0 2 332.356 3.590 50 0 EHAALN CC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006313323 564084478 /nfs/dbraw/zinc/08/44/78/564084478.db2.gz KMFVRRTUYKKCBG-UHFFFAOYSA-N 0 2 344.219 3.997 50 0 EHAALN Cc1nc(-c2csc(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)no1 ZINC000021701779 212240073 /nfs/dbraw/zinc/24/00/73/212240073.db2.gz CGSQPJWHJRJPGI-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN COc1ccc(C)cc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000012536055 258054729 /nfs/dbraw/zinc/05/47/29/258054729.db2.gz PAGORBIOBXUGPK-UHFFFAOYSA-N 0 2 342.420 3.661 50 0 EHAALN O=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc(F)cc1F ZINC000009468764 471717188 /nfs/dbraw/zinc/71/71/88/471717188.db2.gz MNQJUIQNMOABIO-UHFFFAOYSA-N 0 2 344.339 3.514 50 0 EHAALN CCCCc1c(O)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O ZINC000002031198 563418689 /nfs/dbraw/zinc/41/86/89/563418689.db2.gz BDXKIVHGIVLZBS-UHFFFAOYSA-N 0 2 336.391 3.993 50 0 EHAALN Cc1ccc(C2=NN(c3cc(C)nc(-c4ccccc4)n3)C(=O)C2)cc1 ZINC000005363044 564003086 /nfs/dbraw/zinc/00/30/86/564003086.db2.gz NORFLGQSEYFWFW-UHFFFAOYSA-N 0 2 342.402 3.901 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2ccno2)cs1 ZINC000044893508 564027521 /nfs/dbraw/zinc/02/75/21/564027521.db2.gz OTLRRQHXIDZDFG-UHFFFAOYSA-N 0 2 340.813 3.857 50 0 EHAALN CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)s1 ZINC000083825527 564063497 /nfs/dbraw/zinc/06/34/97/564063497.db2.gz JNMMRTMDKLLVMQ-UHFFFAOYSA-N 0 2 344.889 3.831 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c(C)c1 ZINC000075351841 564082011 /nfs/dbraw/zinc/08/20/11/564082011.db2.gz FYKLFAMGRJBWJD-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1cc(C)c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)[nH+]1 ZINC000263110161 564159771 /nfs/dbraw/zinc/15/97/71/564159771.db2.gz VQGXBKVDKJAZGS-UHFFFAOYSA-N 0 2 327.384 3.668 50 0 EHAALN CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cc(=O)[nH]o1 ZINC000055393477 214317850 /nfs/dbraw/zinc/31/78/50/214317850.db2.gz USANBFHWJGJUHC-LBPRGKRZSA-N 0 2 336.819 3.794 50 0 EHAALN Cc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 ZINC000072238574 216077965 /nfs/dbraw/zinc/07/79/65/216077965.db2.gz BTJSFUBFMMKOJY-UHFFFAOYSA-N 0 2 327.771 3.996 50 0 EHAALN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414261 216204711 /nfs/dbraw/zinc/20/47/11/216204711.db2.gz INTPMFSTHZEBAO-UHFFFAOYSA-N 0 2 342.420 3.661 50 0 EHAALN Cc1ccc2nc(Nc3ncc4c(n3)C[C@@H](C)CC4=O)nc(C)c2c1 ZINC000010157461 211151729 /nfs/dbraw/zinc/15/17/29/211151729.db2.gz XHMDFOFSMPUHGP-LLVKDONJSA-N 0 2 333.395 3.545 50 0 EHAALN O=S(=O)(Nc1ccccn1)c1ccc(C(F)(F)F)cc1Cl ZINC000000107023 471324393 /nfs/dbraw/zinc/32/43/93/471324393.db2.gz SIVSDSCNQXXWEB-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN Cc1[nH+]c2cc(C(=O)[O-])ccc2n1-c1ccc(Br)cc1 ZINC000000266816 563268727 /nfs/dbraw/zinc/26/87/27/563268727.db2.gz KYXHXVCKYFDHMK-UHFFFAOYSA-N 0 2 331.169 3.795 50 0 EHAALN CC(=O)Oc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000000313496 563281720 /nfs/dbraw/zinc/28/17/20/563281720.db2.gz SBHQCVVFIQJANM-UHFFFAOYSA-N 0 2 340.162 3.877 50 0 EHAALN O=S(=O)(Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000002877142 563460194 /nfs/dbraw/zinc/46/01/94/563460194.db2.gz CMRQWUAUYLSYTJ-UHFFFAOYSA-N 0 2 338.841 3.892 50 0 EHAALN COc1ccc(Cc2nnc(Nc3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000013139103 563690867 /nfs/dbraw/zinc/69/08/67/563690867.db2.gz RTESBNOPOFGRAQ-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN C[N@H+](Cc1csc(-c2cccs2)n1)Cc1ncccc1C(=O)[O-] ZINC000065461865 563961130 /nfs/dbraw/zinc/96/11/30/563961130.db2.gz IEDLLFPZDNQYFH-UHFFFAOYSA-N 0 2 345.449 3.597 50 0 EHAALN C[N@@H+](Cc1csc(-c2cccs2)n1)Cc1ncccc1C(=O)[O-] ZINC000065461865 563961131 /nfs/dbraw/zinc/96/11/31/563961131.db2.gz IEDLLFPZDNQYFH-UHFFFAOYSA-N 0 2 345.449 3.597 50 0 EHAALN O=S(=O)(Nc1cccc2c[nH]nc21)c1cc(Cl)ccc1Cl ZINC000001427078 564066809 /nfs/dbraw/zinc/06/68/09/564066809.db2.gz PEEUUEJUZITNPC-UHFFFAOYSA-N 0 2 342.207 3.671 50 0 EHAALN CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21 ZINC000001430500 564066950 /nfs/dbraw/zinc/06/69/50/564066950.db2.gz ZTJMOXLHGBTJME-UHFFFAOYSA-N 0 2 332.375 3.603 50 0 EHAALN Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000075351824 564082022 /nfs/dbraw/zinc/08/20/22/564082022.db2.gz GOISLAWJHYGBHS-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN c1cn(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)c[nH+]1 ZINC000092659307 564089079 /nfs/dbraw/zinc/08/90/79/564089079.db2.gz LYMLJLNJRPEJII-UHFFFAOYSA-N 0 2 348.450 3.694 50 0 EHAALN Cc1nc(-c2ccc(NS(=O)(=O)c3cccs3)cc2)cs1 ZINC000007726290 564122305 /nfs/dbraw/zinc/12/23/05/564122305.db2.gz VAUKSGCOUWPHCU-UHFFFAOYSA-N 0 2 336.463 3.981 50 0 EHAALN Cc1noc(Cl)c1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000095943481 564142095 /nfs/dbraw/zinc/14/20/95/564142095.db2.gz FWOMAXCCUOHWAS-UHFFFAOYSA-N 0 2 335.574 3.830 50 0 EHAALN CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000096405653 564147311 /nfs/dbraw/zinc/14/73/11/564147311.db2.gz RJRDEHYHZIPBCB-UHFFFAOYSA-N 0 2 328.368 3.703 50 0 EHAALN CC(C)c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)no1 ZINC000170651095 1033403110 /nfs/dbraw/zinc/40/31/10/1033403110.db2.gz BEJVEDYBVDTADE-BQYQJAHWSA-N 0 2 326.805 3.864 50 0 EHAALN Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c1C ZINC000100326513 219097048 /nfs/dbraw/zinc/09/70/48/219097048.db2.gz DHTWTPYFEAWZTN-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C ZINC000000384699 209563260 /nfs/dbraw/zinc/56/32/60/209563260.db2.gz SRRAUJLURFUOQT-UHFFFAOYSA-N 0 2 340.832 3.551 50 0 EHAALN COc1cccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000016777450 211933885 /nfs/dbraw/zinc/93/38/85/211933885.db2.gz OSRVBCGKXIMSHV-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3)s2)n[nH]1 ZINC000009686598 211113197 /nfs/dbraw/zinc/11/31/97/211113197.db2.gz SHLYMSMBSYPEJK-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN O=C(c1ccccc1)c1cc(C(=O)c2ccccc2O)cn2ccnc12 ZINC000009114662 211041762 /nfs/dbraw/zinc/04/17/62/211041762.db2.gz QCZKFLPHRDSUNV-UHFFFAOYSA-N 0 2 342.354 3.502 50 0 EHAALN O=S(=O)(Nc1nc2ccccc2s1)c1cccc2cccnc21 ZINC000000271820 563270080 /nfs/dbraw/zinc/27/00/80/563270080.db2.gz JFRWRNHOJWVDLQ-UHFFFAOYSA-N 0 2 341.417 3.645 50 0 EHAALN Fc1ccc(F)c(-c2csc(Nc3ncnc4nccnc43)n2)c1 ZINC000097229572 563970652 /nfs/dbraw/zinc/97/06/52/563970652.db2.gz XSLNFZVAFZYZDM-UHFFFAOYSA-N 0 2 342.334 3.565 50 0 EHAALN O=c1c2cccc(F)c2[nH]cc1S(=O)(=O)c1cccc(Cl)c1 ZINC000096511490 563980836 /nfs/dbraw/zinc/98/08/36/563980836.db2.gz WDZHOTRHJLPROK-UHFFFAOYSA-N 0 2 337.759 3.566 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCCC[C@H]1C)c2=O ZINC000000425244 563998935 /nfs/dbraw/zinc/99/89/35/563998935.db2.gz ISKIQBBLHZBAII-QMTHXVAHSA-N 0 2 332.425 3.597 50 0 EHAALN CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1O ZINC000170623995 564017308 /nfs/dbraw/zinc/01/73/08/564017308.db2.gz MXKZNIXTGNGSKT-UHFFFAOYSA-N 0 2 341.816 3.554 50 0 EHAALN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O ZINC000170623992 564017315 /nfs/dbraw/zinc/01/73/15/564017315.db2.gz KHGSAPGZRRBSCR-UHFFFAOYSA-N 0 2 335.425 3.633 50 0 EHAALN O=C(N[C@@H](c1ccco1)c1ccccc1)c1c(O)cc(F)cc1F ZINC000084525054 564068540 /nfs/dbraw/zinc/06/85/40/564068540.db2.gz LTSJRRIREHGFOT-QGZVFWFLSA-N 0 2 329.302 3.783 50 0 EHAALN CCOc1ccccc1-c1noc(-c2c[nH]c3ccccc3c2=O)n1 ZINC000075352723 564082018 /nfs/dbraw/zinc/08/20/18/564082018.db2.gz BIAPYGJJZHFKBA-UHFFFAOYSA-N 0 2 333.347 3.644 50 0 EHAALN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000007109357 564104977 /nfs/dbraw/zinc/10/49/77/564104977.db2.gz VKBGDNSTFIYJRU-UHFFFAOYSA-N 0 2 347.845 3.610 50 0 EHAALN Cc1cc2cc(NS(=O)(=O)c3ccc(F)c(F)c3F)ccc2[nH]1 ZINC000031721920 564159775 /nfs/dbraw/zinc/15/97/75/564159775.db2.gz ZVFFQZVNQYBPOX-UHFFFAOYSA-N 0 2 340.326 3.694 50 0 EHAALN C[C@H](c1cc(F)ccc1F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000053125899 214164561 /nfs/dbraw/zinc/16/45/61/214164561.db2.gz SQHSNBORJZEJHD-SECBINFHSA-N 0 2 335.379 3.868 50 0 EHAALN O=c1nc(CN2CCC[C@@H]2c2cccc(F)c2)[nH]c2ccsc21 ZINC000053717989 214194917 /nfs/dbraw/zinc/19/49/17/214194917.db2.gz YWXOHHRQNPWWHT-CQSZACIVSA-N 0 2 329.400 3.873 50 0 EHAALN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1Oc1ccccc1 ZINC000003566279 210055870 /nfs/dbraw/zinc/05/58/70/210055870.db2.gz ATXRUBBOGSGABU-UHFFFAOYSA-N 0 2 343.408 3.620 50 0 EHAALN Cc1cc2sc(NS(=O)(=O)C=Cc3ccccc3)nc2c(C)c1 ZINC000037492447 213149211 /nfs/dbraw/zinc/14/92/11/213149211.db2.gz WAXVBIVKIMADOH-HJWRWDBZSA-N 0 2 344.461 3.748 50 0 EHAALN O=C(NCc1ccccc1C(F)(F)F)c1ccn(C2CCCC2)n1 ZINC000028575698 212626901 /nfs/dbraw/zinc/62/69/01/212626901.db2.gz GJXZIEWPCIKXMU-UHFFFAOYSA-N 0 2 337.345 3.947 50 0 EHAALN Cc1ccc2nc(-c3ccc(Nc4nncc(=O)[nH]4)cc3)sc2c1 ZINC000005009203 210360160 /nfs/dbraw/zinc/36/01/60/210360160.db2.gz XPVNPVCDMQVPKP-UHFFFAOYSA-N 0 2 335.392 3.906 50 0 EHAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1 ZINC000000569134 258048733 /nfs/dbraw/zinc/04/87/33/258048733.db2.gz FZZRVMVUJIHKTB-UHFFFAOYSA-N 0 2 341.219 3.826 50 0 EHAALN CCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(C)C ZINC000011565836 258054352 /nfs/dbraw/zinc/05/43/52/258054352.db2.gz CNUFNRWAHYDOSS-UHFFFAOYSA-N 0 2 334.441 3.795 50 0 EHAALN CCOc1cc(NS(=O)(=O)c2cccs2)ccc1OC(F)F ZINC000002789719 563613472 /nfs/dbraw/zinc/61/34/72/563613472.db2.gz SBSPGUPJARBRTD-UHFFFAOYSA-N 0 2 349.380 3.549 50 0 EHAALN CCCOc1ccc2cc(S(=O)(=O)Nc3ccccn3)ccc2c1 ZINC000016652509 563819376 /nfs/dbraw/zinc/81/93/76/563819376.db2.gz OSDRMMHSAAVONQ-UHFFFAOYSA-N 0 2 342.420 3.824 50 0 EHAALN CCn1c(O)c(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 ZINC000005686891 564018730 /nfs/dbraw/zinc/01/87/30/564018730.db2.gz WUVFEBIFORYHOW-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2c(C)cccc2C)c1=O ZINC000005686891 564018731 /nfs/dbraw/zinc/01/87/31/564018731.db2.gz WUVFEBIFORYHOW-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN O=c1[nH]c2ccccc2c(O)c1-c1cc2cc(Cl)ccc2oc1=O ZINC000107918140 564027129 /nfs/dbraw/zinc/02/71/29/564027129.db2.gz XUAVGHPAIXVYCG-UHFFFAOYSA-N 0 2 339.734 3.661 50 0 EHAALN c1cn(C2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)c[nH+]1 ZINC000092648837 564089028 /nfs/dbraw/zinc/08/90/28/564089028.db2.gz QFQBUWWKXIUDNN-UHFFFAOYSA-N 0 2 348.450 3.694 50 0 EHAALN C[C@@H]1CCC[N@@H+](c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589246 564092570 /nfs/dbraw/zinc/09/25/70/564092570.db2.gz PMZAXQJBLXNOAJ-CYBMUJFWSA-N 0 2 330.428 3.750 50 0 EHAALN C[C@@H]1CCC[N@H+](c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589246 564092571 /nfs/dbraw/zinc/09/25/71/564092571.db2.gz PMZAXQJBLXNOAJ-CYBMUJFWSA-N 0 2 330.428 3.750 50 0 EHAALN Cc1ccc(C)c(NS(=O)(=O)c2cc(-c3ccnn3C)cs2)c1 ZINC000065112360 564101305 /nfs/dbraw/zinc/10/13/05/564101305.db2.gz WXILMQWKIWETRT-UHFFFAOYSA-N 0 2 347.465 3.566 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)on1 ZINC000007005517 564102989 /nfs/dbraw/zinc/10/29/89/564102989.db2.gz KHLHZBXRLBLFKI-UHFFFAOYSA-N 0 2 338.385 3.651 50 0 EHAALN CCCn1c2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C ZINC000028233033 564150767 /nfs/dbraw/zinc/15/07/67/564150767.db2.gz WKRFQPYJIAXWPK-UHFFFAOYSA-N 0 2 343.452 3.864 50 0 EHAALN COc1ccc(F)cc1CSCc1nc(=O)c2sccc2[nH]1 ZINC000071862864 564176125 /nfs/dbraw/zinc/17/61/25/564176125.db2.gz WSFFCZYKUGCXTF-UHFFFAOYSA-N 0 2 336.413 3.566 50 0 EHAALN COc1ccc(-c2csc(N3N=C(c4ccccc4)CC3=O)n2)cc1 ZINC000004611500 210232057 /nfs/dbraw/zinc/23/20/57/210232057.db2.gz VQHNRTPXTADKEI-UHFFFAOYSA-N 0 2 349.415 3.960 50 0 EHAALN COc1ccc(-c2csc(-n3[nH]c(-c4ccccc4)cc3=O)n2)cc1 ZINC000004611500 210232063 /nfs/dbraw/zinc/23/20/63/210232063.db2.gz VQHNRTPXTADKEI-UHFFFAOYSA-N 0 2 349.415 3.960 50 0 EHAALN Cc1ccc(C2=CCN(Cc3nc(=O)c4sccc4[nH]3)CC2)cc1 ZINC000035269410 213016753 /nfs/dbraw/zinc/01/67/53/213016753.db2.gz VYRQCBXSRMTILY-UHFFFAOYSA-N 0 2 337.448 3.995 50 0 EHAALN COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000243054 209500705 /nfs/dbraw/zinc/50/07/05/209500705.db2.gz YEZNWJXSLILKQG-UHFFFAOYSA-N 0 2 332.208 3.803 50 0 EHAALN COc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000010301972 211161368 /nfs/dbraw/zinc/16/13/68/211161368.db2.gz ISZVCWFCRPPHSR-UHFFFAOYSA-N 0 2 349.305 3.654 50 0 EHAALN CCc1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000000479290 563335769 /nfs/dbraw/zinc/33/57/69/563335769.db2.gz VPFPHHWZJNBWBM-UHFFFAOYSA-N 0 2 346.271 3.874 50 0 EHAALN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccn1 ZINC000012560783 563663182 /nfs/dbraw/zinc/66/31/82/563663182.db2.gz PWOYBQQSCJYGTJ-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN O=C(c1cnn(-c2ccc(F)cc2F)c1)c1cc(Cl)ccc1O ZINC000015232225 563780394 /nfs/dbraw/zinc/78/03/94/563780394.db2.gz KLOIRBLVUHVSBC-UHFFFAOYSA-N 0 2 334.709 3.741 50 0 EHAALN CC(C)(C)c1[nH]c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2[nH+]1 ZINC000012627314 564018763 /nfs/dbraw/zinc/01/87/63/564018763.db2.gz DGKIXDHTSZGRSW-UHFFFAOYSA-N 0 2 331.416 3.690 50 0 EHAALN O=C([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000263565239 564058155 /nfs/dbraw/zinc/05/81/55/564058155.db2.gz FJLVCLLRILIBDX-KRWDZBQOSA-N 0 2 349.789 3.751 50 0 EHAALN O=C([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000263565239 564058156 /nfs/dbraw/zinc/05/81/56/564058156.db2.gz FJLVCLLRILIBDX-KRWDZBQOSA-N 0 2 349.789 3.751 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2ccc(-c3nnc(C)o3)cc2)sc1C ZINC000091017891 564087146 /nfs/dbraw/zinc/08/71/46/564087146.db2.gz VSBDXAXQRGWPNR-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1 ZINC000100662851 219104448 /nfs/dbraw/zinc/10/44/48/219104448.db2.gz OLHPZSBYPKOUOW-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN CCCN(CCOc1c(Cl)cc(Cl)c(O)c1Cl)C(N)=O ZINC000072115173 216011172 /nfs/dbraw/zinc/01/11/72/216011172.db2.gz XPDKDQRDRFEEFU-UHFFFAOYSA-N 0 2 341.622 3.522 50 0 in-vitro EHAALN Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc1C ZINC000028580806 212626426 /nfs/dbraw/zinc/62/64/26/212626426.db2.gz MRFSEMXIVVERKW-HNNXBMFYSA-N 0 2 339.395 3.547 50 0 EHAALN O=C(Nc1ccccc1F)c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000072427479 216219757 /nfs/dbraw/zinc/21/97/57/216219757.db2.gz SRHWCMSTFHCJQN-UHFFFAOYSA-N 0 2 331.734 3.827 50 0 EHAALN COC(=O)c1c(SCc2cccc(C)c2)[nH]c2ccccc2c1=O ZINC000009300299 211063994 /nfs/dbraw/zinc/06/39/94/211063994.db2.gz XJAIMBWUCDLGNB-UHFFFAOYSA-N 0 2 339.416 3.915 50 0 EHAALN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncccc1C ZINC000004970509 210343788 /nfs/dbraw/zinc/34/37/88/210343788.db2.gz UVEBPRSVWPOVQM-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(Cl)c1Cl ZINC000000367682 563296815 /nfs/dbraw/zinc/29/68/15/563296815.db2.gz SPXRBVPGWYCXII-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN C[C@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccco4)c(=O)c23)C1 ZINC000002657875 563445215 /nfs/dbraw/zinc/44/52/15/563445215.db2.gz BJXCEZMOKJVGPI-VIFPVBQESA-N 0 2 332.450 3.887 50 0 EHAALN CCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)cc1C(C)(C)C ZINC000012560769 563663044 /nfs/dbraw/zinc/66/30/44/563663044.db2.gz VQASHXLKSQKISA-UHFFFAOYSA-N 0 2 348.468 3.887 50 0 EHAALN O=S(=O)(Nc1cccc(F)c1)c1cc(Cl)sc1Cl ZINC000014244780 563754797 /nfs/dbraw/zinc/75/47/97/563754797.db2.gz MOVFWMDLGKSLCU-UHFFFAOYSA-N 0 2 326.201 3.995 50 0 EHAALN COC(=O)c1c(SCc2ccccc2C)[nH]c2ccccc2c1=O ZINC000015731497 564072652 /nfs/dbraw/zinc/07/26/52/564072652.db2.gz HWJGDQLKVFTSNJ-UHFFFAOYSA-N 0 2 339.416 3.915 50 0 EHAALN Cc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031172 564099783 /nfs/dbraw/zinc/09/97/83/564099783.db2.gz SMMAUUFGZBHDCJ-UHFFFAOYSA-N 0 2 338.385 3.651 50 0 EHAALN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000006706768 564117466 /nfs/dbraw/zinc/11/74/66/564117466.db2.gz SJFDCLVBDJCYOR-UHFFFAOYSA-N 0 2 347.223 3.588 50 0 EHAALN Cc1ccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071585 219089881 /nfs/dbraw/zinc/08/98/81/219089881.db2.gz ROOOELOSXROGBG-UHFFFAOYSA-N 0 2 333.416 3.978 50 0 EHAALN CC1=NN(c2nc(C)cc(C)n2)C(=O)C1Cc1ccccc1Cl ZINC000101339183 219122278 /nfs/dbraw/zinc/12/22/78/219122278.db2.gz DOTWWUXOTSXBHF-UHFFFAOYSA-N 0 2 328.803 3.537 50 0 EHAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000021707341 212241600 /nfs/dbraw/zinc/24/16/00/212241600.db2.gz HICGVISOKMTPKF-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)s1 ZINC000020255899 212114785 /nfs/dbraw/zinc/11/47/85/212114785.db2.gz DAFLKSSPBUZLCH-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN Cc1ccc2nc(-c3ccc(Nc4nnc(C)c(=O)[nH]4)cc3)sc2c1 ZINC000011990577 211276033 /nfs/dbraw/zinc/27/60/33/211276033.db2.gz YZKWLOCNJJRVKZ-UHFFFAOYSA-N 0 2 349.419 3.802 50 0 EHAALN Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC000091690226 218047524 /nfs/dbraw/zinc/04/75/24/218047524.db2.gz HYRZKSBDSAVAIS-GOSISDBHSA-N 0 2 344.842 3.596 50 0 EHAALN CCOC(=O)c1[nH]c(-c2cccs2)nc1NC(=O)c1ccccc1 ZINC000033435929 563992084 /nfs/dbraw/zinc/99/20/84/563992084.db2.gz MHYIPYSSWGBFGS-UHFFFAOYSA-N 0 2 341.392 3.567 50 0 EHAALN CCOC(=O)c1nc(-c2cccs2)[nH]c1NC(=O)c1ccccc1 ZINC000033435929 563992085 /nfs/dbraw/zinc/99/20/85/563992085.db2.gz MHYIPYSSWGBFGS-UHFFFAOYSA-N 0 2 341.392 3.567 50 0 EHAALN Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1C ZINC000012559815 564059454 /nfs/dbraw/zinc/05/94/54/564059454.db2.gz BFNYWFGSADQIMM-UHFFFAOYSA-N 0 2 349.419 3.951 50 0 EHAALN O=C(Cc1csc(Nc2ncccn2)n1)Nc1cccc(Cl)c1 ZINC000044227681 564059810 /nfs/dbraw/zinc/05/98/10/564059810.db2.gz GURDWFNFTNTAPT-UHFFFAOYSA-N 0 2 345.815 3.511 50 0 EHAALN Cc1noc(C)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007054001 564103925 /nfs/dbraw/zinc/10/39/25/564103925.db2.gz SEOMMIHWSVNHPZ-UHFFFAOYSA-N 0 2 344.392 3.885 50 0 EHAALN CC1CCC(N(C)C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000170610221 564109767 /nfs/dbraw/zinc/10/97/67/564109767.db2.gz FPRLPYGCQIOXBC-UHFFFAOYSA-N 0 2 344.224 3.945 50 0 EHAALN O=c1nc(Cc2ncc(C(F)(F)F)cc2Cl)[nH]c2ccsc21 ZINC000053847516 214202668 /nfs/dbraw/zinc/20/26/68/214202668.db2.gz CDSIBGONPPUWDX-UHFFFAOYSA-N 0 2 345.733 3.643 50 0 EHAALN Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000004674036 210243205 /nfs/dbraw/zinc/24/32/05/210243205.db2.gz SGTRLBBNTAISRW-UHFFFAOYSA-N 0 2 346.271 3.928 50 0 EHAALN COc1cccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)c1 ZINC000072238551 216077279 /nfs/dbraw/zinc/07/72/79/216077279.db2.gz MVYSMGPJCGIGLB-UHFFFAOYSA-N 0 2 343.770 3.697 50 0 EHAALN COc1ccc(-c2c[nH]n3c2nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000009261219 211059528 /nfs/dbraw/zinc/05/95/28/211059528.db2.gz HBFRPEJLHJTVLJ-UHFFFAOYSA-N 0 2 345.402 3.597 50 0 EHAALN CCOCCCn1c(CCCCC(=O)[O-])[nH+]c2cc(Cl)ccc21 ZINC000095095658 218280901 /nfs/dbraw/zinc/28/09/01/218280901.db2.gz YEECMIOTLZFKAF-UHFFFAOYSA-N 0 2 338.835 3.914 50 0 EHAALN COCc1nc(C)c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 ZINC000159246888 533278019 /nfs/dbraw/zinc/27/80/19/533278019.db2.gz LNUOJBWVMRWUTF-UHFFFAOYSA-N 0 2 347.223 3.863 50 0 EHAALN CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C ZINC000008714629 563636346 /nfs/dbraw/zinc/63/63/46/563636346.db2.gz OVUOTIIFZJYNEP-UHFFFAOYSA-N 0 2 340.832 3.633 50 0 EHAALN COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2c1 ZINC000027587914 563897591 /nfs/dbraw/zinc/89/75/91/563897591.db2.gz VTTQFGGVHVLRIS-UHFFFAOYSA-N 0 2 348.811 3.698 50 0 EHAALN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000074826891 563967048 /nfs/dbraw/zinc/96/70/48/563967048.db2.gz RLEHVEZDLWRZSU-UHFFFAOYSA-N 0 2 342.420 3.661 50 0 EHAALN O=C(Nc1ccc(F)c(Cl)c1)C1=NN(c2ccccc2)CC1=O ZINC000084572839 564068737 /nfs/dbraw/zinc/06/87/37/564068737.db2.gz PLKBMUOBWIHUBM-UHFFFAOYSA-N 0 2 331.734 3.623 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1C ZINC000075351843 564082030 /nfs/dbraw/zinc/08/20/30/564082030.db2.gz NXMYQKBMUSVKTJ-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)s2)o1 ZINC000064920012 564097673 /nfs/dbraw/zinc/09/76/73/564097673.db2.gz XOBINCRKXFCQQB-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)[nH]n1 ZINC000170617506 564110164 /nfs/dbraw/zinc/11/01/64/564110164.db2.gz JXDQWAMWAVUQKB-GFCCVEGCSA-N 0 2 344.440 3.662 50 0 EHAALN Cc1cc(Cl)cc(NS(=O)(=O)c2cccc3cccnc32)c1O ZINC000072301046 216139978 /nfs/dbraw/zinc/13/99/78/216139978.db2.gz UGWUOZOTTFZRAM-UHFFFAOYSA-N 0 2 348.811 3.703 50 0 EHAALN CCn1nccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000028249370 212610895 /nfs/dbraw/zinc/61/08/95/212610895.db2.gz UYMSHUDUMINKAP-UHFFFAOYSA-N 0 2 333.457 3.752 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3c(C)cccc3C)s2)n[nH]1 ZINC000009686420 211113944 /nfs/dbraw/zinc/11/39/44/211113944.db2.gz YTZOWJCSQNDDPK-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cccs1 ZINC000008864722 211013510 /nfs/dbraw/zinc/01/35/10/211013510.db2.gz RVILMXPQIYAOED-UHFFFAOYSA-N 0 2 330.843 3.812 50 0 EHAALN CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncccc1C ZINC000004970494 210343342 /nfs/dbraw/zinc/34/33/42/210343342.db2.gz IHTPMPJFVSXCTB-UHFFFAOYSA-N 0 2 340.832 3.551 50 0 EHAALN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000126823408 563364517 /nfs/dbraw/zinc/36/45/17/563364517.db2.gz OZCVJTHIUNWCBX-UHFFFAOYSA-N 0 2 346.330 3.680 50 0 EHAALN CCCc1cc2c(cc1O)occ(-c1ccc(C(=O)OCC)o1)c2=O ZINC000005686282 563545527 /nfs/dbraw/zinc/54/55/27/563545527.db2.gz INYUCQJYWDBHML-UHFFFAOYSA-N 0 2 342.347 3.888 50 0 biogenic EHAALN Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c(C)c1 ZINC000075351844 564082008 /nfs/dbraw/zinc/08/20/08/564082008.db2.gz BOEDHEHZUFOTJG-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1SC ZINC000038556540 213214536 /nfs/dbraw/zinc/21/45/36/213214536.db2.gz NSNAQPAFTVDCPF-UHFFFAOYSA-N 0 2 343.857 3.871 50 0 EHAALN O=c1c2c3c(sc2[nH]c(=S)n1CCc1ccccc1)CCC3 ZINC000000503360 209638270 /nfs/dbraw/zinc/63/82/70/209638270.db2.gz VULGALACVZUJNW-UHFFFAOYSA-N 0 2 328.462 3.852 50 0 EHAALN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000000461418 209615471 /nfs/dbraw/zinc/61/54/71/209615471.db2.gz YQGOZXKEYZZVKC-UHFFFAOYSA-N 0 2 348.449 3.804 50 0 EHAALN COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccn2)cc1C(C)C ZINC000004970555 210343855 /nfs/dbraw/zinc/34/38/55/210343855.db2.gz DYGKTUBXXWRCOC-UHFFFAOYSA-N 0 2 334.441 3.631 50 0 EHAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncccc1C ZINC000008714963 563636758 /nfs/dbraw/zinc/63/67/58/563636758.db2.gz MSLKSBSKUGPURD-UHFFFAOYSA-N 0 2 348.468 3.887 50 0 EHAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccncc1)CCCCC3 ZINC000017071730 563834946 /nfs/dbraw/zinc/83/49/46/563834946.db2.gz XIIBBUYEQHJNHF-UHFFFAOYSA-N 0 2 343.477 3.833 50 0 EHAALN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc(F)c1 ZINC000012536244 564058378 /nfs/dbraw/zinc/05/83/78/564058378.db2.gz GENMMOVGALBPSI-UHFFFAOYSA-N 0 2 335.278 3.525 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1Cl ZINC000187740829 1131950174 /nfs/dbraw/zinc/95/01/74/1131950174.db2.gz LYZBHUWCWVYDSG-LLVKDONJSA-N 0 2 339.848 3.617 50 0 EHAALN O=c1nc(-c2cnccn2)[nH]c2cc(-c3cccc(Cl)c3)sc21 ZINC000054757198 214254250 /nfs/dbraw/zinc/25/42/50/214254250.db2.gz GYMCHRLEENQBKO-UHFFFAOYSA-N 0 2 340.795 3.762 50 0 EHAALN Cc1ccccc1-n1c(S)nc2c(-c3ccccc3)c[nH]c2c1=O ZINC000100071569 219090076 /nfs/dbraw/zinc/09/00/76/219090076.db2.gz BPEULQDHHORMKC-UHFFFAOYSA-N 0 2 333.416 3.978 50 0 EHAALN CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2)c1=O ZINC000100485709 219100507 /nfs/dbraw/zinc/10/05/07/219100507.db2.gz OSTYNJWCELHMRP-UHFFFAOYSA-N 0 2 336.391 3.760 50 0 biogenic,in-vitro EHAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccc(F)cc1 ZINC000101275622 219120905 /nfs/dbraw/zinc/12/09/05/219120905.db2.gz LEJZPFMRRFDXMO-UHFFFAOYSA-N 0 2 343.408 3.856 50 0 EHAALN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccccc1F ZINC000003371232 210019397 /nfs/dbraw/zinc/01/93/97/210019397.db2.gz QBSNSZUVPCTLFG-UHFFFAOYSA-N 0 2 329.780 3.597 50 0 EHAALN Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3)[nH]n2)cc1Cl ZINC000072238547 216077297 /nfs/dbraw/zinc/07/72/97/216077297.db2.gz TVYGBQCTHYCWEG-UHFFFAOYSA-N 0 2 327.771 3.996 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2ncccc2C)c(Cl)cc1Cl ZINC000019943271 212088142 /nfs/dbraw/zinc/08/81/42/212088142.db2.gz VUTBQVNMXXYEMM-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN Cc1cccc(OCCSCc2nc(=O)c3sccc3[nH]2)c1 ZINC000009603706 211107671 /nfs/dbraw/zinc/10/76/71/211107671.db2.gz VDXSEMHEHFJLCN-UHFFFAOYSA-N 0 2 332.450 3.605 50 0 EHAALN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(F)c(O)c(F)c1 ZINC000097377437 219019401 /nfs/dbraw/zinc/01/94/01/219019401.db2.gz KNXICDLVCKNPRT-UHFFFAOYSA-N 0 2 348.349 3.514 50 0 EHAALN COc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000000384613 563301263 /nfs/dbraw/zinc/30/12/63/563301263.db2.gz FLRXODWJBIBZFZ-UHFFFAOYSA-N 0 2 329.780 3.597 50 0 EHAALN O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccs1 ZINC000000471140 563331523 /nfs/dbraw/zinc/33/15/23/563331523.db2.gz NVAZLYXYMBEFKK-UHFFFAOYSA-N 0 2 347.248 3.887 50 0 EHAALN Cn1c2ccccc2nc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013163074 563691673 /nfs/dbraw/zinc/69/16/73/563691673.db2.gz OMUDOTYQCFSELD-UHFFFAOYSA-N 0 2 337.404 3.527 50 0 EHAALN CC(C)Nc1cccc(CNC(=O)c2cc(F)c(F)c(O)c2F)c1 ZINC000097112866 563967869 /nfs/dbraw/zinc/96/78/69/563967869.db2.gz VQHYIZOJPSLAKH-UHFFFAOYSA-N 0 2 338.329 3.560 50 0 EHAALN Cc1cc(NS(=O)(=O)c2ccc(C)cc2)n(-c2ccccc2C)n1 ZINC000018194742 564018690 /nfs/dbraw/zinc/01/86/90/564018690.db2.gz QCICRUYYMIUCSC-UHFFFAOYSA-N 0 2 341.436 3.598 50 0 EHAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)c1C ZINC000006914049 564033843 /nfs/dbraw/zinc/03/38/43/564033843.db2.gz IQBGYNMJUOGCAN-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)no1 ZINC000000806121 564116802 /nfs/dbraw/zinc/11/68/02/564116802.db2.gz RMYDGGWNVYNADF-UHFFFAOYSA-N 0 2 330.365 3.576 50 0 EHAALN O=c1nc(CN2CCC[C@H]2c2cccc(F)c2)[nH]c2ccsc21 ZINC000053717987 214194855 /nfs/dbraw/zinc/19/48/55/214194855.db2.gz YWXOHHRQNPWWHT-AWEZNQCLSA-N 0 2 329.400 3.873 50 0 EHAALN Cn1cc(-c2nc(=O)c3sc(-c4ccccc4Cl)cc3[nH]2)cn1 ZINC000054757253 214253832 /nfs/dbraw/zinc/25/38/32/214253832.db2.gz BXXYCYYICJCITM-UHFFFAOYSA-N 0 2 342.811 3.706 50 0 EHAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccccc1 ZINC000101275613 219120916 /nfs/dbraw/zinc/12/09/16/219120916.db2.gz XARPNRSJWYLOAW-UHFFFAOYSA-N 0 2 325.418 3.717 50 0 EHAALN O=C([O-])CCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195559399 241009885 /nfs/dbraw/zinc/00/98/85/241009885.db2.gz PCQBPESYGIEBNB-CQSZACIVSA-N 0 2 332.227 3.622 50 0 EHAALN O=C([O-])CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195559399 241009889 /nfs/dbraw/zinc/00/98/89/241009889.db2.gz PCQBPESYGIEBNB-CQSZACIVSA-N 0 2 332.227 3.622 50 0 EHAALN O=C([O-])c1cccc(Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)c1 ZINC000091694515 218049024 /nfs/dbraw/zinc/04/90/24/218049024.db2.gz CZRLQKIFAQRGRD-SFHVURJKSA-N 0 2 348.402 3.801 50 0 EHAALN CN(C[C@@H]1CCOC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000096481545 218857023 /nfs/dbraw/zinc/85/70/23/218857023.db2.gz ZDYZPCJNDMGREW-ZDUSSCGKSA-N 0 2 345.826 3.821 50 0 EHAALN Cc1cccnc1NS(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC000011565931 258054321 /nfs/dbraw/zinc/05/43/21/258054321.db2.gz UXAZTPHRVQYNMC-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN O=S(=O)(Nc1ccccn1)c1ccc(Cl)c(Cl)c1Cl ZINC000000452090 563320714 /nfs/dbraw/zinc/32/07/14/563320714.db2.gz PIWBJNJGBLRETH-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN C[C@@H]1CCc2c(sc3[nH]c(=S)n(Cc4ccco4)c(=O)c23)C1 ZINC000002657876 563445177 /nfs/dbraw/zinc/44/51/77/563445177.db2.gz BJXCEZMOKJVGPI-SECBINFHSA-N 0 2 332.450 3.887 50 0 EHAALN CCOc1ccc(S(=O)(=O)Nc2ncccc2C)cc1C(C)(C)C ZINC000008714965 563636688 /nfs/dbraw/zinc/63/66/88/563636688.db2.gz SXPNUNLRKBWLSZ-UHFFFAOYSA-N 0 2 348.468 3.887 50 0 EHAALN CC1CCC([NH2+]C[C@H]2CCCc3ccccc32)([P@@](=O)([O-])O)CC1 ZINC000012997520 563683831 /nfs/dbraw/zinc/68/38/31/563683831.db2.gz LHAYQZYNMMRRSK-BFHRDPOASA-N 0 2 337.400 3.780 50 0 EHAALN CC1CCC([NH2+]C[C@H]2CCCc3ccccc32)([P@](=O)([O-])O)CC1 ZINC000012997520 563683833 /nfs/dbraw/zinc/68/38/33/563683833.db2.gz LHAYQZYNMMRRSK-BFHRDPOASA-N 0 2 337.400 3.780 50 0 EHAALN CCCCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)cc1C ZINC000016651404 563819326 /nfs/dbraw/zinc/81/93/26/563819326.db2.gz NQJVMWNUPHJBCK-UHFFFAOYSA-N 0 2 334.441 3.678 50 0 EHAALN O=C(Nc1nc(-c2ccoc2)n[nH]1)c1cnc(-c2ccsc2)s1 ZINC000072281228 563904684 /nfs/dbraw/zinc/90/46/84/563904684.db2.gz KXZDXAUYCRWSKZ-UHFFFAOYSA-N 0 2 343.393 3.502 50 0 EHAALN C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1ncccc1C(=O)[O-] ZINC000065420307 563960571 /nfs/dbraw/zinc/96/05/71/563960571.db2.gz CTBJTHNZWPOPAW-UHFFFAOYSA-N 0 2 339.420 3.535 50 0 EHAALN C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1ncccc1C(=O)[O-] ZINC000065420307 563960573 /nfs/dbraw/zinc/96/05/73/563960573.db2.gz CTBJTHNZWPOPAW-UHFFFAOYSA-N 0 2 339.420 3.535 50 0 EHAALN O=C([O-])c1ccc2[nH]c(Cc3ccc(Br)cc3)[nH+]c2c1 ZINC000033559704 563992713 /nfs/dbraw/zinc/99/27/13/563992713.db2.gz PZESDKHCVXIRAK-UHFFFAOYSA-N 0 2 331.169 3.614 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n(C1CCCCCC1)c2=O ZINC000000425242 563998912 /nfs/dbraw/zinc/99/89/12/563998912.db2.gz VSKKAANAFFCBSC-UHFFFAOYSA-N 0 2 332.425 3.741 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@H]1CCCC[C@@H]1C)c2=O ZINC000000425245 563998916 /nfs/dbraw/zinc/99/89/16/563998916.db2.gz ISKIQBBLHZBAII-HZMBPMFUSA-N 0 2 332.425 3.597 50 0 EHAALN COc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000005602594 564006304 /nfs/dbraw/zinc/00/63/04/564006304.db2.gz QJYKGMLSOSOTOL-UHFFFAOYSA-N 0 2 329.780 3.597 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c(C)s1 ZINC000194775591 564122105 /nfs/dbraw/zinc/12/21/05/564122105.db2.gz SMCQAUROJQKWEN-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1cc(C)nc(NS(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC000004569149 210223182 /nfs/dbraw/zinc/22/31/82/210223182.db2.gz ZPUSHAMABMIDFZ-UHFFFAOYSA-N 0 2 330.384 3.792 50 0 EHAALN CCCn1c2ccccc2c(O)c(C(=O)Nc2cccc(C)c2)c1=O ZINC000100452257 219099627 /nfs/dbraw/zinc/09/96/27/219099627.db2.gz OIAYVLYJTBBCQJ-UHFFFAOYSA-N 0 2 336.391 3.678 50 0 EHAALN O=S(=O)(Nc1cccc(F)c1)c1ccc(Br)cc1F ZINC000068741082 215330194 /nfs/dbraw/zinc/33/01/94/215330194.db2.gz JBGCYOBWPUHJDN-UHFFFAOYSA-N 0 2 348.168 3.528 50 0 EHAALN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000000475636 209625170 /nfs/dbraw/zinc/62/51/70/209625170.db2.gz HCFSSMPIXTYGLE-UHFFFAOYSA-N 0 2 344.461 3.650 50 0 EHAALN O=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc(Cl)ccc1O ZINC000021729201 212246068 /nfs/dbraw/zinc/24/60/68/212246068.db2.gz ALSJUDNOOFWCDN-UHFFFAOYSA-N 0 2 349.777 3.986 50 0 EHAALN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cccc(Cl)c1 ZINC000012507886 211394514 /nfs/dbraw/zinc/39/45/14/211394514.db2.gz QSOYVBCQFFYWLK-UHFFFAOYSA-N 0 2 345.811 3.598 50 0 EHAALN CCc1ccccc1NC(=O)c1c(O)c2ccccc2n(CC)c1=O ZINC000012414619 211373502 /nfs/dbraw/zinc/37/35/02/211373502.db2.gz WVBJTPDCAMJEPZ-UHFFFAOYSA-N 0 2 336.391 3.542 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2nn(-c3ccccc3)cc2C)c(C)s1 ZINC000299743601 258009037 /nfs/dbraw/zinc/00/90/37/258009037.db2.gz LOAZEIHQMTVIGM-UHFFFAOYSA-N 0 2 347.465 3.660 50 0 EHAALN Cc1cc2nc(NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1C ZINC000000347284 563288022 /nfs/dbraw/zinc/28/80/22/563288022.db2.gz LJNUNJCOSPOPFP-UHFFFAOYSA-N 0 2 335.816 3.634 50 0 EHAALN CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1 ZINC000001854671 563414456 /nfs/dbraw/zinc/41/44/56/563414456.db2.gz YZFWTZACSRHJQD-OAHLLOKOSA-N 0 2 333.453 3.930 50 0 in-man EHAALN O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3ccccc3Cl)cc2)[NH2+]1 ZINC000002472421 563433259 /nfs/dbraw/zinc/43/32/59/563433259.db2.gz CYMVBODYZNMIRO-HZPDHXFCSA-N 0 2 349.839 3.707 50 0 EHAALN CCOc1ccc2[nH]c(=NC(=O)c3ccc(O)c(Cl)c3)sc2c1 ZINC000032721313 563703220 /nfs/dbraw/zinc/70/32/20/563703220.db2.gz UROMKHSMSNROIG-UHFFFAOYSA-N 0 2 348.811 3.728 50 0 EHAALN Cc1nc(CCCn2cc[nH+]c2-c2ccccc2C(=O)[O-])sc1C ZINC000077354722 563969124 /nfs/dbraw/zinc/96/91/24/563969124.db2.gz FVRDOBGFLJGSBK-UHFFFAOYSA-N 0 2 341.436 3.954 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000096170873 563979995 /nfs/dbraw/zinc/97/99/95/563979995.db2.gz RHTLPPIQVBZVCJ-UHFFFAOYSA-N 0 2 344.205 3.697 50 0 EHAALN Cc1ccc(CSC2=Nc3sccc3C3=NC(=O)CN32)cc1 ZINC000001399392 564064838 /nfs/dbraw/zinc/06/48/38/564064838.db2.gz AJXJRICBQFSJJZ-UHFFFAOYSA-N 0 2 327.434 3.580 50 0 EHAALN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)noc3C)c2)cs1 ZINC000006587093 564092283 /nfs/dbraw/zinc/09/22/83/564092283.db2.gz CNIAGMBETKTGAH-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1cccs1 ZINC000065552016 564107434 /nfs/dbraw/zinc/10/74/34/564107434.db2.gz ATSKVGZYEKXGJK-UHFFFAOYSA-N 0 2 330.434 3.919 50 0 EHAALN Cc1cc(S(=O)(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000107319743 564129527 /nfs/dbraw/zinc/12/95/27/564129527.db2.gz PCWLGUBFWDIHOZ-UHFFFAOYSA-N 0 2 332.208 3.808 50 0 EHAALN CCCOc1ccc(S(=O)(=O)Nc2cncs2)c2ccccc12 ZINC000041096419 564173146 /nfs/dbraw/zinc/17/31/46/564173146.db2.gz IUJIWWDPDCKQRI-UHFFFAOYSA-N 0 2 348.449 3.886 50 0 EHAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000035592597 213040375 /nfs/dbraw/zinc/04/03/75/213040375.db2.gz GPRUVNBBDBNFJU-UHFFFAOYSA-N 0 2 348.207 3.508 50 0 EHAALN CCc1ccc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)cc1 ZINC000012414623 211373376 /nfs/dbraw/zinc/37/33/76/211373376.db2.gz PFYRXSCZICTLGU-UHFFFAOYSA-N 0 2 336.391 3.542 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)s2)n[nH]1 ZINC000009686506 211113177 /nfs/dbraw/zinc/11/31/77/211113177.db2.gz AVDNETGPPNMUHT-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN Cc1ccccc1OCCSCc1nc(=O)c2sccc2[nH]1 ZINC000009603709 211106934 /nfs/dbraw/zinc/10/69/34/211106934.db2.gz KRFGYVKEEXLTOE-UHFFFAOYSA-N 0 2 332.450 3.605 50 0 EHAALN Cc1cc(C)cc(Nc2nnc(Cc3ccccc3Cl)c(=O)[nH]2)c1 ZINC000008555763 563632353 /nfs/dbraw/zinc/63/23/53/563632353.db2.gz HFNUCBIZFOUSPS-UHFFFAOYSA-N 0 2 340.814 3.770 50 0 EHAALN COc1ccccc1C[C@H]1CCCN1C(=O)c1c(O)cc(F)cc1F ZINC000060472175 563963716 /nfs/dbraw/zinc/96/37/16/563963716.db2.gz FLBUBPHCFKEWOL-CQSZACIVSA-N 0 2 347.361 3.526 50 0 EHAALN Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1C ZINC000000492563 564017635 /nfs/dbraw/zinc/01/76/35/564017635.db2.gz GHNHUEZGSXJACD-UHFFFAOYSA-N 0 2 334.379 3.531 50 0 EHAALN Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000091055917 564087201 /nfs/dbraw/zinc/08/72/01/564087201.db2.gz HGZHRQDBTFWRHR-UHFFFAOYSA-N 0 2 347.827 3.541 50 0 EHAALN O=C(NC1=NCCS1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000078995456 564137563 /nfs/dbraw/zinc/13/75/63/564137563.db2.gz FUONUBNEVBQMPG-UHFFFAOYSA-N 0 2 332.812 3.545 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCC[C@H](C)[C@@H]1C)c2=O ZINC000020645202 564141710 /nfs/dbraw/zinc/14/17/10/564141710.db2.gz VBIHYWPJMKUNNZ-ZIBATOQPSA-N 0 2 346.452 3.843 50 0 EHAALN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000008105035 564162745 /nfs/dbraw/zinc/16/27/45/564162745.db2.gz MOTCFHQFXXJUOR-UHFFFAOYSA-N 0 2 337.269 3.784 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000100602501 219102964 /nfs/dbraw/zinc/10/29/64/219102964.db2.gz DVRIVOAWKFAQGD-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN CCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C ZINC000004411685 210189430 /nfs/dbraw/zinc/18/94/30/210189430.db2.gz YJAIUKZRFNRUTI-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN CN(Cc1ccc(Cl)s1)Cc1nc(=O)c2sccc2[nH]1 ZINC000022130671 212277959 /nfs/dbraw/zinc/27/79/59/212277959.db2.gz ZBYQCYMRDUDKRH-UHFFFAOYSA-N 0 2 325.846 3.744 50 0 EHAALN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000010512327 211179024 /nfs/dbraw/zinc/17/90/24/211179024.db2.gz PGVRNYPFNVQVTR-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccnc1 ZINC000004970391 210344067 /nfs/dbraw/zinc/34/40/67/210344067.db2.gz UYYBNLSDRJMEAP-UHFFFAOYSA-N 0 2 334.441 3.579 50 0 EHAALN C[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccs2)C1 ZINC000004949164 210338104 /nfs/dbraw/zinc/33/81/04/210338104.db2.gz XBFZKVYBAXNXDS-XFXZXTDPSA-N 0 2 336.416 3.981 50 0 EHAALN C[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccs2)C1 ZINC000004949164 210338100 /nfs/dbraw/zinc/33/81/00/210338100.db2.gz XBFZKVYBAXNXDS-XFXZXTDPSA-N 0 2 336.416 3.981 50 0 EHAALN Cc1nn(-c2ccc(C)cc2)c(C)c1NS(=O)(=O)c1ccccc1 ZINC000012536295 258054588 /nfs/dbraw/zinc/05/45/88/258054588.db2.gz KJPRGUNOVIBELD-UHFFFAOYSA-N 0 2 341.436 3.598 50 0 EHAALN Cc1nc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000158507929 225032396 /nfs/dbraw/zinc/03/23/96/225032396.db2.gz KJNPHWZCEVGGGS-AWEZNQCLSA-N 0 2 334.803 3.743 50 0 EHAALN Cc1nc(C[N@H+]2CCCC[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000158507929 225032399 /nfs/dbraw/zinc/03/23/99/225032399.db2.gz KJNPHWZCEVGGGS-AWEZNQCLSA-N 0 2 334.803 3.743 50 0 EHAALN O=c1[nH]c(Nc2ccc(Cl)cc2)nnc1Cc1ccccc1Cl ZINC000002718978 563446648 /nfs/dbraw/zinc/44/66/48/563446648.db2.gz XAQOVOAENDCYTH-UHFFFAOYSA-N 0 2 347.205 3.806 50 0 EHAALN Cc1cc(Br)c(O)c(Br)c1Br ZINC000087612806 563974414 /nfs/dbraw/zinc/97/44/14/563974414.db2.gz FTGDPJRWRYCBFF-UHFFFAOYSA-N 0 2 344.828 3.988 50 0 EHAALN Cc1cccc(SC2CCN(c3cccc(C(=O)[O-])[nH+]3)CC2)c1 ZINC000095504695 563977116 /nfs/dbraw/zinc/97/71/16/563977116.db2.gz RUPRUMHQSREPSP-UHFFFAOYSA-N 0 2 328.437 3.849 50 0 EHAALN CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl ZINC000000384696 563991977 /nfs/dbraw/zinc/99/19/77/563991977.db2.gz BDYRBTIQQRRYSR-UHFFFAOYSA-N 0 2 347.223 3.588 50 0 EHAALN COc1ccc(Cc2nnc(Nc3cc(C)ccc3C)[nH]c2=O)cc1 ZINC000005154398 563994756 /nfs/dbraw/zinc/99/47/56/563994756.db2.gz ASKLCBPCOBXOGW-UHFFFAOYSA-N 0 2 336.395 3.537 50 0 EHAALN C[C@H]1CCC[N@@H+](c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)C1 ZINC000064589023 564092546 /nfs/dbraw/zinc/09/25/46/564092546.db2.gz CFSSKRKXULZXPN-AWEZNQCLSA-N 0 2 338.407 3.873 50 0 EHAALN C[C@H]1CCC[N@H+](c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)C1 ZINC000064589023 564092547 /nfs/dbraw/zinc/09/25/47/564092547.db2.gz CFSSKRKXULZXPN-AWEZNQCLSA-N 0 2 338.407 3.873 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3C)s2)on1 ZINC000006887777 564100725 /nfs/dbraw/zinc/10/07/25/564100725.db2.gz LSMPOCRLRYNESD-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1nc2ccc(NS(=O)(=O)c3c(F)cccc3F)cc2s1 ZINC000007505265 564109411 /nfs/dbraw/zinc/10/94/11/564109411.db2.gz ZLFPLYKOVQHWGF-UHFFFAOYSA-N 0 2 340.376 3.684 50 0 EHAALN O=C(Nc1ccccc1)n1cc(C(=O)c2cc(Cl)ccc2O)cn1 ZINC000008391732 564164987 /nfs/dbraw/zinc/16/49/87/564164987.db2.gz QWDAPEQNZKZGEW-UHFFFAOYSA-N 0 2 341.754 3.553 50 0 EHAALN CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1OC ZINC000031903987 1138009547 /nfs/dbraw/zinc/00/95/47/1138009547.db2.gz WSDPQFKTTUGYLU-UHFFFAOYSA-N 0 2 349.452 3.902 50 0 EHAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1CCc1ccccc1 ZINC000100028555 219089212 /nfs/dbraw/zinc/08/92/12/219089212.db2.gz PXEVPVWKRCVKKM-UHFFFAOYSA-N 0 2 339.445 3.911 50 0 EHAALN Cc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000072427546 216218951 /nfs/dbraw/zinc/21/89/51/216218951.db2.gz XXMFWELQJRXHPD-UHFFFAOYSA-N 0 2 327.771 3.996 50 0 EHAALN COc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)cc1C(C)C ZINC000004970554 210343274 /nfs/dbraw/zinc/34/32/74/210343274.db2.gz ZKNFFPPNZIBUFJ-UHFFFAOYSA-N 0 2 334.441 3.631 50 0 EHAALN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccs1 ZINC000007055642 208578574 /nfs/dbraw/zinc/57/85/74/208578574.db2.gz RLPAJUHAQZDLFY-UHFFFAOYSA-N 0 2 337.422 3.590 50 0 EHAALN O=c1nc(CSc2nc3ccccc3s2)[nH]c2ccsc21 ZINC000004830219 210291293 /nfs/dbraw/zinc/29/12/93/210291293.db2.gz JMYYRABYNCERBW-UHFFFAOYSA-N 0 2 331.447 3.887 50 0 EHAALN O=C(c1cc(F)c(F)c(O)c1F)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000328587480 258046026 /nfs/dbraw/zinc/04/60/26/258046026.db2.gz ZRAIZOSYAYOPJW-JTQLQIEISA-N 0 2 339.288 3.578 50 0 EHAALN Cc1nc(Nc2ncc3c(n2)CC(C)(C)CC3=O)nc2ccccc12 ZINC000000105997 563227668 /nfs/dbraw/zinc/22/76/68/563227668.db2.gz UDXFOOONNVDCCG-UHFFFAOYSA-N 0 2 333.395 3.627 50 0 EHAALN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2Cl)[NH2+]1 ZINC000000188042 563255512 /nfs/dbraw/zinc/25/55/12/563255512.db2.gz JNLXAXOXLWSEML-HOTGVXAUSA-N 0 2 326.783 3.510 50 0 biogenic EHAALN CCc1ccc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1 ZINC000000200146 563258706 /nfs/dbraw/zinc/25/87/06/563258706.db2.gz TYKGDFHXJNSOER-UHFFFAOYSA-N 0 2 333.395 3.553 50 0 EHAALN CCc1ccc([C@H]2CCCN2Cc2nc(=O)c3sccc3[nH]2)o1 ZINC000071910694 563576387 /nfs/dbraw/zinc/57/63/87/563576387.db2.gz WWWKQCZHWKOUEQ-CYBMUJFWSA-N 0 2 329.425 3.889 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 ZINC000012552656 563662709 /nfs/dbraw/zinc/66/27/09/563662709.db2.gz HRSPXIIMLMOJIQ-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN CCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl ZINC000016649834 563818939 /nfs/dbraw/zinc/81/89/39/563818939.db2.gz WHDHPUBRXGHHSC-UHFFFAOYSA-N 0 2 340.832 3.715 50 0 EHAALN COc1cccc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000058180099 563939202 /nfs/dbraw/zinc/93/92/02/563939202.db2.gz MPVCPNSRRNYYRZ-HNNXBMFYSA-N 0 2 341.436 3.743 50 0 EHAALN O=C([O-])c1ccc(N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)[nH+]c1 ZINC000067895090 564075012 /nfs/dbraw/zinc/07/50/12/564075012.db2.gz FXNJGWGHXINWEE-INIZCTEOSA-N 0 2 348.406 3.554 50 0 EHAALN CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F ZINC000278223731 564138278 /nfs/dbraw/zinc/13/82/78/564138278.db2.gz UQXHEBFDAIOSLM-BLTYZCFWSA-N 0 2 329.240 3.516 50 0 EHAALN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccs3)ccc2o1 ZINC000032097435 564160757 /nfs/dbraw/zinc/16/07/57/564160757.db2.gz WGZQFFVFQIAFEQ-UHFFFAOYSA-N 0 2 336.438 3.988 50 0 EHAALN CC(C)c1ccc(OCC(=O)Nc2ccnn2Cc2ccco2)cc1 ZINC000028580771 212627075 /nfs/dbraw/zinc/62/70/75/212627075.db2.gz LRKFHRNUHFVOFC-UHFFFAOYSA-N 0 2 339.395 3.665 50 0 EHAALN O=c1nc[nH]c2c1sc1nc(C(F)(F)F)cc(-c3ccco3)c12 ZINC000012395069 211368349 /nfs/dbraw/zinc/36/83/49/211368349.db2.gz HXMIJXIJDFPALA-UHFFFAOYSA-N 0 2 337.282 3.812 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)s2)n[nH]1 ZINC000009686589 211113405 /nfs/dbraw/zinc/11/34/05/211113405.db2.gz DHLMROHFSIELME-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nnc1Cc1ccccc1 ZINC000008741175 210996973 /nfs/dbraw/zinc/99/69/73/210996973.db2.gz AQBKBVVZLMBDLY-UHFFFAOYSA-N 0 2 346.312 3.930 50 0 EHAALN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccc(C)n1 ZINC000006139061 258051751 /nfs/dbraw/zinc/05/17/51/258051751.db2.gz SWWJOIQYGZNAFP-UHFFFAOYSA-N 0 2 347.223 3.506 50 0 EHAALN C[C@@H](C[NH2+][C@H](c1cccc(Cl)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997526 563683774 /nfs/dbraw/zinc/68/37/74/563683774.db2.gz ASGIEMFZUXVBFN-LRDDRELGSA-N 0 2 339.759 3.910 50 0 EHAALN C[C@@H](C[NH2+][C@H](c1cccc(Cl)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997526 563683777 /nfs/dbraw/zinc/68/37/77/563683777.db2.gz ASGIEMFZUXVBFN-LRDDRELGSA-N 0 2 339.759 3.910 50 0 EHAALN Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)[nH]c1=O ZINC000018099294 563848767 /nfs/dbraw/zinc/84/87/67/563848767.db2.gz RTQSHOXJYRXVCK-UHFFFAOYSA-N 0 2 344.827 3.772 50 0 EHAALN Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)[O-])CC1 ZINC000032917008 563914481 /nfs/dbraw/zinc/91/44/81/563914481.db2.gz UFEROWMJPLPBKU-UHFFFAOYSA-N 0 2 349.434 3.694 50 0 EHAALN Cc1csc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000001205260 563917834 /nfs/dbraw/zinc/91/78/34/563917834.db2.gz JNYWPHOPAPMAAO-UHFFFAOYSA-N 0 2 330.434 3.919 50 0 EHAALN C[C@@H]([C@@H]1CCCO1)n1c(=O)c2c([nH]c1=S)sc1c2CCCC1 ZINC000017070772 564024842 /nfs/dbraw/zinc/02/48/42/564024842.db2.gz YSISXRAGZZJPCJ-ONGXEEELSA-N 0 2 336.482 3.739 50 0 EHAALN Cc1noc(C)c1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097492 564160755 /nfs/dbraw/zinc/16/07/55/564160755.db2.gz KAIMNFDVZPTURO-UHFFFAOYSA-N 0 2 349.412 3.531 50 0 EHAALN CCc1n[nH]c(C2CC[NH+](Cc3nc4cc(C)ccc4s3)CC2)n1 ZINC000528477875 1127718856 /nfs/dbraw/zinc/71/88/56/1127718856.db2.gz QFUFMVUXKKDYBC-UHFFFAOYSA-N 0 2 341.484 3.665 50 0 EHAALN CCc1nc(C2CC[NH+](Cc3nc4cc(C)ccc4s3)CC2)n[nH]1 ZINC000528477875 1127718859 /nfs/dbraw/zinc/71/88/59/1127718859.db2.gz QFUFMVUXKKDYBC-UHFFFAOYSA-N 0 2 341.484 3.665 50 0 EHAALN Cc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c1 ZINC000100613757 219102976 /nfs/dbraw/zinc/10/29/76/219102976.db2.gz MARDNKHYMIHOJI-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3)s2)on1 ZINC000020978466 212192836 /nfs/dbraw/zinc/19/28/36/212192836.db2.gz UISKQCNVNJIGQJ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1nn(-c2ccc(C)cc2)c(C)c1NS(=O)(=O)c1cccs1 ZINC000012544879 211404898 /nfs/dbraw/zinc/40/48/98/211404898.db2.gz IDXXUAWNORYENL-UHFFFAOYSA-N 0 2 347.465 3.660 50 0 EHAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1 ZINC000009686430 211113442 /nfs/dbraw/zinc/11/34/42/211113442.db2.gz YFCWSBMRPGIBLO-UHFFFAOYSA-N 0 2 347.465 3.810 50 0 EHAALN COC(=O)c1c(SCc2ccccc2F)[nH]c2ccccc2c1=O ZINC000009300292 211063523 /nfs/dbraw/zinc/06/35/23/211063523.db2.gz WMAUJHPZJZUNCT-UHFFFAOYSA-N 0 2 343.379 3.746 50 0 EHAALN Cc1cc2c(cc1-c1c(C)oc3cc(O)cc(C)c3c1=O)OCCO2 ZINC000000407427 563306996 /nfs/dbraw/zinc/30/69/96/563306996.db2.gz AOQIRLOMVFZHQL-UHFFFAOYSA-N 0 2 338.359 3.862 50 0 EHAALN CC(C)C[C@@H](O)C1CC[NH+](Cc2cnc(CC3CCCC3)[nH]2)CC1 ZINC000077505298 563970046 /nfs/dbraw/zinc/97/00/46/563970046.db2.gz QQCOYFJJSUDGRG-LJQANCHMSA-N 0 2 333.520 3.761 50 0 EHAALN Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc[nH+]c(C)n4)C3)C2)c1 ZINC000426503335 563996198 /nfs/dbraw/zinc/99/61/98/563996198.db2.gz PDFDUKKIKGPNIN-NRFANRHFSA-N 0 2 336.483 3.586 50 0 EHAALN COc1ccc(Cn2c(=O)c3ccc(Cl)cc3[nH]c2=S)cc1 ZINC000000425272 563998946 /nfs/dbraw/zinc/99/89/46/563998946.db2.gz BGUNVKZQJYPEGD-UHFFFAOYSA-N 0 2 332.812 3.769 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)cc1F ZINC000065031149 564099781 /nfs/dbraw/zinc/09/97/81/564099781.db2.gz WRVXHXGFEUKDSE-UHFFFAOYSA-N 0 2 338.385 3.651 50 0 EHAALN CCC[C@H](C)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)[nH]n1 ZINC000170617507 564110158 /nfs/dbraw/zinc/11/01/58/564110158.db2.gz JXDQWAMWAVUQKB-LBPRGKRZSA-N 0 2 344.440 3.662 50 0 EHAALN O=S(=O)(Nc1ccc2ncccc2c1)c1c(F)cccc1Cl ZINC000095945415 564142178 /nfs/dbraw/zinc/14/21/78/564142178.db2.gz QZBQKSCFXFOAKB-UHFFFAOYSA-N 0 2 336.775 3.828 50 0 EHAALN CCn1c2ccccc2nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000007987255 564161848 /nfs/dbraw/zinc/16/18/48/564161848.db2.gz OFYNROIWCZKRFV-UHFFFAOYSA-N 0 2 342.449 3.647 50 0 EHAALN Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000069442713 564169526 /nfs/dbraw/zinc/16/95/26/564169526.db2.gz HSFNNJFITOPLGD-UHFFFAOYSA-N 0 2 345.827 3.674 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2cccc(C)c2C)c1=O ZINC000100602487 219102560 /nfs/dbraw/zinc/10/25/60/219102560.db2.gz YOHAFCNOFYKLOE-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2cc(C)cc(C)c2)c1=O ZINC000100709858 219104869 /nfs/dbraw/zinc/10/48/69/219104869.db2.gz SMEDZCRBRZYICO-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc([NH+](C)C)cc3)c12 ZINC000020328626 212119699 /nfs/dbraw/zinc/11/96/99/212119699.db2.gz WJFDTCSCDJFIRE-UHFFFAOYSA-N 0 2 328.397 3.508 50 0 EHAALN CCN(Cc1ccc(Cl)s1)Cc1nc(=O)c2sccc2[nH]1 ZINC000018936029 211996322 /nfs/dbraw/zinc/99/63/22/211996322.db2.gz BXCUUNJKLGQQDK-UHFFFAOYSA-N 0 2 339.873 3.722 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)n[nH]1 ZINC000009686493 211113516 /nfs/dbraw/zinc/11/35/16/211113516.db2.gz BQIJEWHETIWLFI-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN CC(=O)Nc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)c(Cl)c1 ZINC000097377405 219019323 /nfs/dbraw/zinc/01/93/23/219019323.db2.gz LOOKGONORKBARB-UHFFFAOYSA-N 0 2 340.713 3.535 50 0 EHAALN CC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000000387199 563303438 /nfs/dbraw/zinc/30/34/38/563303438.db2.gz JYLWXLVWWNKIQB-UHFFFAOYSA-N 0 2 344.219 3.997 50 0 EHAALN Cc1ccnc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1 ZINC000000380228 563299697 /nfs/dbraw/zinc/29/96/97/563299697.db2.gz PJYLPKPBCDKVHX-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN CCc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000000479280 563335764 /nfs/dbraw/zinc/33/57/64/563335764.db2.gz GASAJTOKPXNPAO-UHFFFAOYSA-N 0 2 346.271 3.874 50 0 EHAALN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cccs1 ZINC000001059484 563371873 /nfs/dbraw/zinc/37/18/73/563371873.db2.gz SKISRTSGTWSZJC-UHFFFAOYSA-N 0 2 330.434 3.535 50 0 EHAALN CC1(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)CCCCC1 ZINC000001481754 563391045 /nfs/dbraw/zinc/39/10/45/563391045.db2.gz YZFWTZACSRHJQD-HNNXBMFYSA-N 0 2 333.453 3.930 50 0 in-man EHAALN O=S(=O)(Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000007052592 563594351 /nfs/dbraw/zinc/59/43/51/563594351.db2.gz SPDGVOGNWBUOTN-UHFFFAOYSA-N 0 2 348.168 3.528 50 0 EHAALN COc1ccc(Cc2nnc(Nc3cc(C)cc(C)c3)[nH]c2=O)cc1 ZINC000008741326 563638849 /nfs/dbraw/zinc/63/88/49/563638849.db2.gz OWWVOOCYKOMKTH-UHFFFAOYSA-N 0 2 336.395 3.537 50 0 EHAALN Cc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000016777338 563823395 /nfs/dbraw/zinc/82/33/95/563823395.db2.gz UXUCGNXLBDQPNK-UHFFFAOYSA-N 0 2 326.787 3.873 50 0 EHAALN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1 ZINC000000454543 563844094 /nfs/dbraw/zinc/84/40/94/563844094.db2.gz ZVJZYQDCSJYFDR-ZROIWOOFSA-N 0 2 326.739 3.847 50 0 EHAALN COc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000000074694 563974465 /nfs/dbraw/zinc/97/44/65/563974465.db2.gz ACORCYLISMGRHN-UHFFFAOYSA-N 0 2 331.315 3.515 50 0 EHAALN COc1ccccc1CN(Cc1nc(=O)c2sccc2[nH]1)C1CC1 ZINC000048275389 564030603 /nfs/dbraw/zinc/03/06/03/564030603.db2.gz IIXJWNHSOJHSMY-UHFFFAOYSA-N 0 2 341.436 3.570 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)s2)on1 ZINC000006887797 564100760 /nfs/dbraw/zinc/10/07/60/564100760.db2.gz RXICMJYYQMSMDB-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000007402737 564107984 /nfs/dbraw/zinc/10/79/84/564107984.db2.gz LVCPEPFRBXGXDK-UHFFFAOYSA-N 0 2 335.734 3.867 50 0 EHAALN Cc1c(NS(=O)(=O)c2cc(F)ccc2C)[nH]nc1-c1ccccc1 ZINC000089651289 564112885 /nfs/dbraw/zinc/11/28/85/564112885.db2.gz JPZBUCGCPQMASZ-UHFFFAOYSA-N 0 2 345.399 3.633 50 0 EHAALN Cc1ccc(C)c(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)c1 ZINC000004317871 210169023 /nfs/dbraw/zinc/16/90/23/210169023.db2.gz IWNBBLQTRVXIMO-UHFFFAOYSA-N 0 2 349.358 3.668 50 0 EHAALN O=C([O-])[C@H]1CS[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)[NH2+]1 ZINC000003642578 210069879 /nfs/dbraw/zinc/06/98/79/210069879.db2.gz MTJOHDVAHGAFOD-HZPDHXFCSA-N 0 2 349.839 3.707 50 0 EHAALN O=S(=O)(Nc1cc(Cl)ccc1O)c1cccc(Cl)c1F ZINC000095349109 218283876 /nfs/dbraw/zinc/28/38/76/218283876.db2.gz IEDSYYKUUHUJRK-UHFFFAOYSA-N 0 2 336.171 3.639 50 0 EHAALN Cc1c(O)ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc12 ZINC000008299429 563625932 /nfs/dbraw/zinc/62/59/32/563625932.db2.gz PORNTELQMGYTIO-UHFFFAOYSA-N 0 2 334.331 3.785 50 0 EHAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000074826907 563967010 /nfs/dbraw/zinc/96/70/10/563967010.db2.gz FMPBEDOPRAYBDY-UHFFFAOYSA-N 0 2 348.811 3.698 50 0 EHAALN Cc1nc2[nH]c(C(c3ccccc3)c3ccccc3)nn2c(=O)c1C ZINC000018221985 564018935 /nfs/dbraw/zinc/01/89/35/564018935.db2.gz UYBQLZYVMMSMFD-UHFFFAOYSA-N 0 2 330.391 3.627 50 0 EHAALN COc1ccc(C[C@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)cc1 ZINC000083944054 564065015 /nfs/dbraw/zinc/06/50/15/564065015.db2.gz RBSCKBFFAUUWFU-CQSZACIVSA-N 0 2 347.361 3.526 50 0 EHAALN O=S(=O)(Nc1nccc2sccc21)c1cccc2ccccc21 ZINC000096013513 564144787 /nfs/dbraw/zinc/14/47/87/564144787.db2.gz OAYGHHBSLWNXHA-UHFFFAOYSA-N 0 2 340.429 3.672 50 0 EHAALN O=C([O-])C1CCC(Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000263467682 962655686 /nfs/dbraw/zinc/65/56/86/962655686.db2.gz KLNPFVCDUPMNFC-UHFFFAOYSA-N 0 2 339.439 3.942 50 0 EHAALN C[C@@H](c1cc(F)ccc1F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000053125897 214165310 /nfs/dbraw/zinc/16/53/10/214165310.db2.gz SQHSNBORJZEJHD-VIFPVBQESA-N 0 2 335.379 3.868 50 0 EHAALN Cc1[nH+]c(CN2CCC(c3cc(C(C)C)n[nH]3)CC2)c2ccccn12 ZINC000067966747 215261574 /nfs/dbraw/zinc/26/15/74/215261574.db2.gz YPORODIHHUXNKW-UHFFFAOYSA-N 0 2 337.471 3.869 50 0 EHAALN Cc1nc(C[NH+]2CCC(c3cc(C(C)C)n[nH]3)CC2)c2ccccn12 ZINC000067966747 215261575 /nfs/dbraw/zinc/26/15/75/215261575.db2.gz YPORODIHHUXNKW-UHFFFAOYSA-N 0 2 337.471 3.869 50 0 EHAALN CCCOc1ccccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000023385841 212374824 /nfs/dbraw/zinc/37/48/24/212374824.db2.gz BSBVXIBHBWBYME-UHFFFAOYSA-N 0 2 327.352 3.554 50 0 EHAALN COc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1Cl ZINC000005126404 210394700 /nfs/dbraw/zinc/39/47/00/210394700.db2.gz GQOPPVJASPEMJI-UHFFFAOYSA-N 0 2 332.208 3.803 50 0 EHAALN CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccnc1 ZINC000004970409 210343457 /nfs/dbraw/zinc/34/34/57/210343457.db2.gz WTABKXFXTAEFTF-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN CCCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000008714638 563636390 /nfs/dbraw/zinc/63/63/90/563636390.db2.gz PSBUDWPVXKYTDH-UHFFFAOYSA-N 0 2 340.832 3.633 50 0 EHAALN C[C@H](C[NH2+][C@H](c1cccc(Cl)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997528 563683755 /nfs/dbraw/zinc/68/37/55/563683755.db2.gz ASGIEMFZUXVBFN-WBMJQRKESA-N 0 2 339.759 3.910 50 0 EHAALN C[C@H](C[NH2+][C@H](c1cccc(Cl)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997528 563683758 /nfs/dbraw/zinc/68/37/58/563683758.db2.gz ASGIEMFZUXVBFN-WBMJQRKESA-N 0 2 339.759 3.910 50 0 EHAALN O=S(=O)(Nc1ccncc1)c1c(Cl)cccc1C(F)(F)F ZINC000072292631 563910256 /nfs/dbraw/zinc/91/02/56/563910256.db2.gz NXDWZDVBMZQEJM-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN Cc1[nH]c(=S)sc1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159296174 564033828 /nfs/dbraw/zinc/03/38/28/564033828.db2.gz ZTTPSVVNQVMHCI-UHFFFAOYSA-N 0 2 349.264 3.934 50 0 EHAALN N=c1[nH]nc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1 ZINC000606422417 564043412 /nfs/dbraw/zinc/04/34/12/564043412.db2.gz YUEUUPCCSLVHDY-UHFFFAOYSA-N 0 2 337.383 3.609 50 0 EHAALN Cc1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)c(C)c1 ZINC000001298995 564063025 /nfs/dbraw/zinc/06/30/25/564063025.db2.gz BEDYXCDTOBIPHX-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN Cc1ccc(C)c(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)c1 ZINC000001295220 564063051 /nfs/dbraw/zinc/06/30/51/564063051.db2.gz ARZWNUIYHNROCY-UHFFFAOYSA-N 0 2 348.402 3.522 50 0 EHAALN CCOc1cc(C(C)C)c(S(=O)(=O)Nc2ccccn2)cc1C ZINC000256029764 564089918 /nfs/dbraw/zinc/08/99/18/564089918.db2.gz DWTFVXQHRJVISZ-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN Cc1nnc(-c2csc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)o1 ZINC000065098570 564101079 /nfs/dbraw/zinc/10/10/79/564101079.db2.gz QSPKUECHEWRIKV-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1Oc1cc[nH+]cc1 ZINC000195349097 564123313 /nfs/dbraw/zinc/12/33/13/564123313.db2.gz RADSKCMSUREOJF-UHFFFAOYSA-N 0 2 330.365 3.576 50 0 EHAALN CCc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1 ZINC000004370956 210181938 /nfs/dbraw/zinc/18/19/38/210181938.db2.gz VLZLESHBHRYICE-UHFFFAOYSA-N 0 2 349.358 3.614 50 0 EHAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccn1)CCCCC3 ZINC000017071731 211953196 /nfs/dbraw/zinc/95/31/96/211953196.db2.gz LIBOKSPISKWYEL-UHFFFAOYSA-N 0 2 343.477 3.833 50 0 EHAALN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1nc2ccccc2[nH]1 ZINC000078995494 217169067 /nfs/dbraw/zinc/16/90/67/217169067.db2.gz DQPDEQUBUCHJDT-MRVPVSSYSA-N 0 2 333.750 3.552 50 0 EHAALN O=C([O-])/C=C/c1cnc(/C=C/c2[nH+]ccn2Cc2ccccc2)s1 ZINC000079943378 217265466 /nfs/dbraw/zinc/26/54/66/217265466.db2.gz LOHZRQJMHJHOMF-KHHFIZIMSA-N 0 2 337.404 3.656 50 0 EHAALN CCc1cccc(NS(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)c1 ZINC000009686539 211113288 /nfs/dbraw/zinc/11/32/88/211113288.db2.gz HVMRMBQPKFIFDL-UHFFFAOYSA-N 0 2 347.465 3.810 50 0 EHAALN COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C)n2)cc1Cl ZINC000004970471 210343731 /nfs/dbraw/zinc/34/37/31/210343731.db2.gz QDHZKKLZEJDOAE-UHFFFAOYSA-N 0 2 347.223 3.506 50 0 EHAALN Nc1nc(Nc2ccc(Cl)cc2)nc(-c2cc(Cl)ccc2O)n1 ZINC000000347213 563288067 /nfs/dbraw/zinc/28/80/67/563288067.db2.gz WLDARDNBOLWMHI-UHFFFAOYSA-N 0 2 348.193 3.877 50 0 EHAALN Cc1cc(Br)ccc1NS(=O)(=O)c1cccs1 ZINC000006706507 563581276 /nfs/dbraw/zinc/58/12/76/563581276.db2.gz JXZOZKACCRLABB-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl ZINC000006706860 563581296 /nfs/dbraw/zinc/58/12/96/563581296.db2.gz PGMJLVXHVWCNNM-UHFFFAOYSA-N 0 2 337.615 3.843 50 0 EHAALN C[C@@H]1CCc2c(sc3[nH]c(=S)n(Cc4cccnc4)c(=O)c23)C1 ZINC000017071733 563834991 /nfs/dbraw/zinc/83/49/91/563834991.db2.gz GRFGWRMOMMCUSZ-SNVBAGLBSA-N 0 2 343.477 3.689 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@H]1CCCC[C@H]1C)c2=O ZINC000000425246 563998956 /nfs/dbraw/zinc/99/89/56/563998956.db2.gz ISKIQBBLHZBAII-YGRLFVJLSA-N 0 2 332.425 3.597 50 0 EHAALN O=C([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000263573569 564059660 /nfs/dbraw/zinc/05/96/60/564059660.db2.gz MNKSHTDTIPUOQP-QGZVFWFLSA-N 0 2 349.789 3.751 50 0 EHAALN O=C([O-])c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000263573569 564059661 /nfs/dbraw/zinc/05/96/61/564059661.db2.gz MNKSHTDTIPUOQP-QGZVFWFLSA-N 0 2 349.789 3.751 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1Br ZINC000012745294 564065617 /nfs/dbraw/zinc/06/56/17/564065617.db2.gz DSGGNNVIXSOUEO-UHFFFAOYSA-N 0 2 344.205 3.697 50 0 EHAALN O=S(=O)(Nc1ccccc1)c1c(F)cc(F)cc1Br ZINC000006317227 564084579 /nfs/dbraw/zinc/08/45/79/564084579.db2.gz ZLIDOLNGDSXKLT-UHFFFAOYSA-N 0 2 348.168 3.528 50 0 EHAALN S=c1[nH]nc(-c2nc3cccnc3[nH]2)n1-c1ccc(Cl)cc1 ZINC000006493929 564090813 /nfs/dbraw/zinc/09/08/13/564090813.db2.gz BHJNAYYYQXGASD-UHFFFAOYSA-N 0 2 328.788 3.522 50 0 EHAALN Cc1nc(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1 ZINC000006582355 564092300 /nfs/dbraw/zinc/09/23/00/564092300.db2.gz MMCMWYSMAWYWGS-UHFFFAOYSA-N 0 2 336.463 3.981 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3c(C)cccc3C)s2)o1 ZINC000064919951 564097699 /nfs/dbraw/zinc/09/76/99/564097699.db2.gz AEAGNNFLVKEQLL-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)cc1C ZINC000065031116 564099774 /nfs/dbraw/zinc/09/97/74/564099774.db2.gz BAZSIPHTDLESFJ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@H](C(C)(C)C)CC1)c2=O ZINC000170629340 564110654 /nfs/dbraw/zinc/11/06/54/564110654.db2.gz PVENYKJZXYKLRA-AWEZNQCLSA-N 0 2 341.455 3.932 50 0 EHAALN CCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O ZINC000002971685 564153916 /nfs/dbraw/zinc/15/39/16/564153916.db2.gz LBLKNDMXUOPPHK-UHFFFAOYSA-N 0 2 345.468 3.704 50 0 EHAALN CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000000312853 209530320 /nfs/dbraw/zinc/53/03/20/209530320.db2.gz YHIIQXZSSOULLX-UHFFFAOYSA-N 0 2 340.162 3.877 50 0 EHAALN CCOc1ccc(-c2noc(-c3c[nH]c4ccc(C)cc4c3=O)n2)cc1 ZINC000075352728 216611891 /nfs/dbraw/zinc/61/18/91/216611891.db2.gz PIBVSIKNGVUCOM-UHFFFAOYSA-N 0 2 347.374 3.952 50 0 EHAALN Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000126905701 563636005 /nfs/dbraw/zinc/63/60/05/563636005.db2.gz KCBUBAZYUMKAPY-UHFFFAOYSA-N 0 2 346.330 3.680 50 0 EHAALN CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1cccnc1 ZINC000012560572 563663170 /nfs/dbraw/zinc/66/31/70/563663170.db2.gz LHUWTSMDKHCZNA-UHFFFAOYSA-N 0 2 334.441 3.760 50 0 EHAALN CCc1c(C)sc2[nH]c(=S)n(Cc3cnn(CC)c3C)c(=O)c12 ZINC000017072452 563836060 /nfs/dbraw/zinc/83/60/60/563836060.db2.gz DWCIYZGDCZUUJF-UHFFFAOYSA-N 0 2 348.497 3.565 50 0 EHAALN COc1ccccc1Cn1c(=O)c2ccc(Cl)cc2[nH]c1=S ZINC000000425273 563998940 /nfs/dbraw/zinc/99/89/40/563998940.db2.gz XMJVSKUDKVNTMW-UHFFFAOYSA-N 0 2 332.812 3.769 50 0 EHAALN COc1ccc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000018042244 564017855 /nfs/dbraw/zinc/01/78/55/564017855.db2.gz TZTXGUYAIGEJFY-UHFFFAOYSA-N 0 2 326.179 3.889 50 0 EHAALN C[C@H]([C@H]1CCCO1)n1c(=O)c2c([nH]c1=S)sc1c2CCCC1 ZINC000017070775 564024864 /nfs/dbraw/zinc/02/48/64/564024864.db2.gz YSISXRAGZZJPCJ-MWLCHTKSSA-N 0 2 336.482 3.739 50 0 EHAALN CCOC(=O)c1ccc(-c2c(C)oc3cc(O)cc(C)c3c2=O)o1 ZINC000005905859 564056929 /nfs/dbraw/zinc/05/69/29/564056929.db2.gz OHTODRBRTLVGNP-UHFFFAOYSA-N 0 2 328.320 3.552 50 0 biogenic EHAALN CCCOc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000006315717 564084541 /nfs/dbraw/zinc/08/45/41/564084541.db2.gz HUNSAXYSBBGVIO-UHFFFAOYSA-N 0 2 325.817 3.930 50 0 EHAALN COc1ccccc1[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000089473591 564090763 /nfs/dbraw/zinc/09/07/63/564090763.db2.gz PBCWRNHLSZPVPI-NSHDSACASA-N 0 2 349.789 3.823 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)s2)o1 ZINC000064920009 564097679 /nfs/dbraw/zinc/09/76/79/564097679.db2.gz ZFGPJCHYZZNQKE-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000263563874 564163947 /nfs/dbraw/zinc/16/39/47/564163947.db2.gz DPNRJENYAHONLL-ZDUSSCGKSA-N 0 2 338.379 3.527 50 0 EHAALN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1nc(-c2c(F)cccc2F)cs1 ZINC000263563874 564163948 /nfs/dbraw/zinc/16/39/48/564163948.db2.gz DPNRJENYAHONLL-ZDUSSCGKSA-N 0 2 338.379 3.527 50 0 EHAALN C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1O ZINC000069703654 564171621 /nfs/dbraw/zinc/17/16/21/564171621.db2.gz AHBZTYJHYSGSJG-VIFPVBQESA-N 0 2 325.195 3.927 50 0 EHAALN CCc1ccc([C@@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[nH]s2)o1 ZINC000331694543 1041071351 /nfs/dbraw/zinc/07/13/51/1041071351.db2.gz YSIQTMRMWSFODN-LBPRGKRZSA-N 0 2 348.472 3.782 50 0 EHAALN O=S(=O)(Nc1ccc(F)cc1)c1ccc(Br)cc1F ZINC000068741045 215329670 /nfs/dbraw/zinc/32/96/70/215329670.db2.gz XCNLDZBYWFPSRS-UHFFFAOYSA-N 0 2 348.168 3.528 50 0 EHAALN O=c1[nH]c(SCc2ccccc2Cl)nnc1-c1ccccc1 ZINC000011990960 211275764 /nfs/dbraw/zinc/27/57/64/211275764.db2.gz GOCYDWNSYLKMEM-UHFFFAOYSA-N 0 2 329.812 3.778 50 0 EHAALN Cc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000091690374 218048063 /nfs/dbraw/zinc/04/80/63/218048063.db2.gz ODOSEGNPHJCCBW-SFHVURJKSA-N 0 2 344.842 3.596 50 0 EHAALN COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1ncccc1C ZINC000004970473 210343433 /nfs/dbraw/zinc/34/34/33/210343433.db2.gz FCOUBJBSMIJTKZ-UHFFFAOYSA-N 0 2 347.223 3.506 50 0 EHAALN Cc1cc(C)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000121739647 221919117 /nfs/dbraw/zinc/91/91/17/221919117.db2.gz JUASZGFOCCPNBE-UHFFFAOYSA-N 0 2 341.436 3.598 50 0 EHAALN Cc1n[nH]c(-c2ccc(O)cc2O)c1-c1cnn(-c2ccccc2)c1 ZINC000000389023 563303801 /nfs/dbraw/zinc/30/38/01/563303801.db2.gz XDYQGVVDCXJNGD-UHFFFAOYSA-N 0 2 332.363 3.649 50 0 EHAALN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000008714946 563636743 /nfs/dbraw/zinc/63/67/43/563636743.db2.gz NFYMONBZNMYFRW-UHFFFAOYSA-N 0 2 334.441 3.713 50 0 EHAALN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000032895074 563780664 /nfs/dbraw/zinc/78/06/64/563780664.db2.gz KXFHZICVSKVYEW-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN Cc1nc2[nH]c(SCc3ccccc3)nn2c(=O)c1CCC(C)C ZINC000018240864 563851364 /nfs/dbraw/zinc/85/13/64/563851364.db2.gz BXBPKXROVUWPCL-UHFFFAOYSA-N 0 2 342.468 3.607 50 0 EHAALN Cc1ccccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000096170848 563980001 /nfs/dbraw/zinc/98/00/01/563980001.db2.gz SUPMJWGWIHBBIY-UHFFFAOYSA-N 0 2 344.205 3.697 50 0 EHAALN O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccc(Cl)s1 ZINC000006820394 564098763 /nfs/dbraw/zinc/09/87/63/564098763.db2.gz CYWOUAYMFBUASY-UHFFFAOYSA-N 0 2 339.772 3.804 50 0 EHAALN CCOc1cc(Cl)c(S(=O)(=O)Nc2cccnc2)cc1Cl ZINC000007348630 564107278 /nfs/dbraw/zinc/10/72/78/564107278.db2.gz FUOYKIGEVGEISF-UHFFFAOYSA-N 0 2 347.223 3.588 50 0 EHAALN CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000106216951 1044352166 /nfs/dbraw/zinc/35/21/66/1044352166.db2.gz RUGKVPGHVSQADZ-OAHLLOKOSA-N 0 2 333.863 3.815 50 0 EHAALN Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000055649182 214336783 /nfs/dbraw/zinc/33/67/83/214336783.db2.gz RICDPVHUCSVKCG-UHFFFAOYSA-N 0 2 327.837 3.535 50 0 EHAALN COc1ccccc1Nc1nnc(Cc2ccccc2Cl)c(=O)[nH]1 ZINC000004225148 210147480 /nfs/dbraw/zinc/14/74/80/210147480.db2.gz GHZIBGGEFKBIHP-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN COc1ccc(C(O)=CC(=O)c2ccc(Br)cc2)cc1 ZINC000102741379 219226668 /nfs/dbraw/zinc/22/66/68/219226668.db2.gz DRRNLIAGVGUFKK-UHFFFAOYSA-N 0 2 333.181 3.913 50 0 EHAALN CCc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1 ZINC000009686427 211114151 /nfs/dbraw/zinc/11/41/51/211114151.db2.gz OJWWRQWPOWPCQW-UHFFFAOYSA-N 0 2 347.465 3.810 50 0 EHAALN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)c1 ZINC000009657587 211111934 /nfs/dbraw/zinc/11/19/34/211111934.db2.gz JGJUYVHHNIXAGI-UHFFFAOYSA-N 0 2 349.419 3.951 50 0 EHAALN O=C([O-])Cc1cccc(-n2cc[nH+]c2-c2ccc(F)c(Cl)c2)c1 ZINC000077564279 563970341 /nfs/dbraw/zinc/97/03/41/563970341.db2.gz MINZLYQDBOSACV-UHFFFAOYSA-N 0 2 330.746 3.959 50 0 EHAALN Cc1cccc(S(=O)(=O)Nc2n[nH]cc2-c2cccc(Cl)c2)c1 ZINC000084213118 564067426 /nfs/dbraw/zinc/06/74/26/564067426.db2.gz UHQJJNNRKHQRSY-UHFFFAOYSA-N 0 2 347.827 3.839 50 0 EHAALN O=[P@@]([O-])(O)[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949501 564079789 /nfs/dbraw/zinc/07/97/89/564079789.db2.gz IZVZWRXPGQHJMQ-YJBOKZPZSA-N 0 2 349.342 3.712 50 0 EHAALN O=[P@]([O-])(O)[C@H]([NH2+]C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000012949501 564079790 /nfs/dbraw/zinc/07/97/90/564079790.db2.gz IZVZWRXPGQHJMQ-YJBOKZPZSA-N 0 2 349.342 3.712 50 0 EHAALN Cc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c1 ZINC000299738292 564150475 /nfs/dbraw/zinc/15/04/75/564150475.db2.gz RCJRUMXOMWXLBM-ZDUSSCGKSA-N 0 2 348.402 3.693 50 0 EHAALN Cc1cccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 ZINC000100071566 219090057 /nfs/dbraw/zinc/09/00/57/219090057.db2.gz LNZLMJUSYFRQIE-UHFFFAOYSA-N 0 2 333.416 3.978 50 0 EHAALN CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@H]1Cc1cccc2ccccc21 ZINC000100127633 219091791 /nfs/dbraw/zinc/09/17/91/219091791.db2.gz RWEOPSULUDRVEY-IBGZPJMESA-N 0 2 344.418 3.828 50 0 EHAALN Cc1nc(-c2csc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)no1 ZINC000021701788 212240741 /nfs/dbraw/zinc/24/07/41/212240741.db2.gz HVWMSOOCOPPPJH-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN COc1cc2ncc(C(=O)c3cc(Cl)ccc3O)cc2c(OC)c1 ZINC000020102565 212100404 /nfs/dbraw/zinc/10/04/04/212100404.db2.gz VBMAPFYQUVLLHX-UHFFFAOYSA-N 0 2 343.766 3.842 50 0 EHAALN CN(C[C@H]1CCOC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000096481549 218857216 /nfs/dbraw/zinc/85/72/16/218857216.db2.gz ZDYZPCJNDMGREW-CYBMUJFWSA-N 0 2 345.826 3.821 50 0 EHAALN CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000001074586 563373565 /nfs/dbraw/zinc/37/35/65/563373565.db2.gz QGUOELOVXIPBDH-UHFFFAOYSA-N 0 2 339.178 3.910 50 0 EHAALN COc1ccc(Cc2nnc(Nc3cccc(C)c3C)[nH]c2=O)cc1 ZINC000016806836 563824467 /nfs/dbraw/zinc/82/44/67/563824467.db2.gz PVRGHYSPDCJFFW-UHFFFAOYSA-N 0 2 336.395 3.537 50 0 EHAALN Cc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)cc3)c2)on1 ZINC000033290251 563973091 /nfs/dbraw/zinc/97/30/91/563973091.db2.gz MTETXRKYVOGXFD-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000000479917 564116757 /nfs/dbraw/zinc/11/67/57/564116757.db2.gz YVVFCMBRTOJFTA-UHFFFAOYSA-N 0 2 345.342 3.823 50 0 EHAALN O=C([O-])c1cc([NH2+]CCc2ccc(C(F)(F)F)cc2)ccc1O ZINC000034885635 564128422 /nfs/dbraw/zinc/12/84/22/564128422.db2.gz UTMVACIBQLDZLP-UHFFFAOYSA-N 0 2 325.286 3.764 50 0 EHAALN C[C@@H](C[NH2+][C@@H](c1ccc(F)c(F)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997530 564135856 /nfs/dbraw/zinc/13/58/56/564135856.db2.gz VOOWOTDGINXRPG-MEDUHNTESA-N 0 2 341.294 3.534 50 0 EHAALN C[C@@H](C[NH2+][C@@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997530 564135857 /nfs/dbraw/zinc/13/58/57/564135857.db2.gz VOOWOTDGINXRPG-MEDUHNTESA-N 0 2 341.294 3.534 50 0 EHAALN Cc1cc(-c2csc(S(=O)(=O)Nc3ccc(F)cc3)c2)on1 ZINC000049547513 214017586 /nfs/dbraw/zinc/01/75/86/214017586.db2.gz YQCWRVFTSYNDAL-UHFFFAOYSA-N 0 2 338.385 3.651 50 0 EHAALN CCCc1c(C)nc2[nH]c(SCc3ccccc3Cl)nn2c1=O ZINC000100133750 219092418 /nfs/dbraw/zinc/09/24/18/219092418.db2.gz NWQWDPVGQILUCU-UHFFFAOYSA-N 0 2 348.859 3.624 50 0 EHAALN CSc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 ZINC000020716882 212164063 /nfs/dbraw/zinc/16/40/63/212164063.db2.gz PIRXYQRVMHDXAG-UHFFFAOYSA-N 0 2 335.388 3.967 50 0 EHAALN O=S1(=O)NC(SCc2ccccc2)=Nc2ccc(Cl)cc21 ZINC000012361100 211356252 /nfs/dbraw/zinc/35/62/52/211356252.db2.gz PBKUJKQLJOTBQW-UHFFFAOYSA-N 0 2 338.841 3.744 50 0 EHAALN Cc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000091690376 218047432 /nfs/dbraw/zinc/04/74/32/218047432.db2.gz ODOSEGNPHJCCBW-GOSISDBHSA-N 0 2 344.842 3.596 50 0 EHAALN COC(=O)c1c(SCc2ccc(F)cc2)[nH]c2ccccc2c1=O ZINC000009300289 211063056 /nfs/dbraw/zinc/06/30/56/211063056.db2.gz GBCRVORJLYWQSM-UHFFFAOYSA-N 0 2 343.379 3.746 50 0 EHAALN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc21 ZINC000000911330 563365981 /nfs/dbraw/zinc/36/59/81/563365981.db2.gz SZMQKBJICFJMQE-UHFFFAOYSA-N 0 2 335.406 3.806 50 0 EHAALN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccnc1 ZINC000041091882 563924216 /nfs/dbraw/zinc/92/42/16/563924216.db2.gz SFNPTAWJVZYXHQ-UHFFFAOYSA-N 0 2 348.468 3.969 50 0 EHAALN CSc1nn2c(nc(C)c(Cc3cccc4ccccc43)c2=O)[nH]1 ZINC000018240877 564018929 /nfs/dbraw/zinc/01/89/29/564018929.db2.gz WCITVOPKXZWHTL-UHFFFAOYSA-N 0 2 336.420 3.604 50 0 EHAALN CN(Cc1nc2ccccc2s1)Cc1nc(=O)c2sccc2[nH]1 ZINC000012684435 564062654 /nfs/dbraw/zinc/06/26/54/564062654.db2.gz GYXVGWBQKIMPBE-UHFFFAOYSA-N 0 2 342.449 3.639 50 0 EHAALN Clc1ccc2c(c1)C=C(C[NH+]1CCC(n3cc[nH+]c3)CC1)CO2 ZINC000092648430 564089061 /nfs/dbraw/zinc/08/90/61/564089061.db2.gz QWMRTFXLOMVEQJ-UHFFFAOYSA-N 0 2 329.831 3.649 50 0 EHAALN O=c1nc(CSc2nc(-c3ccccc3)co2)[nH]c2ccsc21 ZINC000195096841 564122759 /nfs/dbraw/zinc/12/27/59/564122759.db2.gz ULVSWZJYVJRNKW-UHFFFAOYSA-N 0 2 341.417 3.932 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCC[C@@H](C)[C@@H]1C)c2=O ZINC000020645198 564141719 /nfs/dbraw/zinc/14/17/19/564141719.db2.gz VBIHYWPJMKUNNZ-JRPNMDOOSA-N 0 2 346.452 3.843 50 0 EHAALN O=c1[nH]c(Nc2cccc(Cl)c2Cl)nnc1Cc1ccccc1 ZINC000002718740 564152220 /nfs/dbraw/zinc/15/22/20/564152220.db2.gz WWJMZIGFKOEYFZ-UHFFFAOYSA-N 0 2 347.205 3.806 50 0 EHAALN Cc1cc(O)c(C(=O)C=Cc2ccc(-c3ccccc3)cc2)c(=O)o1 ZINC000034705145 1129823730 /nfs/dbraw/zinc/82/37/30/1129823730.db2.gz AYDSXJQLMORBSH-FNUUXAGOSA-N 0 2 332.355 3.582 50 0 EHAALN COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000003328287 210008097 /nfs/dbraw/zinc/00/80/97/210008097.db2.gz QICYCGZIHDYWGG-UHFFFAOYSA-N 0 2 338.237 3.864 50 0 EHAALN O=S(=O)(Nc1cccc(OCc2ccncc2)c1)c1cccs1 ZINC000041616307 213457411 /nfs/dbraw/zinc/45/74/11/213457411.db2.gz HZOLNMKNBKIBOF-UHFFFAOYSA-N 0 2 346.433 3.523 50 0 EHAALN CCOc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 ZINC000020735499 212166987 /nfs/dbraw/zinc/16/69/87/212166987.db2.gz YVUKQDSGOWVUII-UHFFFAOYSA-N 0 2 333.347 3.644 50 0 EHAALN COc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)[nH]c2=O)cc1 ZINC000008997445 211029994 /nfs/dbraw/zinc/02/99/94/211029994.db2.gz YRFDPDGJBDPDSM-UHFFFAOYSA-N 0 2 336.395 3.537 50 0 EHAALN COc1cc(OC)cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000004842950 210296330 /nfs/dbraw/zinc/29/63/30/210296330.db2.gz UAIFFXFXSOKEKD-UHFFFAOYSA-N 0 2 342.178 3.969 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C ZINC000007053196 564103860 /nfs/dbraw/zinc/10/38/60/564103860.db2.gz ZQNWOMVGWBSNHW-UHFFFAOYSA-N 0 2 346.271 3.928 50 0 EHAALN O=S(=O)(Cc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 ZINC000002873858 563459385 /nfs/dbraw/zinc/45/93/85/563459385.db2.gz KJZXARPYPPZCGN-UHFFFAOYSA-N 0 2 342.873 3.617 50 0 EHAALN COc1ccc(-c2[nH]nc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1 ZINC000013126579 563689602 /nfs/dbraw/zinc/68/96/02/563689602.db2.gz JWQDDMNOFLXSDL-UHFFFAOYSA-N 0 2 346.390 3.952 50 0 EHAALN O=S(=O)(Nc1cccc2cccnc21)c1cccc2ncccc21 ZINC000058365792 563943808 /nfs/dbraw/zinc/94/38/08/563943808.db2.gz XTCMVSVAJOXHOG-UHFFFAOYSA-N 0 2 335.388 3.584 50 0 EHAALN CC1=C(C)CN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000225469669 564047054 /nfs/dbraw/zinc/04/70/54/564047054.db2.gz ABVQFQWUUOTYLZ-UHFFFAOYSA-N 0 2 344.636 3.990 50 0 EHAALN CCCC1CCC([NH2+]CCc2cccc(F)c2)([P@@](=O)([O-])O)CC1 ZINC000012907707 564077814 /nfs/dbraw/zinc/07/78/14/564077814.db2.gz ODBKISLRJQIZQO-UHFFFAOYSA-N 0 2 343.379 3.822 50 0 EHAALN CCCC1CCC([NH2+]CCc2cccc(F)c2)([P@](=O)([O-])O)CC1 ZINC000012907707 564077815 /nfs/dbraw/zinc/07/78/15/564077815.db2.gz ODBKISLRJQIZQO-UHFFFAOYSA-N 0 2 343.379 3.822 50 0 EHAALN CC[C@@H](C)[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F ZINC000278223736 564084571 /nfs/dbraw/zinc/08/45/71/564084571.db2.gz UQXHEBFDAIOSLM-GCXOYZPQSA-N 0 2 329.240 3.516 50 0 EHAALN COc1ccccc1[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000089473588 564090756 /nfs/dbraw/zinc/09/07/56/564090756.db2.gz PBCWRNHLSZPVPI-LLVKDONJSA-N 0 2 349.789 3.823 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)s2)o1 ZINC000064920031 564097671 /nfs/dbraw/zinc/09/76/71/564097671.db2.gz FPZCXPVXZZLIRO-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN CCn1nccc1-c1csc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000065112416 564101292 /nfs/dbraw/zinc/10/12/92/564101292.db2.gz QMYCMXPNEHBXJW-UHFFFAOYSA-N 0 2 347.465 3.741 50 0 EHAALN C[C@H](C[NH2+][C@H](c1ccc(F)c(F)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997536 564135833 /nfs/dbraw/zinc/13/58/33/564135833.db2.gz VOOWOTDGINXRPG-BZNIZROVSA-N 0 2 341.294 3.534 50 0 EHAALN C[C@H](C[NH2+][C@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997536 564135834 /nfs/dbraw/zinc/13/58/34/564135834.db2.gz VOOWOTDGINXRPG-BZNIZROVSA-N 0 2 341.294 3.534 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(Cl)c1 ZINC000022514162 212303435 /nfs/dbraw/zinc/30/34/35/212303435.db2.gz OWJUPDLRSKXKFC-UHFFFAOYSA-N 0 2 332.812 3.997 50 0 EHAALN O=c1[n-]c(Nc2ccc([NH+]3CCCCC3)cc2)nnc1-c1ccccc1 ZINC000011905829 211266407 /nfs/dbraw/zinc/26/64/07/211266407.db2.gz MCHMOXREVHGAID-UHFFFAOYSA-N 0 2 347.422 3.566 50 0 EHAALN O=S(=O)(Nc1n[nH]c2cccc(Cl)c21)c1ccc(Cl)cc1 ZINC000000142652 563242920 /nfs/dbraw/zinc/24/29/20/563242920.db2.gz NPSYBDLSGBCIDW-UHFFFAOYSA-N 0 2 342.207 3.671 50 0 EHAALN CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000001173524 563377310 /nfs/dbraw/zinc/37/73/10/563377310.db2.gz PUXXHSNYEGICQM-UHFFFAOYSA-N 0 2 341.816 3.548 50 0 EHAALN C[C@H](C[NH2+][C@@H](c1cccc(Cl)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997524 563683810 /nfs/dbraw/zinc/68/38/10/563683810.db2.gz ASGIEMFZUXVBFN-MLGOLLRUSA-N 0 2 339.759 3.910 50 0 EHAALN C[C@H](C[NH2+][C@@H](c1cccc(Cl)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997524 563683812 /nfs/dbraw/zinc/68/38/12/563683812.db2.gz ASGIEMFZUXVBFN-MLGOLLRUSA-N 0 2 339.759 3.910 50 0 EHAALN Cc1nnc(SCc2cccc(Oc3ccccc3)c2)[nH]c1=O ZINC000018086147 564017937 /nfs/dbraw/zinc/01/79/37/564017937.db2.gz YLKFGAKMWNJVHI-UHFFFAOYSA-N 0 2 325.393 3.970 50 0 EHAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1cccs1 ZINC000101275685 564019346 /nfs/dbraw/zinc/01/93/46/564019346.db2.gz AUVXLFRTNFTSGD-UHFFFAOYSA-N 0 2 331.447 3.779 50 0 EHAALN COC(=O)c1c(SCc2ccc(C)cc2)[nH]c2ccccc2c1=O ZINC000015731498 564072654 /nfs/dbraw/zinc/07/26/54/564072654.db2.gz JAGNQXUOMPQIOS-UHFFFAOYSA-N 0 2 339.416 3.915 50 0 EHAALN CSCCc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1 ZINC000185790489 564074871 /nfs/dbraw/zinc/07/48/71/564074871.db2.gz CNVAIVQTRBGCHU-UHFFFAOYSA-N 0 2 341.354 3.967 50 0 EHAALN COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000006706918 564096240 /nfs/dbraw/zinc/09/62/40/564096240.db2.gz YVBIXROGJRXBAE-UHFFFAOYSA-N 0 2 348.811 3.698 50 0 EHAALN C[C@@H](C[NH2+][C@H](c1ccc(F)c(F)c1)[P@@](=O)([O-])O)c1ccccc1 ZINC000012997533 564135852 /nfs/dbraw/zinc/13/58/52/564135852.db2.gz VOOWOTDGINXRPG-ZBEGNZNMSA-N 0 2 341.294 3.534 50 0 EHAALN C[C@@H](C[NH2+][C@H](c1ccc(F)c(F)c1)[P@](=O)([O-])O)c1ccccc1 ZINC000012997533 564135853 /nfs/dbraw/zinc/13/58/53/564135853.db2.gz VOOWOTDGINXRPG-ZBEGNZNMSA-N 0 2 341.294 3.534 50 0 EHAALN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000333574017 1041736434 /nfs/dbraw/zinc/73/64/34/1041736434.db2.gz QFUNVZNZYKHRBH-INIZCTEOSA-N 0 2 342.830 3.798 50 0 EHAALN COc1ccccc1-n1c(S)nc2c(-c3ccccc3)c[nH]c2c1=O ZINC000100071582 219089719 /nfs/dbraw/zinc/08/97/19/219089719.db2.gz LMCJZLDAJQOMQY-UHFFFAOYSA-N 0 2 349.415 3.678 50 0 EHAALN O=c1cc(CSc2ccccn2)[nH]n1-c1nc2ccccc2s1 ZINC000100134568 219092236 /nfs/dbraw/zinc/09/22/36/219092236.db2.gz MFOSTCGTGBMDIS-UHFFFAOYSA-N 0 2 340.433 3.875 50 0 EHAALN O=c1c2c(nc3c(-c4cccc(Br)c4)c[nH]n31)CCCC2 ZINC000100642274 219103294 /nfs/dbraw/zinc/10/32/94/219103294.db2.gz CQWHEDALYIXIOW-UHFFFAOYSA-N 0 2 344.212 3.743 50 0 EHAALN Cc1ncsc1CC[N@@H+](C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095369876 218303329 /nfs/dbraw/zinc/30/33/29/218303329.db2.gz DTFDVLSHEFPGMY-CQSZACIVSA-N 0 2 342.823 3.544 50 0 EHAALN Cc1ncsc1CC[N@H+](C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095369876 218303331 /nfs/dbraw/zinc/30/33/31/218303331.db2.gz DTFDVLSHEFPGMY-CQSZACIVSA-N 0 2 342.823 3.544 50 0 EHAALN COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1OC ZINC000000367795 564012435 /nfs/dbraw/zinc/01/24/35/564012435.db2.gz NXCMMGNAQGQKQD-UHFFFAOYSA-N 0 2 342.178 3.969 50 0 EHAALN Cc1nc(N2CCC[C@](C/C=C/c3ccccc3)(C(=O)[O-])C2)cc[nH+]1 ZINC000071767697 563965569 /nfs/dbraw/zinc/96/55/69/563965569.db2.gz QSKBYULSADLCEJ-MRSBXDGLSA-N 0 2 337.423 3.560 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000075351817 564082024 /nfs/dbraw/zinc/08/20/24/564082024.db2.gz MKWDFFPWOCPRIF-UHFFFAOYSA-N 0 2 339.829 3.592 50 0 EHAALN O=c1c(Oc2ccc(Br)cc2)coc2cc(O)cc(O)c12 ZINC000006557400 564092028 /nfs/dbraw/zinc/09/20/28/564092028.db2.gz SDIKDVUXKIIIOD-UHFFFAOYSA-N 0 2 349.136 3.759 50 0 biogenic EHAALN CCc1ccccc1NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031074 564099733 /nfs/dbraw/zinc/09/97/33/564099733.db2.gz BAVVLOAABTUQCL-UHFFFAOYSA-N 0 2 334.422 3.766 50 0 EHAALN Cc1cccc(C)c1NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031071 564099747 /nfs/dbraw/zinc/09/97/47/564099747.db2.gz IJFOEYCOVPDYFR-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000120283271 1014899138 /nfs/dbraw/zinc/89/91/38/1014899138.db2.gz YPLDOOCVDZVXJJ-UHFFFAOYSA-N 0 2 328.846 3.783 50 0 EHAALN COc1ccccc1Cn1c(=O)c2oc3ccccc3c2[nH]c1=S ZINC000100026637 219089220 /nfs/dbraw/zinc/08/92/20/219089220.db2.gz NQKLQRQTARKXEW-UHFFFAOYSA-N 0 2 338.388 3.862 50 0 EHAALN O=C([O-])c1ccc(Cn2cc[nH+]c2-c2ccc(O)c(Cl)c2)cc1 ZINC000072157074 216047344 /nfs/dbraw/zinc/04/73/44/216047344.db2.gz XORDYADQOJKMHD-UHFFFAOYSA-N 0 2 328.755 3.656 50 0 EHAALN Cc1cc(NS(=O)(=O)c2cccs2)ccc1Br ZINC000000378916 563299416 /nfs/dbraw/zinc/29/94/16/563299416.db2.gz SBSBBAFFUFDTNR-UHFFFAOYSA-N 0 2 332.244 3.620 50 0 EHAALN CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1 ZINC000041095734 563924274 /nfs/dbraw/zinc/92/42/74/563924274.db2.gz ZGAARBCOVNAZEN-UHFFFAOYSA-N 0 2 340.832 3.715 50 0 EHAALN c1ncc(-c2cccc(CNc3nc(C4CCCC4)ns3)c2)o1 ZINC000585139204 563971965 /nfs/dbraw/zinc/97/19/65/563971965.db2.gz UEMAUMNIGVCDRA-UHFFFAOYSA-N 0 2 326.425 3.885 50 0 EHAALN COc1ccc(-n2cc(C(=O)c3ccc4ccccc4c3O)cn2)cc1 ZINC000001395039 564064684 /nfs/dbraw/zinc/06/46/84/564064684.db2.gz LLLTULSFLRBWJA-UHFFFAOYSA-N 0 2 344.370 3.971 50 0 EHAALN O=c1c(-c2ccccc2)nc(-c2ccc(Br)cc2)cn1O ZINC000001396725 564064911 /nfs/dbraw/zinc/06/49/11/564064911.db2.gz IIUCVUNVQGVCPC-UHFFFAOYSA-N 0 2 343.180 3.577 50 0 EHAALN CCc1ccc([C@H]([NH2+]CCc2ccccc2C)[P@@](=O)([O-])O)cc1 ZINC000012949474 564079782 /nfs/dbraw/zinc/07/97/82/564079782.db2.gz ARCMVNIYOPROKV-GOSISDBHSA-N 0 2 333.368 3.566 50 0 EHAALN CCc1ccc([C@H]([NH2+]CCc2ccccc2C)[P@](=O)([O-])O)cc1 ZINC000012949474 564079783 /nfs/dbraw/zinc/07/97/83/564079783.db2.gz ARCMVNIYOPROKV-GOSISDBHSA-N 0 2 333.368 3.566 50 0 EHAALN CCOc1ccccc1-c1noc(-c2c[nH]c3ccc(C)cc3c2=O)n1 ZINC000075352732 564082014 /nfs/dbraw/zinc/08/20/14/564082014.db2.gz LZEQTRYIRNUPMW-UHFFFAOYSA-N 0 2 347.374 3.952 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c(C)c1O ZINC000065504023 564106643 /nfs/dbraw/zinc/10/66/43/564106643.db2.gz GEDHTJFRHMOLOY-UHFFFAOYSA-N 0 2 347.223 3.512 50 0 EHAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000007402828 564107929 /nfs/dbraw/zinc/10/79/29/564107929.db2.gz VXTQGSSTDFHDAV-UHFFFAOYSA-N 0 2 335.734 3.867 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCC[C@@H](C)[C@H]1C)c2=O ZINC000003912004 564159678 /nfs/dbraw/zinc/15/96/78/564159678.db2.gz VBIHYWPJMKUNNZ-UEKVPHQBSA-N 0 2 346.452 3.843 50 0 EHAALN Cc1noc(C)c1C[N@H+](C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823702943 1131079269 /nfs/dbraw/zinc/07/92/69/1131079269.db2.gz LLBHYGUCDWKOJJ-UHFFFAOYSA-N 0 2 333.501 3.971 50 0 EHAALN CCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(C)cc2)c1=O ZINC000100705269 219105072 /nfs/dbraw/zinc/10/50/72/219105072.db2.gz XJTPOXQXFOPMQA-UHFFFAOYSA-N 0 2 336.391 3.678 50 0 EHAALN CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000236852279 242382397 /nfs/dbraw/zinc/38/23/97/242382397.db2.gz ZQWAXBCQBAYIPG-INIZCTEOSA-N 0 2 330.453 3.983 50 0 EHAALN CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000236852279 242382404 /nfs/dbraw/zinc/38/24/04/242382404.db2.gz ZQWAXBCQBAYIPG-INIZCTEOSA-N 0 2 330.453 3.983 50 0 EHAALN CC(C)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000236852242 242382970 /nfs/dbraw/zinc/38/29/70/242382970.db2.gz ZQWAXBCQBAYIPG-MRXNPFEDSA-N 0 2 330.453 3.983 50 0 EHAALN CC(C)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000236852242 242382972 /nfs/dbraw/zinc/38/29/72/242382972.db2.gz ZQWAXBCQBAYIPG-MRXNPFEDSA-N 0 2 330.453 3.983 50 0 EHAALN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 ZINC000000617137 563359172 /nfs/dbraw/zinc/35/91/72/563359172.db2.gz DVLOFWGQZSYZKC-UHFFFAOYSA-N 0 2 325.459 3.551 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000006368707 563566013 /nfs/dbraw/zinc/56/60/13/563566013.db2.gz GTDZFMYHSVQFKB-UHFFFAOYSA-N 0 2 346.271 3.928 50 0 EHAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000012560768 563663215 /nfs/dbraw/zinc/66/32/15/563663215.db2.gz BQMUDLHYXSDHKL-UHFFFAOYSA-N 0 2 348.468 3.887 50 0 EHAALN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1ccc(Cl)cc1 ZINC000071770870 563965672 /nfs/dbraw/zinc/96/56/72/563965672.db2.gz WEEIRBVNPBVCAR-UHFFFAOYSA-N 0 2 341.820 3.572 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2cc(-c3cc[nH]n3)cs2)c1C ZINC000065112312 564101285 /nfs/dbraw/zinc/10/12/85/564101285.db2.gz LBPRAIKNQICHNX-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN Cc1nc(-c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cs1 ZINC000007726343 564122308 /nfs/dbraw/zinc/12/23/08/564122308.db2.gz GBGLOLBDQVVVRX-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN O=C(c1ccccc1)c1ccc2c(c1O)[C@H](c1ccco1)CC(=O)O2 ZINC000253402037 564130596 /nfs/dbraw/zinc/13/05/96/564130596.db2.gz FZNZVYLCBYHDJO-AWEZNQCLSA-N 0 2 334.327 3.657 50 0 biogenic EHAALN CCCc1c(C)nc2[nH]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000100133782 219092251 /nfs/dbraw/zinc/09/22/51/219092251.db2.gz VZIJPOKYFYYAFB-UHFFFAOYSA-N 0 2 348.859 3.624 50 0 EHAALN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1ccco1 ZINC000028580785 212626635 /nfs/dbraw/zinc/62/66/35/212626635.db2.gz LHNZNDOHQWAGNQ-GFCCVEGCSA-N 0 2 345.786 3.584 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1 ZINC000009467974 211087190 /nfs/dbraw/zinc/08/71/90/211087190.db2.gz NDJNRKSFHDFPCS-UHFFFAOYSA-N 0 2 332.208 3.808 50 0 EHAALN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000177021208 257953902 /nfs/dbraw/zinc/95/39/02/257953902.db2.gz HYCASDYXNLXVJK-UHFFFAOYSA-N 0 2 348.349 3.907 50 0 EHAALN O=c1c2oc3ccc(Cl)cc3c2[nH]c(=S)n1Cc1cccnc1 ZINC000101270642 564024941 /nfs/dbraw/zinc/02/49/41/564024941.db2.gz OWMIKEZHXXTECH-UHFFFAOYSA-N 0 2 343.795 3.902 50 0 EHAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c1 ZINC000065031122 564099790 /nfs/dbraw/zinc/09/97/90/564099790.db2.gz ONILIPVDYMMMIQ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1nnc(SCc2cc(=O)oc3cc(O)c(Cl)cc23)s1 ZINC000071794540 564111131 /nfs/dbraw/zinc/11/11/31/564111131.db2.gz UDZZPHBJSIQJAW-UHFFFAOYSA-N 0 2 340.813 3.604 50 0 EHAALN O=C(c1ccccc1)c1ccc2c(c1O)[C@@H](c1ccco1)CC(=O)O2 ZINC000253402041 564130592 /nfs/dbraw/zinc/13/05/92/564130592.db2.gz FZNZVYLCBYHDJO-CQSZACIVSA-N 0 2 334.327 3.657 50 0 biogenic EHAALN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cccs1 ZINC000002771015 564152546 /nfs/dbraw/zinc/15/25/46/564152546.db2.gz ZHEGWBHJBLVNDT-UHFFFAOYSA-N 0 2 339.772 3.804 50 0 EHAALN O=c1nc(CN(Cc2ccccc2F)C2CC2)[nH]c2ccsc21 ZINC000056681674 214383517 /nfs/dbraw/zinc/38/35/17/214383517.db2.gz WYAPCVJIXNTBDI-UHFFFAOYSA-N 0 2 329.400 3.701 50 0 EHAALN COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 ZINC000072238550 216077160 /nfs/dbraw/zinc/07/71/60/216077160.db2.gz GRJYVIONWASQEC-UHFFFAOYSA-N 0 2 343.770 3.697 50 0 EHAALN C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1nc2ccccc2[nH]1 ZINC000078995486 217168634 /nfs/dbraw/zinc/16/86/34/217168634.db2.gz DQPDEQUBUCHJDT-QMMMGPOBSA-N 0 2 333.750 3.552 50 0 EHAALN Cc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)c(C)c1 ZINC000011357771 211213314 /nfs/dbraw/zinc/21/33/14/211213314.db2.gz ICLVRHBWHPMYCM-UHFFFAOYSA-N 0 2 349.419 3.951 50 0 EHAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1O ZINC000170623994 258071573 /nfs/dbraw/zinc/07/15/73/258071573.db2.gz LVSAMOMJNVHPLN-UHFFFAOYSA-N 0 2 349.452 3.889 50 0 EHAALN COc1ccc(CCn2c(=O)c3cc(C)sc3[nH]c2=S)cc1 ZINC000017068449 563832437 /nfs/dbraw/zinc/83/24/37/563832437.db2.gz XLWMAEUWNVOYRP-UHFFFAOYSA-N 0 2 332.450 3.680 50 0 EHAALN CCOc1ccccc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024250201 563870226 /nfs/dbraw/zinc/87/02/26/563870226.db2.gz HSNNCUFRXNXNJU-UHFFFAOYSA-N 0 2 342.420 3.743 50 0 EHAALN Cc1[nH+]c(CN2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c2ccccn12 ZINC000077505392 563970090 /nfs/dbraw/zinc/97/00/90/563970090.db2.gz USSQALCWNZSSKO-LJQANCHMSA-N 0 2 349.413 3.995 50 0 EHAALN O=c1c2ccc(Cl)cc2nc(-c2cccc(C(F)(F)F)c2)n1O ZINC000005428077 564003873 /nfs/dbraw/zinc/00/38/73/564003873.db2.gz WLMYZFDFXUHTHH-UHFFFAOYSA-N 0 2 340.688 3.973 50 0 aggregator EHAALN Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)s1 ZINC000069572886 564031981 /nfs/dbraw/zinc/03/19/81/564031981.db2.gz IRGYSXZCDAWOOC-UHFFFAOYSA-N 0 2 336.482 3.848 50 0 in-vitro EHAALN Cc1cc(C)cc(N2CC(=O)c3c4nc5ccccc5n4cnc32)c1 ZINC000082237993 564056326 /nfs/dbraw/zinc/05/63/26/564056326.db2.gz SMJDQFTYESMITE-UHFFFAOYSA-N 0 2 328.375 3.834 50 0 EHAALN O=C([O-])c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000263573568 564059663 /nfs/dbraw/zinc/05/96/63/564059663.db2.gz MNKSHTDTIPUOQP-KRWDZBQOSA-N 0 2 349.789 3.751 50 0 EHAALN O=C([O-])c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000263573568 564059664 /nfs/dbraw/zinc/05/96/64/564059664.db2.gz MNKSHTDTIPUOQP-KRWDZBQOSA-N 0 2 349.789 3.751 50 0 EHAALN CCc1cccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)c1 ZINC000075351854 564082046 /nfs/dbraw/zinc/08/20/46/564082046.db2.gz NNOSXYWUXZDXBY-UHFFFAOYSA-N 0 2 333.438 3.501 50 0 EHAALN CC(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000003128517 564155320 /nfs/dbraw/zinc/15/53/20/564155320.db2.gz WLHGVGYEUCQFHI-UHFFFAOYSA-N 0 2 344.219 3.997 50 0 EHAALN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C ZINC000000384698 209563913 /nfs/dbraw/zinc/56/39/13/209563913.db2.gz PRMAUWZBWDVHQK-UHFFFAOYSA-N 0 2 340.832 3.551 50 0 EHAALN CCOc1ccc(C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414289 216205041 /nfs/dbraw/zinc/20/50/41/216205041.db2.gz PPHKISFMXAXHFS-UHFFFAOYSA-N 0 2 342.420 3.743 50 0 EHAALN COc1ccc(C)cc1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000011615533 211226456 /nfs/dbraw/zinc/22/64/56/211226456.db2.gz KPGDYOUDVRHVEQ-UHFFFAOYSA-N 0 2 348.449 3.723 50 0 EHAALN CCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12 ZINC000008714952 210986730 /nfs/dbraw/zinc/98/67/30/210986730.db2.gz AHAJIHVGRWGFMW-UHFFFAOYSA-N 0 2 342.420 3.743 50 0 EHAALN COc1ccc(OC)c(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000000081701 563218479 /nfs/dbraw/zinc/21/84/79/563218479.db2.gz GHKSAXKKOIYBOE-UHFFFAOYSA-N 0 2 343.404 3.658 50 0 EHAALN O=c1cc(-c2ccccc2)nc2[nH]c(SCc3ccccc3)nn21 ZINC000008673141 563634983 /nfs/dbraw/zinc/63/49/83/563634983.db2.gz WGSHEMHWSHZPNU-UHFFFAOYSA-N 0 2 334.404 3.789 50 0 EHAALN CCc1cc2c([nH]c(=S)n(CCc3ccc(OC)cc3)c2=O)s1 ZINC000017072162 563835674 /nfs/dbraw/zinc/83/56/74/563835674.db2.gz IASVZGKXPFURSM-UHFFFAOYSA-N 0 2 346.477 3.934 50 0 EHAALN Cc1nc(N2CCC[C@@](C/C=C/c3ccccc3)(C(=O)[O-])C2)cc[nH+]1 ZINC000071767696 563965582 /nfs/dbraw/zinc/96/55/82/563965582.db2.gz QSKBYULSADLCEJ-MVHVFESUSA-N 0 2 337.423 3.560 50 0 EHAALN CCOc1ccc2nc(NS(=O)(=O)c3cccc(C)c3)sc2c1 ZINC000033707576 563993892 /nfs/dbraw/zinc/99/38/92/563993892.db2.gz JWVBHIVGIJGAAL-UHFFFAOYSA-N 0 2 348.449 3.804 50 0 EHAALN CCOc1cc2[nH]c(=S)n(CCC(C)C)c(=O)c2cc1OCC ZINC000000425113 563998577 /nfs/dbraw/zinc/99/85/77/563998577.db2.gz RIFNMZMPDSNVRR-UHFFFAOYSA-N 0 2 336.457 3.903 50 0 EHAALN COc1ccc(C(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000617806 564012902 /nfs/dbraw/zinc/01/29/02/564012902.db2.gz ONULOLRSJBLZFQ-UHFFFAOYSA-N 0 2 340.400 3.505 50 0 EHAALN COc1ccc(Cc2nnc(Nc3cccc(Cl)c3)[nH]c2=O)cc1 ZINC000018206559 564018814 /nfs/dbraw/zinc/01/88/14/564018814.db2.gz RONMSECKSMCLKG-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN Cc1nc2[nH]c(CCc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000018219921 564018873 /nfs/dbraw/zinc/01/88/73/564018873.db2.gz YJZDCNOQJQLOAD-UHFFFAOYSA-N 0 2 344.418 3.514 50 0 EHAALN COCc1cc(F)ccc1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000192502694 564090204 /nfs/dbraw/zinc/09/02/04/564090204.db2.gz LLTHQDWNVLXUNJ-UHFFFAOYSA-N 0 2 327.714 3.723 50 0 EHAALN CCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000065112438 564101283 /nfs/dbraw/zinc/10/12/83/564101283.db2.gz YDDBBUYIQJTBFI-UHFFFAOYSA-N 0 2 347.465 3.741 50 0 EHAALN CC(C)(C)c1ccccc1S(=O)(=O)Nc1n[nH]c2ccccc21 ZINC000076061723 564115193 /nfs/dbraw/zinc/11/51/93/564115193.db2.gz HUDRWCKFJMRBSK-UHFFFAOYSA-N 0 2 329.425 3.661 50 0 EHAALN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(C)s2)n1 ZINC000032086728 564160624 /nfs/dbraw/zinc/16/06/24/564160624.db2.gz MLOZDMHSVJWXLE-UHFFFAOYSA-N 0 2 347.465 3.660 50 0 EHAALN Cc1c[nH+]c([C@H]2CC[N@H+](Cc3cccnc3)C2)n1Cc1ccccc1 ZINC000169791953 1032661703 /nfs/dbraw/zinc/66/17/03/1032661703.db2.gz STEKGVIJRAHVIK-FQEVSTJZSA-N 0 2 332.451 3.624 50 0 EHAALN Cc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1 ZINC000040155821 213274483 /nfs/dbraw/zinc/27/44/83/213274483.db2.gz KNFOOSXEQQDMCJ-HNNXBMFYSA-N 0 2 343.370 3.885 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(-c2ccno2)s1 ZINC000036360628 213090833 /nfs/dbraw/zinc/09/08/33/213090833.db2.gz QQTXRPXXLVYEBL-UHFFFAOYSA-N 0 2 340.813 3.857 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)s2)n[nH]1 ZINC000009686483 211114108 /nfs/dbraw/zinc/11/41/08/211114108.db2.gz CTKFFRHAHKCLGI-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN CC(C)(C)c1nnc(Nc2ccc(Nc3ccccc3)cc2)[nH]c1=O ZINC000016777031 563822943 /nfs/dbraw/zinc/82/29/43/563822943.db2.gz TVMKVKCMHKSCBC-UHFFFAOYSA-N 0 2 335.411 3.950 50 0 EHAALN O=S(=O)([O-])c1cccc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000071770821 563965647 /nfs/dbraw/zinc/96/56/47/563965647.db2.gz NZSGUYZDIYULJR-UHFFFAOYSA-N 0 2 334.784 3.879 50 0 EHAALN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1 ZINC000000187838 563987997 /nfs/dbraw/zinc/98/79/97/563987997.db2.gz GCAIHYMXLHPWPZ-UHFFFAOYSA-N 0 2 334.379 3.531 50 0 EHAALN CCc1cc2c(cc1O)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005686748 564018745 /nfs/dbraw/zinc/01/87/45/564018745.db2.gz LMITXBAIZCENSG-UHFFFAOYSA-N 0 2 338.359 3.808 50 0 biogenic EHAALN COc1ccc(CSCc2nc(=O)c3sccc3[nH]2)cc1F ZINC000012569688 564059842 /nfs/dbraw/zinc/05/98/42/564059842.db2.gz IMEUWWKAIKVJSN-UHFFFAOYSA-N 0 2 336.413 3.566 50 0 EHAALN CCc1ccc([C@@H]([NH2+]CCc2ccccc2C)[P@@](=O)([O-])O)cc1 ZINC000012949471 564079820 /nfs/dbraw/zinc/07/98/20/564079820.db2.gz ARCMVNIYOPROKV-SFHVURJKSA-N 0 2 333.368 3.566 50 0 EHAALN CCc1ccc([C@@H]([NH2+]CCc2ccccc2C)[P@](=O)([O-])O)cc1 ZINC000012949471 564079821 /nfs/dbraw/zinc/07/98/21/564079821.db2.gz ARCMVNIYOPROKV-SFHVURJKSA-N 0 2 333.368 3.566 50 0 EHAALN COc1ccc(OC)c(-c2noc(Nc3ccc(F)cc3F)n2)c1 ZINC000075403063 564084004 /nfs/dbraw/zinc/08/40/04/564084004.db2.gz KXKYWFORTZSIEV-UHFFFAOYSA-N 0 2 333.294 3.776 50 0 EHAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)o1 ZINC000064920025 564097689 /nfs/dbraw/zinc/09/76/89/564097689.db2.gz BQNNZIACNLEJIQ-UHFFFAOYSA-N 0 2 349.437 3.524 50 0 EHAALN COc1ccccc1S(=O)(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000002638134 564151601 /nfs/dbraw/zinc/15/16/01/564151601.db2.gz SYWCFNLPYQLCSN-UHFFFAOYSA-N 0 2 348.449 3.723 50 0 EHAALN O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(F)cc1F ZINC000008195492 564163529 /nfs/dbraw/zinc/16/35/29/564163529.db2.gz QMVXFJSHKXKFJT-UHFFFAOYSA-N 0 2 337.269 3.784 50 0 EHAALN O=S(=O)(Nc1nc2c(cccc2F)s1)c1ccc(Cl)cc1 ZINC000008864668 564167507 /nfs/dbraw/zinc/16/75/07/564167507.db2.gz GXSZDGMLIZJOMF-UHFFFAOYSA-N 0 2 342.804 3.890 50 0 EHAALN CCc1ccc([C@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[nH]s2)o1 ZINC000331694540 1041070710 /nfs/dbraw/zinc/07/07/10/1041070710.db2.gz YSIQTMRMWSFODN-GFCCVEGCSA-N 0 2 348.472 3.782 50 0 EHAALN O=C1CCCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c21 ZINC000000793395 209686608 /nfs/dbraw/zinc/68/66/08/209686608.db2.gz AKCIYYAZTIKGOL-UHFFFAOYSA-N 0 2 347.417 3.814 50 0 EHAALN O=C([O-])c1cn2c(ccc3c2nc(C(F)(F)F)cc3C(F)(F)F)[nH+]1 ZINC000000167468 209460503 /nfs/dbraw/zinc/46/05/03/209460503.db2.gz WUPWHEKPOBYAMX-UHFFFAOYSA-N 0 2 349.190 3.618 50 0 EHAALN Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1 ZINC000091690225 218047996 /nfs/dbraw/zinc/04/79/96/218047996.db2.gz HYRZKSBDSAVAIS-SFHVURJKSA-N 0 2 344.842 3.596 50 0 EHAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)s2)c1C ZINC000009686839 211113239 /nfs/dbraw/zinc/11/32/39/211113239.db2.gz UOTFHCGKIOGEMU-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3)s2)o1 ZINC000065003947 258062517 /nfs/dbraw/zinc/06/25/17/258062517.db2.gz WSEWXBVAJPMXHI-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1cccc(C)c1NS(=O)(=O)c1ccc(Br)s1 ZINC000000469493 563330194 /nfs/dbraw/zinc/33/01/94/563330194.db2.gz MKNXTAUUGCJGMA-UHFFFAOYSA-N 0 2 346.271 3.928 50 0 EHAALN CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000003128525 563473460 /nfs/dbraw/zinc/47/34/60/563473460.db2.gz DYFTYCDJLYVHJF-UHFFFAOYSA-N 0 2 343.326 3.709 50 0 EHAALN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1O ZINC000006706924 563581286 /nfs/dbraw/zinc/58/12/86/563581286.db2.gz BLUCYQWHBDPYST-UHFFFAOYSA-N 0 2 335.425 3.715 50 0 EHAALN CSc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000058202208 563939753 /nfs/dbraw/zinc/93/97/53/563939753.db2.gz RZACIMQTWZJKKC-UHFFFAOYSA-N 0 2 349.264 3.911 50 0 EHAALN CC(C)c1nc(/C=C/c2[nH+]ccn2-c2ccccc2)ncc1C(=O)[O-] ZINC000191302775 564001890 /nfs/dbraw/zinc/00/18/90/564001890.db2.gz TYCCWODPHYHOSO-CMDGGOBGSA-N 0 2 334.379 3.654 50 0 EHAALN Cc1cc(O)cc2oc(C(F)(F)F)c(-c3cscn3)c(=O)c12 ZINC000006404178 564085478 /nfs/dbraw/zinc/08/54/78/564085478.db2.gz XKJJSTBPLSBBIJ-UHFFFAOYSA-N 0 2 327.283 3.949 50 0 EHAALN C[C@@H]1CCC[N@@H+](c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)C1 ZINC000064589022 564092561 /nfs/dbraw/zinc/09/25/61/564092561.db2.gz CFSSKRKXULZXPN-CQSZACIVSA-N 0 2 338.407 3.873 50 0 EHAALN C[C@@H]1CCC[N@H+](c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)C1 ZINC000064589022 564092562 /nfs/dbraw/zinc/09/25/62/564092562.db2.gz CFSSKRKXULZXPN-CQSZACIVSA-N 0 2 338.407 3.873 50 0 EHAALN C[C@H]1CCC[N@@H+](c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589248 564092564 /nfs/dbraw/zinc/09/25/64/564092564.db2.gz PMZAXQJBLXNOAJ-ZDUSSCGKSA-N 0 2 330.428 3.750 50 0 EHAALN C[C@H]1CCC[N@H+](c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)C1 ZINC000064589248 564092565 /nfs/dbraw/zinc/09/25/65/564092565.db2.gz PMZAXQJBLXNOAJ-ZDUSSCGKSA-N 0 2 330.428 3.750 50 0 EHAALN Cc1cc(C)nc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000005925085 564093391 /nfs/dbraw/zinc/09/33/91/564093391.db2.gz FRXASFXHBSURIO-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)c1C ZINC000065031389 564099772 /nfs/dbraw/zinc/09/97/72/564099772.db2.gz OUULRFYVTWFNRJ-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000007409010 564108079 /nfs/dbraw/zinc/10/80/79/564108079.db2.gz QAGJOKKWBDWEGT-UHFFFAOYSA-N 0 2 335.734 3.867 50 0 EHAALN CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000035592602 213039895 /nfs/dbraw/zinc/03/98/95/213039895.db2.gz ZCNQVZDOWLMSQG-UHFFFAOYSA-N 0 2 341.816 3.554 50 0 EHAALN COc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000072427495 216218484 /nfs/dbraw/zinc/21/84/84/216218484.db2.gz HIEAHLCYNJVBBG-UHFFFAOYSA-N 0 2 343.770 3.697 50 0 EHAALN O=C(Nc1nnc(C(F)F)s1)c1c(O)cc(Cl)cc1Cl ZINC000079026263 217177453 /nfs/dbraw/zinc/17/74/53/217177453.db2.gz ZGHWYOCHGZCPEF-UHFFFAOYSA-N 0 2 340.138 3.740 50 0 EHAALN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1F ZINC000012525800 211399456 /nfs/dbraw/zinc/39/94/56/211399456.db2.gz YCZKCUZMDWWJBO-UHFFFAOYSA-N 0 2 335.278 3.525 50 0 EHAALN Cc1ccc(CSC2=Nc3ccc(F)cc3S(=O)(=O)N2)cc1 ZINC000012361112 211355748 /nfs/dbraw/zinc/35/57/48/211355748.db2.gz PZQDVACPNJQWET-UHFFFAOYSA-N 0 2 336.413 3.538 50 0 EHAALN CCCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1Cl ZINC000004970552 210343375 /nfs/dbraw/zinc/34/33/75/210343375.db2.gz CAESTNLVTNXMPF-UHFFFAOYSA-N 0 2 340.832 3.633 50 0 EHAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccn1 ZINC000004913665 210320366 /nfs/dbraw/zinc/32/03/66/210320366.db2.gz LGAZCMSPNARRHQ-UHFFFAOYSA-N 0 2 334.441 3.579 50 0 EHAALN Cc1cccc(CSC2=Nc3ccc(F)cc3S(=O)(=O)N2)c1 ZINC000004853692 210300049 /nfs/dbraw/zinc/30/00/49/210300049.db2.gz WGWDCLATTCTZRE-UHFFFAOYSA-N 0 2 336.413 3.538 50 0 EHAALN CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccn1 ZINC000012552655 563662717 /nfs/dbraw/zinc/66/27/17/563662717.db2.gz QMSOTSHQOJFUMT-UHFFFAOYSA-N 0 2 334.441 3.760 50 0 EHAALN O=C(NC1(c2csc([C@H]3CCCO3)n2)CCCCC1)C(F)(F)F ZINC000408524397 563993270 /nfs/dbraw/zinc/99/32/70/563993270.db2.gz TZAFVXLYIVCVFP-SNVBAGLBSA-N 0 2 348.390 3.833 50 0 EHAALN C[C@@H]([C@H]1CCCO1)n1c(=O)c2c([nH]c1=S)sc1c2CCCC1 ZINC000017070774 564024867 /nfs/dbraw/zinc/02/48/67/564024867.db2.gz YSISXRAGZZJPCJ-GXSJLCMTSA-N 0 2 336.482 3.739 50 0 EHAALN Cc1oc(-c2ccno2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000032971259 564036356 /nfs/dbraw/zinc/03/63/56/564036356.db2.gz ZEVSKRGXSWEGFZ-UHFFFAOYSA-N 0 2 338.772 3.697 50 0 EHAALN CC(C)(C)c1nnc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]c1=O ZINC000005856252 564056641 /nfs/dbraw/zinc/05/66/41/564056641.db2.gz NKZPMGVDJPOGLJ-UHFFFAOYSA-N 0 2 346.740 3.878 50 0 EHAALN CCc1ccccc1NS(=O)(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000075351826 564082038 /nfs/dbraw/zinc/08/20/38/564082038.db2.gz HHANISNQBIEQAP-UHFFFAOYSA-N 0 2 333.438 3.501 50 0 EHAALN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)cc(C)c1C=O ZINC000089587153 564093007 /nfs/dbraw/zinc/09/30/07/564093007.db2.gz XGQSICVTSUEXAU-UHFFFAOYSA-N 0 2 341.791 3.709 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCC[C@H](C)[C@H]1C)c2=O ZINC000003912005 564159695 /nfs/dbraw/zinc/15/96/95/564159695.db2.gz VBIHYWPJMKUNNZ-FIXISWKDSA-N 0 2 346.452 3.843 50 0 EHAALN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000826595270 1131327839 /nfs/dbraw/zinc/32/78/39/1131327839.db2.gz BQIKAXCXRRKLRZ-IAQYHMDHSA-N 0 2 334.416 3.777 50 0 EHAALN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC000826595270 1131327844 /nfs/dbraw/zinc/32/78/44/1131327844.db2.gz BQIKAXCXRRKLRZ-IAQYHMDHSA-N 0 2 334.416 3.777 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2ccc(C)cc2C)c1=O ZINC000100498443 219100357 /nfs/dbraw/zinc/10/03/57/219100357.db2.gz BHXQXFDXVQRDKM-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN COc1ccc(F)cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000010301877 211160915 /nfs/dbraw/zinc/16/09/15/211160915.db2.gz MUICNJILZMJBQR-UHFFFAOYSA-N 0 2 331.368 3.788 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000000268440 563269319 /nfs/dbraw/zinc/26/93/19/563269319.db2.gz NABRORLWEBSSIT-UHFFFAOYSA-N 0 2 337.470 3.695 50 0 EHAALN Cc1ccc(S(=O)(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000386134 563302867 /nfs/dbraw/zinc/30/28/67/563302867.db2.gz UDXUPPXSVWQVKV-UHFFFAOYSA-N 0 2 330.449 3.949 50 0 EHAALN CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C)n1 ZINC000012560779 563663079 /nfs/dbraw/zinc/66/30/79/563663079.db2.gz MIUOIOBPZULMSS-UHFFFAOYSA-N 0 2 334.441 3.596 50 0 EHAALN COc1cc(NS(=O)(=O)c2ccc(C)s2)c(OC)cc1Cl ZINC000024070805 563869041 /nfs/dbraw/zinc/86/90/41/563869041.db2.gz ZWDSAFWNLZSWQU-UHFFFAOYSA-N 0 2 347.845 3.528 50 0 EHAALN O=c1c2cc3c(cc2[nH]c(=S)n1CCC1=CCCCC1)OCO3 ZINC000000425080 563998497 /nfs/dbraw/zinc/99/84/97/563998497.db2.gz ITUHJOXUGRLAGW-UHFFFAOYSA-N 0 2 330.409 3.678 50 0 EHAALN CCOc1ccc2nc(NS(=O)(=O)c3ccccc3C)sc2c1 ZINC000000363799 564012437 /nfs/dbraw/zinc/01/24/37/564012437.db2.gz UOWOQWNZOMDIDR-UHFFFAOYSA-N 0 2 348.449 3.804 50 0 EHAALN CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccco4)c(=O)c23)CO1 ZINC000000985955 564053880 /nfs/dbraw/zinc/05/38/80/564053880.db2.gz LZPBQQIJFBFTPN-UHFFFAOYSA-N 0 2 348.449 3.613 50 0 EHAALN CCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 ZINC000001248160 564062686 /nfs/dbraw/zinc/06/26/86/564062686.db2.gz IMYMXAKREUEIAI-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN CCn1c2ccccc2c(O)c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000001248160 564062687 /nfs/dbraw/zinc/06/26/87/564062687.db2.gz IMYMXAKREUEIAI-UHFFFAOYSA-N 0 2 336.391 3.596 50 0 EHAALN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000075351816 564082028 /nfs/dbraw/zinc/08/20/28/564082028.db2.gz HNBXGHFFRMKYOQ-UHFFFAOYSA-N 0 2 339.829 3.592 50 0 EHAALN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2cc[nH]n2)cs1 ZINC000065112310 564101280 /nfs/dbraw/zinc/10/12/80/564101280.db2.gz FTKSHTVMFDXATE-UHFFFAOYSA-N 0 2 339.829 3.592 50 0 EHAALN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccoc2)n[nH]1 ZINC000095953686 564142475 /nfs/dbraw/zinc/14/24/75/564142475.db2.gz WGPFOGQUSDXFHH-UHFFFAOYSA-N 0 2 346.774 3.514 50 0 EHAALN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000008662581 564166259 /nfs/dbraw/zinc/16/62/59/564166259.db2.gz YIACXDJAYHXHHZ-UHFFFAOYSA-N 0 2 348.406 3.840 50 0 EHAALN Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000008662581 564166260 /nfs/dbraw/zinc/16/62/60/564166260.db2.gz YIACXDJAYHXHHZ-UHFFFAOYSA-N 0 2 348.406 3.840 50 0 EHAALN CCOc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1Cl ZINC000004660781 210239857 /nfs/dbraw/zinc/23/98/57/210239857.db2.gz NLAWVMDKQPBJPC-UHFFFAOYSA-N 0 2 347.223 3.588 50 0 EHAALN CCc1cccc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)c1 ZINC000012414620 211373567 /nfs/dbraw/zinc/37/35/67/211373567.db2.gz BBCVGQXZZMPJJB-UHFFFAOYSA-N 0 2 336.391 3.542 50 0 EHAALN Cc1cccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c1 ZINC000008914278 211016861 /nfs/dbraw/zinc/01/68/61/211016861.db2.gz BBBWZCNWNLUQGL-UHFFFAOYSA-N 0 2 326.787 3.873 50 0 EHAALN Oc1c(Br)cc(Br)cc1Br ZINC000000388234 563303786 /nfs/dbraw/zinc/30/37/86/563303786.db2.gz BSWWXRFVMJHFBN-UHFFFAOYSA-N 0 2 330.801 3.680 50 0 endogenous,in-man EHAALN O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccccc1F ZINC000028259983 563901927 /nfs/dbraw/zinc/90/19/27/563901927.db2.gz OPVBUPTWVNCLLA-UHFFFAOYSA-N 0 2 335.400 3.948 50 0 EHAALN Cc1[nH+]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c2ccccn12 ZINC000077505393 563970080 /nfs/dbraw/zinc/97/00/80/563970080.db2.gz USSQALCWNZSSKO-IBGZPJMESA-N 0 2 349.413 3.995 50 0 EHAALN CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000014227581 564112372 /nfs/dbraw/zinc/11/23/72/564112372.db2.gz QHWUHICYFFAXFZ-UHFFFAOYSA-N 0 2 348.255 3.627 50 0 EHAALN O=C(N[C@H](c1ccco1)c1ccccc1)c1c(O)cc(F)cc1F ZINC000066042276 564123933 /nfs/dbraw/zinc/12/39/33/564123933.db2.gz LTSJRRIREHGFOT-KRWDZBQOSA-N 0 2 329.302 3.783 50 0 EHAALN Cc1ncc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2O)s1 ZINC000069812507 564172312 /nfs/dbraw/zinc/17/23/12/564172312.db2.gz IXJWRJOKMUJIKC-UHFFFAOYSA-N 0 2 331.224 3.736 50 0 EHAALN CCc1cc2c(cc1O)occ(-c1cnn(-c3ccccc3)c1)c2=O ZINC000006519584 568414806 /nfs/dbraw/zinc/41/48/06/568414806.db2.gz PZNBYJKQNRMPNZ-UHFFFAOYSA-N 0 2 332.359 3.914 50 0 EHAALN O=C([O-])[C@@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)[NH2+]1 ZINC000003642579 210070001 /nfs/dbraw/zinc/07/00/01/210070001.db2.gz MTJOHDVAHGAFOD-HOTGVXAUSA-N 0 2 349.839 3.707 50 0 EHAALN O=C([O-])[C@H]1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)[NH2+]1 ZINC000003642576 210069891 /nfs/dbraw/zinc/06/98/91/210069891.db2.gz MTJOHDVAHGAFOD-CVEARBPZSA-N 0 2 349.839 3.707 50 0 EHAALN O=C(Nc1ccc(Cl)cc1)c1[nH]nc2c1COc1ccccc1-2 ZINC000009728584 211120094 /nfs/dbraw/zinc/12/00/94/211120094.db2.gz YEANACWOJZGFTR-UHFFFAOYSA-N 0 2 325.755 3.875 50 0 EHAALN COc1cc2cc(C(=O)c3cc(Cl)ccc3O)cnc2cc1OC ZINC000020086303 258057212 /nfs/dbraw/zinc/05/72/12/258057212.db2.gz WTLFRGZNYJNNHS-UHFFFAOYSA-N 0 2 343.766 3.842 50 0 EHAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000007056386 563594606 /nfs/dbraw/zinc/59/46/06/563594606.db2.gz DDLODHYYWBOLLN-UHFFFAOYSA-N 0 2 346.271 3.928 50 0 EHAALN COc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 ZINC000008743646 563638839 /nfs/dbraw/zinc/63/88/39/563638839.db2.gz BUTUPRCCCOHJRM-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN COc1cccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[nH]2)c1 ZINC000016777347 563823345 /nfs/dbraw/zinc/82/33/45/563823345.db2.gz BHPIQNNTIRFPGO-UHFFFAOYSA-N 0 2 342.786 3.574 50 0 EHAALN Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1 ZINC000018031382 563847470 /nfs/dbraw/zinc/84/74/70/563847470.db2.gz WYVQTSJWCZXENQ-LJQANCHMSA-N 0 2 330.391 3.687 50 0 EHAALN CC(C)n1cc2ccc(NC(=O)c3cc(F)c(O)c(F)c3)cc2n1 ZINC000408514073 563992800 /nfs/dbraw/zinc/99/28/00/563992800.db2.gz QPTJDTLIKHYNBE-UHFFFAOYSA-N 0 2 331.322 3.853 50 0 EHAALN COC(=O)c1ccc2c(c1)[nH]c(=S)n([C@@H]1CCCC[C@@H]1C)c2=O ZINC000000425243 563998927 /nfs/dbraw/zinc/99/89/27/563998927.db2.gz ISKIQBBLHZBAII-IINYFYTJSA-N 0 2 332.425 3.597 50 0 EHAALN O=c1nc(-c2nc3ccccc3o2)[nH]c2sc3c(c21)CCCS3 ZINC000225517678 564047486 /nfs/dbraw/zinc/04/74/86/564047486.db2.gz HZMHXIXGAAJURA-UHFFFAOYSA-N 0 2 341.417 3.831 50 0 EHAALN CCCn1nccc1-c1csc(S(=O)(=O)Nc2ccccc2)c1 ZINC000065112624 564101299 /nfs/dbraw/zinc/10/12/99/564101299.db2.gz UQQPQJNSTARAHT-UHFFFAOYSA-N 0 2 347.465 3.822 50 0 EHAALN Cc1ccc2nc(NC(=O)c3cc(C(F)(F)F)n[nH]3)sc2c1 ZINC000028234711 564150817 /nfs/dbraw/zinc/15/08/17/564150817.db2.gz RWBRNUFUFBUIHD-UHFFFAOYSA-N 0 2 326.303 3.599 50 0 EHAALN O=c1cc(C(F)F)nc(-c2ncc(C(F)(F)F)cc2Cl)[nH]1 ZINC000261494849 1019372926 /nfs/dbraw/zinc/37/29/26/1019372926.db2.gz MDKAAAXZLPHZLW-UHFFFAOYSA-N 0 2 325.624 3.854 50 0 EHAALN Cc1ccc(S(=O)(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1C ZINC000067340583 215135244 /nfs/dbraw/zinc/13/52/44/215135244.db2.gz VOSZQKPSAQKMFP-UHFFFAOYSA-N 0 2 349.358 3.668 50 0 EHAALN Cc1nc(-c2ccccc2NC(=O)c2ccc3[nH]nnc3c2)cs1 ZINC000208009227 241064639 /nfs/dbraw/zinc/06/46/39/241064639.db2.gz APKUWPBAAOYLBV-UHFFFAOYSA-N 0 2 335.392 3.642 50 0 EHAALN Clc1ccc2[nH]cc(CCNc3nc(Cl)nc4[nH]cnc43)c2c1 ZINC000009420140 211081480 /nfs/dbraw/zinc/08/14/80/211081480.db2.gz ZOBDFUMHGNCDQJ-UHFFFAOYSA-N 0 2 347.209 3.796 50 0 EHAALN O=C(c1cc(F)c(F)c(O)c1F)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000328587481 258045999 /nfs/dbraw/zinc/04/59/99/258045999.db2.gz ZRAIZOSYAYOPJW-SNVBAGLBSA-N 0 2 339.288 3.578 50 0 EHAALN Cc1cc2c([nH+]cn2C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000001385928 258049115 /nfs/dbraw/zinc/04/91/15/258049115.db2.gz OWPNIDAIRMJQDN-UHFFFAOYSA-N 0 2 349.843 3.644 50 0 EHAALN Cc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000001385928 258049116 /nfs/dbraw/zinc/04/91/16/258049116.db2.gz OWPNIDAIRMJQDN-UHFFFAOYSA-N 0 2 349.843 3.644 50 0 EHAALN CCOc1ccc(C)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000214077798 535711893 /nfs/dbraw/zinc/71/18/93/535711893.db2.gz MSSLYCOSKYEJIL-UHFFFAOYSA-N 0 2 342.420 3.743 50 0 EHAALN O=C(CSc1nc(C(F)(F)F)n[nH]1)c1ccc2ccccc2c1 ZINC000000115151 563231405 /nfs/dbraw/zinc/23/14/05/563231405.db2.gz AJSXOTCVJCTFFZ-UHFFFAOYSA-N 0 2 337.326 3.952 50 0 EHAALN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2Cl)[NH2+]1 ZINC000000188032 563255550 /nfs/dbraw/zinc/25/55/50/563255550.db2.gz JNLXAXOXLWSEML-JKSUJKDBSA-N 0 2 326.783 3.510 50 0 biogenic EHAALN CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 ZINC000008714752 563636763 /nfs/dbraw/zinc/63/67/63/563636763.db2.gz VUBMQSCUIVESTP-UHFFFAOYSA-N 0 2 340.832 3.633 50 0 EHAALN O=c1cc(C(F)(F)F)nc(-c2ncc(C(F)(F)F)cc2Cl)[nH]1 ZINC000096179487 563980041 /nfs/dbraw/zinc/98/00/41/563980041.db2.gz HOVODPVJCPDQCY-UHFFFAOYSA-N 0 2 343.614 3.935 50 0 EHAALN CCCCOc1ccc(C)cc1S(=O)(=O)Nc1ncccc1C ZINC000096305758 563980717 /nfs/dbraw/zinc/98/07/17/563980717.db2.gz MMXRRAMEIVXXLW-UHFFFAOYSA-N 0 2 334.441 3.678 50 0 EHAALN Cc1cc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2cc1C ZINC000000200145 563988300 /nfs/dbraw/zinc/98/83/00/563988300.db2.gz RSVPIPATRYLLIS-UHFFFAOYSA-N 0 2 333.395 3.608 50 0 EHAALN Cc1cc2c([nH+]cn2C)c([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000001385953 564064193 /nfs/dbraw/zinc/06/41/93/564064193.db2.gz VNHAQLKYWFXVLS-UHFFFAOYSA-N 0 2 349.843 3.644 50 0 EHAALN COc1cc(C)c(NS(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000007988475 564082174 /nfs/dbraw/zinc/08/21/74/564082174.db2.gz ONOJNPMDEBHVMV-UHFFFAOYSA-N 0 2 347.845 3.528 50 0 EHAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)c(C)c1 ZINC000065031108 564099741 /nfs/dbraw/zinc/09/97/41/564099741.db2.gz CJIKVRJXARJWAS-UHFFFAOYSA-N 0 2 334.422 3.821 50 0 EHAALN Cc1cnc(NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)s1 ZINC000170639231 564117611 /nfs/dbraw/zinc/11/76/11/564117611.db2.gz VWPSEEAOYVUSJD-UHFFFAOYSA-N 0 2 342.424 3.719 50 0 EHAALN Cc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c1 ZINC000299738291 564150491 /nfs/dbraw/zinc/15/04/91/564150491.db2.gz RCJRUMXOMWXLBM-CYBMUJFWSA-N 0 2 348.402 3.693 50 0 EHAALN Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c(C)c1 ZINC000299738138 564150512 /nfs/dbraw/zinc/15/05/12/564150512.db2.gz BADOKBLEVNPBGC-ZDUSSCGKSA-N 0 2 348.402 3.693 50 0 EHAALN O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000058434052 564159147 /nfs/dbraw/zinc/15/91/47/564159147.db2.gz KWJUBIUSODCHDW-UHFFFAOYSA-N 0 2 349.390 3.502 50 0 EHAALN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000952847907 1137482794 /nfs/dbraw/zinc/48/27/94/1137482794.db2.gz LEDWVQYKGAUWGU-IAQYHMDHSA-N 0 2 334.803 3.823 50 0 EHAALN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000952847907 1137482795 /nfs/dbraw/zinc/48/27/95/1137482795.db2.gz LEDWVQYKGAUWGU-IAQYHMDHSA-N 0 2 334.803 3.823 50 0 EHAALN O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1ccc(F)cc1 ZINC000100892750 219110399 /nfs/dbraw/zinc/11/03/99/219110399.db2.gz NCAZPQCGZUDTRP-UHFFFAOYSA-N 0 2 326.352 3.993 50 0 EHAALN CCSc1ccccc1NS(=O)(=O)c1cc(F)ccc1OC ZINC000065363281 214875152 /nfs/dbraw/zinc/87/51/52/214875152.db2.gz MSHCXDGMDNPYDX-UHFFFAOYSA-N 0 2 341.429 3.747 50 0 EHAALN O=S(=O)(Nc1cccc(Cl)c1)c1cc(-c2ccno2)cs1 ZINC000044902873 213667954 /nfs/dbraw/zinc/66/79/54/213667954.db2.gz XRYKMWXCGKMFDU-UHFFFAOYSA-N 0 2 340.813 3.857 50 0 EHAALN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(Cl)c1 ZINC000225393007 241839635 /nfs/dbraw/zinc/83/96/35/241839635.db2.gz JACIWJSHBCKFDA-UHFFFAOYSA-N 0 2 328.821 3.735 50 0 EHAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccccc3C)s2)c1C ZINC000009686715 211113686 /nfs/dbraw/zinc/11/36/86/211113686.db2.gz YNMPOQWGDSDFSC-UHFFFAOYSA-N 0 2 347.465 3.864 50 0 EHAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3C)s2)n[nH]1 ZINC000009686474 211112995 /nfs/dbraw/zinc/11/29/95/211112995.db2.gz WHVYHIIMZBBNAT-UHFFFAOYSA-N 0 2 333.438 3.556 50 0 EHAALN C[C@H](c1ccon1)[N@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000097259359 219006489 /nfs/dbraw/zinc/00/64/89/219006489.db2.gz GRDHPSWGBZWFFJ-GFCCVEGCSA-N 0 2 326.352 3.826 50 0 EHAALN C[C@H](c1ccon1)[N@@H+](C)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000097259359 219006491 /nfs/dbraw/zinc/00/64/91/219006491.db2.gz GRDHPSWGBZWFFJ-GFCCVEGCSA-N 0 2 326.352 3.826 50 0 EHAALN CCOc1ccc2nc(NS(=O)(=O)Cc3ccccc3)sc2c1 ZINC000002851837 563455596 /nfs/dbraw/zinc/45/55/96/563455596.db2.gz ICAYLWPSUVTAEL-UHFFFAOYSA-N 0 2 348.449 3.637 50 0 EHAALN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)no1 ZINC000013948471 563732788 /nfs/dbraw/zinc/73/27/88/563732788.db2.gz SZJMZPWYHGRKQV-UHFFFAOYSA-N 0 2 330.409 3.926 50 0 EHAALN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000000423526 563998333 /nfs/dbraw/zinc/99/83/33/563998333.db2.gz RZPHYYCOWQAPOY-UHFFFAOYSA-N 0 2 348.811 3.698 50 0 EHAALN CCOC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 ZINC000005905847 564056920 /nfs/dbraw/zinc/05/69/20/564056920.db2.gz QBAIPIAYUJSVLZ-UHFFFAOYSA-N 0 2 340.331 3.776 50 0 biogenic EHAALN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cccc2ccccc21 ZINC000084598281 564068975 /nfs/dbraw/zinc/06/89/75/564068975.db2.gz BFDNPHATOSIWSR-UHFFFAOYSA-N 0 2 331.331 3.848 50 0 EHAALN CCOc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000007057417 564103956 /nfs/dbraw/zinc/10/39/56/564103956.db2.gz GREZTVBARZKFDF-UHFFFAOYSA-N 0 2 345.342 3.905 50 0 EHAALN CC[C@H](C)[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F ZINC000278223734 564138289 /nfs/dbraw/zinc/13/82/89/564138289.db2.gz UQXHEBFDAIOSLM-DYEAUMGKSA-N 0 2 329.240 3.516 50 0 EHAALN CCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2C)c1=O ZINC000100447910 219099781 /nfs/dbraw/zinc/09/97/81/219099781.db2.gz IQXRVKPAGTURSD-UHFFFAOYSA-N 0 2 336.391 3.678 50 0 EHAALN CC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000003997619 210097700 /nfs/dbraw/zinc/09/77/00/210097700.db2.gz IHYMPPITTSFBJV-UHFFFAOYSA-N 0 2 330.862 3.895 50 0 EHAALN O=c1oc2cc(O)ccc2c(O)c1-c1ccc(Br)cc1 ZINC000011865286 211260957 /nfs/dbraw/zinc/26/09/57/211260957.db2.gz GTKLFBQCPQSNKT-UHFFFAOYSA-N 0 2 333.137 3.634 50 0 EHAALN O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1 ZINC000097235894 219001870 /nfs/dbraw/zinc/00/18/70/219001870.db2.gz DHZJXFKIWAUFNF-UHFFFAOYSA-N 0 2 336.722 3.555 50 0 EHAALN COC(=S)Nc1c(Br)cc(C)cc1Br ZINC000000172802 563252009 /nfs/dbraw/zinc/25/20/09/563252009.db2.gz IQWGAYQPTAXQNI-UHFFFAOYSA-N 0 2 339.052 3.863 50 0 EHAALN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 ZINC000012552664 563662739 /nfs/dbraw/zinc/66/27/39/563662739.db2.gz IAKDABOQVYNYIL-UHFFFAOYSA-N 0 2 331.224 3.806 50 0 EHAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC000075351827 564082016 /nfs/dbraw/zinc/08/20/16/564082016.db2.gz DSVONDFTIJYAEI-UHFFFAOYSA-N 0 2 333.438 3.501 50 0 EHAALN CC(C)n1nccc1-c1csc(S(=O)(=O)Nc2ccccc2)c1 ZINC000065112535 564101289 /nfs/dbraw/zinc/10/12/89/564101289.db2.gz YPYOCEFVLXPNTA-UHFFFAOYSA-N 0 2 347.465 3.993 50 0 EHAALN Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c1C ZINC000299738139 564150472 /nfs/dbraw/zinc/15/04/72/564150472.db2.gz BCRGUORXTRLXDA-GFCCVEGCSA-N 0 2 348.402 3.693 50 0 EHAALN O=C([O-])C1CCC(Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000263379155 564161287 /nfs/dbraw/zinc/16/12/87/564161287.db2.gz CNCPPXGZTLEOGS-UHFFFAOYSA-N 0 2 339.439 3.942 50 0 EHAALN O=C(C=Cc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000069442871 564169534 /nfs/dbraw/zinc/16/95/34/564169534.db2.gz IAQWHVZISLRDAN-ZZXKWVIFSA-N 0 2 349.843 3.805 50 0 EHAALN