smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 ZINC000002291836 204032980 /nfs/dbraw/zinc/03/29/80/204032980.db2.gz YYMQBXWNLGHKDW-UHFFFAOYSA-N 0 2 364.445 4.376 50 0 FIAALN CCCCn1c2ccccc2c(O)c(C(=O)Nc2cc(C)ccc2C)c1=O ZINC000002291836 204032984 /nfs/dbraw/zinc/03/29/84/204032984.db2.gz YYMQBXWNLGHKDW-UHFFFAOYSA-N 0 2 364.445 4.376 50 0 FIAALN O=c1cc(O)c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4 ZINC000005491277 204211733 /nfs/dbraw/zinc/21/17/33/204211733.db2.gz LXXQBBPCDDVVTI-UHFFFAOYSA-N 0 2 354.456 4.451 50 0 FIAALN CCCc1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 ZINC000005904205 204229628 /nfs/dbraw/zinc/22/96/28/204229628.db2.gz LXCIVIWESVQFTH-UHFFFAOYSA-N 0 2 352.386 4.409 50 0 biogenic FIAALN COc1ccc2nc(NS(=O)(=O)c3ccc(C(C)C)cc3)sc2c1 ZINC000005940150 204231025 /nfs/dbraw/zinc/23/10/25/204231025.db2.gz LQDFZYGLVZURFI-UHFFFAOYSA-N 0 2 362.476 4.229 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)s2)on1 ZINC000007005492 204286363 /nfs/dbraw/zinc/28/63/63/204286363.db2.gz YQUFKOBCRPUXRZ-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000007052701 204288446 /nfs/dbraw/zinc/28/84/46/204288446.db2.gz URUJRDPDOOMCJQ-UHFFFAOYSA-N 0 2 366.689 4.273 50 0 FIAALN O=S(=O)(Nc1cccc2cccnc21)c1cccc(Cl)c1Cl ZINC000007709457 204304080 /nfs/dbraw/zinc/30/40/80/204304080.db2.gz OAFWDMUQHLAILT-UHFFFAOYSA-N 0 2 353.230 4.342 50 0 FIAALN Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)(C)C)cc1 ZINC000009059689 204353199 /nfs/dbraw/zinc/35/31/99/204353199.db2.gz MDNSHYJQDYTGHY-UHFFFAOYSA-N 0 2 360.461 4.239 50 0 FIAALN COC(=O)c1c(SCc2ccccc2)[nH]c2cc(Cl)ccc2c1=O ZINC000009300307 204361347 /nfs/dbraw/zinc/36/13/47/204361347.db2.gz SBFWPIXXQNRDGB-UHFFFAOYSA-N 0 2 359.834 4.260 50 0 FIAALN CC[C@]1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000008766585 204344629 /nfs/dbraw/zinc/34/46/29/204344629.db2.gz AFXOCKAAWCCLLF-LJQANCHMSA-N 0 2 372.515 4.410 50 0 FIAALN CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12 ZINC000031903997 204923371 /nfs/dbraw/zinc/92/33/71/204923371.db2.gz MWYXRGDHMDBMBG-UHFFFAOYSA-N 0 2 356.447 4.215 50 0 FIAALN O=C([O-])c1cc([NH+]2CCCCCC2)ccc1NC(=O)c1ccccc1F ZINC000045967548 205127174 /nfs/dbraw/zinc/12/71/74/205127174.db2.gz XPBJBQJWRRHILI-UHFFFAOYSA-N 0 2 356.397 4.157 50 0 FIAALN COc1ccccc1-c1n[nH]c(NC(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000052778814 205187534 /nfs/dbraw/zinc/18/75/34/205187534.db2.gz VWWRZSSDOYLSIB-UHFFFAOYSA-N 0 2 368.780 4.132 50 0 FIAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)o1 ZINC000065003917 205314146 /nfs/dbraw/zinc/31/41/46/205314146.db2.gz TWSFVOQPXCVICB-UHFFFAOYSA-N 0 2 372.830 4.305 50 0 FIAALN O=S(=O)(Nc1ccccc1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004541 205314805 /nfs/dbraw/zinc/31/48/05/205314805.db2.gz IJZIWQYVDKKRQL-UHFFFAOYSA-N 0 2 360.460 4.471 50 0 FIAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031105 205315377 /nfs/dbraw/zinc/31/53/77/205315377.db2.gz TUFBZJGQVKBWCT-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN O=C([O-])c1ccc[nH+]c1N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067843529 205396595 /nfs/dbraw/zinc/39/65/95/205396595.db2.gz NRYHLVMQIMLAPL-UHFFFAOYSA-N 0 2 371.396 4.151 50 0 FIAALN COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414256 205536010 /nfs/dbraw/zinc/53/60/10/205536010.db2.gz NTIJYPXBBRJMJK-UHFFFAOYSA-N 0 2 370.474 4.476 50 0 FIAALN COc1ccc(C(O)=CC(=O)c2ccc3ccccc3c2O)cc1OC ZINC000003984266 206165678 /nfs/dbraw/zinc/16/56/78/206165678.db2.gz OJQXDLSXIJAJNW-UHFFFAOYSA-N 0 2 350.370 4.018 50 0 biogenic FIAALN CC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000012557198 206293116 /nfs/dbraw/zinc/29/31/16/206293116.db2.gz HPRKCBCXINIOST-UHFFFAOYSA-N 0 2 350.248 4.058 50 0 FIAALN CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000000983153 570467701 /nfs/dbraw/zinc/46/77/01/570467701.db2.gz RUHHKEKACKMACR-UHFFFAOYSA-N 0 2 360.298 4.435 50 0 FIAALN O=c1nc[nH]c2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000001033664 570472863 /nfs/dbraw/zinc/47/28/63/570472863.db2.gz XORFIPIPEHWMLI-UHFFFAOYSA-N 0 2 356.410 4.262 50 0 FIAALN Cc1ccc(C(=O)[C@H](C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000001038940 570474016 /nfs/dbraw/zinc/47/40/16/570474016.db2.gz IVLIGSJHPSNMJY-NSHDSACASA-N 0 2 357.258 4.347 50 0 FIAALN CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2)c1=O ZINC000100498423 570561989 /nfs/dbraw/zinc/56/19/89/570561989.db2.gz HKBVNQSEBKALLE-UHFFFAOYSA-N 0 2 350.418 4.150 50 0 FIAALN S=C1N[C@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013635988 570781703 /nfs/dbraw/zinc/78/17/03/570781703.db2.gz LZYZYGLFWUPFCS-APWZRJJASA-N 0 2 367.499 4.307 50 0 FIAALN O=c1c2cccc(F)c2[nH]cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000015828977 570844570 /nfs/dbraw/zinc/84/45/70/570844570.db2.gz UWRWMRRIMALCEH-UHFFFAOYSA-N 0 2 372.204 4.219 50 0 FIAALN Cc1nc2[nH]c(SCc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000018240905 570877172 /nfs/dbraw/zinc/87/71/72/570877172.db2.gz ULCQDXMQYHAVBK-UHFFFAOYSA-N 0 2 362.458 4.021 50 0 FIAALN O=c1c2ccc(Cl)cc2[nH]c(=S)n1CCc1c[nH]c2ccccc12 ZINC000003043395 571343993 /nfs/dbraw/zinc/34/39/93/571343993.db2.gz VAIFJJKIQIBQFV-UHFFFAOYSA-N 0 2 355.850 4.436 50 0 FIAALN CCCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[nH]c1=S ZINC000003043534 571344020 /nfs/dbraw/zinc/34/40/20/571344020.db2.gz GVZKQGQXGXKXEX-UHFFFAOYSA-N 0 2 371.506 4.089 50 0 FIAALN Cc1sc2ncnc(NS(=O)(=O)c3ccc4ccccc4c3)c2c1C ZINC000002641767 204048853 /nfs/dbraw/zinc/04/88/53/204048853.db2.gz YSOZEESTJZKUGF-UHFFFAOYSA-N 0 2 369.471 4.262 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)C2C=C(C)C=C[C@@H]2N=C1 ZINC000004107046 204122494 /nfs/dbraw/zinc/12/24/94/204122494.db2.gz ZUKDHQBTBFLSDK-AEFFLSMTSA-N 0 2 357.837 4.259 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@@H]2C=C(C)C=C[C@@H]2N=C1 ZINC000004107046 204122498 /nfs/dbraw/zinc/12/24/98/204122498.db2.gz ZUKDHQBTBFLSDK-AEFFLSMTSA-N 0 2 357.837 4.259 50 0 FIAALN O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1F ZINC000005601563 204217702 /nfs/dbraw/zinc/21/77/02/204217702.db2.gz NTIYAFHLHNPUHW-VAWYXSNFSA-N 0 2 354.406 4.192 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(F)c2)C1 ZINC000006947868 204284019 /nfs/dbraw/zinc/28/40/19/204284019.db2.gz MPFXSTBXNRRVKA-XNTDXEJSSA-N 0 2 362.404 4.448 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(F)c2)C1 ZINC000006947868 204284023 /nfs/dbraw/zinc/28/40/23/204284023.db2.gz MPFXSTBXNRRVKA-XNTDXEJSSA-N 0 2 362.404 4.448 50 0 FIAALN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Sc1ccccc1 ZINC000010516213 204398082 /nfs/dbraw/zinc/39/80/82/204398082.db2.gz NFIFZIBHTOZWLK-UHFFFAOYSA-N 0 2 360.460 4.243 50 0 FIAALN Cc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000017075759 204648722 /nfs/dbraw/zinc/64/87/22/204648722.db2.gz RAXPFJZJINROEC-UHFFFAOYSA-N 0 2 369.490 4.164 50 0 FIAALN O=c1nc(COCC(F)(F)F)[nH]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000053851524 205196853 /nfs/dbraw/zinc/19/68/53/205196853.db2.gz PHQOAZTXONMGMF-UHFFFAOYSA-N 0 2 374.771 4.384 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc(C)c(C)c2)s1 ZINC000065183515 205322266 /nfs/dbraw/zinc/32/22/66/205322266.db2.gz ZHJLXXOEZYCWDB-UHFFFAOYSA-N 0 2 363.508 4.245 50 0 FIAALN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)cc2Cl ZINC000000944466 206142598 /nfs/dbraw/zinc/14/25/98/206142598.db2.gz HUWUMXHFBGBOBJ-UHFFFAOYSA-N 0 2 369.851 4.460 50 0 FIAALN O=S(=O)(Nc1ccccc1-c1cccs1)c1cccnc1Cl ZINC000025453362 568558995 /nfs/dbraw/zinc/55/89/95/568558995.db2.gz YUSCQXBUQKUGJN-UHFFFAOYSA-N 0 2 350.852 4.264 50 0 FIAALN COc1ccc(Nc2c(C(=O)[O-])c[nH+]c3c(C)c(Cl)ccc23)c(OC)c1 ZINC000019793887 570903353 /nfs/dbraw/zinc/90/33/53/570903353.db2.gz DLGFIWSGVGKFKU-UHFFFAOYSA-N 0 2 372.808 4.078 50 0 FIAALN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccc(F)cc2s1 ZINC000028248338 571028321 /nfs/dbraw/zinc/02/83/21/571028321.db2.gz WEOQHWDAQXBICC-UHFFFAOYSA-N 0 2 356.831 4.198 50 0 FIAALN CCCCCn1c2ccccc2c(O)c(C(=O)Nc2cccc(C)c2)c1=O ZINC000100467122 571125832 /nfs/dbraw/zinc/12/58/32/571125832.db2.gz CLODMSNWJKAEQT-UHFFFAOYSA-N 0 2 364.445 4.458 50 0 FIAALN COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012604617 571190499 /nfs/dbraw/zinc/19/04/99/571190499.db2.gz WZUZKKPRRYLIEN-UHFFFAOYSA-N 0 2 365.760 4.168 50 0 FIAALN O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000524732009 571258658 /nfs/dbraw/zinc/25/86/58/571258658.db2.gz SVDVIPSVXXEYEP-UHFFFAOYSA-N 0 2 370.364 4.186 50 0 biogenic FIAALN CCCCCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)OC)cc1 ZINC000004297055 204131731 /nfs/dbraw/zinc/13/17/31/204131731.db2.gz XRIIPHUDXBKSHH-UHFFFAOYSA-N 0 2 367.492 4.068 50 0 FIAALN O=S(=O)(Nc1cccc2cccnc21)c1ccccc1C(F)(F)F ZINC000007709434 204304835 /nfs/dbraw/zinc/30/48/35/204304835.db2.gz CDEDKRYDYBEARF-UHFFFAOYSA-N 0 2 352.337 4.054 50 0 FIAALN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000007785605 204308068 /nfs/dbraw/zinc/30/80/68/204308068.db2.gz QNMOENZOULRNKS-UHFFFAOYSA-N 0 2 362.476 4.113 50 0 FIAALN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000064947026 205309540 /nfs/dbraw/zinc/30/95/40/205309540.db2.gz ZMUQOHKBRVNYLP-UHFFFAOYSA-N 0 2 369.490 4.215 50 0 FIAALN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1c(C)cccc1C ZINC000064947279 205310004 /nfs/dbraw/zinc/31/00/04/205310004.db2.gz MMTVZHXHJLSDAJ-UHFFFAOYSA-N 0 2 373.453 4.046 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3c(C)cccc3C)s2)c1C ZINC000065031235 205315730 /nfs/dbraw/zinc/31/57/30/205315730.db2.gz ODBNFNDOSWDTOW-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000065031061 205315796 /nfs/dbraw/zinc/31/57/96/205315796.db2.gz WIIOKDFTLLWUTM-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12 ZINC000000984702 570467854 /nfs/dbraw/zinc/46/78/54/570467854.db2.gz ARIVSBNIOGOBJR-UHFFFAOYSA-N 0 2 363.804 4.319 50 0 aggregator FIAALN COc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000097655521 570492165 /nfs/dbraw/zinc/49/21/65/570492165.db2.gz OEFZVTOBNCKUGW-OAQYLSRUSA-N 0 2 354.469 4.377 50 0 FIAALN O=C(NC(=O)C(Cl)(Cl)Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000001226883 570495364 /nfs/dbraw/zinc/49/53/64/570495364.db2.gz WNUJZRAWMHIWGR-UHFFFAOYSA-N 0 2 350.416 4.012 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OC)C1 ZINC000097993218 570798854 /nfs/dbraw/zinc/79/88/54/570798854.db2.gz JJEVRMKTRKEQHK-VBKFSLOCSA-N 0 2 374.440 4.318 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2OC)C1 ZINC000097993218 570798857 /nfs/dbraw/zinc/79/88/57/570798857.db2.gz JJEVRMKTRKEQHK-VBKFSLOCSA-N 0 2 374.440 4.318 50 0 FIAALN CCn1cc(Cn2c(=O)c3cc(-c4ccccc4)sc3[nH]c2=S)cn1 ZINC000017075610 570867335 /nfs/dbraw/zinc/86/73/35/570867335.db2.gz JNRZEKMWJYYIPG-UHFFFAOYSA-N 0 2 368.487 4.052 50 0 FIAALN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000024831566 570983388 /nfs/dbraw/zinc/98/33/88/570983388.db2.gz QYDKUINXHFUIHI-HNNXBMFYSA-N 0 2 355.463 4.187 50 0 FIAALN Cc1cccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c1 ZINC000012416036 571096996 /nfs/dbraw/zinc/09/69/96/571096996.db2.gz VTVSFUJLMYVAJQ-UHFFFAOYSA-N 0 2 370.408 4.257 50 0 FIAALN O=c1cc(-c2ccccc2)oc2c1c(O)cc1c2[C@@H](c2ccco2)CC(=O)O1 ZINC000096115101 571334441 /nfs/dbraw/zinc/33/44/41/571334441.db2.gz PVSQTOIIUCMCGI-CYBMUJFWSA-N 0 2 374.348 4.200 50 0 biogenic FIAALN CCc1cc2c(=O)c(-n3cnc4ccccc43)c(C(F)(F)F)oc2cc1O ZINC000096592253 571336318 /nfs/dbraw/zinc/33/63/18/571336318.db2.gz CZYWDQICUMBYDX-UHFFFAOYSA-N 0 2 374.318 4.419 50 0 FIAALN Cc1ccc(NC(=S)NN=Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000254700948 1119331107 /nfs/dbraw/zinc/33/11/07/1119331107.db2.gz KBSHBHNOGFHWMS-UHFFFAOYSA-N 0 2 354.262 4.328 50 0 FIAALN O=S(=O)(Nc1ncnc2scc(-c3ccccc3)c21)c1ccccc1 ZINC000003358585 204095267 /nfs/dbraw/zinc/09/52/67/204095267.db2.gz WDLRGGRBAUCLLR-UHFFFAOYSA-N 0 2 367.455 4.159 50 0 FIAALN Cc1ccc(S(=O)(=O)CC(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000004776240 204163363 /nfs/dbraw/zinc/16/33/63/204163363.db2.gz YREZITALWDBKFY-UHFFFAOYSA-N 0 2 350.439 4.319 50 0 FIAALN Cc1ccsc1/C=C1/C[N@@H+](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000007109753 204289659 /nfs/dbraw/zinc/28/96/59/204289659.db2.gz MSXIHHSHRIPLMZ-LCYFTJDESA-N 0 2 350.443 4.289 50 0 FIAALN Cc1ccsc1/C=C1/C[N@H+](C)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000007109753 204289664 /nfs/dbraw/zinc/28/96/64/204289664.db2.gz MSXIHHSHRIPLMZ-LCYFTJDESA-N 0 2 350.443 4.289 50 0 FIAALN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1SCc1ccccc1 ZINC000007709863 204304145 /nfs/dbraw/zinc/30/41/45/204304145.db2.gz DYQMNHFMCRPIAB-UHFFFAOYSA-N 0 2 374.487 4.385 50 0 FIAALN O=c1nc[nH]c2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000008419642 204330809 /nfs/dbraw/zinc/33/08/09/204330809.db2.gz HWUFLWUJVUBLPR-UHFFFAOYSA-N 0 2 353.350 4.280 50 0 FIAALN CCOc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2c1 ZINC000009063991 204353377 /nfs/dbraw/zinc/35/33/77/204353377.db2.gz WROYEMVFDYSJNH-UHFFFAOYSA-N 0 2 362.838 4.088 50 0 FIAALN Cc1nn(-c2ccccc2)c2c1[C@H](C(=O)c1ccc(Cl)s1)CC(=O)N2 ZINC000046057494 205131919 /nfs/dbraw/zinc/13/19/19/205131919.db2.gz IHHOOKMFLCGUMP-GFCCVEGCSA-N 0 2 371.849 4.204 50 0 FIAALN Cc1nn(-c2ccccc2)c2c1C(C(=O)c1ccc(Cl)s1)CC(=O)N2 ZINC000046057494 205131924 /nfs/dbraw/zinc/13/19/24/205131924.db2.gz IHHOOKMFLCGUMP-GFCCVEGCSA-N 0 2 371.849 4.204 50 0 FIAALN Cc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004198 205314735 /nfs/dbraw/zinc/31/47/35/205314735.db2.gz BECWWRAIHWWVAR-UHFFFAOYSA-N 0 2 360.460 4.390 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc(C)c(F)c2)s1 ZINC000065183522 205321629 /nfs/dbraw/zinc/32/16/29/205321629.db2.gz IMUDMJBDOBSICM-UHFFFAOYSA-N 0 2 367.471 4.076 50 0 FIAALN O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccnc1Cl ZINC000022408493 206378564 /nfs/dbraw/zinc/37/85/64/206378564.db2.gz GVRIFWQIEHMUTI-UHFFFAOYSA-N 0 2 360.822 4.328 50 0 FIAALN CCOC(=O)Cc1sc(Nc2nc(C)cc(C)n2)nc1-c1ccccc1 ZINC000020070466 520914180 /nfs/dbraw/zinc/91/41/80/520914180.db2.gz PAJOIOLSIGKSDH-UHFFFAOYSA-N 0 2 368.462 4.066 50 0 FIAALN O=c1c2c(-c3cccs3)cc(C(F)(F)F)[nH]c-2nn1-c1ccccc1 ZINC000000875848 570462368 /nfs/dbraw/zinc/46/23/68/570462368.db2.gz HBKFTTHHOCMZEG-UHFFFAOYSA-N 0 2 361.348 4.461 50 0 FIAALN Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)cc1 ZINC000100314126 570552970 /nfs/dbraw/zinc/55/29/70/570552970.db2.gz URIBYUVIRLXKST-UHFFFAOYSA-N 0 2 353.472 4.490 50 0 FIAALN O=S(=O)(Nc1nc2c(cc(F)cc2F)s1)c1cccc(Cl)c1 ZINC000013108854 570773952 /nfs/dbraw/zinc/77/39/52/570773952.db2.gz JUWJNLMKMVUHHV-UHFFFAOYSA-N 0 2 360.794 4.029 50 0 FIAALN CCOC(=O)C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020442836 570915926 /nfs/dbraw/zinc/91/59/26/570915926.db2.gz GFOFXQXMRNMTAV-QGZVFWFLSA-N 0 2 371.820 4.112 50 0 FIAALN CCCOC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 ZINC000005892537 571167509 /nfs/dbraw/zinc/16/75/09/571167509.db2.gz AXIVRBVWPSOVKR-UHFFFAOYSA-N 0 2 354.358 4.166 50 0 biogenic FIAALN O=C(c1c(O)cc(F)cc1F)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000066044237 571289725 /nfs/dbraw/zinc/28/97/25/571289725.db2.gz HYMGRPCJVUESSE-UHFFFAOYSA-N 0 2 371.305 4.494 50 0 FIAALN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cnc1Cl ZINC000079061438 571326827 /nfs/dbraw/zinc/32/68/27/571326827.db2.gz IZPJDGOFVXWNON-UHFFFAOYSA-N 0 2 368.739 4.002 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)C2C=C(C)C=C[C@H]2N=C1 ZINC000004107050 204122430 /nfs/dbraw/zinc/12/24/30/204122430.db2.gz ZUKDHQBTBFLSDK-FUHWJXTLSA-N 0 2 357.837 4.259 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@H]2C=C(C)C=C[C@H]2N=C1 ZINC000004107050 204122434 /nfs/dbraw/zinc/12/24/34/204122434.db2.gz ZUKDHQBTBFLSDK-FUHWJXTLSA-N 0 2 357.837 4.259 50 0 FIAALN O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)[NH2+]1 ZINC000004548854 204145422 /nfs/dbraw/zinc/14/54/22/204145422.db2.gz AHQVXIRYGVICJX-UXHICEINSA-N 0 2 365.454 4.207 50 0 FIAALN COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccccc1 ZINC000006913943 204281147 /nfs/dbraw/zinc/28/11/47/204281147.db2.gz BAKZFTUJTNYSRB-UHFFFAOYSA-N 0 2 373.455 4.003 50 0 FIAALN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 ZINC000008185243 204320167 /nfs/dbraw/zinc/32/01/67/204320167.db2.gz OTIZTOTXJYQHDQ-UHFFFAOYSA-N 0 2 365.760 4.174 50 0 FIAALN Cc1noc(C)c1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000008185052 204320963 /nfs/dbraw/zinc/32/09/63/204320963.db2.gz VKUHALXPWRJFHP-UHFFFAOYSA-N 0 2 358.419 4.193 50 0 FIAALN Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1F ZINC000009318715 204363794 /nfs/dbraw/zinc/36/37/94/204363794.db2.gz PRYYFQLSRYPXDU-CYBMUJFWSA-N 0 2 371.799 4.358 50 0 FIAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(F)c3)s2)c1C ZINC000009686805 204378249 /nfs/dbraw/zinc/37/82/49/204378249.db2.gz RPJMBHOQPPBMKU-UHFFFAOYSA-N 0 2 365.455 4.003 50 0 FIAALN O=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccc(F)c(F)c1F ZINC000040150885 205060297 /nfs/dbraw/zinc/06/02/97/205060297.db2.gz KISWNCJJXRPBHJ-UHFFFAOYSA-N 0 2 370.377 4.028 50 0 FIAALN COc1ccc(C(=O)Nc2ccc([NH+]3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000045967592 205128165 /nfs/dbraw/zinc/12/81/65/205128165.db2.gz FWRHWJUHWLZPLB-UHFFFAOYSA-N 0 2 368.433 4.026 50 0 biogenic FIAALN Cc1nn(-c2ccccc2)c2c1[C@@H](C(=O)c1ccc(Cl)s1)CC(=O)N2 ZINC000046057491 205131549 /nfs/dbraw/zinc/13/15/49/205131549.db2.gz IHHOOKMFLCGUMP-LBPRGKRZSA-N 0 2 371.849 4.204 50 0 FIAALN Cc1nn(-c2ccccc2)c2c1C(C(=O)c1ccc(Cl)s1)CC(=O)N2 ZINC000046057491 205131552 /nfs/dbraw/zinc/13/15/52/205131552.db2.gz IHHOOKMFLCGUMP-LBPRGKRZSA-N 0 2 371.849 4.204 50 0 FIAALN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c(C)c1 ZINC000001115160 206145173 /nfs/dbraw/zinc/14/51/73/206145173.db2.gz UEEPSIQOCOBXEL-UHFFFAOYSA-N 0 2 365.524 4.312 50 0 FIAALN COc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc21 ZINC000004137808 206171469 /nfs/dbraw/zinc/17/14/69/206171469.db2.gz MJZDMCCLCPXIIR-UHFFFAOYSA-N 0 2 357.416 4.387 50 0 FIAALN Cc1cccc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)c1 ZINC000100479990 570504512 /nfs/dbraw/zinc/50/45/12/570504512.db2.gz GYQQGTADOBJKGA-UHFFFAOYSA-N 0 2 364.445 4.314 50 0 FIAALN CCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 ZINC000072427489 570571134 /nfs/dbraw/zinc/57/11/34/570571134.db2.gz QICSJMLLDQZYLI-UHFFFAOYSA-N 0 2 357.797 4.087 50 0 FIAALN O=c1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c[nH]c2ccccc21 ZINC000020715725 570923414 /nfs/dbraw/zinc/92/34/14/570923414.db2.gz UOSRGCFJBBOTJP-UHFFFAOYSA-N 0 2 357.291 4.264 50 0 FIAALN Cc1ccc(C(=O)Nc2c(Nc3ccccc3)[nH]n3c2nc(C)cc3=O)cc1 ZINC000112579827 570959113 /nfs/dbraw/zinc/95/91/13/570959113.db2.gz SVIBBSASOGZAEB-UHFFFAOYSA-N 0 2 373.416 4.048 50 0 FIAALN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000024831563 570983339 /nfs/dbraw/zinc/98/33/39/570983339.db2.gz QYDKUINXHFUIHI-OAHLLOKOSA-N 0 2 355.463 4.187 50 0 FIAALN O=c1cc(-c2ccccc2)oc2c1c(O)cc1c2[C@H](c2ccco2)CC(=O)O1 ZINC000096115100 571334453 /nfs/dbraw/zinc/33/44/53/571334453.db2.gz PVSQTOIIUCMCGI-ZDUSSCGKSA-N 0 2 374.348 4.200 50 0 biogenic FIAALN COC(=O)c1c(-c2ccccc2)csc1NS(=O)(=O)c1ccccc1 ZINC000096563992 571336193 /nfs/dbraw/zinc/33/61/93/571336193.db2.gz IZMLPHFQJPCYKD-UHFFFAOYSA-N 0 2 373.455 4.003 50 0 FIAALN CC(C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043533 571344012 /nfs/dbraw/zinc/34/40/12/571344012.db2.gz GTEPOYMISUJSHO-UHFFFAOYSA-N 0 2 371.506 4.088 50 0 FIAALN O=C([O-])C/C(=C/c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2s1 ZINC000032717086 1121417980 /nfs/dbraw/zinc/41/79/80/1121417980.db2.gz LECZWVOPJSCEDP-PTNGSMBKSA-N 0 2 361.426 4.497 50 0 FIAALN CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000000628762 203936270 /nfs/dbraw/zinc/93/62/70/203936270.db2.gz MMFRMJOFIZAVFB-UHFFFAOYSA-N 0 2 360.298 4.435 50 0 FIAALN CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2c1COC(C)(C)C2 ZINC000002415252 204038800 /nfs/dbraw/zinc/03/88/00/204038800.db2.gz ZXLSVWGSRDHMEM-UHFFFAOYSA-N 0 2 361.492 4.170 50 0 FIAALN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000002882051 204066628 /nfs/dbraw/zinc/06/66/28/204066628.db2.gz YXPAAOVESZYQDF-UHFFFAOYSA-N 0 2 354.859 4.058 50 0 FIAALN CCCc1cc2c(cc1O)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005904262 204229606 /nfs/dbraw/zinc/22/96/06/204229606.db2.gz XIPGJLJFVKPWQP-UHFFFAOYSA-N 0 2 352.386 4.198 50 0 biogenic FIAALN CC1(C)Cc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000006241286 204241610 /nfs/dbraw/zinc/24/16/10/204241610.db2.gz LMUKCFTVLCYAGB-UHFFFAOYSA-N 0 2 372.515 4.215 50 0 FIAALN O=S(=O)(Nc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000007709441 204304976 /nfs/dbraw/zinc/30/49/76/204304976.db2.gz CJDYTYROWWYHIX-UHFFFAOYSA-N 0 2 353.230 4.342 50 0 FIAALN CC1=NN(c2nc3ccccc3[nH]2)C(=O)[C@@H]1Cc1cccc2ccccc21 ZINC000009060112 204353154 /nfs/dbraw/zinc/35/31/54/204353154.db2.gz AMXMPSMSXZFASY-GOSISDBHSA-N 0 2 354.413 4.298 50 0 FIAALN Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000009060112 204353159 /nfs/dbraw/zinc/35/31/59/204353159.db2.gz AMXMPSMSXZFASY-GOSISDBHSA-N 0 2 354.413 4.298 50 0 FIAALN O=C([O-])c1cc([NH+]2CCCCCC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000045967546 205127715 /nfs/dbraw/zinc/12/77/15/205127715.db2.gz KENUIDKTYKFCPX-UHFFFAOYSA-N 0 2 356.397 4.157 50 0 FIAALN Cc1cc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)on1 ZINC000049544144 205172481 /nfs/dbraw/zinc/17/24/81/205172481.db2.gz BEDXVQXIWWZZIX-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN COC(=O)c1c(SCc2ccc(C)cc2C)[nH]c2ccccc2c1=O ZINC000015731499 220163090 /nfs/dbraw/zinc/16/30/90/220163090.db2.gz HIGYKFYGBZHBMO-UHFFFAOYSA-N 0 2 353.443 4.224 50 0 FIAALN O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1 ZINC000004036350 206164358 /nfs/dbraw/zinc/16/43/58/206164358.db2.gz VCTKYBRBZRZBGQ-UHFFFAOYSA-N 0 2 373.484 4.221 50 0 FIAALN CC(C)CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 ZINC000100732849 206225043 /nfs/dbraw/zinc/22/50/43/206225043.db2.gz RCDUPJZGUYSYMA-UHFFFAOYSA-N 0 2 368.408 4.145 50 0 FIAALN CCOc1ccc(Oc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)cc1 ZINC000011505939 570450771 /nfs/dbraw/zinc/45/07/71/570450771.db2.gz AWADBKLAHBDMFE-UHFFFAOYSA-N 0 2 374.400 4.401 50 0 FIAALN CCOc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 ZINC000072238532 570993561 /nfs/dbraw/zinc/99/35/61/570993561.db2.gz XHCZPWITEXOCFG-UHFFFAOYSA-N 0 2 357.797 4.087 50 0 FIAALN O=c1c2cccc(F)c2[nH]cc1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000015828800 571130045 /nfs/dbraw/zinc/13/00/45/571130045.db2.gz CXKWUIIGAWWZHZ-UHFFFAOYSA-N 0 2 372.204 4.219 50 0 FIAALN Cc1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1F ZINC000097229570 571216463 /nfs/dbraw/zinc/21/64/63/571216463.db2.gz SYYVQBMWSNRBQZ-UHFFFAOYSA-N 0 2 374.315 4.095 50 0 FIAALN CCc1cc(-c2csc(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)on1 ZINC000033290287 571230213 /nfs/dbraw/zinc/23/02/13/571230213.db2.gz YRWOHHAZIRWYGV-UHFFFAOYSA-N 0 2 362.476 4.383 50 0 FIAALN Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc21 ZINC000002228251 571291482 /nfs/dbraw/zinc/29/14/82/571291482.db2.gz DPKIZRNZECBVSR-UHFFFAOYSA-N 0 2 354.413 4.094 50 0 FIAALN O=S(=O)(Nc1cnoc1-c1ccccc1)c1cc(Cl)ccc1Cl ZINC000095454513 571329925 /nfs/dbraw/zinc/32/99/25/571329925.db2.gz FSAXOEDBEYRTLM-UHFFFAOYSA-N 0 2 369.229 4.449 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)on1 ZINC000020978397 571332058 /nfs/dbraw/zinc/33/20/58/571332058.db2.gz MIOGOIXEEZFMGL-UHFFFAOYSA-N 0 2 372.830 4.305 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)on1 ZINC000007005493 204285834 /nfs/dbraw/zinc/28/58/34/204285834.db2.gz XOICANYNGYRBNP-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN O=c1nc(CSCc2ccccc2Br)[nH]c2ccsc21 ZINC000009585652 204375387 /nfs/dbraw/zinc/37/53/87/204375387.db2.gz CTHPZWDXKMLWPZ-UHFFFAOYSA-N 0 2 367.293 4.181 50 0 FIAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)s2)c1C ZINC000009686826 204378737 /nfs/dbraw/zinc/37/87/37/204378737.db2.gz ZPBOHHWBNGHKNY-UHFFFAOYSA-N 0 2 365.455 4.003 50 0 FIAALN Cc1sc2[nH]c(=S)n(C[C@@H]3CCCO3)c(=O)c2c1-c1ccccc1 ZINC000017074008 204648661 /nfs/dbraw/zinc/64/86/61/204648661.db2.gz QFBRTLIZWMTZOV-ZDUSSCGKSA-N 0 2 358.488 4.275 50 0 FIAALN O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Cl)ccc1Cl ZINC000064734963 205303551 /nfs/dbraw/zinc/30/35/51/205303551.db2.gz KORLAIYENSBULC-UHFFFAOYSA-N 0 2 353.230 4.342 50 0 FIAALN COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCCO5)sc2c1 ZINC000004137838 206170744 /nfs/dbraw/zinc/17/07/44/206170744.db2.gz ZQLQTFWSMINSMH-UHFFFAOYSA-N 0 2 371.443 4.429 50 0 aggregator FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccs2)C1 ZINC000005131348 206189392 /nfs/dbraw/zinc/18/93/92/206189392.db2.gz UZLYDACUZMAVMX-RAXLEYEMSA-N 0 2 350.443 4.371 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccs2)C1 ZINC000005131348 206189397 /nfs/dbraw/zinc/18/93/97/206189397.db2.gz UZLYDACUZMAVMX-RAXLEYEMSA-N 0 2 350.443 4.371 50 0 FIAALN CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccn1 ZINC000011566012 570480911 /nfs/dbraw/zinc/48/09/11/570480911.db2.gz FJLBCCXSGGPOEG-UHFFFAOYSA-N 0 2 362.495 4.493 50 0 FIAALN CCc1ccc(Cn2c(=O)c3sc4ncccc4c3[nH]c2=S)cc1 ZINC000101275619 570817904 /nfs/dbraw/zinc/81/79/04/570817904.db2.gz NKBPUTNYSODFSN-UHFFFAOYSA-N 0 2 353.472 4.279 50 0 FIAALN CCCCc1c(C)[nH]n(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c1=O ZINC000101505699 570820807 /nfs/dbraw/zinc/82/08/07/570820807.db2.gz UIUQFTSQKFUJRV-UHFFFAOYSA-N 0 2 370.478 4.246 50 0 FIAALN CCCCc1c(C)nc2[nH]c(SCc3ccc(Cl)cc3)nn2c1=O ZINC000018029811 570874549 /nfs/dbraw/zinc/87/45/49/570874549.db2.gz STPHMSUTIDTPBD-UHFFFAOYSA-N 0 2 362.886 4.427 50 0 FIAALN C[C@H](Oc1cccnc1NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000084660466 571095207 /nfs/dbraw/zinc/09/52/07/571095207.db2.gz LHFGBKFQLPUEFT-HNNXBMFYSA-N 0 2 354.431 4.022 50 0 FIAALN O=C(c1ccc2c(c1)[nH]c(=S)n(C1CCCCC1)c2=O)N1CCCCC1 ZINC000020102264 571328018 /nfs/dbraw/zinc/32/80/18/571328018.db2.gz UMKBUXQSBLTWQD-UHFFFAOYSA-N 0 2 371.506 4.190 50 0 FIAALN Cc1cc2c([nH+]cn2C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000001385952 204002878 /nfs/dbraw/zinc/00/28/78/204002878.db2.gz ZOYCQBXYKXWTRG-UHFFFAOYSA-N 0 2 371.506 4.288 50 0 FIAALN COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000002910499 204067939 /nfs/dbraw/zinc/06/79/39/204067939.db2.gz OVWPIXMYWTUHAU-UHFFFAOYSA-N 0 2 368.216 4.309 50 0 biogenic FIAALN O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)[NH2+]1 ZINC000004548851 204146291 /nfs/dbraw/zinc/14/62/91/204146291.db2.gz AHQVXIRYGVICJX-PMACEKPBSA-N 0 2 365.454 4.207 50 0 FIAALN O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000004877435 204171686 /nfs/dbraw/zinc/17/16/86/204171686.db2.gz XQHVRNDTDHAEPK-UHFFFAOYSA-N 0 2 357.888 4.040 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)s2)on1 ZINC000007005500 204286004 /nfs/dbraw/zinc/28/60/04/204286004.db2.gz UJBMTICTCXLOQI-UHFFFAOYSA-N 0 2 368.867 4.474 50 0 FIAALN Cc1cccc2sc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc21 ZINC000006800755 204271684 /nfs/dbraw/zinc/27/16/84/204271684.db2.gz BSMXANARJTZHSV-UHFFFAOYSA-N 0 2 372.393 4.424 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)s2)on1 ZINC000006887782 204278915 /nfs/dbraw/zinc/27/89/15/204278915.db2.gz MYNARJMAWGBFEM-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN CC[C@@]1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000008766587 204344614 /nfs/dbraw/zinc/34/46/14/204344614.db2.gz AFXOCKAAWCCLLF-IBGZPJMESA-N 0 2 372.515 4.410 50 0 FIAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)s2)o1 ZINC000065003750 205313653 /nfs/dbraw/zinc/31/36/53/205313653.db2.gz IXXJHJVCMLXSAT-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN CCCn1nccc1-c1csc(S(=O)(=O)Nc2ccccc2C)c1 ZINC000065112575 205318697 /nfs/dbraw/zinc/31/86/97/205318697.db2.gz FQEJWSDQPOZVFX-UHFFFAOYSA-N 0 2 361.492 4.131 50 0 FIAALN Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 ZINC000012552650 206293775 /nfs/dbraw/zinc/29/37/75/206293775.db2.gz FGTWEMWILJKBDS-UHFFFAOYSA-N 0 2 351.642 4.151 50 0 FIAALN COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(=O)c-3c(O)c2O)cc1 ZINC000014762797 560097103 /nfs/dbraw/zinc/09/71/03/560097103.db2.gz TUUXBSASAQJECY-UHFFFAOYSA-N 0 2 368.385 4.094 50 0 biogenic,investigational FIAALN COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1 ZINC000014762797 560097104 /nfs/dbraw/zinc/09/71/04/560097104.db2.gz TUUXBSASAQJECY-UHFFFAOYSA-N 0 2 368.385 4.094 50 0 biogenic,investigational FIAALN Cc1cc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2cc1C ZINC000000798354 570456964 /nfs/dbraw/zinc/45/69/64/570456964.db2.gz GWGSVXHJLGNECI-UHFFFAOYSA-N 0 2 361.449 4.244 50 0 FIAALN CCC(CC)C(=O)Nc1cc(Br)c(O)c(Br)c1 ZINC000013941655 570797872 /nfs/dbraw/zinc/79/78/72/570797872.db2.gz BBLSABMDUDTQBO-UHFFFAOYSA-N 0 2 365.065 4.292 50 0 FIAALN CCOc1ccccc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)n[nH]1 ZINC000072238541 570993475 /nfs/dbraw/zinc/99/34/75/570993475.db2.gz BFWXBJRRMARWHN-UHFFFAOYSA-N 0 2 371.824 4.395 50 0 FIAALN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 ZINC000027822930 571022002 /nfs/dbraw/zinc/02/20/02/571022002.db2.gz RAJLUSJGSZJLOZ-UHFFFAOYSA-N 0 2 368.886 4.413 50 0 FIAALN Cc1nc2cc(NS(=O)(=O)c3c(Cl)cccc3Cl)ccc2o1 ZINC000012536097 571176116 /nfs/dbraw/zinc/17/61/16/571176116.db2.gz NDGGLPIJQZSLOX-UHFFFAOYSA-N 0 2 357.218 4.244 50 0 FIAALN C[C@H](c1ccc2c(c1)OCCCO2)n1cc[nH+]c1-c1ccccc1C(=O)[O-] ZINC000077407803 571210434 /nfs/dbraw/zinc/21/04/34/571210434.db2.gz QERNMHLIJXZXLF-CQSZACIVSA-N 0 2 364.401 4.019 50 0 FIAALN Cc1cc(-c2csc(NC(=O)c3c(O)cc(F)cc3F)n2)c(C)o1 ZINC000066049899 571289750 /nfs/dbraw/zinc/28/97/50/571289750.db2.gz HNHOEYZVGGMZEJ-UHFFFAOYSA-N 0 2 350.346 4.256 50 0 FIAALN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000095468041 571330569 /nfs/dbraw/zinc/33/05/69/571330569.db2.gz WCWJCQDPMMZOSU-UHFFFAOYSA-N 0 2 371.453 4.371 50 0 FIAALN O=C(Nc1cccc(C(F)(F)F)c1)c1[nH]nc2c1COc1ccccc1-2 ZINC000021018429 571332225 /nfs/dbraw/zinc/33/22/25/571332225.db2.gz VPSVDBBJGGTNIL-UHFFFAOYSA-N 0 2 359.307 4.240 50 0 FIAALN Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000006234371 207135086 /nfs/dbraw/zinc/13/50/86/207135086.db2.gz FHIHQUQXRZLDSA-UHFFFAOYSA-N 0 2 355.246 4.134 50 0 FIAALN O=S(=O)(Nc1cccc2cccnc21)c1cc(Cl)cc(Cl)c1 ZINC000007709464 207203587 /nfs/dbraw/zinc/20/35/87/207203587.db2.gz QNMQYTLASPEQJH-UHFFFAOYSA-N 0 2 353.230 4.342 50 0 FIAALN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 ZINC000008714622 207244068 /nfs/dbraw/zinc/24/40/68/207244068.db2.gz NXOWXFIEERHFDA-UHFFFAOYSA-N 0 2 368.886 4.413 50 0 FIAALN CCc1cc(-c2csc(S(=O)(=O)Nc3cccc(CC)c3)c2)on1 ZINC000033290292 208083126 /nfs/dbraw/zinc/08/31/26/208083126.db2.gz MRAJBCICJWOQMH-UHFFFAOYSA-N 0 2 362.476 4.329 50 0 FIAALN O=C(c1c(O)cc(F)cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000095385761 209043472 /nfs/dbraw/zinc/04/34/72/209043472.db2.gz LAXFNKYREAFWMF-UHFFFAOYSA-N 0 2 356.372 4.172 50 0 FIAALN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000001173403 132380745 /nfs/dbraw/zinc/38/07/45/132380745.db2.gz VZLRRACTUSPWHM-PDGQHHTCSA-N 0 2 358.353 4.052 50 0 FIAALN O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3CCCCC3=O)cc(O)c12 ZINC000000633873 570441506 /nfs/dbraw/zinc/44/15/06/570441506.db2.gz FOFVEQNMJXLXBU-GOSISDBHSA-N 0 2 350.370 4.056 50 0 biogenic FIAALN O=c1nn[nH]c2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000005491280 570678998 /nfs/dbraw/zinc/67/89/98/570678998.db2.gz HBAIABUDIHLLCP-UHFFFAOYSA-N 0 2 354.338 4.087 50 0 FIAALN CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 ZINC000017070408 570865361 /nfs/dbraw/zinc/86/53/61/570865361.db2.gz JXORSZSWDCTAIB-UHFFFAOYSA-N 0 2 354.859 4.023 50 0 FIAALN Cc1sc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c2c1-c1ccccc1 ZINC000017074009 570866592 /nfs/dbraw/zinc/86/65/92/570866592.db2.gz QFBRTLIZWMTZOV-CYBMUJFWSA-N 0 2 358.488 4.275 50 0 FIAALN CC1(C)Cc2c(sc3[nH]c(=S)n(C4CCCCC4)c(=O)c23)CO1 ZINC000018275848 570877887 /nfs/dbraw/zinc/87/78/87/570877887.db2.gz KCKSTBQULJLGMF-UHFFFAOYSA-N 0 2 350.509 4.477 50 0 FIAALN O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1F ZINC000028791180 571034085 /nfs/dbraw/zinc/03/40/85/571034085.db2.gz NPADBCRXTOJHRA-UHFFFAOYSA-N 0 2 363.410 4.058 50 0 FIAALN CSc1cccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000006887787 571253330 /nfs/dbraw/zinc/25/33/30/571253330.db2.gz DZHCFGNJACLDND-UHFFFAOYSA-N 0 2 366.489 4.234 50 0 FIAALN O=C(Nc1ccccc1F)c1[nH]nc(-c2ccccc2)c1Br ZINC000065094720 571253879 /nfs/dbraw/zinc/25/38/79/571253879.db2.gz VUOUVRBVBGHOGV-UHFFFAOYSA-N 0 2 360.186 4.231 50 0 FIAALN CCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000065112420 571254396 /nfs/dbraw/zinc/25/43/96/571254396.db2.gz DPXUMNMLDSJHID-UHFFFAOYSA-N 0 2 361.492 4.049 50 0 FIAALN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1C ZINC000170609245 571267393 /nfs/dbraw/zinc/26/73/93/571267393.db2.gz BWYQTQOYHOGSNR-UHFFFAOYSA-N 0 2 355.243 4.007 50 0 FIAALN O=C(NN1c2ccccc2CCc2ccccc21)C(Cl)(Cl)Cl ZINC000004154638 207003040 /nfs/dbraw/zinc/00/30/40/207003040.db2.gz XRWJZJJGXCYMPP-UHFFFAOYSA-N 0 2 355.652 4.325 50 0 FIAALN CCOC(=O)c1cc2cc(-c3c(C)oc4cc(O)ccc4c3=O)ccc2o1 ZINC000005444392 207100214 /nfs/dbraw/zinc/10/02/14/207100214.db2.gz FZNGXCQXQMBDMG-UHFFFAOYSA-N 0 2 364.353 4.397 50 0 biogenic FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)s2)on1 ZINC000007005537 207182617 /nfs/dbraw/zinc/18/26/17/207182617.db2.gz SRJOKEVLSJYELW-UHFFFAOYSA-N 0 2 368.867 4.474 50 0 FIAALN CCc1ccc(/C=C2\C[N@H+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007749652 207204879 /nfs/dbraw/zinc/20/48/79/207204879.db2.gz BQEOFTZQVOAPMC-SFQUDFHCSA-N 0 2 358.441 4.481 50 0 FIAALN CCc1ccc(/C=C2\C[N@@H+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000007749652 207204883 /nfs/dbraw/zinc/20/48/83/207204883.db2.gz BQEOFTZQVOAPMC-SFQUDFHCSA-N 0 2 358.441 4.481 50 0 FIAALN CCSc1nc2ccc(NS(=O)(=O)c3ccccc3F)cc2s1 ZINC000033298854 208082708 /nfs/dbraw/zinc/08/27/08/208082708.db2.gz KDAZZXDSMOXZLH-UHFFFAOYSA-N 0 2 368.480 4.348 50 0 FIAALN O=C([O-])c1c2cc(Cl)ccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000035287469 208122460 /nfs/dbraw/zinc/12/24/60/208122460.db2.gz HCOHYPGUXXEQAZ-UHFFFAOYSA-N 0 2 352.821 4.145 50 0 FIAALN O=C([O-])c1c2cc(Cl)ccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000035287469 208122466 /nfs/dbraw/zinc/12/24/66/208122466.db2.gz HCOHYPGUXXEQAZ-UHFFFAOYSA-N 0 2 352.821 4.145 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3cccc(C)c3C)s2)c1C ZINC000065031234 208631505 /nfs/dbraw/zinc/63/15/05/208631505.db2.gz VUDYICNTFKSHDW-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000096013477 209096975 /nfs/dbraw/zinc/09/69/75/209096975.db2.gz WAVMVMSQKOPJND-AWEZNQCLSA-N 0 2 362.470 4.131 50 0 FIAALN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000096013477 209096977 /nfs/dbraw/zinc/09/69/77/209096977.db2.gz WAVMVMSQKOPJND-AWEZNQCLSA-N 0 2 362.470 4.131 50 0 FIAALN CCCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O ZINC000002971695 263327214 /nfs/dbraw/zinc/32/72/14/263327214.db2.gz RHLRIDAGTSOYGO-UHFFFAOYSA-N 0 2 359.495 4.094 50 0 FIAALN COc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000000797230 568243579 /nfs/dbraw/zinc/24/35/79/568243579.db2.gz XMAUTJPFCQTDOW-UHFFFAOYSA-N 0 2 366.653 4.456 50 0 FIAALN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000753344 570454862 /nfs/dbraw/zinc/45/48/62/570454862.db2.gz UDNJVKGSNHZGNQ-UHFFFAOYSA-N 0 2 366.653 4.456 50 0 FIAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccc(Cl)cc1 ZINC000101275625 570818234 /nfs/dbraw/zinc/81/82/34/570818234.db2.gz UKTFIDQLEXEKOV-UHFFFAOYSA-N 0 2 359.863 4.370 50 0 FIAALN O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1Cc1ccncc1 ZINC000017075124 570866890 /nfs/dbraw/zinc/86/68/90/570866890.db2.gz NFXRIVMYUOJTJQ-UHFFFAOYSA-N 0 2 365.483 4.155 50 0 FIAALN Cc1sc2[nH]c(=S)n(-c3cc(Cl)c(O)c(Cl)c3)c(=O)c2c1C ZINC000017076400 570868310 /nfs/dbraw/zinc/86/83/10/570868310.db2.gz CTZOESIHIKXZSC-UHFFFAOYSA-N 0 2 373.286 4.365 50 0 FIAALN CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000018107394 570875032 /nfs/dbraw/zinc/87/50/32/570875032.db2.gz YXVJROUYSNWFDB-UHFFFAOYSA-N 0 2 358.488 4.020 50 0 FIAALN COc1ccc(OC)c(-c2noc(Nc3cc(Cl)ccc3OC)n2)c1 ZINC000015680423 571103753 /nfs/dbraw/zinc/10/37/53/571103753.db2.gz XSIQJVRNQQFHMD-UHFFFAOYSA-N 0 2 361.785 4.159 50 0 FIAALN O=S(=O)(Nc1nnc(CCC2CCCC2)s1)c1ccc(Cl)cc1 ZINC000071770937 571166263 /nfs/dbraw/zinc/16/62/63/571166263.db2.gz YLWJDBIJVXHSDW-UHFFFAOYSA-N 0 2 371.915 4.115 50 0 FIAALN CCCc1cc2c(cc1O)oc(CC)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000005904268 571204530 /nfs/dbraw/zinc/20/45/30/571204530.db2.gz QARKTTBQZMQACQ-UHFFFAOYSA-N 0 2 366.413 4.452 50 0 biogenic FIAALN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000064947028 571247240 /nfs/dbraw/zinc/24/72/40/571247240.db2.gz VMCPNXOVEXIEAK-UHFFFAOYSA-N 0 2 369.490 4.215 50 0 FIAALN 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/nfs/dbraw/zinc/08/31/35/207083135.db2.gz RZCOOQYJAFRQDB-RVDMUPIBSA-N 0 2 362.404 4.448 50 0 FIAALN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000007402750 207195602 /nfs/dbraw/zinc/19/56/02/207195602.db2.gz QEVHRQPCJJCZNG-UHFFFAOYSA-N 0 2 366.689 4.273 50 0 FIAALN Cc1nc(SCc2nc(=O)c3sccc3[nH]2)n(C2CCCC2)c1C ZINC000009365941 207268829 /nfs/dbraw/zinc/26/88/29/207268829.db2.gz VDVBAEWUGNHMDN-UHFFFAOYSA-N 0 2 360.508 4.205 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(OC)c2)C1 ZINC000033782449 208098993 /nfs/dbraw/zinc/09/89/93/208098993.db2.gz BAPDPELWEWWYDN-WJDWOHSUSA-N 0 2 374.440 4.318 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(OC)c2)C1 ZINC000033782449 208098996 /nfs/dbraw/zinc/09/89/96/208098996.db2.gz BAPDPELWEWWYDN-WJDWOHSUSA-N 0 2 374.440 4.318 50 0 FIAALN CCc1cc(-c2csc(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)on1 ZINC000033290290 208083135 /nfs/dbraw/zinc/08/31/35/208083135.db2.gz AWVQUBBLSWKKGK-UHFFFAOYSA-N 0 2 362.476 4.383 50 0 FIAALN Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000046894496 208369230 /nfs/dbraw/zinc/36/92/30/208369230.db2.gz AFGVDWOSXHWPOE-UHFFFAOYSA-N 0 2 372.471 4.110 50 0 FIAALN COc1cc2c(cc1NS(=O)(=O)c1ccccc1)oc1ccccc12 ZINC000003893917 570771917 /nfs/dbraw/zinc/77/19/17/570771917.db2.gz AAHJBQWZKABMQU-UHFFFAOYSA-N 0 2 353.399 4.395 50 0 FIAALN S=C1N[C@@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000013635986 570781749 /nfs/dbraw/zinc/78/17/49/570781749.db2.gz LZYZYGLFWUPFCS-VQIMIIECSA-N 0 2 367.499 4.307 50 0 FIAALN Cc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1 ZINC000023194576 570959307 /nfs/dbraw/zinc/95/93/07/570959307.db2.gz VTSUTPHQWJMWAC-UHFFFAOYSA-N 0 2 372.471 4.110 50 0 FIAALN CC(C)(C)c1ccc(CCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1 ZINC000058315282 571130972 /nfs/dbraw/zinc/13/09/72/571130972.db2.gz PWYDYAOIWUVFAA-UHFFFAOYSA-N 0 2 365.433 4.311 50 0 FIAALN Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000068741080 571153609 /nfs/dbraw/zinc/15/36/09/571153609.db2.gz YCADRJOKCSDVCR-UHFFFAOYSA-N 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ZINC000045967550 208344467 /nfs/dbraw/zinc/34/44/67/208344467.db2.gz LWKITBQEGHJDLJ-UHFFFAOYSA-N 0 2 352.434 4.326 50 0 FIAALN Cc1ccc(C(=O)Nc2ccc([N@@H+]3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588707 136133313 /nfs/dbraw/zinc/13/33/13/136133313.db2.gz VLTMUJHPEMBXHW-HNNXBMFYSA-N 0 2 352.434 4.182 50 0 FIAALN Cc1ccc(C(=O)Nc2ccc([N@H+]3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588707 136133314 /nfs/dbraw/zinc/13/33/14/136133314.db2.gz VLTMUJHPEMBXHW-HNNXBMFYSA-N 0 2 352.434 4.182 50 0 FIAALN CCCc1cc2c(cc1O)oc(=O)c(-c1nc3ccccc3s1)c2O ZINC000011865280 570597163 /nfs/dbraw/zinc/59/71/63/570597163.db2.gz LNCRFJZDEQUCCQ-UHFFFAOYSA-N 0 2 353.399 4.433 50 0 FIAALN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2c1 ZINC000013948041 570798774 /nfs/dbraw/zinc/79/87/74/570798774.db2.gz HGSCBMVQPNYTHY-UHFFFAOYSA-N 0 2 362.476 4.113 50 0 FIAALN COc1ccc(Cn2c(=O)c3sc4ccccc4c3[nH]c2=S)cc1 ZINC000102723818 570861063 /nfs/dbraw/zinc/86/10/63/570861063.db2.gz KZQCZCQTRGZTMA-UHFFFAOYSA-N 0 2 354.456 4.331 50 0 FIAALN CCCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl ZINC000027824362 571022379 /nfs/dbraw/zinc/02/23/79/571022379.db2.gz LKWOBJYLDXUONY-UHFFFAOYSA-N 0 2 354.859 4.105 50 0 FIAALN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414246 571158790 /nfs/dbraw/zinc/15/87/90/571158790.db2.gz RVHHTJBZVINLNC-UHFFFAOYSA-N 0 2 356.447 4.168 50 0 FIAALN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)s2)cc1Cl ZINC000065031107 571250901 /nfs/dbraw/zinc/25/09/01/571250901.db2.gz LUSNMQSVNHLAQM-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2cccc(Cl)c2)s1 ZINC000065183492 571256030 /nfs/dbraw/zinc/25/60/30/571256030.db2.gz XBWHDMZERHECTG-UHFFFAOYSA-N 0 2 369.899 4.282 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2cc(C)ccc2C)s1 ZINC000065183512 571256037 /nfs/dbraw/zinc/25/60/37/571256037.db2.gz HRGMDOOSXZWKFX-UHFFFAOYSA-N 0 2 363.508 4.245 50 0 FIAALN CCCCCn1c(O)c(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 ZINC000002271554 571294374 /nfs/dbraw/zinc/29/43/74/571294374.db2.gz RDFNLEIODHBOEU-UHFFFAOYSA-N 0 2 364.445 4.458 50 0 FIAALN CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2C)c1=O ZINC000002271554 571294375 /nfs/dbraw/zinc/29/43/75/571294375.db2.gz RDFNLEIODHBOEU-UHFFFAOYSA-N 0 2 364.445 4.458 50 0 FIAALN COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 ZINC000253398160 571311991 /nfs/dbraw/zinc/31/19/91/571311991.db2.gz BZERRCYVNCNEDV-SFHVURJKSA-N 0 2 374.392 4.073 50 0 biogenic FIAALN O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O ZINC000000537985 210250385 /nfs/dbraw/zinc/25/03/85/210250385.db2.gz YALKQBRWLMDVSA-UHFFFAOYSA-N 0 2 371.028 4.170 50 0 in-man FIAALN COc1cccc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)c1 ZINC000005607398 210229454 /nfs/dbraw/zinc/22/94/54/210229454.db2.gz NXEBGESXKOLKCG-UHFFFAOYSA-N 0 2 352.264 4.318 50 0 biogenic FIAALN Cc1nnc(-c2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)s2)o1 ZINC000064920051 212048203 /nfs/dbraw/zinc/04/82/03/212048203.db2.gz QHWZBTAVNQVJBB-UHFFFAOYSA-N 0 2 363.464 4.031 50 0 FIAALN COc1ccc(-c2cc(=O)n3[nH]cc(-c4ccc(Cl)cc4)c3n2)cc1 ZINC000071405459 211684974 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/nfs/dbraw/zinc/32/23/04/210322304.db2.gz IVIZLIVARXJIOQ-UHFFFAOYSA-N 0 2 370.652 4.104 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc(C)cc2C)s1 ZINC000065183513 221175279 /nfs/dbraw/zinc/17/52/79/221175279.db2.gz GLFYPXJESIWCLC-UHFFFAOYSA-N 0 2 363.508 4.245 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)c1C ZINC000065031304 221164625 /nfs/dbraw/zinc/16/46/25/221164625.db2.gz JKWCLDPJZWIVIY-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2C)c1=O ZINC000100498430 222245424 /nfs/dbraw/zinc/24/54/24/222245424.db2.gz NCLRHYSQFMBIAO-UHFFFAOYSA-N 0 2 364.445 4.458 50 0 FIAALN CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(C)cc2C)c1=O ZINC000100475738 222245811 /nfs/dbraw/zinc/24/58/11/222245811.db2.gz YXBKMQHNCHCUOP-UHFFFAOYSA-N 0 2 364.445 4.376 50 0 FIAALN COC(=O)c1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 ZINC000005025735 570576231 /nfs/dbraw/zinc/57/62/31/570576231.db2.gz YRCGMAXGOOVABK-UHFFFAOYSA-N 0 2 371.443 4.445 50 0 FIAALN O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccccc1Cl ZINC000101275627 570818166 /nfs/dbraw/zinc/81/81/66/570818166.db2.gz AJNCLYSVQWFGOO-UHFFFAOYSA-N 0 2 359.863 4.370 50 0 FIAALN O=C(c1ccc(Cl)s1)[C@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000046057913 570923177 /nfs/dbraw/zinc/92/31/77/570923177.db2.gz RLTSGNYVBXXCSW-JTQLQIEISA-N 0 2 357.822 4.100 50 0 FIAALN CSc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000225495245 571039708 /nfs/dbraw/zinc/03/97/08/571039708.db2.gz VZZCNRRKFMRZTO-UHFFFAOYSA-N 0 2 367.254 4.050 50 0 FIAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)s2)c1C ZINC000009686731 571117141 /nfs/dbraw/zinc/11/71/41/571117141.db2.gz ULWGDLXRMKVFCK-UHFFFAOYSA-N 0 2 361.492 4.173 50 0 FIAALN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc3[nH]nnc3c2)n1 ZINC000012540416 571177064 /nfs/dbraw/zinc/17/70/64/571177064.db2.gz KFVDUXRNXXXZEV-UHFFFAOYSA-N 0 2 374.429 4.123 50 0 FIAALN CCCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 ZINC000006623355 571237469 /nfs/dbraw/zinc/23/74/69/571237469.db2.gz SUJINAATKNXXRL-UHFFFAOYSA-N 0 2 369.490 4.242 50 0 FIAALN O=S(=O)(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000091695205 571242578 /nfs/dbraw/zinc/24/25/78/571242578.db2.gz SZXGUBWRAROJRG-UHFFFAOYSA-N 0 2 371.167 4.208 50 0 FIAALN CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(C)noc3C)ccc21 ZINC000007056073 571259719 /nfs/dbraw/zinc/25/97/19/571259719.db2.gz RSOGIBMWFXUUGX-UHFFFAOYSA-N 0 2 369.446 4.220 50 0 FIAALN CCCCCCc1cc(C(O)=Cc2cc(C(=O)OC)oc2C)c(O)cc1O ZINC000002105841 571277611 /nfs/dbraw/zinc/27/76/11/571277611.db2.gz LJNROTDWTJRETB-UHFFFAOYSA-N 0 2 374.433 4.334 50 0 biogenic FIAALN Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCCF)n3)c2)c1C ZINC000023231319 211378998 /nfs/dbraw/zinc/37/89/98/211378998.db2.gz ROBCWEUFMSDRSH-UHFFFAOYSA-N 0 2 353.445 4.050 50 0 FIAALN O=c1[nH]c(COc2c(Cl)cccc2Cl)nc2ccc(Cl)cc12 ZINC000023200075 211379900 /nfs/dbraw/zinc/37/99/00/211379900.db2.gz IKBOZZBEXLTCHB-UHFFFAOYSA-N 0 2 355.608 4.462 50 0 FIAALN Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccnc1-n1cccn1 ZINC000023177185 211379529 /nfs/dbraw/zinc/37/95/29/211379529.db2.gz BPHGPFHSLDVJAE-UHFFFAOYSA-N 0 2 367.459 4.013 50 0 FIAALN Cc1cc(O)c(C(=O)c2cnc3cc(-c4ccccc4)nn3c2)cc1Cl ZINC000021729209 211322109 /nfs/dbraw/zinc/32/21/09/211322109.db2.gz SSGATYSZICLFBW-UHFFFAOYSA-N 0 2 363.804 4.295 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)s2)c1C ZINC000065031296 221164918 /nfs/dbraw/zinc/16/49/18/221164918.db2.gz VZCWYJLQZCLFPM-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000002275386 132383091 /nfs/dbraw/zinc/38/30/91/132383091.db2.gz CLTRHPZGVHXSHM-UHFFFAOYSA-N 0 2 374.456 4.409 50 0 FIAALN C[C@@H]1CCC[N@@H+](c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588767 136133302 /nfs/dbraw/zinc/13/33/02/136133302.db2.gz VQFRXYXXNOZVHE-CYBMUJFWSA-N 0 2 356.397 4.013 50 0 FIAALN C[C@@H]1CCC[N@H+](c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)C1 ZINC000064588767 136133303 /nfs/dbraw/zinc/13/33/03/136133303.db2.gz VQFRXYXXNOZVHE-CYBMUJFWSA-N 0 2 356.397 4.013 50 0 FIAALN CCc1ccc(/C=C2/C[N@H+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000096997105 222149125 /nfs/dbraw/zinc/14/91/25/222149125.db2.gz BQEOFTZQVOAPMC-ATVHPVEESA-N 0 2 358.441 4.481 50 0 FIAALN CCc1ccc(/C=C2/C[N@@H+](C)Cc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000096997105 222149128 /nfs/dbraw/zinc/14/91/28/222149128.db2.gz BQEOFTZQVOAPMC-ATVHPVEESA-N 0 2 358.441 4.481 50 0 FIAALN COc1ccc(N2N=C(C)C(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000100139176 222236943 /nfs/dbraw/zinc/23/69/43/222236943.db2.gz TUPOMRPYIJZQHZ-UHFFFAOYSA-N 0 2 373.250 4.248 50 0 FIAALN CCCCc1c(C)nc2[nH]c(C(c3ccccc3)c3ccccc3)nn2c1=O ZINC000101418181 222274531 /nfs/dbraw/zinc/27/45/31/222274531.db2.gz PEUBQPXCTPTKAM-UHFFFAOYSA-N 0 2 372.472 4.249 50 0 FIAALN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000007402837 570663707 /nfs/dbraw/zinc/66/37/07/570663707.db2.gz OZTSNESGUOAXGD-UHFFFAOYSA-N 0 2 366.689 4.273 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2F)C1 ZINC000006429647 570864105 /nfs/dbraw/zinc/86/41/05/570864105.db2.gz JZOMAOCGTVZCFY-RVDMUPIBSA-N 0 2 362.404 4.448 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccccc2F)C1 ZINC000006429647 570864108 /nfs/dbraw/zinc/86/41/08/570864108.db2.gz JZOMAOCGTVZCFY-RVDMUPIBSA-N 0 2 362.404 4.448 50 0 FIAALN Cc1noc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1C ZINC000044891040 570902060 /nfs/dbraw/zinc/90/20/60/570902060.db2.gz DYBZMSIVJYHZNP-UHFFFAOYSA-N 0 2 368.867 4.474 50 0 FIAALN O=S(=O)(Nc1cccc2ccccc21)c1ccc(-c2cc[nH]n2)s1 ZINC000075351866 571162104 /nfs/dbraw/zinc/16/21/04/571162104.db2.gz YAHSRHLQUMWPLF-UHFFFAOYSA-N 0 2 355.444 4.092 50 0 FIAALN Cc1cc(N2CC[C@@H](c3ccccc3C(=O)[O-])C2)nc(-c2ccccc2)[nH+]1 ZINC000072161267 571175651 /nfs/dbraw/zinc/17/56/51/571175651.db2.gz BJHSSPMIGWQGNO-QGZVFWFLSA-N 0 2 359.429 4.144 50 0 FIAALN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C(=O)CCC3 ZINC000004735752 571227293 /nfs/dbraw/zinc/22/72/93/571227293.db2.gz CGROUMZHLSKYRV-UHFFFAOYSA-N 0 2 361.444 4.123 50 0 FIAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)o1 ZINC000065003753 571250063 /nfs/dbraw/zinc/25/00/63/571250063.db2.gz QNLOZDAPTMFLLU-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN Cc1ncc(-c2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)s2)o1 ZINC000065003858 571250090 /nfs/dbraw/zinc/25/00/90/571250090.db2.gz MLFOXJFGWFDULA-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN Cc1ccccc1NS(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004087 571250245 /nfs/dbraw/zinc/25/02/45/571250245.db2.gz SCQOBIMSUCAQNX-UHFFFAOYSA-N 0 2 360.460 4.390 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)C2C=C(C)C=C[C@H]2N=C1 ZINC000004107049 571355385 /nfs/dbraw/zinc/35/53/85/571355385.db2.gz ZUKDHQBTBFLSDK-SJLPKXTDSA-N 0 2 357.837 4.259 50 0 FIAALN CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@@H]2C=C(C)C=C[C@H]2N=C1 ZINC000004107049 571355386 /nfs/dbraw/zinc/35/53/86/571355386.db2.gz ZUKDHQBTBFLSDK-SJLPKXTDSA-N 0 2 357.837 4.259 50 0 FIAALN O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)nc2ccccn21 ZINC000888088920 1086537930 /nfs/dbraw/zinc/53/79/30/1086537930.db2.gz XQMBFKLQCKXAJS-UHFFFAOYSA-N 0 2 370.364 4.186 50 0 FIAALN O=c1cc(-c2ccccc2)oc2cc(O[C@H]3CCCCC3=O)cc(O)c12 ZINC000000633871 210254581 /nfs/dbraw/zinc/25/45/81/210254581.db2.gz FOFVEQNMJXLXBU-SFHVURJKSA-N 0 2 350.370 4.056 50 0 biogenic FIAALN COc1ccc(-c2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cc1OC ZINC000005485148 210229845 /nfs/dbraw/zinc/22/98/45/210229845.db2.gz WYVFALHDGUUCAQ-UHFFFAOYSA-N 0 2 366.291 4.202 50 0 biogenic FIAALN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc(Cl)cc1Cl ZINC000023731134 211395753 /nfs/dbraw/zinc/39/57/53/211395753.db2.gz QUNRCMKMLZLJEX-UHFFFAOYSA-N 0 2 354.262 4.336 50 0 FIAALN CCOc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000023229314 211380714 /nfs/dbraw/zinc/38/07/14/211380714.db2.gz SEUAIKHVBIHVJX-UHFFFAOYSA-N 0 2 367.445 4.399 50 0 FIAALN COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000020627248 211292157 /nfs/dbraw/zinc/29/21/57/211292157.db2.gz NSVRFNQIXKHICO-UHFFFAOYSA-N 0 2 352.264 4.173 50 0 FIAALN O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccnc1)CCCCCC3 ZINC000017073843 211178140 /nfs/dbraw/zinc/17/81/40/211178140.db2.gz HEDFMIYKKCKNMG-UHFFFAOYSA-N 0 2 357.504 4.223 50 0 FIAALN COC(=O)c1c(SCc2ccccc2Cl)[nH]c2ccccc2c1=O ZINC000015731496 211139542 /nfs/dbraw/zinc/13/95/42/211139542.db2.gz BHCBKBMXRNVVJF-UHFFFAOYSA-N 0 2 359.834 4.260 50 0 FIAALN O=C1CC(=O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2N1 ZINC000013401791 211033098 /nfs/dbraw/zinc/03/30/98/211033098.db2.gz SRTQIISYGUSLIN-UHFFFAOYSA-N 0 2 363.320 4.337 50 0 FIAALN CCc1ccc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 ZINC000002329150 210391442 /nfs/dbraw/zinc/39/14/42/210391442.db2.gz YCFHNEXQDSSGPX-UHFFFAOYSA-N 0 2 361.449 4.189 50 0 FIAALN Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Cc3ccccc3)cc2)cc1 ZINC000001117121 210320075 /nfs/dbraw/zinc/32/00/75/210320075.db2.gz MNHWWGDXBDXWDH-UHFFFAOYSA-N 0 2 364.466 4.242 50 0 FIAALN COc1ccc2c(c1)sc1nc(O)c(-c3c(C)cc(C)cc3C)c(=O)n21 ZINC000095346827 221850096 /nfs/dbraw/zinc/85/00/96/221850096.db2.gz LQIIUHVWGGKSNK-UHFFFAOYSA-N 0 2 366.442 4.216 50 0 FIAALN COc1ccccc1N1N=C(C)C(Cc2ccc(Br)cc2)C1=O ZINC000100139202 222237532 /nfs/dbraw/zinc/23/75/32/222237532.db2.gz GCRXKQICIATGNX-UHFFFAOYSA-N 0 2 373.250 4.248 50 0 FIAALN CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O ZINC000011565891 570480936 /nfs/dbraw/zinc/48/09/36/570480936.db2.gz ZAHLGSOUHMNFFV-UHFFFAOYSA-N 0 2 363.479 4.414 50 0 FIAALN C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)C1 ZINC000006420481 570646955 /nfs/dbraw/zinc/64/69/55/570646955.db2.gz ZGMDDXCAAKUXTC-GFCCVEGCSA-N 0 2 356.516 4.488 50 0 FIAALN CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccnc1 ZINC000011566013 570703531 /nfs/dbraw/zinc/70/35/31/570703531.db2.gz GFJRSWVJMAHWMO-UHFFFAOYSA-N 0 2 362.495 4.493 50 0 FIAALN Cc1ccc(Nc2[nH]n3c(nc(C)cc3=O)c2NC(=O)c2ccccc2)cc1 ZINC000112579841 570959288 /nfs/dbraw/zinc/95/92/88/570959288.db2.gz DWKXCJQFPDOCQM-UHFFFAOYSA-N 0 2 373.416 4.048 50 0 FIAALN CCc1cc2c(cc1O)occ(-c1nnc(-c3ccccc3)s1)c2=O ZINC000008393099 571044610 /nfs/dbraw/zinc/04/46/10/571044610.db2.gz LJNGLZIVCIPGHB-UHFFFAOYSA-N 0 2 350.399 4.247 50 0 FIAALN O=c1c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c[nH]c2ccccc21 ZINC000038652229 571047497 /nfs/dbraw/zinc/04/74/97/571047497.db2.gz KGJDBFXDFAJKOI-UHFFFAOYSA-N 0 2 373.290 4.144 50 0 FIAALN O=S(=O)(Nc1cc(Cl)ccc1O)c1cc(Cl)ccc1Cl ZINC000035592593 571182585 /nfs/dbraw/zinc/18/25/85/571182585.db2.gz PYJAERXLWHRYNO-UHFFFAOYSA-N 0 2 352.626 4.153 50 0 FIAALN Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)[nH]n2)cc1 ZINC000005827294 571166355 /nfs/dbraw/zinc/16/63/55/571166355.db2.gz WOFPRADGMOBLLN-UHFFFAOYSA-N 0 2 355.463 4.309 50 0 FIAALN CCCc1cc2c(cc1O)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000005900293 571167827 /nfs/dbraw/zinc/16/78/27/571167827.db2.gz IKTHWJWVBYKWAF-UHFFFAOYSA-N 0 2 352.386 4.279 50 0 biogenic FIAALN CCCCOc1ccc(S(=O)(=O)Nc2ncccc2C)cc1C(C)C ZINC000230514515 571309484 /nfs/dbraw/zinc/30/94/84/571309484.db2.gz PCLFPWWYBBUYGH-UHFFFAOYSA-N 0 2 362.495 4.493 50 0 FIAALN CCCCc1cc2c(cc1OCc1ccccc1)[nH]cc(C(=O)OC)c2=O ZINC000100033029 210082381 /nfs/dbraw/zinc/08/23/81/210082381.db2.gz NNOPDLNHPOLRRE-UHFFFAOYSA-N 0 2 365.429 4.236 50 0 endogenous,in-man FIAALN COc1ccc(NS(=O)(=O)c2cccs2)cc1Cc1ccccc1 ZINC000016729673 220192574 /nfs/dbraw/zinc/19/25/74/220192574.db2.gz LHPWEVVYFXXEDJ-UHFFFAOYSA-N 0 2 359.472 4.148 50 0 FIAALN Cc1cc(NC(=O)[C@@H](C)Sc2ccccn2)ccc1Br ZINC000023190041 211379286 /nfs/dbraw/zinc/37/92/86/211379286.db2.gz JNVOJNXYXRMEIB-LLVKDONJSA-N 0 2 351.269 4.272 50 0 FIAALN O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1Cc1ccccn1 ZINC000017072951 211175371 /nfs/dbraw/zinc/17/53/71/211175371.db2.gz JZVVEUIFJSMJHV-UHFFFAOYSA-N 0 2 351.456 4.231 50 0 FIAALN O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1cccs1 ZINC000014706689 211098288 /nfs/dbraw/zinc/09/82/88/211098288.db2.gz DMQIMNSQNZVGRE-UHFFFAOYSA-N 0 2 362.501 4.236 50 0 FIAALN Cc1cc(C)c2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 ZINC000002431464 210398340 /nfs/dbraw/zinc/39/83/40/210398340.db2.gz CHYOYVRKCHRMQM-UHFFFAOYSA-N 0 2 361.449 4.244 50 0 FIAALN CC(C)(C)c1ccc(-c2cc(NS(=O)(=O)c3ccccc3)[nH]n2)cc1 ZINC000001037323 210304259 /nfs/dbraw/zinc/30/42/59/210304259.db2.gz ZQAJZUFFEIASAM-UHFFFAOYSA-N 0 2 355.463 4.175 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2ccc(F)c(C)c2)s1 ZINC000065183537 221175747 /nfs/dbraw/zinc/17/57/47/221175747.db2.gz UZCDYQKYKIYVOR-UHFFFAOYSA-N 0 2 367.471 4.076 50 0 FIAALN Cc1cccc(NS(=O)(=O)c2cc(-c3ccnn3C(C)C)cs2)c1 ZINC000065112533 221169481 /nfs/dbraw/zinc/16/94/81/221169481.db2.gz GKGLHJKHZNUQNH-UHFFFAOYSA-N 0 2 361.492 4.302 50 0 FIAALN Cc1cccc(C(=O)Nc2ccc([N@@H+]3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000064588859 136133280 /nfs/dbraw/zinc/13/32/80/136133280.db2.gz LZANUGVJCYOXKE-OAHLLOKOSA-N 0 2 352.434 4.182 50 0 FIAALN Cc1cccc(C(=O)Nc2ccc([N@H+]3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000064588859 136133281 /nfs/dbraw/zinc/13/32/81/136133281.db2.gz LZANUGVJCYOXKE-OAHLLOKOSA-N 0 2 352.434 4.182 50 0 FIAALN CC1=NN(c2nc3ccccc3[nH]2)C(=O)[C@H]1Cc1cccc2ccccc21 ZINC000096300006 222113637 /nfs/dbraw/zinc/11/36/37/222113637.db2.gz AMXMPSMSXZFASY-SFHVURJKSA-N 0 2 354.413 4.298 50 0 FIAALN 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571354055 /nfs/dbraw/zinc/35/40/55/571354055.db2.gz FGPAIVNASPBDJJ-UHFFFAOYSA-N 0 2 352.386 4.116 50 0 biogenic FIAALN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncnc2ccccc21 ZINC000008132329 571359338 /nfs/dbraw/zinc/35/93/38/571359338.db2.gz TZEWEMDKYQULII-UHFFFAOYSA-N 0 2 355.463 4.037 50 0 FIAALN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)s1 ZINC000000639803 219307335 /nfs/dbraw/zinc/30/73/35/219307335.db2.gz NCIOQRPCGQWUJD-UHFFFAOYSA-N 0 2 366.689 4.273 50 0 FIAALN C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000012684421 220018090 /nfs/dbraw/zinc/01/80/90/220018090.db2.gz MPUARGRZAALPEA-JTQLQIEISA-N 0 2 356.476 4.200 50 0 FIAALN O=c1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c[nH]c2ccccc21 ZINC000020723325 220339374 /nfs/dbraw/zinc/33/93/74/220339374.db2.gz BZELVXHTXZIKJM-UHFFFAOYSA-N 0 2 357.291 4.264 50 0 FIAALN Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)Nc1cccc(C)c1C ZINC000064947011 221156824 /nfs/dbraw/zinc/15/68/24/221156824.db2.gz DNVWGUIYZAUYNH-UHFFFAOYSA-N 0 2 369.490 4.215 50 0 FIAALN O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccno2)s1 ZINC000065031055 221164647 /nfs/dbraw/zinc/16/46/47/221164647.db2.gz HWNHXUQKBJILBS-UHFFFAOYSA-N 0 2 374.365 4.223 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)s2)c1C ZINC000065031369 221164983 /nfs/dbraw/zinc/16/49/83/221164983.db2.gz RUPRKJDYYCRZFD-UHFFFAOYSA-N 0 2 366.439 4.268 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2F)C1 ZINC000096767617 222130222 /nfs/dbraw/zinc/13/02/22/222130222.db2.gz JZOMAOCGTVZCFY-PTNGSMBKSA-N 0 2 362.404 4.448 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccccc2F)C1 ZINC000096767617 222130226 /nfs/dbraw/zinc/13/02/26/222130226.db2.gz JZOMAOCGTVZCFY-PTNGSMBKSA-N 0 2 362.404 4.448 50 0 FIAALN CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OC)cc2)C1 ZINC000097993212 222219350 /nfs/dbraw/zinc/21/93/50/222219350.db2.gz YHLGVKXJKWHQPU-VBKFSLOCSA-N 0 2 374.440 4.318 50 0 FIAALN CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OC)cc2)C1 ZINC000097993212 222219353 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O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl ZINC000008697868 570684862 /nfs/dbraw/zinc/68/48/62/570684862.db2.gz RBYBBGZNWRNJQD-UHFFFAOYSA-N 0 2 353.230 4.342 50 0 FIAALN CCCOc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000007052829 570789152 /nfs/dbraw/zinc/78/91/52/570789152.db2.gz BBXWIHXXIURBSI-UHFFFAOYSA-N 0 2 370.268 4.039 50 0 FIAALN O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3cccc4ccccc43)cc2)[NH2+]1 ZINC000004548848 570823414 /nfs/dbraw/zinc/82/34/14/570823414.db2.gz AHQVXIRYGVICJX-VQTJNVASSA-N 0 2 365.454 4.207 50 0 FIAALN Cc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)s1 ZINC000075093592 571154463 /nfs/dbraw/zinc/15/44/63/571154463.db2.gz PUXTXLVMHVJXGB-UHFFFAOYSA-N 0 2 359.472 4.154 50 0 FIAALN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1 ZINC000012560763 571182613 /nfs/dbraw/zinc/18/26/13/571182613.db2.gz SZUWYGNRKATVEL-UHFFFAOYSA-N 0 2 351.642 4.151 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)s2)on1 ZINC000007005498 571256846 /nfs/dbraw/zinc/25/68/46/571256846.db2.gz YFSDGSJKERZDTE-UHFFFAOYSA-N 0 2 368.867 4.474 50 0 FIAALN COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c(O)c32)cc1 ZINC000253398156 571311996 /nfs/dbraw/zinc/31/19/96/571311996.db2.gz BZERRCYVNCNEDV-GOSISDBHSA-N 0 2 374.392 4.073 50 0 biogenic FIAALN COc1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000003458898 571350038 /nfs/dbraw/zinc/35/00/38/571350038.db2.gz AWAQTRXHNHNINI-UHFFFAOYSA-N 0 2 360.460 4.301 50 0 FIAALN O=S(=O)(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccs1 ZINC000001399318 219403700 /nfs/dbraw/zinc/40/37/00/219403700.db2.gz ZVEAXJMWGAWVFV-UHFFFAOYSA-N 0 2 367.455 4.159 50 0 FIAALN O=C(CC1(C(=O)[O-])CCCCC1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000013467346 220067901 /nfs/dbraw/zinc/06/79/01/220067901.db2.gz UXKDDZHWKBMQAY-UHFFFAOYSA-N 0 2 369.465 4.126 50 0 FIAALN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)Nc2cc(F)ccc2C)s1 ZINC000065183540 221175207 /nfs/dbraw/zinc/17/52/07/221175207.db2.gz OMGNDHNCDMCEDG-UHFFFAOYSA-N 0 2 367.471 4.076 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)c1C ZINC000065031214 221165211 /nfs/dbraw/zinc/16/52/11/221165211.db2.gz IEZFOVZWKJXQHU-UHFFFAOYSA-N 0 2 368.867 4.474 50 0 FIAALN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000072414290 221504367 /nfs/dbraw/zinc/50/43/67/221504367.db2.gz IDZKTFZEQDMJLT-UHFFFAOYSA-N 0 2 362.838 4.088 50 0 FIAALN C[C@@H]1CCC[N@@H+](c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588793 136133367 /nfs/dbraw/zinc/13/33/67/136133367.db2.gz MLPYZVJLIUXNNY-CYBMUJFWSA-N 0 2 356.397 4.013 50 0 FIAALN C[C@@H]1CCC[N@H+](c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)C1 ZINC000064588793 136133368 /nfs/dbraw/zinc/13/33/68/136133368.db2.gz MLPYZVJLIUXNNY-CYBMUJFWSA-N 0 2 356.397 4.013 50 0 FIAALN Cc1ccc(C(=O)Nc2ccc([N@@H+]3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588709 136133377 /nfs/dbraw/zinc/13/33/77/136133377.db2.gz VLTMUJHPEMBXHW-OAHLLOKOSA-N 0 2 352.434 4.182 50 0 FIAALN Cc1ccc(C(=O)Nc2ccc([N@H+]3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000064588709 136133378 /nfs/dbraw/zinc/13/33/78/136133378.db2.gz VLTMUJHPEMBXHW-OAHLLOKOSA-N 0 2 352.434 4.182 50 0 FIAALN Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1C ZINC000098072998 222225836 /nfs/dbraw/zinc/22/58/36/222225836.db2.gz WCWGMOXMGIAXJW-UHFFFAOYSA-N 0 2 358.232 4.006 50 0 FIAALN CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccc(C)cc2)c1=O ZINC000100498440 222245630 /nfs/dbraw/zinc/24/56/30/222245630.db2.gz SFCFEUYHJLJQDS-UHFFFAOYSA-N 0 2 350.418 4.068 50 0 FIAALN CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 ZINC000008714683 570685278 /nfs/dbraw/zinc/68/52/78/570685278.db2.gz GCAQUUUJTLFFDO-UHFFFAOYSA-N 0 2 354.859 4.023 50 0 FIAALN CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccnc1 ZINC000011565861 570703572 /nfs/dbraw/zinc/70/35/72/570703572.db2.gz WJJCSWJDFPGMPT-UHFFFAOYSA-N 0 2 362.495 4.359 50 0 FIAALN C[C@H](Cn1c(=O)c2sc3ncccc3c2[nH]c1=S)c1ccccc1 ZINC000101275694 570818170 /nfs/dbraw/zinc/81/81/70/570818170.db2.gz BDCNQIDAJAOIJN-LLVKDONJSA-N 0 2 353.472 4.472 50 0 FIAALN CCCN(Cc1nc(=O)c2sccc2[nH]1)Cc1c(F)cccc1Cl ZINC000024838920 570983808 /nfs/dbraw/zinc/98/38/08/570983808.db2.gz ANUZDMNRBZWAAJ-UHFFFAOYSA-N 0 2 365.861 4.189 50 0 FIAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000001430707 571075099 /nfs/dbraw/zinc/07/50/99/571075099.db2.gz VERHIVLYHUAKRX-UHFFFAOYSA-N 0 2 373.478 4.060 50 0 FIAALN CCCc1cc2c(cc1O)oc(CC)c(-c1ccc3c(c1)OCO3)c2=O ZINC000005904270 571168142 /nfs/dbraw/zinc/16/81/42/571168142.db2.gz RJNHFPYEGPPHDO-UHFFFAOYSA-N 0 2 352.386 4.409 50 0 biogenic FIAALN CC(C)CCN1Cc2cc(C(=O)c3cc(Cl)ccc3O)cnc2NC1=O ZINC000010025361 571270107 /nfs/dbraw/zinc/27/01/07/571270107.db2.gz LXVXYZYOCVKGPJ-UHFFFAOYSA-N 0 2 373.840 4.065 50 0 FIAALN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000002628871 571339552 /nfs/dbraw/zinc/33/95/52/571339552.db2.gz MDWKHRNWIVCOID-UHFFFAOYSA-N 0 2 372.471 4.110 50 0 FIAALN COc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003296690 571346887 /nfs/dbraw/zinc/34/68/87/571346887.db2.gz APOZVIQLGYSNJN-UHFFFAOYSA-N 0 2 365.760 4.168 50 0 FIAALN O=S(=O)(Nc1ccccc1Cc1ccccc1)c1c(F)cccc1F ZINC000003532662 571350767 /nfs/dbraw/zinc/35/07/67/571350767.db2.gz NTNMGWGEDZAEMB-UHFFFAOYSA-N 0 2 359.397 4.356 50 0 FIAALN c1sc(Nc2nc3cc4c(cc3s2)OCO4)nc1-c1cccnc1 ZINC000004061305 571354569 /nfs/dbraw/zinc/35/45/69/571354569.db2.gz SQMVYGLECCBZBY-UHFFFAOYSA-N 0 2 354.416 4.287 50 0 FIAALN O=S(=O)(Nc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1 ZINC000008132332 219848862 /nfs/dbraw/zinc/84/88/62/219848862.db2.gz RVVYQPLURRLHLR-UHFFFAOYSA-N 0 2 367.455 4.159 50 0 FIAALN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Nc1ccc(C)cc1 ZINC000012525790 220003230 /nfs/dbraw/zinc/00/32/30/220003230.db2.gz PIJNJRJUTWXHSX-UHFFFAOYSA-N 0 2 357.435 4.144 50 0 FIAALN CSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000016153962 220179933 /nfs/dbraw/zinc/17/99/33/220179933.db2.gz AQOCKRABKWUCCY-UHFFFAOYSA-N 0 2 372.443 4.097 50 0 FIAALN O=c1c(-c2nc(-c3ccc(Br)cc3)no2)c[nH]c2ccccc21 ZINC000020715752 220338726 /nfs/dbraw/zinc/33/87/26/220338726.db2.gz DLCSRPLXHSBATA-UHFFFAOYSA-N 0 2 368.190 4.008 50 0 FIAALN Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000064947294 221157044 /nfs/dbraw/zinc/15/70/44/221157044.db2.gz QJAFZEPTIMNLTI-UHFFFAOYSA-N 0 2 373.453 4.046 50 0 FIAALN CCc1ccccc1NS(=O)(=O)c1c(C)nn(-c2ccc(C)cc2)c1C ZINC000064947328 221157690 /nfs/dbraw/zinc/15/76/90/221157690.db2.gz RWORGIUGSMLGNK-UHFFFAOYSA-N 0 2 369.490 4.161 50 0 FIAALN Cc1noc(-c2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)s2)c1C ZINC000065031313 221165375 /nfs/dbraw/zinc/16/53/75/221165375.db2.gz HYWVULXPAAQVRR-UHFFFAOYSA-N 0 2 362.476 4.438 50 0 FIAALN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc2s1 ZINC000007505267 263351942 /nfs/dbraw/zinc/35/19/42/263351942.db2.gz KMTXKCGGECNSKK-UHFFFAOYSA-N 0 2 356.831 4.198 50 0 FIAALN C[NH+](Cc1cnn(-c2ccccc2Cl)c1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216233236 568113796 /nfs/dbraw/zinc/11/37/96/568113796.db2.gz LRQWQKCQPYVBQF-UHFFFAOYSA-N 0 2 366.896 4.103 50 0 FIAALN O=c1[nH]c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 ZINC000011990967 570603685 /nfs/dbraw/zinc/60/36/85/570603685.db2.gz KJYQVBAPQBRDHD-UHFFFAOYSA-N 0 2 364.257 4.431 50 0 FIAALN COCCCn1c(=O)c2c(-c3ccccc3Cl)csc2[nH]c1=S ZINC000005925458 570638911 /nfs/dbraw/zinc/63/89/11/570638911.db2.gz YGBKECVJWSCUQK-UHFFFAOYSA-N 0 2 366.895 4.477 50 0 FIAALN O=C(CS(=O)(=O)c1ccccc1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009614862 570696209 /nfs/dbraw/zinc/69/62/09/570696209.db2.gz STLLSCLUBHZGGU-HNNXBMFYSA-N 0 2 369.269 4.004 50 0 FIAALN C[C@@H](Cn1c(=O)c2sc3ncccc3c2[nH]c1=S)c1ccccc1 ZINC000101275691 570818306 /nfs/dbraw/zinc/81/83/06/570818306.db2.gz BDCNQIDAJAOIJN-NSHDSACASA-N 0 2 353.472 4.472 50 0 FIAALN CCOc1ccccc1Cn1c(=O)c2sc3ncccc3c2[nH]c1=S ZINC000102923882 570840981 /nfs/dbraw/zinc/84/09/81/570840981.db2.gz HCVLODQNKLTEEI-UHFFFAOYSA-N 0 2 369.471 4.116 50 0 FIAALN O=C(c1ccc(Cl)s1)[C@@H]1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000046057916 570922946 /nfs/dbraw/zinc/92/29/46/570922946.db2.gz RLTSGNYVBXXCSW-SNVBAGLBSA-N 0 2 357.822 4.100 50 0 FIAALN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2cccs2)c1 ZINC000046057400 570923057 /nfs/dbraw/zinc/92/30/57/570923057.db2.gz WXIUZNVEMPFZHK-HNNXBMFYSA-N 0 2 365.458 4.113 50 0 FIAALN CCc1cccc(-n2nc(C)c3c2NC(=O)CC3C(=O)c2cccs2)c1 ZINC000046057400 570923063 /nfs/dbraw/zinc/92/30/63/570923063.db2.gz WXIUZNVEMPFZHK-HNNXBMFYSA-N 0 2 365.458 4.113 50 0 FIAALN O=S(=O)(Nc1cccc2nsnc21)c1ccc(-c2ccccc2)cc1 ZINC000027794469 571021774 /nfs/dbraw/zinc/02/17/74/571021774.db2.gz DUMLJEKXYYWHDG-UHFFFAOYSA-N 0 2 367.455 4.159 50 0 FIAALN Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000012416037 571096816 /nfs/dbraw/zinc/09/68/16/571096816.db2.gz OVWVYOZXYQVGBA-UHFFFAOYSA-N 0 2 370.408 4.257 50 0 FIAALN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)s2)c1C ZINC000009686642 571117161 /nfs/dbraw/zinc/11/71/61/571117161.db2.gz HBGDMUUOMFAWHL-UHFFFAOYSA-N 0 2 367.883 4.209 50 0 FIAALN Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000006502349 571205694 /nfs/dbraw/zinc/20/56/94/571205694.db2.gz DVLAFGPYLSVMMF-UHFFFAOYSA-N 0 2 353.799 4.112 50 0 FIAALN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c(Cl)c1 ZINC000078899961 571326364 /nfs/dbraw/zinc/32/63/64/571326364.db2.gz DBYIGEZSKJQUPV-UHFFFAOYSA-N 0 2 365.760 4.174 50 0 FIAALN CC(=NNC(=O)c1c[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1O ZINC000254706118 1086370273 /nfs/dbraw/zinc/37/02/73/1086370273.db2.gz KOIKADRWXRDCOK-UHFFFAOYSA-N 0 2 362.216 4.334 50 0 FIAALN O=S(=O)(Nc1cccc2ccccc21)c1ccc(Br)s1 ZINC000000627994 219306783 /nfs/dbraw/zinc/30/67/83/219306783.db2.gz GMRBQKDHVPASFX-UHFFFAOYSA-N 0 2 368.277 4.465 50 0 FIAALN CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(C(=O)[O-])cc1 ZINC000000949069 219345541 /nfs/dbraw/zinc/34/55/41/219345541.db2.gz BJYGWOBBSDOKHU-UHFFFAOYSA-N 0 2 364.401 4.470 50 0 FIAALN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 ZINC000013677461 220083927 /nfs/dbraw/zinc/08/39/27/220083927.db2.gz IGZGVMWGRYJQRH-UHFFFAOYSA-N 0 2 372.471 4.110 50 0 FIAALN O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Cl)s1 ZINC000002647919 132383775 /nfs/dbraw/zinc/38/37/75/132383775.db2.gz RXDWTDRPUXJDPY-UHFFFAOYSA-N 0 2 356.900 4.193 50 0 in-vitro FIAALN CCOc1ccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 ZINC000100071610 222234180 /nfs/dbraw/zinc/23/41/80/222234180.db2.gz XPMVRROLSKPNOJ-UHFFFAOYSA-N 0 2 363.442 4.068 50 0 FIAALN CCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 ZINC000100467513 222245796 /nfs/dbraw/zinc/24/57/96/222245796.db2.gz IJCILFHLIIZIAU-UHFFFAOYSA-N 0 2 368.408 4.289 50 0 FIAALN CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1 ZINC000002314095 570518913 /nfs/dbraw/zinc/51/89/13/570518913.db2.gz DTDGVQCCNJPUAD-AWEZNQCLSA-N 0 2 372.515 4.266 50 0 FIAALN Oc1c(Br)cc(C2SCCS2)cc1Br ZINC000002567025 570525220 /nfs/dbraw/zinc/52/52/20/570525220.db2.gz XPGFLOLINYWQGV-UHFFFAOYSA-N 0 2 356.104 4.396 50 0 FIAALN CCC(=O)Oc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000002836478 570535239 /nfs/dbraw/zinc/53/52/39/570535239.db2.gz PVOZRVCRMYDYEP-UHFFFAOYSA-N 0 2 354.189 4.267 50 0 FIAALN O=c1[nH]c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 ZINC000011990959 570603752 /nfs/dbraw/zinc/60/37/52/570603752.db2.gz PNBGMRLZLIRPAZ-UHFFFAOYSA-N 0 2 364.257 4.431 50 0 FIAALN CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000005235063 570638657 /nfs/dbraw/zinc/63/86/57/570638657.db2.gz AJFBXLKRQLKINN-UHFFFAOYSA-N 0 2 368.886 4.232 50 0 FIAALN Cc1nn(-c2ccc(C)cc2)c(C)c1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000032754975 570794306 /nfs/dbraw/zinc/79/43/06/570794306.db2.gz LPBSLKXJFXDNNQ-UHFFFAOYSA-N 0 2 369.490 4.215 50 0 FIAALN Cc1ccccc1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 ZINC000023172663 570958406 /nfs/dbraw/zinc/95/84/06/570958406.db2.gz BIDWALINCRETHZ-UHFFFAOYSA-N 0 2 372.471 4.110 50 0 FIAALN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)o1 ZINC000001428725 571074776 /nfs/dbraw/zinc/07/47/76/571074776.db2.gz DAKHMUKXJVMHLS-UHFFFAOYSA-N 0 2 354.840 4.166 50 0 FIAALN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc4c3CCCC4)s2)on1 ZINC000009228249 571101806 /nfs/dbraw/zinc/10/18/06/571101806.db2.gz GAPJYAOUQFDLQS-UHFFFAOYSA-N 0 2 374.487 4.391 50 0 FIAALN CCc1ccc(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)cc1 ZINC000009761341 571119013 /nfs/dbraw/zinc/11/90/13/571119013.db2.gz HWMJQGRYDJCJSR-UHFFFAOYSA-N 0 2 361.492 4.118 50 0 FIAALN CCOC(=O)c1cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2o1 ZINC000005903046 571167886 /nfs/dbraw/zinc/16/78/86/571167886.db2.gz MVCYRPPLVJBUCT-UHFFFAOYSA-N 0 2 350.326 4.089 50 0 biogenic FIAALN CCc1cccc(C)c1NS(=O)(=O)c1ccc(-c2cc(C)no2)s1 ZINC000006887789 571253302 /nfs/dbraw/zinc/25/33/02/571253302.db2.gz BZTQVZBJRNXVBV-UHFFFAOYSA-N 0 2 362.476 4.383 50 0 FIAALN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(Cl)cc1Cl ZINC000006706841 571276681 /nfs/dbraw/zinc/27/66/81/571276681.db2.gz PNXWPEDFOOLMCD-UHFFFAOYSA-N 0 2 351.642 4.151 50 0 FIAALN CSc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000007745922 571287838 /nfs/dbraw/zinc/28/78/38/571287838.db2.gz GMYUEKHGEPJIBF-UHFFFAOYSA-N 0 2 364.311 4.033 50 0 FIAALN O=S(=O)(Nc1cccc2ccc(O)cc21)c1ccc(Cl)cc1F ZINC000095431811 571329579 /nfs/dbraw/zinc/32/95/79/571329579.db2.gz OQIUTYFTDMHJAQ-UHFFFAOYSA-N 0 2 351.786 4.139 50 0 FIAALN CCOc1ccc2nc(NS(=O)(=O)c3ccc(CC)cc3)sc2c1 ZINC000001114076 219372890 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