smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1CCF 408716183 JRFQJNBLFHSQND-QMMMGPOBSA-N 298.767 2.095 70 40 CEIB COc1ccc(-c2csc(NC(C)=O)n2)cc1N 217691642 WNNDBSDWHKVRQC-UHFFFAOYSA-N 263.322 2.359 70 40 CEIB CC(C)Cn1ncc(S(=O)(=O)Cl)c1COC(C)C 408716403 MPTITMMHWZNSNM-UHFFFAOYSA-N 294.804 2.392 70 40 CEIB O=S(=O)(Cl)c1cc2c(cc1Br)OCO2 100594995 NVDQVTRUYIIQHM-UHFFFAOYSA-N 299.529 2.105 70 40 CEIB O=C(CSCc1ccccc1)N1CCc2ncncc2C1 217626513 MIJQUBRPDITSQW-UHFFFAOYSA-N 299.399 2.295 70 40 CEIB O=C(/C=C/c1ccoc1)NC[C@@H](O)Cc1ccccc1 217574049 XUHRMTXWRSZRBK-LFAOLKIESA-N 271.316 2.013 70 40 CEIB O=C(CS(=O)(=O)Cl)c1ccc(Br)cc1 100860483 NNDPOPPLOYAWHT-UHFFFAOYSA-N 297.557 2.200 70 40 CEIB Cc1nn(-c2ccc(S(=O)(=O)Cl)cc2)nc1Cl 100003739 MSYRHRZUFBSHMC-UHFFFAOYSA-N 292.147 2.157 70 40 CEIB C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 161161354 NAUQMMCJWXDYHS-SKDRFNHKSA-N 271.324 2.012 70 40 CEIB COC(=O)CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 159507913 WDOVOULOISHBJU-UHFFFAOYSA-N 295.644 2.262 70 40 CEIB C[C@](O)(CNC(=O)C1CC1)c1cc2ccccc2o1 217982682 WOMOUEZMGITHSU-HNNXBMFYSA-N 259.305 2.167 70 40 CEIB Cn1ncc(-c2ccccc2)c1S(=O)(=O)Cl 59340927 VFUOGCQSMPDREI-UHFFFAOYSA-N 256.714 2.015 70 40 CEIB NC(=O)c1cn(Cc2cccnc2)c2ccccc12 216947434 LRALTYMLLKKGMW-UHFFFAOYSA-N 251.289 2.184 70 40 CEIB O=C(O)c1cc(S(=O)(=O)F)c(Cl)cc1Cl 103525299 FANYQDYQQRFEDR-UHFFFAOYSA-N 273.068 2.350 70 40 CEIB COc1cccc(CCNc2nccn3c(C)nnc23)c1 218049340 ODEBPFKJDCYYHN-UHFFFAOYSA-N 283.335 2.096 70 40 CEIB Cc1nc(NC(=O)CC(C)C)sc1S(=O)(=O)Cl 103603685 RKZNNMFWQQYVFZ-UHFFFAOYSA-N 296.801 2.364 70 40 CEIB O=c1[nH]cc(Cl)c2ccc(S(=O)(=O)Cl)cc12 72399592 BKJUCAQGGKWKRQ-UHFFFAOYSA-N 278.116 2.109 70 40 CEIB in-vitro CCc1cnc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)s1 161279145 SHMAUCDJMFZLMJ-QMMMGPOBSA-N 293.396 2.490 70 40 CEIB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(C)C2)c1 216907132 SMUTXHNIMGKHNL-CYBMUJFWSA-N 290.363 2.062 70 40 CEIB CCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 216885067 OAJKVROWVQLQNR-UHFFFAOYSA-N 273.365 2.481 70 40 CEIB CCCOc1ccc(S(=O)(=O)Cl)cc1C#N 218291346 WUGWHLQWQUVFID-UHFFFAOYSA-N 259.714 2.275 70 40 CEIB Nn1c(SCc2ccccc2F)nnc1C(F)F 216901816 AKYFVQRJMQLUQP-UHFFFAOYSA-N 274.271 2.361 70 40 CEIB Cc1ccc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)c1 139287349 BTWJTPYMTHMXAD-UHFFFAOYSA-N 285.199 2.132 70 40 CEIB O=C(Nc1ccccc1)N[C@@H]1CCN(c2ccccn2)C1 159702846 LIBRSROXEOJNHV-CQSZACIVSA-N 282.347 2.482 70 40 CEIB O=S(=O)(Oc1cc(F)cc(F)c1)C(F)(F)F 114567841 XNGUXVDZXHPQTJ-UHFFFAOYSA-N 262.155 2.193 70 40 CEIB Cc1ccc(-c2cn[nH]c2S(=O)(=O)Cl)cc1 218815553 GISKJAXHRKMNCK-UHFFFAOYSA-N 256.714 2.313 70 40 CEIB Nn1c(SCc2ccccc2)nnc1C(F)F 216901607 ZUCPRISXDREWFI-UHFFFAOYSA-N 256.281 2.222 70 40 CEIB O=C(CC1CCCCC1)NCC[C@@H](O)C1CCOCC1 217914018 JGNGMMZPCGNIDR-OAHLLOKOSA-N 283.412 2.251 70 40 CEIB CC(=O)Nc1cc(F)c(S(=O)(=O)Cl)cc1Cl 100620836 VTXYDRYTXCIVHE-UHFFFAOYSA-N 286.111 2.365 70 40 CEIB in-vitro Cc1ccccc1-c1nnc([C@@H]2CCCN(C=O)C2)o1 216662403 ZRFYJOHOICJPSE-GFCCVEGCSA-N 271.320 2.381 70 40 CEIB CCCOCc1nn(C(C)C)cc1S(=O)(=O)Cl 408715527 VIWJKFOEMUGPPN-UHFFFAOYSA-N 280.777 2.318 70 40 CEIB CCC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1 72399600 XVZBXDNOPBGYTH-UHFFFAOYSA-N 262.714 2.215 70 40 CEIB in-vitro Cc1nc(Nc2ccccc2)cc(N2CCN(C)CC2)n1 216848208 NDSNAKUVUVIYCP-UHFFFAOYSA-N 283.379 2.280 70 40 CEIB CCOC(=O)c1cc(S(=O)(=O)Cl)c(Cl)nc1C 256053433 RLXBAALGJKWGQV-UHFFFAOYSA-N 298.147 2.148 70 40 CEIB CCOCc1c(S(=O)(=O)Cl)cnn1[C@@H](C)CC 408716572 OJORINCCXKUPHX-QMMMGPOBSA-N 280.777 2.318 70 40 CEIB CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(C)C2)cc1 216914268 RUZSDBPIQNMNOR-OAHLLOKOSA-N 290.407 2.432 70 40 CEIB CN1CCC(C(=O)NCCCSCc2ccco2)CC1 216923585 AERRLLHWASWYBJ-UHFFFAOYSA-N 296.436 2.361 70 40 CEIB Cc1ccc(Nc2cc(NCCN)nc(C)n2)cc1 217678138 HDBUPUQIKKJFLJ-UHFFFAOYSA-N 257.341 2.208 70 40 CEIB Cn1cc(C(=O)N2CCCC[C@H](c3ccccc3)C2)nn1 217288005 BLIOKSHDKWSFNC-AWEZNQCLSA-N 284.363 2.225 70 40 CEIB CCCn1cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cn1 161241972 UEUHDVDQPIDCAW-SNVBAGLBSA-N 290.371 2.077 70 40 CEIB CC(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 217902380 HZSTYFCNHNACEL-UHFFFAOYSA-N 273.336 2.051 70 40 CEIB CN1CCC[C@@H](C(=O)NCCCc2ccccc2)C1 216912707 HUXRUWVSXUGOGC-OAHLLOKOSA-N 260.381 2.077 70 40 CEIB Nn1c(SCc2ccc(F)cc2)nnc1C(F)F 216901716 XIOQKNHWVUGWBC-UHFFFAOYSA-N 274.271 2.361 70 40 CEIB CCOc1ccc2snnc2c1S(=O)(=O)Cl 218800897 IWQCKJYMJXBWNL-UHFFFAOYSA-N 278.742 2.018 70 40 CEIB O[C@@]12C[C@H]3C[C@@H](C1)C[C@](NCc1ccncc1)(C3)C2 217931781 DTGZCMNETDUCMR-SYMSYNOKSA-N 258.365 2.255 70 40 CEIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1OC(F)F 258837008 QWNQFXIUAPJBHB-UHFFFAOYSA-N 287.627 2.124 70 40 CEIB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1 216914507 QHFZUPMUQGPBSS-JSGCOSHPSA-N 276.380 2.214 70 40 CEIB CC(C)Oc1ccc(C(=O)O)cc1S(=O)(=O)Cl 59095895 XCZRAAMECBNCLE-UHFFFAOYSA-N 278.713 2.100 70 40 CEIB Cc1ccn(-c2ccc(S(=O)(=O)Cl)cc2C)n1 103695142 AEODFDIBUXCSIK-UHFFFAOYSA-N 270.741 2.417 70 40 CEIB COc1ccc(F)cc1OS(=O)(=O)C(F)(F)F 247901010 QOPAABGWSMYQTC-UHFFFAOYSA-N 274.191 2.063 70 40 CEIB O=C(C1CC1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217807130 MPDNZLWYWVHASQ-SNVBAGLBSA-N 275.352 2.138 70 40 CEIB CN1CCN(c2cc(Nc3ccc(F)cc3)ncn2)CC1 216846454 SKNGJXVJDNPPDV-UHFFFAOYSA-N 287.342 2.111 70 40 CEIB O=S(=O)(Cl)c1ccc(-c2cnns2)cc1 100648752 BMSKDPNQFMMHCA-UHFFFAOYSA-N 260.727 2.133 70 40 CEIB C[C@@H]1CC[C@@H]1COc1ccc(S(=O)(=O)Cl)cn1 256052478 NLVUUOXEQKMWIF-RKDXNWHRSA-N 275.757 2.434 70 40 CEIB O=C(Nc1cnn(CC2CCOCC2)c1)C1CCCC1 218205045 XKSITFARZMRGGW-UHFFFAOYSA-N 277.368 2.438 70 40 CEIB Cc1cc(S(=O)(=O)Cl)ccc1-n1cccn1 103695137 KYWWUQMASKTVDC-UHFFFAOYSA-N 256.714 2.108 70 40 CEIB CC(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 100517597 MSSDFXARSXTRSY-UHFFFAOYSA-N 268.121 2.226 70 40 CEIB O=C(CCl)NCc1nn(-c2ccccc2)c2c1CCC2 63860749 YXFBUPMCODNIAO-UHFFFAOYSA-N 289.766 2.216 70 40 CEIB O=S(=O)(Cl)c1ccc(Br)nc1Cl 97952708 IZKVJLUIKBYVBM-UHFFFAOYSA-N 290.953 2.425 70 40 CEIB N=C(N)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 217356915 UBVUFUYAELYADI-UHFFFAOYSA-N 265.744 2.128 70 40 CEIB CO[C@H](CNC(=O)c1ccno1)c1ccccc1Cl 218310937 XBHSNFCGPPRGMQ-GFCCVEGCSA-N 280.711 2.446 70 40 CEIB COc1ccc(OC(F)F)cc1S(=O)(=O)Cl 100102832 GKBGCCRDZZXVHV-UHFFFAOYSA-N 272.656 2.224 70 40 CEIB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CNC 161259651 XAVMBLCNHPHSNZ-HUUCEWRRSA-N 260.381 2.309 70 40 CEIB CCN(CC)C(=O)c1cccc(S(=O)(=O)Cl)c1 103475068 OHXZQFGZNSBRGH-UHFFFAOYSA-N 275.757 2.096 70 40 CEIB Cc1cc(C(=O)Cn2cnc(C(C)C)cc2=O)c(C)[nH]1 160872770 LRRWPMYNQMVCBB-UHFFFAOYSA-N 273.336 2.195 70 40 CEIB N[C@@H]1CCCC[C@H]1Oc1ccncc1Br 159994519 UDZPJMHWDFSWEJ-MWLCHTKSSA-N 271.158 2.493 70 40 CEIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1OCC1CC1 103694522 BQVLZOXCYKGKFO-UHFFFAOYSA-N 291.712 2.311 70 40 CEIB O=CN1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1 216662071 RILQICOZWDQFOU-SNVBAGLBSA-N 275.283 2.212 70 40 CEIB CCOC(=O)c1cc[nH]c(=O)c1OCc1ccccc1 218311067 RVNQOVXBMLPHLT-UHFFFAOYSA-N 273.288 2.131 70 40 CEIB CCOc1cccc(CNC(=O)[C@H]2CCCN(C)C2)c1 216914148 GPSUWGOYRQLEOR-AWEZNQCLSA-N 276.380 2.043 70 40 CEIB COC(=O)c1ccc(S(=O)(=O)Cl)c(Cl)c1 100611745 WNVARFWSYISQGK-UHFFFAOYSA-N 269.105 2.054 70 40 CEIB Cc1cc(Cl)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] 100439268 UFBPQLIMPZYGPU-UHFFFAOYSA-N 270.093 2.484 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)NC1CCCCC1 217949838 VQDOPPZMUDXYIR-AWEZNQCLSA-N 279.384 2.081 70 40 CEIB N=C(N)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 217358865 LQEUPXLAHCVXBG-JTQLQIEISA-N 265.744 2.128 70 40 CEIB COC(=O)CS[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 217552339 ICRKUBVEKIWHJX-SNVBAGLBSA-N 299.417 2.177 70 40 CEIB CCCOCc1c(S(=O)(=O)Cl)cnn1C(F)F 408717245 XJDNZGNVSORFLK-UHFFFAOYSA-N 288.703 2.132 70 40 CEIB COc1ccc(Cl)c(S(=O)(=O)Cl)c1F 103624799 NGYKBMVAUAFUPI-UHFFFAOYSA-N 259.085 2.415 70 40 CEIB COC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1F 59261982 HRDAGMMWOFQTLE-UHFFFAOYSA-N 287.095 2.193 70 40 CEIB CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)Cl)ccc21 101745748 XSLNOAMDYAKOMP-UHFFFAOYSA-N 287.768 2.258 70 40 CEIB O=C(/C=C/c1ccco1)NCCSC1CCOCC1 217699467 SIEKGNMMBLYHEK-ONEGZZNKSA-N 281.377 2.321 70 40 CEIB CC(=O)c1cc(S(=O)(=O)Cl)ccc1Cl 59079747 KADOGHSTYCELIY-UHFFFAOYSA-N 253.106 2.470 70 40 CEIB in-vitro CCN(CC)C(=O)c1ccc(S(=O)(=O)Cl)cc1 100565116 AHZIMJYCFKOYAH-UHFFFAOYSA-N 275.757 2.096 70 40 CEIB CN1CCN(c2cc(Nc3cccc(F)c3)ncn2)CC1 216846409 QDVMUTQCMLSGFN-UHFFFAOYSA-N 287.342 2.111 70 40 CEIB CN(C)C(=S)Oc1ccc(Cl)cc1S(=O)(=O)F 104162019 XPCCHVQZDPTVLH-UHFFFAOYSA-N 297.760 2.224 70 40 CEIB Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C)n(C)n1 161177129 HSXZBOCJZIXCOL-MRVPVSSYSA-N 276.340 2.466 70 40 CEIB CCO[C@H](COC)c1ccc(S(=O)(=O)Cl)cc1 103670542 KGEQOMHYDPJNSX-LLVKDONJSA-N 278.757 2.338 70 40 CEIB Cc1noc(C)c1CC(=O)Nc1ccn2nccc2c1 217957072 UZYPVQALFVWIJS-UHFFFAOYSA-N 270.292 2.120 70 40 CEIB O=c1c(S(=O)(=O)Cl)coc2cc(Cl)ccc12 79514144 HKPMBWAFMKFXPJ-UHFFFAOYSA-N 279.100 2.374 70 40 CEIB CC(C)C(=O)N(C)Cc1ccc(S(=O)(=O)Cl)cc1 103693765 KWPHOHCLCBRULC-UHFFFAOYSA-N 289.784 2.229 70 40 CEIB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(C)C2)c1 216907161 SMUTXHNIMGKHNL-ZDUSSCGKSA-N 290.363 2.062 70 40 CEIB N=C(N)CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 217755658 UTYXRXXDCBJVCY-UHFFFAOYSA-N 263.194 2.109 70 40 CEIB O=[S@@](c1cc(S(=O)(=O)F)ccc1F)C(F)(F)F 1776011151 AOISLOTWCFUHRG-INIZCTEOSA-N 294.222 2.111 70 40 CEIB CC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCOCC1 159658403 CBHUTBVIHPADHA-INIZCTEOSA-N 290.407 2.179 70 40 CEIB C[C@@](O)(CNC(=O)/C=C/c1ccoc1)c1cccs1 217581694 UQKLIPFMCMMOHY-ISZGNANSSA-N 277.345 2.378 70 40 CEIB CCOCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408716654 PFMUYBTUYQWZCT-UHFFFAOYSA-N 292.788 2.462 70 40 CEIB NC(=O)c1cn(C(=O)c2ccco2)c2ccccc12 216951537 GDHVEKLQNVGGED-UHFFFAOYSA-N 254.245 2.022 70 40 CEIB CCOCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715362 KXNFEEOWIBJJJH-UHFFFAOYSA-N 292.788 2.462 70 40 CEIB CCCCc1ccc2[n+](c1)C(C(=O)OCC)=PC2 73389995 XPRPJESLUUGWRK-UHFFFAOYSA-N 264.285 2.318 70 40 CEIB CC[C@H](C)n1ncc(Cl)c1S(=O)(=O)Cl 100804878 JKVQVXBDGFVEPA-YFKPBYRVSA-N 257.142 2.435 70 40 CEIB O=S(=O)(Cl)c1ccc(-c2csnn2)s1 95686733 YLMRFUGVQGEIMF-UHFFFAOYSA-N 266.756 2.194 70 40 CEIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C1CCC1 59106939 ULFMPAFJXRNOMJ-UHFFFAOYSA-N 273.741 2.353 70 40 CEIB CCOC(=O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1 110753734 NMGPGASVASGOBM-UHFFFAOYSA-N 288.752 2.209 70 40 CEIB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1 216910476 VBIPMXKLOBSNLC-GOEBONIOSA-N 274.408 2.466 70 40 CEIB O=C(NCCSC1CCOCC1)c1ccccc1F 217699577 PIXHFWIEDVBPMM-UHFFFAOYSA-N 283.368 2.468 70 40 CEIB C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)[B-](F)(F)F 199632869 IDWFSIXVGUMTPY-UHFFFAOYSA-N 293.118 2.482 70 40 CEIB in-vitro CCOc1c(F)ccc(S(=O)(=O)Cl)c1F 103624757 PMOSAZVHCWSWQB-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB O=C(NCCn1ccnc1-c1ccccn1)[C@@H]1CC=CCC1 217862284 CCDGTBMQWUHXAJ-CQSZACIVSA-N 296.374 2.418 70 40 CEIB Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1 100456414 BCAQNDAJTOAGEU-UHFFFAOYSA-N 294.307 2.179 70 40 CEIB CN1CCC(CC(=O)NCCSCc2ccco2)CC1 216893861 WZWXNTBLGQRTOT-UHFFFAOYSA-N 296.436 2.361 70 40 CEIB CCOCC(=O)Nc1sccc1-c1nc(C)no1 217647765 OGOYBQUURNUBHC-UHFFFAOYSA-N 267.310 2.082 70 40 CEIB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](S(=O)(=O)Cl)C2 584905865 QUAMALVDCVITHC-CIUDSAMLSA-N 295.788 2.095 70 40 CEIB O=C(COc1ccc(F)cc1)Nc1ccn2nccc2c1 217954720 DCBWJGDPIRRYLP-UHFFFAOYSA-N 285.278 2.491 70 40 CEIB CSc1ccc(S(=O)(=O)Cl)cc1NC(C)=O 225298283 CUCUFNQFSRHFLL-UHFFFAOYSA-N 279.770 2.294 70 40 CEIB Cc1nc(NC(=O)C(C)(C)C)sc1S(=O)(=O)Cl 103710478 BPWZMCBDOALHFW-UHFFFAOYSA-N 296.801 2.364 70 40 CEIB O=S(=O)(Cl)c1ccc(OCC2CCC2)nc1 110753849 PLLSJIGUDNOBAW-UHFFFAOYSA-N 261.730 2.188 70 40 CEIB COc1ccccc1-c1nnc([C@@H]2CCCN(C=O)C2)o1 216663045 KFMQKBSJBLLUQI-LLVKDONJSA-N 287.319 2.081 70 40 CEIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)cc1Cl 675050353 CSAHLXATMSKFAF-UHFFFAOYSA-N 274.056 2.315 70 40 CEIB COc1ccccc1-c1nnc([C@H]2CCCN(C=O)C2)o1 216663086 KFMQKBSJBLLUQI-NSHDSACASA-N 287.319 2.081 70 40 CEIB CC[C@H](C(=O)N1CC[C@@H](n2ccnn2)C1)c1ccccc1 217686381 AWQBFQVEZBPWRU-CABCVRRESA-N 284.363 2.245 70 40 CEIB N#CCOc1ccc(S(=O)(=O)Cl)cc1Cl 218310386 NDECVKIAYZDMFZ-UHFFFAOYSA-N 266.105 2.170 70 40 CEIB O=S(=O)(Cl)c1cc2c(cc1Cl)OCCO2 59094740 JRUIKHSXGKKVTK-UHFFFAOYSA-N 269.105 2.039 70 40 CEIB COc1cccc(-c2nnc([C@@H]3CCCN(C=O)C3)o2)c1 216663363 BWCRGWPSWPOYDS-GFCCVEGCSA-N 287.319 2.081 70 40 CEIB Cc1cccc(NC(=O)N(CCS(C)(=O)=O)C(C)C)c1 159718830 FSELKDKNBPKWIJ-UHFFFAOYSA-N 298.408 2.282 70 40 CEIB Cc1cc(F)ccc1OS(=O)(=O)C(F)(F)F 247849575 ULMLPECLUPNULG-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB CN1CCC(CC(=O)NCCSC(C)(C)C)CC1 216893912 GBMCQKMLYKVMEN-UHFFFAOYSA-N 272.458 2.366 70 40 CEIB CCNC(=O)NCCn1nc(-c2cccs2)cc1C 217875968 VPOVVNQVJDHDLH-UHFFFAOYSA-N 278.381 2.239 70 40 CEIB O=S(=O)(Cl)c1ccc(-n2cc(Cl)cn2)cc1 103694073 DRXRCVPZXKMCKG-UHFFFAOYSA-N 277.132 2.453 70 40 CEIB COc1ccc(SC)cc1S(=O)(=O)Cl 103703403 FZNIRDNTUFTKQD-UHFFFAOYSA-N 252.744 2.345 70 40 CEIB Cc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1 216845890 DKYMCRCTLXPRHM-UHFFFAOYSA-N 283.379 2.280 70 40 CEIB Cc1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1 247817217 DVBAKHAJCLDTHR-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB COc1cc(N)c(CC(=O)N2CCCCCC2)cc1OC 217671153 QRCGUEKDTSPMOG-UHFFFAOYSA-N 292.379 2.231 70 40 CEIB Cc1ccc(-c2cnn(C)c2S(=O)(=O)Cl)cc1 218815240 QKHRJQKKVPOVSL-UHFFFAOYSA-N 270.741 2.323 70 40 CEIB CC[C@H](NC(C)=O)c1ccc(S(=O)(=O)Cl)cc1 103635025 XJLBWVWCEHBOOK-NSHDSACASA-N 275.757 2.201 70 40 CEIB Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)F)c2)cc1 100454376 JZSWMAKCZILQGM-UHFFFAOYSA-N 294.307 2.179 70 40 CEIB CC(=O)Nc1cc(C)c(S(=O)(=O)Cl)c(C)c1 100507025 XQFBWESVEXROIM-UHFFFAOYSA-N 261.730 2.189 70 40 CEIB CCc1ccc(C(=O)NCC[C@@H](O)C2CCOCC2)cc1 217914621 QENYSXCQONKDKI-MRXNPFEDSA-N 291.391 2.156 70 40 CEIB CCCOCc1nn(CC(C)C)cc1S(=O)(=O)Cl 408715466 QJEXNYGUQRNIFB-UHFFFAOYSA-N 294.804 2.393 70 40 CEIB O=S(=O)(c1cccc(Cl)c1)N1CCc2oncc2C1 217694652 CWABFPCJOMZPDG-UHFFFAOYSA-N 298.751 2.075 70 40 CEIB COC(C)(C)CCOC(=O)Cc1cc(C)ccc1N 217782428 YJFKSPJSNDQYRK-UHFFFAOYSA-N 265.353 2.478 70 40 CEIB CCCCOCc1c(S(=O)(=O)Cl)cnn1CC 408716466 NKINHCDVJBRXCO-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C)n(C)n1 161177252 HSXZBOCJZIXCOL-QMMMGPOBSA-N 276.340 2.466 70 40 CEIB COc1ccc(OS(=O)(=O)C(F)(F)F)cc1F 248139417 OYXBWEJFBZZSFP-UHFFFAOYSA-N 274.191 2.063 70 40 CEIB CC(C)c1nn(C)c(Cl)c1S(=O)(=O)Cl 127755086 MPDFHUKYTJGTSW-UHFFFAOYSA-N 257.142 2.124 70 40 CEIB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Cl 100599651 CUGUQVAAJSUEQA-UHFFFAOYSA-N 273.741 2.049 70 40 CEIB Cc1ccc(-c2nnc([C@H]3CCCN(C=O)C3)o2)cc1 216662772 UDHURQVSVPYGGZ-ZDUSSCGKSA-N 271.320 2.381 70 40 CEIB O=C(NCCSC1CCOCC1)c1cc(C2CC2)on1 217703030 OALZSNKVNRWDGU-UHFFFAOYSA-N 296.392 2.194 70 40 CEIB Fc1ccc(Cn2cc([C@H]3OCCS3)nn2)cc1 216749994 URMDKOSZAWQKMN-LBPRGKRZSA-N 265.313 2.228 70 40 CEIB COc1cc(S(=O)(=O)Cl)ccc1-n1ccc(C)n1 103695110 OYUBQJNMMVXCME-UHFFFAOYSA-N 286.740 2.117 70 40 CEIB O=S(=O)(c1ccccc1Cl)N1CCc2oncc2C1 217694759 AHTJACNVOUJZEL-UHFFFAOYSA-N 298.751 2.075 70 40 CEIB Cc1ccc(Cl)cc1S(=O)(=O)Nc1nncs1 160587346 ZMVOLSMLXRBDBY-UHFFFAOYSA-N 289.769 2.301 70 40 CEIB Cc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 216845932 GOKXOVOPWYBWPH-UHFFFAOYSA-N 283.379 2.280 70 40 CEIB C[C@@H]1CCC[C@@H](C)N1CCCS(=O)(=O)Cl 110752837 ISLYXOZWEZAACU-NXEZZACHSA-N 253.795 2.208 70 40 CEIB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(C)C2)cc1 216916158 HSZZLTMVWKNHSN-HNNXBMFYSA-N 260.381 2.295 70 40 CEIB CCC(=O)NCCn1nc(-c2cccs2)cc1C 217872995 RTWGCTJRMCTHNV-UHFFFAOYSA-N 263.366 2.446 70 40 CEIB CCCn1cc(-c2nc(O)cc(CCCOC)n2)cn1 217789833 DJZCDFMQUGYVCE-UHFFFAOYSA-N 276.340 2.035 70 40 CEIB CCCCOCc1nn(CC)cc1S(=O)(=O)Cl 408715508 UKRGCIQKPMSKPT-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB C[C@H](Oc1ccccc1)C(=O)NCCC1CCN(C)CC1 217031755 FFCLEJIEOKBPTF-AWEZNQCLSA-N 290.407 2.302 70 40 CEIB CCn1nc(C)c(S(=O)(=O)Cl)c1C(F)F 408717364 YWLJZFRNFIPOHH-UHFFFAOYSA-N 258.677 2.077 70 40 CEIB CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1CC 408716742 QKUBCHMUBJFRHV-MRVPVSSYSA-N 280.777 2.146 70 40 CEIB CCCOc1nn(C)c2ccc(S(=O)(=O)Cl)cc12 225773921 VHFDKBWFBDXHKY-UHFFFAOYSA-N 288.756 2.290 70 40 CEIB CCS(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217510602 CAMWKOMREKFFFV-CYBMUJFWSA-N 299.417 2.048 70 40 CEIB Cc1nc(Br)ccc1S(=O)(=O)Cl 106973467 KIOBVOZFHKPRJV-UHFFFAOYSA-N 270.535 2.080 70 40 CEIB COC(=O)c1ccc(S(=O)(=O)Cl)cc1Cl 59702425 OFLIXGSTZSJGRB-UHFFFAOYSA-N 269.105 2.054 70 40 CEIB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1 216914480 QHFZUPMUQGPBSS-OCCSQVGLSA-N 276.380 2.214 70 40 CEIB CCOCC(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217497497 QTWXLARBWGZPDU-OAHLLOKOSA-N 293.388 2.262 70 40 CEIB O=S(=O)(Cl)c1cc(Br)cs1 100036719 IMVRMHNCGCAEES-UHFFFAOYSA-N 261.549 2.438 70 40 CEIB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccoc1 217869750 OWKSIMRGKKMDEJ-UHFFFAOYSA-N 296.330 2.277 70 40 CEIB CCOc1cc(S(=O)(=O)Cl)ccc1-n1cccn1 103695130 GCGJZXNNKNTFKE-UHFFFAOYSA-N 286.740 2.199 70 40 CEIB O=S(=O)(Cl)c1ccc(Oc2cnccn2)cc1 219480471 PXAFYXCJWHVVQU-UHFFFAOYSA-N 270.697 2.196 70 40 CEIB CCCCn1ncc(S(=O)(=O)Cl)c1Cl 103711911 BGCCVSXVJDPDDN-UHFFFAOYSA-N 257.142 2.264 70 40 CEIB O=CN1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1 216662116 RILQICOZWDQFOU-JTQLQIEISA-N 275.283 2.212 70 40 CEIB CCCc1nc(-c2ccc(S(=O)(=O)Cl)o2)no1 100004419 NGXNELDTQGORNQ-UHFFFAOYSA-N 276.701 2.210 70 40 CEIB Cn1cc(C(=O)N2CCCC[C@@H](c3ccccc3)C2)nn1 217288007 BLIOKSHDKWSFNC-CQSZACIVSA-N 284.363 2.225 70 40 CEIB C[C@@H]1Sc2ccc(S(=O)(=O)Cl)cc2NC1=O 100104680 MDEZAGFTZGYCQS-YFKPBYRVSA-N 277.754 2.047 70 40 CEIB O=S(=O)(Cl)c1ccc(F)cc1-c1ncco1 218801211 BVFCBBROACVXKF-UHFFFAOYSA-N 261.661 2.408 70 40 CEIB CC(C)Cn1ncc(Cl)c1S(=O)(=O)Cl 100804873 ZPTUXEQBVSWCEZ-UHFFFAOYSA-N 257.142 2.120 70 40 CEIB COc1ccc(-c2nnc([C@@H]3CCCN(C=O)C3)o2)cc1 216663686 DTBXVFVDUBPAFL-GFCCVEGCSA-N 287.319 2.081 70 40 CEIB CCOCCOc1ccc(S(=O)(=O)Cl)cc1 100596599 KJPYBXNRJJZNRP-UHFFFAOYSA-N 264.730 2.029 70 40 CEIB CCOc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C 97942996 OJHDEZVEKJKIBR-UHFFFAOYSA-N 278.713 2.019 70 40 CEIB CC(C)Oc1ccc(S(=O)(=O)Cl)cc1C(=O)O 59095886 KGTHAYPMZGTLSM-UHFFFAOYSA-N 278.713 2.100 70 40 CEIB COc1cccc(-c2oncc2S(=O)(=O)Cl)c1 97952702 ADATWBAJKIMBQF-UHFFFAOYSA-N 273.697 2.278 70 40 CEIB Cn1nc(-c2ccccc2)cc1S(=O)(=O)Cl 100804950 DSRAAWGTLMPNTC-UHFFFAOYSA-N 256.714 2.015 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)Nc1cccs1 217949538 DFMROFMNZYZQLA-LLVKDONJSA-N 279.365 2.332 70 40 CEIB Cc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216917517 AORCLLPVKYNSPA-LSDHHAIUSA-N 290.407 2.220 70 40 CEIB COc1cc(S(=O)(=O)Cl)c(F)cc1Cl 117591546 LJJKNXDUARKHSK-UHFFFAOYSA-N 259.085 2.415 70 40 CEIB O=C(NCC[C@@H](O)c1ccsc1)c1cc(C2CC2)on1 217533552 HZFXJNJGEMLBHD-GFCCVEGCSA-N 292.360 2.467 70 40 CEIB Clc1cccc(Cn2cc(C3OCCO3)nn2)c1 216748233 LLOBTZYUOVYICG-UHFFFAOYSA-N 265.700 2.025 70 40 CEIB O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)F 103623976 GCDXWZPDZBWMJA-UHFFFAOYSA-N 252.082 2.076 70 40 CEIB COc1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1 216750624 PUYWKVZBQWPLPJ-CYBMUJFWSA-N 277.349 2.097 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)NC1CCCCC1 217949750 VQDOPPZMUDXYIR-CQSZACIVSA-N 279.384 2.081 70 40 CEIB O=CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 216639528 MQLTUBDJSHBVBC-UHFFFAOYSA-N 275.283 2.212 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)Nc1ccccc1 217949333 XDAOJGNVYCXBCT-CQSZACIVSA-N 273.336 2.270 70 40 CEIB [N-]=[N+]=NC(=O)N[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 2087110513 PUZMYGTWHLWXJJ-LURJTMIESA-N 281.222 2.090 70 40 CEIB CCOC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1 59233868 MBXNHYWLMGGEIV-UHFFFAOYSA-N 262.714 2.099 70 40 CEIB CCNC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1 95698098 OGKOSXOXZKYWLO-UHFFFAOYSA-N 276.745 2.064 70 40 CEIB CCCOCc1c(S(=O)(=O)Cl)cnn1CCC 408715794 DTXNAEFQUQUSFW-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB CCCn1ncc(S(=O)(=O)Cl)c1COC(C)C 408716553 OEZOVVLTLYIPGP-UHFFFAOYSA-N 280.777 2.146 70 40 CEIB O=C(CBr)c1cccc(S(=O)(=O)Cl)c1 95698363 PEELKXBLIYKZHI-UHFFFAOYSA-N 297.557 2.192 70 40 CEIB O=S(=O)(Cl)c1ccc(-c2noc(C3CC3)n2)o1 100003512 KBOBVMFUABIERE-UHFFFAOYSA-N 274.685 2.135 70 40 CEIB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1C1CCCCC1 217343072 WHJMBGAIWZFFGZ-YXJLRHLOSA-N 271.360 2.372 70 40 CEIB CCOC(=O)/C=C/c1cccc(S(=O)(=O)Cl)c1 59803972 KEUCZFOLYFRYTK-VOTSOKGWSA-N 274.725 2.190 70 40 CEIB in-vitro Cc1cc(F)c(S(=O)(=O)Cl)cc1C(=O)Cl 159132892 LHGAFIRKIARBCN-UHFFFAOYSA-N 271.096 2.441 70 40 CEIB Cc1[nH]c2ccccc2c(=O)c1CCC(=O)NC(C)C 217431799 UDVATXGOXZFTEJ-UHFFFAOYSA-N 272.348 2.294 70 40 CEIB CCCCCn1cc(S(=O)(=O)Cl)c(C)n1 103635862 BTFXPLSECUQPMS-UHFFFAOYSA-N 250.751 2.309 70 40 CEIB CCOCc1nn([C@@H](C)CC)cc1S(=O)(=O)Cl 408715203 FOWMGZJWBBTMGG-QMMMGPOBSA-N 280.777 2.318 70 40 CEIB Cc1ccccc1Cn1cc([C@@H]2OCCS2)nn1 216749148 MEBJVQPBGFXETF-CYBMUJFWSA-N 261.350 2.397 70 40 CEIB CCOc1cccc(CNC(=O)[C@@H]2CCCN(C)C2)c1 216914121 GPSUWGOYRQLEOR-CQSZACIVSA-N 276.380 2.043 70 40 CEIB CC[C@@H](C)n1ncc(Cl)c1S(=O)(=O)Cl 100804877 JKVQVXBDGFVEPA-RXMQYKEDSA-N 257.142 2.435 70 40 CEIB CN(C)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1 110166592 LNZVZVCEWXTEGS-UHFFFAOYSA-N 297.163 2.361 70 40 CEIB O=C(/C=C/c1ccoc1)NC[C@H](O)c1ccc2c(c1)CCO2 217585543 JUCJPJWBTUWGLL-AWXVTKJVSA-N 299.326 2.078 70 40 CEIB O=C(O)c1cccc2c(S(=O)(=O)Cl)cccc12 59320305 ZJQPQFZJWKJWEK-UHFFFAOYSA-N 270.693 2.466 70 40 CEIB O=S(=O)(Cl)c1ccc2nc(Cl)[nH]c2c1 100140581 WODMMLHYNJMLBJ-UHFFFAOYSA-N 251.094 2.144 70 40 CEIB O=S(=O)(Cl)c1cnoc1-c1cccc(F)c1 97952697 HMYYOMLBJKTSCJ-UHFFFAOYSA-N 261.661 2.408 70 40 CEIB O=C(c1cc(S(=O)(=O)Cl)ccc1F)C(F)(F)F 143693293 LYGYKLGLBUPJIN-UHFFFAOYSA-N 290.621 2.498 70 40 CEIB Cc1nn(C(C)C)c(S(=O)(=O)Cl)c1Cl 100804768 SJJRGEHWYPPOIZ-UHFFFAOYSA-N 257.142 2.353 70 40 CEIB CC(=O)Cc1ccc(Cl)c(S(=O)(=O)Cl)c1 100017916 QOOVTTWBAKLLPL-UHFFFAOYSA-N 267.133 2.399 70 40 CEIB Cc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1 216922009 HDTAHJFKDVFQDB-UHFFFAOYSA-N 274.408 2.386 70 40 CEIB CCCn1cc(S(=O)(=O)Cl)c(COC(C)C)n1 408715439 OEYIWHGCCLOQDD-UHFFFAOYSA-N 280.777 2.146 70 40 CEIB CN1CCC[C@H](C(=O)NCCCOC2CCCCC2)C1 216917122 LAUJSRIOMYJZIN-AWEZNQCLSA-N 282.428 2.184 70 40 CEIB CC[C@H](N)C(=O)N1CCc2ccc(Br)cc21 159995422 QYFRWOHBSRJFOJ-JTQLQIEISA-N 283.169 2.076 70 40 CEIB CCCOCc1nn(C(F)F)cc1S(=O)(=O)Cl 408715647 YQOYXEOJESPXCF-UHFFFAOYSA-N 288.703 2.132 70 40 CEIB O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)F 97957396 MBRMSYINDYKBAT-UHFFFAOYSA-N 268.537 2.345 70 40 CEIB Cc1nc(CCc2ccc(S(=O)(=O)Cl)cc2)no1 226106682 ZERGVYDDNYFLRQ-UHFFFAOYSA-N 286.740 2.091 70 40 CEIB C[C@H]1C[C@@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 161161468 NAUQMMCJWXDYHS-CABZTGNLSA-N 271.324 2.012 70 40 CEIB Cc1ccc(C)c(C(=O)NCC[C@@H](O)C2CCOCC2)c1 217915005 OEJAKBGQTJMXMD-MRXNPFEDSA-N 291.391 2.211 70 40 CEIB O=S(=O)(Cl)c1ccc(OCC(F)F)cc1 100481846 OTPFSWUWXDFRML-UHFFFAOYSA-N 256.657 2.258 70 40 CEIB Clc1ccccc1Cn1cc(C2OCCO2)nn1 216748169 XDNMWBRYMCRMHD-UHFFFAOYSA-N 265.700 2.025 70 40 CEIB O=S(=O)(OCC(Cl)(Cl)Cl)C(F)(F)F 114984063 IJUHGAPHHHTBAH-UHFFFAOYSA-N 281.466 2.223 70 40 CEIB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CNC 161259534 XAVMBLCNHPHSNZ-GJZGRUSLSA-N 260.381 2.309 70 40 CEIB CCCCOC(=O)Cc1cc(OC)c(OC)cc1N 217675549 MTTXRZSMPHRKJI-UHFFFAOYSA-N 267.325 2.172 70 40 CEIB O=C(NCCn1ccnc1-c1ccccn1)c1ccccc1 217857985 VYVQPXVDPAZGRV-UHFFFAOYSA-N 292.342 2.375 70 40 CEIB O=C(CS(=O)(=O)Cl)c1ccccc1Br 217519266 WQVGHBMTFKJDHC-UHFFFAOYSA-N 297.557 2.200 70 40 CEIB CC(C)NC(=O)NC[C@](C)(O)c1cc2ccccc2o1 218003950 RAOAIZHWAMEPFD-HNNXBMFYSA-N 276.336 2.348 70 40 CEIB O=S(=O)(Oc1cccc2ccncc12)C(F)(F)F 100184404 MWALAZWDGYMEJY-UHFFFAOYSA-N 277.223 2.463 70 40 CEIB in-vitro CC[C@@H](C)OCc1c(S(=O)(=O)Cl)cnn1CCF 408716182 JRFQJNBLFHSQND-MRVPVSSYSA-N 298.767 2.095 70 40 CEIB N=C(N)CC(=O)NC(c1ccccc1)c1ccccc1 217753409 RKOPXNILHTZLNC-UHFFFAOYSA-N 267.332 2.218 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)CCc1ccccc1 217932627 AQVNVVTUDYYLKU-MRXNPFEDSA-N 286.375 2.198 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)C1CCCCC1 217931707 RRUQJXVQWKDOCB-CQSZACIVSA-N 264.369 2.145 70 40 CEIB Cc1ccccc1CSCC(=O)NC1CCN(C)CC1 216928328 OPEHQVBBPKMGPO-UHFFFAOYSA-N 292.448 2.439 70 40 CEIB CCCn1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cn1 161241847 UEUHDVDQPIDCAW-JTQLQIEISA-N 290.371 2.077 70 40 CEIB Cc1oncc1NC(=O)C[C@@H]1CSCCS1 161031038 NLKVTJYSFTYMRW-MRVPVSSYSA-N 258.368 2.160 70 40 CEIB O=S(=O)(Cl)c1[nH]ncc1-c1ccc(F)cc1 218815659 ZWJUTESAWVRWPV-UHFFFAOYSA-N 260.677 2.143 70 40 CEIB O=S(=O)(CCc1ccccc1)N1[C@H]2C=CC[C@H]1CC2 218757352 UGUNGIRYPSZCSU-GJZGRUSLSA-N 277.389 2.352 70 40 CEIB COC(=O)CS[C@H]1CCN(C(=O)c2ccccc2C)C1 217551481 YNWZESVJGUQATI-LBPRGKRZSA-N 293.388 2.116 70 40 CEIB CCCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O 59095880 KFKDVIQMWQLFHH-UHFFFAOYSA-N 292.740 2.491 70 40 CEIB CN1CCC[C@H](C(=O)NCCCc2ccccc2)C1 216912736 HUXRUWVSXUGOGC-HNNXBMFYSA-N 260.381 2.077 70 40 CEIB CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1C 216842833 SWMLTMPJTDNCOZ-UHFFFAOYSA-N 276.380 2.218 70 40 CEIB C[C@@H]1CC[C@H]1COc1ccc(S(=O)(=O)Cl)cn1 256052475 NLVUUOXEQKMWIF-BDAKNGLRSA-N 275.757 2.434 70 40 CEIB CC[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(C)C1 216912577 HHRJHJBCZLZZHN-CVEARBPZSA-N 295.471 2.099 70 40 CEIB CC(=O)N[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C 252479988 BRGJCZMENYOOGM-LBPRGKRZSA-N 289.784 2.447 70 40 CEIB O=C(Nc1cnn(CC2CCOCC2)c1)NC1CCCC1 218238464 XNNQPEDNXZAYBX-UHFFFAOYSA-N 292.383 2.374 70 40 CEIB Cc1nc(S(=O)(=O)Cl)c(C#N)c(C)c1Cl 98008934 PTUUHGLHXOXWGB-UHFFFAOYSA-N 265.121 2.151 70 40 CEIB COC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1 105382370 OXQGWFWJIWBQMC-UHFFFAOYSA-N 263.702 2.101 70 40 CEIB CC(C)OCc1c(S(=O)(=O)Cl)cnn1C(F)F 408716340 LTCZASQNJQFYTE-UHFFFAOYSA-N 288.703 2.131 70 40 CEIB COc1ccc(S(=O)(=O)Cl)cc1NC(=O)C(C)C 59095502 GVNUGOOHELWCIL-UHFFFAOYSA-N 291.756 2.217 70 40 CEIB C[C@@H]1C[C@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 161161561 NAUQMMCJWXDYHS-BXKDBHETSA-N 271.324 2.012 70 40 CEIB CCOCc1nn(CC(C)C)cc1S(=O)(=O)Cl 408715318 IGPSLAUKUZFYHC-UHFFFAOYSA-N 280.777 2.003 70 40 CEIB COCc1c(S(=O)(=O)Cl)cnn1C1CCCC1 408716960 TZMZIGHWYROFPH-UHFFFAOYSA-N 278.761 2.072 70 40 CEIB CN1CCN(c2cc(Nc3ccccc3F)ncn2)CC1 216846368 SUJBBVKIMDSYPF-UHFFFAOYSA-N 287.342 2.111 70 40 CEIB COc1cccc(-c2nnc([C@H]3CCCN(C=O)C3)o2)c1 216663405 BWCRGWPSWPOYDS-LBPRGKRZSA-N 287.319 2.081 70 40 CEIB Cc1csc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 218080701 KBJVXSPZNZACMO-GFCCVEGCSA-N 287.388 2.460 70 40 CEIB CCOCc1c(S(=O)(=O)Cl)cnn1[C@H](C)CC 408716571 OJORINCCXKUPHX-MRVPVSSYSA-N 280.777 2.318 70 40 CEIB COCCCc1cc(O)nc(CC2CCCC2)n1 217787809 SSVWSWPPXLKHSU-UHFFFAOYSA-N 250.342 2.494 70 40 CEIB Cc1nc(Nc2ccc(F)cc2)cc(N2CCNCC2)n1 217678452 ZRHAOZNOEGDVIJ-UHFFFAOYSA-N 287.342 2.077 70 40 CEIB O=S(=O)(Cl)CCCOc1ccc(F)cc1 100492086 GVJJIQVNWOGRNL-UHFFFAOYSA-N 252.694 2.163 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)/C=C/c1ccccc1 217932524 HUGZMRJRQHLJIJ-SCOAYWHSSA-N 284.359 2.278 70 40 CEIB CC(=O)Nc1c(C)cc(S(=O)(=O)Cl)cc1C 98047009 FEHZPHPLDGHTPM-UHFFFAOYSA-N 261.730 2.189 70 40 CEIB C=C(C)CN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21 218748916 ZSYJTHOKFDILAL-UHFFFAOYSA-N 299.779 2.469 70 40 CEIB CCOCc1nn([C@H](C)CC)cc1S(=O)(=O)Cl 408715202 FOWMGZJWBBTMGG-MRVPVSSYSA-N 280.777 2.318 70 40 CEIB Cc1cccc(CCCNC(=O)C2CCN(C)CC2)c1 216922046 FAVBHNQTKZBNIE-UHFFFAOYSA-N 274.408 2.386 70 40 CEIB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Cl 100446104 BABZCNCBFPIBSP-UHFFFAOYSA-N 270.093 2.484 70 40 CEIB CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Cl 100596583 NWQCKMOKXUESDU-UHFFFAOYSA-N 289.784 2.486 70 40 CEIB O=S(=O)(Cl)c1cccnc1OCC1CCC1 256053021 PRKJCPNWFBJWQB-UHFFFAOYSA-N 261.730 2.188 70 40 CEIB CCCOc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 103693217 CQGWLSFPXAYKQM-UHFFFAOYSA-N 279.701 2.311 70 40 CEIB O=C(NCCn1ccnc1-c1ccccn1)[C@H]1CC=CCC1 217862207 CCDGTBMQWUHXAJ-AWEZNQCLSA-N 296.374 2.418 70 40 CEIB O=C(NCCn1ccc(-c2ccsc2)n1)c1cccnc1 217886532 WBKCKBSNDWRDPH-UHFFFAOYSA-N 298.371 2.437 70 40 CEIB CC(C)(C)CC(=O)Nc1ncc(S(=O)(=O)Cl)s1 110749486 VHIQTHKABFIQFJ-UHFFFAOYSA-N 296.801 2.445 70 40 CEIB O=S(=O)(Oc1c(F)cccc1F)C(F)(F)F 220576127 HRGHYCKIJARCID-UHFFFAOYSA-N 262.155 2.193 70 40 CEIB CCn1ncc(S(=O)(=O)Cl)c1COCC(C)C 408716751 QNOXVRZXCLCXGD-UHFFFAOYSA-N 280.777 2.003 70 40 CEIB CCCOC(=O)c1ccc(S(=O)(=O)Cl)cc1 100531223 XBTYFDSZELIUFF-UHFFFAOYSA-N 262.714 2.181 70 40 CEIB O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Cl)ccc21 103604294 WQBGWBNLOMLQJE-UHFFFAOYSA-N 299.779 2.303 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)CCc1ccccc1 217932711 AQVNVVTUDYYLKU-INIZCTEOSA-N 286.375 2.198 70 40 CEIB O=C(NCC[C@H](O)c1ccsc1)c1cc(C2CC2)on1 217533612 HZFXJNJGEMLBHD-LBPRGKRZSA-N 292.360 2.467 70 40 CEIB Cc1ccccc1-c1nnc([C@H]2CCCN(C=O)C2)o1 216662451 ZRFYJOHOICJPSE-LBPRGKRZSA-N 271.320 2.381 70 40 CEIB Cn1cc(-c2ccc(S(=O)(=O)Cl)cc2)cn1 100383489 QAUCTDBYRKXERD-UHFFFAOYSA-N 256.714 2.015 70 40 CEIB COc1ccccc1C(=O)NCCC1CCN(C)CC1 216931110 WOMJFZLRMFPHDF-UHFFFAOYSA-N 276.380 2.157 70 40 CEIB Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 100454354 OOCYRKMVGANPPX-UHFFFAOYSA-N 294.307 2.179 70 40 CEIB CC(=O)N[C@@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C 252479987 BRGJCZMENYOOGM-GFCCVEGCSA-N 289.784 2.447 70 40 CEIB Fc1ccccc1Cn1cc([C@H]2OCCS2)nn1 216749875 NXGJFWKATAXQJW-LBPRGKRZSA-N 265.313 2.228 70 40 CEIB COc1cccc(-c2nnc(C3CCN(C=O)CC3)o2)c1 216640515 JSJHGJQHTWYVAX-UHFFFAOYSA-N 287.319 2.081 70 40 CEIB O=C(OCc1ccccc1)On1nnc2ccccc21 137463075 UARDXIXWKAZPPS-UHFFFAOYSA-N 269.260 2.197 70 40 CEIB CC(C)(Cc1ccc(S(=O)(=O)Cl)cc1)C(=O)O 97947784 YSILVATURWPANH-UHFFFAOYSA-N 276.741 2.267 70 40 CEIB O=S(=O)(Cl)c1ccc(OC(F)F)c(F)c1 100559153 PABHZYCQTUFWJU-UHFFFAOYSA-N 260.620 2.355 70 40 CEIB in-vitro C[C@H](C(=O)O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587259 NHVNEQGTEVFGPL-LURJTMIESA-N 298.238 2.103 70 40 CEIB O=S(=O)(Cl)c1c[nH]c2nccc(Cl)c12 100463856 HYGHMJICOVYYMK-UHFFFAOYSA-N 251.094 2.144 70 40 CEIB in-vitro O=C(NCC[C@H](O)c1ccsc1)c1ccoc1 217534458 IVTITGLTULEPGQ-NSHDSACASA-N 251.307 2.195 70 40 CEIB O=C1c2ccc(S(=O)(=O)Cl)cc2CC[C@@H]1Cl 100607740 XEYCMXXVBYGLFJ-VIFPVBQESA-N 279.144 2.350 70 40 CEIB in-vitro O=C(NCCn1ccnc1-c1ccccn1)c1cccs1 217860161 IJHMGQFVAVQSHA-UHFFFAOYSA-N 298.371 2.437 70 40 CEIB O=C1c2ccc(S(=O)(=O)Cl)cc2CC[C@H]1Cl 100607742 XEYCMXXVBYGLFJ-SECBINFHSA-N 279.144 2.350 70 40 CEIB in-vitro CC(C)Cn1cc(S(=O)(=O)Cl)c(COC(C)C)n1 408715128 ATZLCVYCQOMYRW-UHFFFAOYSA-N 294.804 2.392 70 40 CEIB Cc1ccc(C(=O)CCNC2(C(N)=O)CCCCC2)cc1 160658293 WHKQFVLQCMLUGR-UHFFFAOYSA-N 288.391 2.346 70 40 CEIB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(C)C1 216912549 HHRJHJBCZLZZHN-HZPDHXFCSA-N 295.471 2.099 70 40 CEIB O=S(=O)(Cl)c1cc(Br)ccc1O 115283632 IVDBOZWASCNFKJ-UHFFFAOYSA-N 271.519 2.082 70 40 CEIB CCCCn1ncc(S(=O)(=O)Cl)c1COCC 408716887 SFKAICDHSRIKJI-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB Cc1ccc(CN(C)C(=O)C2CCN(C)CC2)cc1 216923360 DYHIXLLTBJDJDF-UHFFFAOYSA-N 260.381 2.295 70 40 CEIB O=C(Cc1ccc(F)cc1)N1CC(Oc2nccs2)C1 218766570 HWDAKGRWBCDFGZ-UHFFFAOYSA-N 292.335 2.115 70 40 CEIB CC(C)(C)C(=O)Nc1ncc(S(=O)(=O)Cl)s1 110749461 ZISJYUKSBSDWQZ-UHFFFAOYSA-N 282.774 2.055 70 40 CEIB FC(F)(F)c1cccc(Cn2cc(C3OCCO3)nn2)c1 216748971 VMQPMEAVGYQSKS-UHFFFAOYSA-N 299.252 2.391 70 40 CEIB COc1ccccc1-c1oncc1S(=O)(=O)Cl 97952701 UFHNPDXTJJSHAU-UHFFFAOYSA-N 273.697 2.278 70 40 CEIB O=S(=O)(Cl)c1cnoc1-c1ccc(F)cc1 97952698 KKIZPRXQNWVPNF-UHFFFAOYSA-N 261.661 2.408 70 40 CEIB COc1ccc(CCCNC(=O)[C@@H]2CCCN(C)C2)cc1 216912311 QDJXFUNBJKBHAU-OAHLLOKOSA-N 290.407 2.086 70 40 CEIB Cc1nn(CC(C)C)c(S(=O)(=O)Cl)c1Cl 100804773 DXJHQYWTDRUBDH-UHFFFAOYSA-N 271.169 2.428 70 40 CEIB CCCNC(=O)NCCn1ccc(-c2ccsc2)n1 217891326 FNUJISGGAZBRHM-UHFFFAOYSA-N 278.381 2.321 70 40 CEIB COC(=O)C1(c2ccc(S(=O)(=O)Cl)cc2)CCC1 1848351038 HWIDDAVAPMJXDU-UHFFFAOYSA-N 288.752 2.209 70 40 CEIB COc1cccc(F)c1OS(=O)(=O)C(F)(F)F 247868332 CACLUQKGWKFLGH-UHFFFAOYSA-N 274.191 2.063 70 40 CEIB Cc1cc(C(=O)NCC[C@@H](O)c2cccn2C)c(C)o1 217931956 UQILLWFGCLCSIU-CQSZACIVSA-N 276.336 2.088 70 40 CEIB O=S(=O)(Nc1nncs1)c1ccc2c(c1)CCCC2 160583014 KLTFYCHPGXJIAH-UHFFFAOYSA-N 295.389 2.218 70 40 CEIB Cn1ccnc1CN1CCC[C@H](c2nccs2)C1 160892231 ZKCXGSZJHMBION-NSHDSACASA-N 262.382 2.256 70 40 CEIB CCCNC(=O)CCc1c(C)[nH]c2ccccc2c1=O 217432349 BFAWYVSOKWKIOA-UHFFFAOYSA-N 272.348 2.295 70 40 CEIB CC(C)Cn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 103693254 WTAQFWCGTKUYMG-UHFFFAOYSA-N 289.740 2.178 70 40 CEIB COCCCc1cc(O)nc(-c2cnn(C(C)C)c2)n1 217789724 VYAQUSYZXMULPM-UHFFFAOYSA-N 276.340 2.206 70 40 CEIB O=C(C1CC1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217807213 MPDNZLWYWVHASQ-JTQLQIEISA-N 275.352 2.138 70 40 CEIB COc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1 216922810 HTWLTVUFOMWWKE-GFCCVEGCSA-N 276.380 2.214 70 40 CEIB CCOc1ccccc1CNC(=O)[C@H]1CCCN(C)C1 216914219 FBMZOCULLIHVLO-AWEZNQCLSA-N 276.380 2.043 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)c1ccc(F)c(F)c1 217933361 YKFPUEPAFREXOJ-CQSZACIVSA-N 294.301 2.157 70 40 CEIB CC(C)n1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1 97952707 XEQIWHXUJOLANT-UHFFFAOYSA-N 276.667 2.410 70 40 CEIB O=C(O)c1cc2c(c(S(=O)(=O)Cl)c1)CCCC2 100504566 FZPRSOYKFSNRSK-UHFFFAOYSA-N 274.725 2.191 70 40 CEIB C[C@@H](C(=O)O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587262 NHVNEQGTEVFGPL-ZCFIWIBFSA-N 298.238 2.103 70 40 CEIB CCCOc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1C 97942998 CEDPKOUGIUERSN-UHFFFAOYSA-N 292.740 2.410 70 40 CEIB CC(C)COc1ccc(S(=O)(=O)Cl)cc1C(=O)O 59095879 CKKZLFAMYPBWAC-UHFFFAOYSA-N 292.740 2.347 70 40 CEIB Cc1cc(F)cc(OS(=O)(=O)C(F)(F)F)c1 143246130 QFZMALPXXOPKOW-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB CCCOc1ccc(C#N)cc1S(=O)(=O)Cl 217793942 LREWXEIZNUDPKC-UHFFFAOYSA-N 259.714 2.275 70 40 CEIB CC1CC(c2cc(OS(=O)(=O)C(F)(F)F)n(C)n2)C1 575423840 RTBGEZYMSPLHCN-UHFFFAOYSA-N 298.286 2.162 70 40 CEIB CCOC(=O)/C=C/c1ccc(S(=O)(=O)Cl)cc1 100218262 RMNMKTHFABQFJC-VMPITWQZSA-N 274.725 2.190 70 40 CEIB Nc1nc(-c2cccc(S(=O)(=O)F)c2)cs1 100460213 AFNHIRAMRVVPBO-UHFFFAOYSA-N 258.299 2.051 70 40 CEIB O=S(=O)(Cl)c1ccc2nc(Cl)cnc2c1 100395819 XRFZYTKDWOECHH-UHFFFAOYSA-N 263.105 2.211 70 40 CEIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)F 100573922 GPOVNGYOABSOFX-UHFFFAOYSA-N 287.646 2.115 70 40 CEIB CN(C)[Si](Cl)(c1ccccc1)c1ccccc1 195751484 XBQPHUAUIRYNJR-UHFFFAOYSA-N 261.828 2.043 70 40 CEIB Fc1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1 160444161 COAVKWUHMBGAFN-CYBMUJFWSA-N 264.348 2.070 70 40 CEIB O=C(N[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2)N1CCOCC1 217504961 AKWPHHSMSLOHBO-IKARSPCKSA-N 298.814 2.358 70 40 CEIB O=S(=O)(Cl)c1c(Cl)cc(Cl)c2nonc12 100020480 QPFBVUHZOCXJRV-UHFFFAOYSA-N 287.511 2.457 70 40 CEIB O=S(=O)(Cl)c1cc2ncnc(Cl)c2s1 59266840 GXHMPPJFJTVIGJ-UHFFFAOYSA-N 269.134 2.272 70 40 CEIB O=S(=O)(Cl)c1cc2c(Cl)ncnc2s1 59266839 BUWGXOIEWUGBOA-UHFFFAOYSA-N 269.134 2.272 70 40 CEIB in-vitro O=S(=O)(Cl)c1ccc(OCCBr)cc1 100473590 WAEDOYKLSKTBMS-UHFFFAOYSA-N 299.573 2.388 70 40 CEIB O=S(=O)(Cl)c1cscc1Br 72399510 XQOPBRYPDVISQI-UHFFFAOYSA-N 261.549 2.438 70 40 CEIB in-vitro O=C(Cc1cccs1)N1CC(Oc2nccs2)C1 218766304 ZHSFFLQJWMLABH-UHFFFAOYSA-N 280.374 2.037 70 40 CEIB CC[C@@H](C)OCc1nn(CC)cc1S(=O)(=O)Cl 408715222 GVPPDXVGKBESNL-MRVPVSSYSA-N 280.777 2.146 70 40 CEIB COCCCc1cc(O)nc(-c2cnn(CC(C)C)c2)n1 217789934 XLJSQEQUHOBRHF-UHFFFAOYSA-N 290.367 2.281 70 40 CEIB CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(C)C2)cc1 216914293 RUZSDBPIQNMNOR-HNNXBMFYSA-N 290.407 2.432 70 40 CEIB COc1ccccc1OCC(=O)Nc1ccn2nccc2c1 217954519 AQOZDBOLNQOOQX-UHFFFAOYSA-N 297.314 2.360 70 40 CEIB CN1CCC[C@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 216909948 GSQCEVHUQBKTNS-RDVIWEACSA-N 276.424 2.413 70 40 CEIB Cc1c(C(N)=O)c2ccccc2n1Cc1cccnc1 216947492 BLNZPXILIWLYIJ-UHFFFAOYSA-N 265.316 2.492 70 40 CEIB COc1ccccc1CN(C)C(=O)CC1CCN(C)CC1 216902878 CNJBJDWBEUAHSN-UHFFFAOYSA-N 290.407 2.386 70 40 CEIB O=S(=O)(OCCOCc1ccccc1)C(F)(F)F 110753581 BXCSNXZMESLZDW-UHFFFAOYSA-N 284.255 2.069 70 40 CEIB Cc1nn(CCC(F)(F)F)cc1S(=O)(=O)Cl 408717046 VEJKBZXHOALNAI-UHFFFAOYSA-N 276.667 2.071 70 40 CEIB O=CN1CCC(c2nnc(-c3ccccc3F)o2)CC1 216639677 WBDIDITYKCKPRN-UHFFFAOYSA-N 275.283 2.212 70 40 CEIB CCn1c(=O)oc2cc(S(=O)(=O)Cl)c(Cl)cc21 100645698 MRZSBENIAZQSCZ-UHFFFAOYSA-N 296.131 2.195 70 40 CEIB Cc1c(OC(C)C)cc(C(=O)O)cc1S(=O)(=O)Cl 97942997 LLLSYDSIVAQYCW-UHFFFAOYSA-N 292.740 2.408 70 40 CEIB Nc1[nH]nc(-c2ccccc2)c1CC(=O)N1CCCCC1 217815444 JMSCRPUMSLCUDT-UHFFFAOYSA-N 284.363 2.214 70 40 CEIB C[C@H]1Sc2ccc(S(=O)(=O)Cl)cc2NC1=O 100104677 MDEZAGFTZGYCQS-RXMQYKEDSA-N 277.754 2.047 70 40 CEIB CC[C@@H](C(=O)N1CC[C@@H](n2ccnn2)C1)c1ccccc1 217686475 AWQBFQVEZBPWRU-HUUCEWRRSA-N 284.363 2.245 70 40 CEIB CCOc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 216899991 FZPFWEFCJRNUFI-UHFFFAOYSA-N 290.407 2.433 70 40 CEIB CCOC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 106027362 YXOSKAFJXGQHPW-UHFFFAOYSA-N 283.132 2.444 70 40 CEIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccoc1 218225998 LIAAHMQIKSDOIC-UHFFFAOYSA-N 275.308 2.155 70 40 CEIB COCCC1(COS(=O)(=O)C(F)(F)F)CCC1 110753546 LVEQPASVFNEJEA-UHFFFAOYSA-N 276.276 2.059 70 40 CEIB O=S(=O)(F)C(F)(C(F)(F)F)C(F)(F)F 103623974 YYBMGVRXEFBHTL-UHFFFAOYSA-N 252.082 2.076 70 40 CEIB in-vitro Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccco1 216951565 WAMYEIZHVTXPOS-UHFFFAOYSA-N 268.272 2.330 70 40 CEIB CN1CCC[C@H](C(=O)NCCCc2ccc(F)cc2)C1 216912193 KBVAJQLACPGBIV-AWEZNQCLSA-N 278.371 2.216 70 40 CEIB CC(C)(C)C(=O)NCCn1ccnc1-c1cccnc1 217866143 LRRVPIYYBLVJDC-UHFFFAOYSA-N 272.352 2.107 70 40 CEIB CC[C@H](C)OCc1nn(CC)cc1S(=O)(=O)Cl 408715223 GVPPDXVGKBESNL-QMMMGPOBSA-N 280.777 2.146 70 40 CEIB O=C(CC(F)(F)F)Nc1cnn(CC2CCOCC2)c1 218231061 GGIQUTSVGSZARW-UHFFFAOYSA-N 291.273 2.201 70 40 CEIB CCCCn1cc(S(=O)(=O)Cl)c(COCC)n1 408715491 SOLYUWFOQPJGCG-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216914428 QHFZUPMUQGPBSS-TZMCWYRMSA-N 276.380 2.214 70 40 CEIB C[C@H]1CCC[C@@H](C)N1CCCS(=O)(=O)Cl 110752829 ISLYXOZWEZAACU-AOOOYVTPSA-N 253.795 2.208 70 40 CEIB CC[C@@H](C(=O)N1CC[C@H](n2ccnn2)C1)c1ccccc1 217686301 AWQBFQVEZBPWRU-LSDHHAIUSA-N 284.363 2.245 70 40 CEIB CC1CCN(C(=O)c2nccc(N3CCCCC3)n2)CC1 217586462 YYFTUMFVCNSAIR-UHFFFAOYSA-N 288.395 2.339 70 40 CEIB CC(C)Oc1nn(C)c2ccc(S(=O)(=O)Cl)cc12 225773889 INYDGVFBLYQZME-UHFFFAOYSA-N 288.756 2.288 70 40 CEIB CC(C)n1cc(S(=O)(=O)Cl)c(Br)n1 408716498 NQLCOWRWEBOBOF-UHFFFAOYSA-N 287.566 2.154 70 40 CEIB CC(C)(COS(=O)(=O)C(F)(F)F)C(F)(F)F 705027370 GWBFNMQTNNWJEC-UHFFFAOYSA-N 274.182 2.441 70 40 CEIB CCCOCc1c(S(=O)(=O)Cl)cnn1CC(C)C 408717217 XALKCGDSADKQAI-UHFFFAOYSA-N 294.804 2.393 70 40 CEIB Cc1cn2c(S(=O)(=O)Cl)c(Cl)nc2s1 256051671 KCNAMEUVMGGRNE-UHFFFAOYSA-N 271.150 2.285 70 40 CEIB O=C(NCC[C@H](O)c1ccsc1)c1ccco1 217524402 DGOGUNLYTDHKKU-JTQLQIEISA-N 251.307 2.195 70 40 CEIB Cc1cc(OCCF)ccc1S(=O)(=O)Cl 103694014 CHUUPAXFICQBTE-UHFFFAOYSA-N 252.694 2.271 70 40 CEIB O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Cl 100595622 BSTJKQQPWQCPLP-UHFFFAOYSA-N 256.066 2.176 70 40 CEIB N=C(N)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 217359047 CWNFIDPXPAZWFX-VIFPVBQESA-N 265.744 2.128 70 40 CEIB O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1 100631066 NKYPYESQRSNEOB-UHFFFAOYSA-N 260.658 2.004 70 40 CEIB in-vitro COCCOc1ccc(S(=O)(=O)Cl)c(Cl)c1 59108163 PAYQKZSTZCUJNC-UHFFFAOYSA-N 285.148 2.293 70 40 CEIB O=C(O)c1c(O)ccc2cc(S(=O)(=O)Cl)ccc12 95698242 YTGWIRDQNSSAJX-UHFFFAOYSA-N 286.692 2.171 70 40 CEIB CCc1cnccc1C(=O)Nc1cccc(-n2cnnc2)c1 159553191 XOCIJQUERNMVOZ-UHFFFAOYSA-N 293.330 2.477 70 40 CEIB O=C(NCC[C@@H](O)c1ccsc1)c1ccco1 217524485 DGOGUNLYTDHKKU-SNVBAGLBSA-N 251.307 2.195 70 40 CEIB CCCn1ncc(S(=O)(=O)Cl)c1COCC(C)C 408715834 FLUVIJHSYDOUBF-UHFFFAOYSA-N 294.804 2.393 70 40 CEIB O=C(NCC[C@@H](O)C1CCOCC1)Nc1ccc(F)cc1 217928954 PXPNHTCCVXISEQ-CQSZACIVSA-N 296.342 2.125 70 40 CEIB CN1CCC[C@@H](C(=O)NCCCOC2CCCCC2)C1 216917095 LAUJSRIOMYJZIN-CQSZACIVSA-N 282.428 2.184 70 40 CEIB Cc1ccc(-c2nnc([C@@H]3CCCN(C=O)C3)o2)cc1 216662726 UDHURQVSVPYGGZ-CYBMUJFWSA-N 271.320 2.381 70 40 CEIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccoc1 218165039 YDXSUTLIGARQCO-LLVKDONJSA-N 291.376 2.383 70 40 CEIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc1 217685207 WKQDOMCDUZFGLH-FUNVUKJBSA-N 264.394 2.373 70 40 CEIB CCOCC(=O)NC[C@](C)(O)c1cc2ccccc2s1 217497405 QTWXLARBWGZPDU-HNNXBMFYSA-N 293.388 2.262 70 40 CEIB Cc1ccc(CCCNC(=O)[C@H]2CCCN(C)C2)cc1 216912805 RXRHPJKAIGHRNO-INIZCTEOSA-N 274.408 2.386 70 40 CEIB COC(=O)c1coc(CCNC(=O)OC(C)(C)C)c1 217703298 SYOADTKUZQOGQD-UHFFFAOYSA-N 269.297 2.133 70 40 CEIB O=C(CS(=O)(=O)Cl)c1ccccc1Cl 217516888 ARNBWEGTADJZPX-UHFFFAOYSA-N 253.106 2.091 70 40 CEIB O=S(=O)(Cl)c1cncc(Br)c1Cl 103638138 MPEKIKFAFBPCCG-UHFFFAOYSA-N 290.953 2.425 70 40 CEIB CCOC(=O)c1noc(C)c1Cn1nc(C)cc1C 217389207 WZOJVSYNCZJJST-UHFFFAOYSA-N 263.297 2.021 70 40 CEIB O=S(=O)(Cl)c1nc(Cl)nc(Cl)c1CCl 100640429 PBEVNBRDDCPFQV-UHFFFAOYSA-N 295.962 2.450 70 40 CEIB CCOc1ccc(F)c(S(=O)(=O)Cl)c1F 97972569 DHVSAZLWKMRDEP-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB C[C@H]1CC[C@@H]1COc1ccc(S(=O)(=O)Cl)cn1 256052476 NLVUUOXEQKMWIF-DTWKUNHWSA-N 275.757 2.434 70 40 CEIB COC(=O)c1ccc(C(=O)Nc2ccn3nccc3c2)cc1 217952174 UWRHYYHCWGNGQS-UHFFFAOYSA-N 295.298 2.373 70 40 CEIB CC1(C)Sc2ccc(S(=O)(=O)Cl)cc2NC1=O 106613265 CDLIGUMVKWRDLI-UHFFFAOYSA-N 291.781 2.437 70 40 CEIB O=C(/C=C/c1ccoc1)NC[C@@H](O)c1ccc2c(c1)CCO2 217585461 JUCJPJWBTUWGLL-NTHKTCTLSA-N 299.326 2.078 70 40 CEIB Cc1cnc([C@H](C)CNC(=O)Nc2ncco2)s1 159864864 AMBLGSAYXWKDNR-SSDOTTSWSA-N 266.326 2.365 70 40 CEIB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCc1ccccc1 217686067 PXRMNXFIEHNHBC-PUWUPWDNSA-N 293.366 2.282 70 40 CEIB COc1ccc(-c2nnc([C@H]3CCCN(C=O)C3)o2)cc1 216663727 DTBXVFVDUBPAFL-LBPRGKRZSA-N 287.319 2.081 70 40 CEIB Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1F 248102307 JZLFBUSMKJANCC-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB COc1cc(F)ccc1OS(=O)(=O)C(F)(F)F 247925728 ZFVVSXLKJSTQKH-UHFFFAOYSA-N 274.191 2.063 70 40 CEIB Cc1nc(NC(=O)C2CCC2)sc1S(=O)(=O)Cl 103710475 BDRYPLZBHGTPIC-UHFFFAOYSA-N 294.785 2.118 70 40 CEIB CCN(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 216874160 JLXHPLPDXGMWGP-UHFFFAOYSA-N 261.199 2.331 70 40 CEIB CC(C)n1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 100062073 YDEHLRWLHVKOGC-UHFFFAOYSA-N 275.713 2.103 70 40 CEIB COc1cc(N)c(CC(=O)N2CCC(C)CC2)cc1OC 217671074 XBXMSCXXLOIXFX-UHFFFAOYSA-N 292.379 2.087 70 40 CEIB O=C(CS(=O)(=O)Cl)c1cccc(Cl)c1 217517044 UFBRHHSDBRWYEQ-UHFFFAOYSA-N 253.106 2.091 70 40 CEIB Cn1ncc(-c2ccc(F)cc2)c1S(=O)(=O)Cl 218815340 JDWVXCYORITYLJ-UHFFFAOYSA-N 274.704 2.154 70 40 CEIB O=S(=O)(OC12BC(CCC1)CCC2)C(F)(F)F 1772490894 GDEVYDGMSYUIMR-UHFFFAOYSA-N 270.081 2.142 70 40 CEIB Nn1c(SCc2cccc(F)c2)nnc1C(F)F 216901766 QBJXONNGJHNAFA-UHFFFAOYSA-N 274.271 2.361 70 40 CEIB Cc1cc(NC(=O)CC(=O)CCl)n(-c2ccccc2)n1 3394100 CLSPEMHGFQDVJC-UHFFFAOYSA-N 291.738 2.317 70 40 CEIB COc1cc(N)c(CC(=O)NC2CCCCC2)cc1OC 217670617 DORZSTKLRIIAKA-UHFFFAOYSA-N 292.379 2.277 70 40 CEIB O[C@@]12C[C@H]3C[C@@H](C1)C[C@](NCc1cccnc1)(C3)C2 217939029 UPJXLSRGMSKYIV-SYMSYNOKSA-N 258.365 2.255 70 40 CEIB CC(C)Cn1ncc(S(=O)(=O)Cl)c1Cl 103711907 SXOYTVCSSSCOKV-UHFFFAOYSA-N 257.142 2.120 70 40 CEIB CC(C)(C)NC(=O)NC[C@@H]1CCCN(c2nccs2)C1 218167622 BDXJKHXLPOEIDN-NSHDSACASA-N 296.440 2.457 70 40 CEIB O=[S@](c1cc(S(=O)(=O)F)ccc1F)C(F)(F)F 1776011155 AOISLOTWCFUHRG-MRXNPFEDSA-N 294.222 2.111 70 40 CEIB COCCNC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217468799 AIPPRJPQZUFPFT-VWUVDNNOSA-N 286.803 2.262 70 40 CEIB COc1ccc(CN(C)C(=O)CC2CCN(C)CC2)cc1 216897863 NSIRDTKRTLSXEL-UHFFFAOYSA-N 290.407 2.386 70 40 CEIB Cc1cc(C)c(C(=O)N2CC[C@H](n3ccnn3)C2)c(C)c1 217686001 BZMXIUVHCVLCNO-AWEZNQCLSA-N 284.363 2.291 70 40 CEIB Cc1nccc(NC(=O)N(C)CCN(C)C)c1Cl 160014164 WXUPRGFQFZVPOF-UHFFFAOYSA-N 270.764 2.069 70 40 CEIB O=C(/C=C/c1ccoc1)NC[C@H](O)Cc1ccccc1 217574122 XUHRMTXWRSZRBK-LQYUOIDQSA-N 271.316 2.013 70 40 CEIB O=C1CCc2cc(S(=O)(=O)Cl)ccc2N1CC1CC1 218783745 DEJWSUCZAUDFTI-UHFFFAOYSA-N 299.779 2.303 70 40 CEIB Cc1cccc(NC(=O)NCC[C@@H](O)C2CCOCC2)c1 217928754 BYZSPJODQJWUMP-OAHLLOKOSA-N 292.379 2.294 70 40 CEIB O=C(NCC[C@@H](O)c1ccsc1)c1ccoc1 217534543 IVTITGLTULEPGQ-LLVKDONJSA-N 251.307 2.195 70 40 CEIB CCC(=O)Nc1cc(OC)c(S(=O)(=O)Cl)cc1C 218748992 YRKDMWHPGFGSDG-UHFFFAOYSA-N 291.756 2.280 70 40 CEIB O=C(COc1ccccc1)NCC[C@H](O)c1ccsc1 217525785 AIHJTGJUZDQXLG-AWEZNQCLSA-N 291.372 2.367 70 40 CEIB CCOC(=O)/C=C\c1cccc(S(=O)(=O)Cl)c1 100218229 KEUCZFOLYFRYTK-SREVYHEPSA-N 274.725 2.190 70 40 CEIB CCOc1ccccc1CNC(=O)[C@@H]1CCCN(C)C1 216914191 FBMZOCULLIHVLO-CQSZACIVSA-N 276.380 2.043 70 40 CEIB Cc1cc(C)c(C(=O)N2CC[C@@H](n3ccnn3)C2)c(C)c1 217686088 BZMXIUVHCVLCNO-CQSZACIVSA-N 284.363 2.291 70 40 CEIB CN(Cc1c(F)cccc1Cl)S(=O)(=O)Cl 100565630 GABIPZZSMGKWCP-UHFFFAOYSA-N 272.128 2.395 70 40 CEIB CCCCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl 59079788 YVRZGZRDZJQRDT-UHFFFAOYSA-N 292.740 2.491 70 40 CEIB Cc1c(S(=O)(=O)Cl)cnn1CCC(C)C 103674327 RIHZTGNTUNIEFW-UHFFFAOYSA-N 250.751 2.165 70 40 CEIB Cc1cc(N2CCC[C@H]2CN2CCCCC2)ncn1 160440110 OMFNGHSAHZHIFC-AWEZNQCLSA-N 260.385 2.240 70 40 CEIB CCOc1c(F)cc(F)cc1S(=O)(=O)Cl 103624733 MTNBZAHIUWTVFR-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB CC(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC(C)C 103635780 ILPXCYAFKOCFPV-UHFFFAOYSA-N 291.756 2.360 70 40 CEIB CO[C@@H](CNC(=O)c1ccno1)c1ccccc1Cl 218310887 XBHSNFCGPPRGMQ-LBPRGKRZSA-N 280.711 2.446 70 40 CEIB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C)C1 216910570 VBIPMXKLOBSNLC-ZBFHGGJFSA-N 274.408 2.466 70 40 CEIB O=S(=O)(Oc1ccc(F)c(F)c1)C(F)(F)F 137617053 HVWRSLYJGMTSDS-UHFFFAOYSA-N 262.155 2.193 70 40 CEIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cncnc1 100047364 TZPLYNSLIVPKAH-UHFFFAOYSA-N 290.147 2.391 70 40 CEIB CCOC(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 216910036 SDBZNCUTZRGODB-UHFFFAOYSA-N 259.261 2.222 70 40 CEIB COc1cc(-c2nnc(N)o2)ccc1OCc1cccnc1 216844097 MJKCVYXUTSKJKJ-UHFFFAOYSA-N 298.302 2.301 70 40 CEIB CCOC(=O)c1[nH]c2ccccc2c1S(=O)(=O)Cl 100268131 WJBJGUGROYHJNU-UHFFFAOYSA-N 287.724 2.272 70 40 CEIB O=C(c1c[nH]c2ccccc12)N1CCc2oncc2C1 217693420 WECNMOUUDSKLTB-UHFFFAOYSA-N 267.288 2.354 70 40 CEIB CC1CC(COc2ccc(S(=O)(=O)Cl)cn2)C1 256054036 USDCKACIXKLXRN-UHFFFAOYSA-N 275.757 2.434 70 40 CEIB Cc1cc(S(=O)(=O)Cl)cc2c1N(C)C(=O)C2(C)C 101477249 PGYGONAAWUTVDN-UHFFFAOYSA-N 287.768 2.177 70 40 CEIB CC1(C)C(=O)Nc2c(Cl)cc(S(=O)(=O)Cl)cc21 103582442 WHSHWIQSWULRJP-UHFFFAOYSA-N 294.159 2.497 70 40 CEIB COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Cl 59261992 AULCPHOWJWXGCA-UHFFFAOYSA-N 287.095 2.193 70 40 CEIB in-vitro COC(=O)c1ccc2nc(C)c(Br)n2c1 218118865 MJYFZZNKFGFBOW-UHFFFAOYSA-N 269.098 2.192 70 40 CEIB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216914455 QHFZUPMUQGPBSS-GXTWGEPZSA-N 276.380 2.214 70 40 CEIB Cc1csc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 218080784 KBJVXSPZNZACMO-LBPRGKRZSA-N 287.388 2.460 70 40 CEIB Cc1noc(C)c1C(=O)Nc1ccn2nccc2c1 217957272 YPNUQENFGDBQKD-UHFFFAOYSA-N 256.265 2.191 70 40 CEIB Cc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl 160575554 VIAXQCYDOIDGLB-UHFFFAOYSA-N 289.769 2.301 70 40 CEIB Cc1ccc(F)cc1OS(=O)(=O)C(F)(F)F 247913049 LRPFWROZFMUIKX-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB COc1ccc(S(=O)(=O)F)cc1Br 105444484 UBYRLFWOLYMJEA-UHFFFAOYSA-N 269.091 2.116 70 40 CEIB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(C)C2)c1 216912849 OANZNQBKWIWYOU-MRXNPFEDSA-N 274.408 2.386 70 40 CEIB CCc1cc(O)nc(C2(COCC(C)C)CC2)n1 217797358 UIJRBPHGKJSGCY-UHFFFAOYSA-N 250.342 2.449 70 40 CEIB O=S(=O)(Oc1cc(F)ccc1F)C(F)(F)F 140719038 COJBXGYEVJLMTI-UHFFFAOYSA-N 262.155 2.193 70 40 CEIB Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 80024137 GPCJLFUAAMOPSL-UHFFFAOYSA-N 285.199 2.132 70 40 CEIB CCS(=O)(=O)NCC1(c2ccsc2)CCCC1 217483168 QDUYJLDDYVONQH-UHFFFAOYSA-N 273.423 2.499 70 40 CEIB CCCN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21 218799518 DJUPJIJBOGXOPC-UHFFFAOYSA-N 287.768 2.303 70 40 CEIB Cc1ccc(F)c(OS(=O)(=O)C(F)(F)F)c1 247916503 MQYQLQKIBKRPLV-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB N=C(N)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 217358967 CWNFIDPXPAZWFX-SECBINFHSA-N 265.744 2.128 70 40 CEIB COc1ccc2nc(C)ccc2c1S(=O)(=O)Cl 135814384 PJPFCYCBBFBMPR-UHFFFAOYSA-N 271.725 2.479 70 40 CEIB Cc1nc2ccccc2n1CCCS(=O)(=O)Cl 110752687 URNKJYINWLFVQS-UHFFFAOYSA-N 272.757 2.303 70 40 CEIB CC(C)NC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 218004029 RAOAIZHWAMEPFD-OAHLLOKOSA-N 276.336 2.348 70 40 CEIB O=S(=O)(Cl)c1cc(Cl)c2[nH]ncc2c1 211365318 OWECBMHVVPOOJW-UHFFFAOYSA-N 251.094 2.144 70 40 CEIB CC(C)(C)NC(=O)NC[C@H]1CCCN(c2nccs2)C1 218167671 BDXJKHXLPOEIDN-LLVKDONJSA-N 296.440 2.457 70 40 CEIB CCCn1nc(C)c(Cl)c1S(=O)(=O)Cl 100804838 KMDHJXBCAGOOHK-UHFFFAOYSA-N 257.142 2.182 70 40 CEIB CC(C)c1nc(-c2ccc(S(=O)(=O)Cl)o2)no1 100004421 HRSPTMOUIGTXOO-UHFFFAOYSA-N 276.701 2.381 70 40 CEIB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1 216917496 AORCLLPVKYNSPA-HUUCEWRRSA-N 290.407 2.220 70 40 CEIB CCc1cc2cc(S(=O)(=O)Cl)ccc2[nH]c1=O 103698031 CTUJDDNLXKBSOD-UHFFFAOYSA-N 271.725 2.018 70 40 CEIB COc1ccc(CCCNC(=O)[C@H]2CCCN(C)C2)cc1 216912340 QDJXFUNBJKBHAU-HNNXBMFYSA-N 290.407 2.086 70 40 CEIB O=C(N1CCOCC1)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217747477 CESVVADNQWIQSU-IKARSPCKSA-N 283.799 2.423 70 40 CEIB CCCn1cc(S(=O)(=O)Cl)c(COCC(C)C)n1 408715329 IZYVYPIFGXJBJX-UHFFFAOYSA-N 294.804 2.393 70 40 CEIB CC(C)OCc1c(S(=O)(=O)Cl)cnn1C(C)C 408715559 BRTSJCFDMKOZRT-UHFFFAOYSA-N 280.777 2.317 70 40 CEIB O=C(COc1ccccc1)NCC[C@@H](O)c1ccsc1 217525870 AIHJTGJUZDQXLG-CQSZACIVSA-N 291.372 2.367 70 40 CEIB CCO[C@@H](COC)c1ccc(S(=O)(=O)Cl)cc1 103670539 KGEQOMHYDPJNSX-NSHDSACASA-N 278.757 2.338 70 40 CEIB Cc1cccc(Cn2cc([C@@H]3OCCS3)nn2)c1 216749251 YPNAULLDHMZUMH-CYBMUJFWSA-N 261.350 2.397 70 40 CEIB COc1ccc(Cl)cc1CS(=O)(=O)Cl 100614150 RBXYTWGJFABQSQ-UHFFFAOYSA-N 255.122 2.417 70 40 CEIB in-vitro O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1ccncc1 100567800 OQNAJKIHPDZGFT-UHFFFAOYSA-N 296.735 2.261 70 40 CEIB O=S(=O)(Cl)c1cc2c(cc1Cl)OCCCO2 59098668 MYRQVRRGEDIFSZ-UHFFFAOYSA-N 283.132 2.429 70 40 CEIB in-vitro COc1ccccc1C(=O)n1cc(C(N)=O)c2ccccc21 216955657 XCIUNORRMUZWHU-UHFFFAOYSA-N 294.310 2.437 70 40 CEIB CC[C@@H](NC(C)=O)c1ccc(S(=O)(=O)Cl)cc1 103635031 XJLBWVWCEHBOOK-LLVKDONJSA-N 275.757 2.201 70 40 CEIB O=C(O)CCOc1ccc(S(=O)(=O)Cl)cc1Cl 100613223 VABMYXZAACBXCT-UHFFFAOYSA-N 299.131 2.121 70 40 CEIB CCCOCc1nn(CCC)cc1S(=O)(=O)Cl 408715313 IAUGNPBFZDFOIF-UHFFFAOYSA-N 280.777 2.147 70 40 CEIB CC[C@H](C)OCc1c(S(=O)(=O)Cl)cnn1CC 408716743 QKUBCHMUBJFRHV-QMMMGPOBSA-N 280.777 2.146 70 40 CEIB O=C1NCCN1C(=O)NCC1(c2ccsc2)CCCC1 217582900 LTHSBNWQWLUZPJ-UHFFFAOYSA-N 293.392 2.295 70 40 CEIB COc1c(F)cc(S(=O)(=O)Cl)cc1Cl 103624754 NKLWOLDUHBGVAQ-UHFFFAOYSA-N 259.085 2.415 70 40 CEIB CNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl 95698275 RBGLHQVQSDZQLQ-UHFFFAOYSA-N 283.136 2.019 70 40 CEIB CCn1cc(-c2ccc(S(=O)(=O)Cl)cc2)cn1 103701069 YFQRQXZWRYTONU-UHFFFAOYSA-N 270.741 2.498 70 40 CEIB CCc1cc(OC)c(OC)cc1S(=O)(=O)Cl 218537218 MAFLGLWYNHHOIY-UHFFFAOYSA-N 264.730 2.194 70 40 CEIB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](S(=O)(=O)Cl)C2 584905866 QUAMALVDCVITHC-XHNCKOQMSA-N 295.788 2.095 70 40 CEIB O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(Cl)cc1F 100572749 QQYXMCLSCRSLQP-UHFFFAOYSA-N 274.056 2.315 70 40 CEIB in-vitro O=S(=O)(Cl)c1c[nH]c2cncc(Cl)c12 953057309 FBQQLCJOFRPJPC-UHFFFAOYSA-N 251.094 2.144 70 40 CEIB Cc1nn(CC2CCC2)c(C)c1S(=O)(=O)Cl 103695284 YDBVCHFKDMUSEM-UHFFFAOYSA-N 262.762 2.228 70 40 CEIB CC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 100449452 XWIWYJKLMNGMLH-UHFFFAOYSA-N 253.106 2.470 70 40 CEIB COC(=O)c1cc(Cl)ccc1S(=O)(=O)Cl 100168582 CVFDLVIWIUKZBI-UHFFFAOYSA-N 269.105 2.054 70 40 CEIB in-vitro COc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216957526 MSRCROHNQPUZLC-UHFFFAOYSA-N 294.310 2.437 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)Nc1ccccc1 217949425 XDAOJGNVYCXBCT-AWEZNQCLSA-N 273.336 2.270 70 40 CEIB Cc1ccccc1Cn1cc([C@H]2OCCS2)nn1 216749187 MEBJVQPBGFXETF-ZDUSSCGKSA-N 261.350 2.397 70 40 CEIB Cc1csc(C(=O)NCC[C@@H](O)c2cccn2C)c1 217932150 KYVCAAFWOHQMGS-GFCCVEGCSA-N 278.377 2.249 70 40 CEIB O=C(CS(=O)(=O)Cl)c1cccc(Br)c1 217519163 KYISLKQPUIVJCK-UHFFFAOYSA-N 297.557 2.200 70 40 CEIB O=C(NCCSC1CCOCC1)c1ccsc1 217699232 OENNAOURSQVURA-UHFFFAOYSA-N 271.407 2.390 70 40 CEIB Cn1cnc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 100041565 IWTPHWSECNQILQ-UHFFFAOYSA-N 292.163 2.335 70 40 CEIB CN1CCC(CC(=O)NCCCOC2CCCC2)CC1 216903651 LRZOBKMOJZHOIY-UHFFFAOYSA-N 282.428 2.184 70 40 CEIB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Cl 59312390 JJVAWKPCVGZSNI-UHFFFAOYSA-N 250.751 2.083 70 40 CEIB in-vitro CCn1cc(S(=O)(=O)Cl)c(COCC(C)C)n1 408715460 QDHYRELQSZOEIU-UHFFFAOYSA-N 280.777 2.003 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)c1ccc(F)c(F)c1 217933448 YKFPUEPAFREXOJ-AWEZNQCLSA-N 294.301 2.157 70 40 CEIB CCCCn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 103693261 TXCXDECOAAEYBT-UHFFFAOYSA-N 289.740 2.322 70 40 CEIB CC(=O)n1ccc2cc(S(=O)(=O)Cl)ccc21 100048845 QTFQCJWSPDAXTI-UHFFFAOYSA-N 257.698 2.229 70 40 CEIB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(C)C2)cc1 216912777 RXRHPJKAIGHRNO-MRXNPFEDSA-N 274.408 2.386 70 40 CEIB Cn1ccnc1-c1ccc(S(=O)(=O)Cl)cc1 100031991 XLFSJIGVCSPHDH-UHFFFAOYSA-N 256.714 2.015 70 40 CEIB Cc1cccc(Cn2cc([C@H]3OCCS3)nn2)c1 216749306 YPNAULLDHMZUMH-ZDUSSCGKSA-N 261.350 2.397 70 40 CEIB CCOCc1c(S(=O)(=O)Cl)cnn1CC(C)C 408716047 IISSGTHBHVYQAT-UHFFFAOYSA-N 280.777 2.003 70 40 CEIB COc1ccc(-c2nnc(N)o2)cc1OCc1cccnc1 216843702 YTZJMMKHWWHMQW-UHFFFAOYSA-N 298.302 2.301 70 40 CEIB CC(C)OCc1nn(C(F)F)cc1S(=O)(=O)Cl 408715498 TWBWKWSUYVQFMT-UHFFFAOYSA-N 288.703 2.131 70 40 CEIB Cc1ccc(S(=O)(=O)Cl)c(C)c1N1CCCC1=O 100151113 FSBPUFKDRBPFRU-UHFFFAOYSA-N 287.768 2.358 70 40 CEIB O=C(Nc1ccccc1)N[C@H]1CCN(c2ccccn2)C1 159702985 LIBRSROXEOJNHV-AWEZNQCLSA-N 282.347 2.482 70 40 CEIB Cc1cccc(CC(=O)N2CC(Oc3nccs3)C2)c1 218766408 IIBLBYCDOBIIFK-UHFFFAOYSA-N 288.372 2.284 70 40 CEIB CCn1nc(C(F)F)c(S(=O)(=O)Cl)c1C 408716023 IBQUPDLGAPYNBB-UHFFFAOYSA-N 258.677 2.077 70 40 CEIB Clc1ccc(Cn2cc(C3OCCO3)nn2)cc1 216748300 GDKUOUUHPZAFER-UHFFFAOYSA-N 265.700 2.025 70 40 CEIB Cc1cccc(Nc2cc(N3CCNCC3)nc(C)n2)c1 217678569 SAUYSYFYVTXVSK-UHFFFAOYSA-N 283.379 2.247 70 40 CEIB CCOC(=O)NCCn1ccc(-c2ccsc2)n1 217885831 WHGGBVOGFCOEAT-UHFFFAOYSA-N 265.338 2.358 70 40 CEIB CC(C)Oc1ccc(C#N)cc1S(=O)(=O)Cl 130257853 WFEKEAQYVABKTK-UHFFFAOYSA-N 259.714 2.273 70 40 CEIB COC(CN1CCCN(c2ccc(C)cc2)CC1)OC 160646001 OQSWRQYMIHCGGW-UHFFFAOYSA-N 278.396 2.126 70 40 CEIB O=S(=O)(Oc1ccc(C(F)(F)F)nc1)C(F)(F)F 100000577 YXTDRVFQMVNSGJ-UHFFFAOYSA-N 295.160 2.329 70 40 CEIB C=C(C)COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 103694526 UPMWSSUKIGWLJH-UHFFFAOYSA-N 291.712 2.477 70 40 CEIB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21 101477227 UGXBQDCGCRSDLW-UHFFFAOYSA-N 287.768 2.258 70 40 CEIB CC1(C)C(=O)Nc2c1cc(Cl)cc2S(=O)(=O)Cl 101477323 LAJYCDRXSFXOAE-UHFFFAOYSA-N 294.159 2.497 70 40 CEIB CN1CCC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 216893095 OVNXSGXEOYPUDK-BFHYXJOUSA-N 250.386 2.023 70 40 CEIB Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)Cl 59312440 SYPWLWGKWIMAOE-UHFFFAOYSA-N 250.751 2.182 70 40 CEIB in-vitro Nc1nnc(-c2cccc(OCc3cccnc3)c2)o1 216843665 JCUSATUMAYXHMF-UHFFFAOYSA-N 268.276 2.293 70 40 CEIB COc1cc(N)c(CC(=O)Nc2ccccc2)cc1OC 217671264 GIQIQUGJCHFGSP-UHFFFAOYSA-N 286.331 2.467 70 40 CEIB C[C@@](O)(CNC(=O)C1CC1)c1cc2ccccc2o1 217982595 WOMOUEZMGITHSU-OAHLLOKOSA-N 259.305 2.167 70 40 CEIB CN1CCC[C@@H](C(=O)NC23CC4CC(CC(C4)C2)C3)C1 216909916 GSQCEVHUQBKTNS-UZZMVUAXSA-N 276.424 2.413 70 40 CEIB COCCCc1cc(O)nc(Cc2ccccc2)n1 217787925 SYCUAKOBQZWSCG-UHFFFAOYSA-N 258.321 2.352 70 40 CEIB Cc1cccc(CCCNC(=O)[C@H]2CCCN(C)C2)c1 216912872 OANZNQBKWIWYOU-INIZCTEOSA-N 274.408 2.386 70 40 CEIB CCOc1ccccc1CNC(=O)CC1CCN(C)CC1 216900980 JTCYQOMBMFVEIZ-UHFFFAOYSA-N 290.407 2.433 70 40 CEIB Cc1ccc(CN(C)C(=O)[C@@H]2CCCN(C)C2)cc1 216916128 HSZZLTMVWKNHSN-OAHLLOKOSA-N 260.381 2.295 70 40 CEIB C[C@H]1CCC[C@H](C)N1CCCS(=O)(=O)Cl 110752832 ISLYXOZWEZAACU-UWVGGRQHSA-N 253.795 2.208 70 40 CEIB CCCCOCc1nn(CCF)cc1S(=O)(=O)Cl 408715399 MGCXLXFMTDAIPP-UHFFFAOYSA-N 298.767 2.097 70 40 CEIB CC(C)CN1Cc2ccc(S(=O)(=O)Cl)cc2C1=O 103620034 FWURWQWQKDPXNU-UHFFFAOYSA-N 287.768 2.226 70 40 CEIB COCc1ccc(S(=O)(=O)Cl)cc1Cl 110749429 KAKXEJXMIHGHEB-UHFFFAOYSA-N 255.122 2.414 70 40 CEIB Cc1ccnc(N2CCC[C@@H]2CN2CCCCC2)n1 160440259 QXODXVKJEPAOSH-CQSZACIVSA-N 260.385 2.240 70 40 CEIB O=C(NCCn1ccc(-c2ccsc2)n1)C1CC1 217883665 IVBHXIUAMJWGRI-UHFFFAOYSA-N 261.350 2.138 70 40 CEIB O=C(c1cccc(S(=O)(=O)Cl)c1)N1CCCCC1 100603310 ZDQHKXLIGGNBIZ-UHFFFAOYSA-N 287.768 2.240 70 40 CEIB CCC(=O)N1CCCc2cc(S(=O)(=O)Cl)ccc21 59103803 IVBYMEMHQQUWBI-UHFFFAOYSA-N 287.768 2.303 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)C1CCCCC1 217931780 RRUQJXVQWKDOCB-AWEZNQCLSA-N 264.369 2.145 70 40 CEIB O=S(=O)(F)Nc1c(F)c(F)c(F)c(F)c1F 1776011163 CRVZJFIQAZEQRQ-UHFFFAOYSA-N 265.134 2.008 70 40 CEIB O=C(c1ccc2nc[nH]c2c1)N1[C@H]2C=CC[C@H]1CC2 218727680 NMIFSMGBZRIRTP-RYUDHWBXSA-N 253.305 2.496 70 40 CEIB O=C(CC1CCCCC1)NCC[C@H](O)C1CCOCC1 217913951 JGNGMMZPCGNIDR-HNNXBMFYSA-N 283.412 2.251 70 40 CEIB Cc1oncc1NC(=O)C[C@H]1CSCCS1 161031162 NLKVTJYSFTYMRW-QMMMGPOBSA-N 258.368 2.160 70 40 CEIB O=S(=O)(F)N1CCC(Cc2ccccc2)CC1 1776011191 JZACEARRYVHDEN-UHFFFAOYSA-N 257.330 2.155 70 40 CEIB O=S(=O)(Cl)c1ccc(-c2noc(CCl)n2)s1 95676450 SBJSVTQEOYREFW-UHFFFAOYSA-N 299.160 2.464 70 40 CEIB COc1ccccc1CCCNC(=O)[C@H]1CCCN(C)C1 216912265 KGTACBSLFGRNSW-HNNXBMFYSA-N 290.407 2.086 70 40 CEIB COc1ccc(-c2cnoc2)c(S(=O)(=O)Cl)c1 218817807 UFQWTKJCYABWGE-UHFFFAOYSA-N 273.697 2.278 70 40 CEIB O=C1O[C@@]2(CCCN(C(=O)C3CC3)C2)c2ccccc21 217594337 QEJJUXDNMMPRNL-MRXNPFEDSA-N 271.316 2.085 70 40 CEIB O=C(c1ccncc1)c1cccc(S(=O)(=O)Cl)c1 95697001 WHLZTVCJBMAWMC-UHFFFAOYSA-N 281.720 2.240 70 40 CEIB CN(C)C(=O)Sc1ccc(S(=O)(=O)F)cc1F 104162094 JJIHHHJQDZBKQC-UHFFFAOYSA-N 281.305 2.258 70 40 CEIB CCc1ccc(C(=O)NCC[C@H](O)C2CCOCC2)cc1 217914535 QENYSXCQONKDKI-INIZCTEOSA-N 291.391 2.156 70 40 CEIB COc1ccc(F)c(S(=O)(=O)Cl)c1Cl 103624729 CYXRMUXMHAWJGV-UHFFFAOYSA-N 259.085 2.415 70 40 CEIB O=S(=O)(Cl)c1cc2c(nc1Cl)CCC2 256052413 NEAYATUVSRCLPA-UHFFFAOYSA-N 252.122 2.151 70 40 CEIB Cc1c([N+](=O)[O-])cc(C(=O)N=[N+]=[N-])cc1[N+](=O)[O-] 17314907 VJZZTDJQRRAWOS-UHFFFAOYSA-N 251.158 2.262 70 40 CEIB COCCNC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217754679 GBFFFDVPNZZGTC-VWUVDNNOSA-N 271.788 2.327 70 40 CEIB COc1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1 166355188 XELWCBVAXIEQLZ-UHFFFAOYSA-N 274.191 2.063 70 40 CEIB Cc1ccc(OC[C@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1 216917562 AORCLLPVKYNSPA-GJZGRUSLSA-N 290.407 2.220 70 40 CEIB CCN(C(=O)C(F)(F)F)c1ccc2c(c1)OCCO2 216874220 PNYWLYWEZVARIC-UHFFFAOYSA-N 275.226 2.373 70 40 CEIB CS(=O)(=O)N1CCCC[C@@H](c2ccccc2)C1 217288234 ZQJOYZZTKMFMKC-CYBMUJFWSA-N 253.367 2.216 70 40 CEIB Cc1cccc(NC(=O)NCC[C@H](O)C2CCOCC2)c1 217928672 BYZSPJODQJWUMP-HNNXBMFYSA-N 292.379 2.294 70 40 CEIB Fc1ccc(Cn2cc([C@@H]3OCCS3)nn2)cc1 216749944 URMDKOSZAWQKMN-GFCCVEGCSA-N 265.313 2.228 70 40 CEIB CCOc1ccc(OCC)c(S(=O)(=O)Cl)c1 100757967 QMICURZEKYXDJE-UHFFFAOYSA-N 264.730 2.412 70 40 CEIB COCCCc1cc(O)nc(-c2cccs2)n1 217789393 WMGBHPBCNMAAFN-UHFFFAOYSA-N 250.323 2.490 70 40 CEIB Cc1cccc(F)c1OS(=O)(=O)C(F)(F)F 247875522 OASSQJHIBUVDEL-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)Cl)cc21 103696973 GUURRPCXJZJTBL-UHFFFAOYSA-N 273.741 2.234 70 40 CEIB in-vitro CCOC(=O)c1cc(S(=O)(=O)Cl)ccc1C 59233860 DWBXCYREJOEVOL-UHFFFAOYSA-N 262.714 2.099 70 40 CEIB CCc1cnc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)s1 161279267 SHMAUCDJMFZLMJ-MRVPVSSYSA-N 293.396 2.490 70 40 CEIB Cc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2(C)C 101477252 CIRPPRNKKBGRBE-UHFFFAOYSA-N 273.741 2.152 70 40 CEIB Nn1cnnc1SCc1ccc2ccccc2c1 216926696 YTDNNAYRNPBFFY-UHFFFAOYSA-N 256.334 2.437 70 40 CEIB O=C(NCCSC1CCOCC1)c1cccc(F)c1 217706114 FOLMOPVXERTKJI-UHFFFAOYSA-N 283.368 2.468 70 40 CEIB CCS(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1 217510523 CAMWKOMREKFFFV-ZDUSSCGKSA-N 299.417 2.048 70 40 CEIB Cc1nc2ccc(S(=O)(=O)Cl)cc2nc1C 100753072 MAJIXSXMRIYFCT-UHFFFAOYSA-N 256.714 2.174 70 40 CEIB Nc1nnc(-c2ccc(OCc3cccnc3)cc2)o1 216844050 GXDLQPHBLACCLV-UHFFFAOYSA-N 268.276 2.293 70 40 CEIB O=[N+]([O-])c1cc(F)cc(S(=O)(=O)Cl)c1Cl 100646245 UBLRMSYHDOKQMJ-UHFFFAOYSA-N 274.056 2.315 70 40 CEIB CCOc1cc(F)c(S(=O)(=O)Cl)c(F)c1 103624786 VUFXXJXBHWICAX-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Cl 59312422 RAPGSKRVLRMHSN-UHFFFAOYSA-N 284.768 2.476 70 40 CEIB O=C(Nc1ccn2nccc2c1)c1ccc2c(c1)OCO2 217953187 BCOVQDQITULCOU-UHFFFAOYSA-N 281.271 2.315 70 40 CEIB O=S(=O)(Cc1ccccc1)Nc1ccn2nccc2c1 217961300 WLQNWVIDGMGJOC-UHFFFAOYSA-N 287.344 2.276 70 40 CEIB CC[C@@H]1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 217473116 QICWTTPDBYAQDL-ZETCQYMHSA-N 259.714 2.060 70 40 CEIB O=C(CC1CC1)Nc1cnn(CC2CCOCC2)c1 218231414 VFBPKEHJVUCKKP-UHFFFAOYSA-N 263.341 2.048 70 40 CEIB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)CNC 161259405 XAVMBLCNHPHSNZ-LSDHHAIUSA-N 260.381 2.309 70 40 CEIB O=S(=O)(Cl)c1cnoc1-c1ccccc1F 97952696 HAMMBEBPEJEKNB-UHFFFAOYSA-N 261.661 2.408 70 40 CEIB CCCOc1cc(S(=O)(=O)Cl)ccc1C#N 117591125 XFBXBOYHUSDTOM-UHFFFAOYSA-N 259.714 2.275 70 40 CEIB COC(=O)CS[C@H]1CCN(C(=O)c2cc(C)cs2)C1 217552254 ICRKUBVEKIWHJX-JTQLQIEISA-N 299.417 2.177 70 40 CEIB NC(=O)c1cn(C(=O)c2cccs2)c2ccccc12 216951402 RWZLDZDFXYKHIX-UHFFFAOYSA-N 270.313 2.490 70 40 CEIB CN1CCc2nc(-c3cccc(Cl)c3)[nH]c(=O)c2C1 216845452 FRGZGBPBOWGWNT-UHFFFAOYSA-N 275.739 2.078 70 40 CEIB COc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1 216922832 HTWLTVUFOMWWKE-LBPRGKRZSA-N 276.380 2.214 70 40 CEIB NC(=O)c1cn(C(=O)COc2ccccc2)c2ccccc12 216723883 VAQOJDUKWSISLJ-UHFFFAOYSA-N 294.310 2.459 70 40 CEIB CCOc1ccc(CNC(=O)[C@H]2CCCN(C)C2)cc1 216913251 OIQIAEXRECGTHN-AWEZNQCLSA-N 276.380 2.043 70 40 CEIB COc1cccc(C(=O)n2cc(C(N)=O)c3ccccc32)c1 216956351 DSLPKRZTLCDXIX-UHFFFAOYSA-N 294.310 2.437 70 40 CEIB C[C@H]1C[C@H]1NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 161161657 NAUQMMCJWXDYHS-JOYOIKCWSA-N 271.324 2.012 70 40 CEIB CC[C@H](C(=O)N1CC[C@H](n2ccnn2)C1)c1ccccc1 217686219 AWQBFQVEZBPWRU-GJZGRUSLSA-N 284.363 2.245 70 40 CEIB O=C(C1CCC1)N1CC(n2cc(-c3ccccc3)nn2)C1 217669963 LJCVFPZGOCGRKU-UHFFFAOYSA-N 282.347 2.129 70 40 CEIB O=C1O[C@]2(CCCN(C(=O)C3CC3)C2)c2ccccc21 217594414 QEJJUXDNMMPRNL-INIZCTEOSA-N 271.316 2.085 70 40 CEIB O=[N+]([O-])c1cc(Cl)cc(S(=O)(=O)Cl)c1 103583177 WYILGLSXXCOVKO-UHFFFAOYSA-N 256.066 2.176 70 40 CEIB O=C(NCC[C@H](O)C1CCOCC1)Nc1ccc(F)cc1 217928874 PXPNHTCCVXISEQ-AWEZNQCLSA-N 296.342 2.125 70 40 CEIB CN1CCC(CC(=O)NCCCN2CCCCCC2)CC1 216899182 BJKMMXHKVGDSCV-UHFFFAOYSA-N 295.471 2.101 70 40 CEIB O=[N+]([O-])c1c(Cl)cccc1S(=O)(=O)Cl 97972529 ADOXIPNKUNIZFV-UHFFFAOYSA-N 256.066 2.176 70 40 CEIB CN1CCC[C@@H](C(=O)NCCCc2ccc(F)cc2)C1 216912163 KBVAJQLACPGBIV-CQSZACIVSA-N 278.371 2.216 70 40 CEIB Cc1cc(OC[C@H]2CCCO2)ccc1S(=O)(=O)Cl 59108076 CVVUPNAYMONYOW-LLVKDONJSA-N 290.768 2.480 70 40 CEIB in-vitro Cn1nc(CN(Cc2ccco2)C(=O)C2CC2)c2c1CCC2 217902495 KQDSARAVZDDQQO-UHFFFAOYSA-N 299.374 2.441 70 40 CEIB CC(C)(C)C(=O)Nc1cnn(CC2CCOCC2)c1 218203580 ZOATVTTXBYPZGO-UHFFFAOYSA-N 265.357 2.294 70 40 CEIB COCCNC(=O)[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 217743452 OADZILDSCNIVMV-BVMXXOESSA-N 251.370 2.356 70 40 CEIB CC(C)Oc1ccc(S(=O)(=O)Cl)c(Cl)n1 257197466 AFDMXPSLTQNVOD-UHFFFAOYSA-N 270.137 2.450 70 40 CEIB O=C(Nc1ncc(S(=O)(=O)Cl)s1)C1CCCC1 110749470 BIIGLIKGVCHEFF-UHFFFAOYSA-N 294.785 2.199 70 40 CEIB Cc1nn(CCC(C)C)cc1S(=O)(=O)Cl 103635873 MTDSHMNBYJBFCT-UHFFFAOYSA-N 250.751 2.165 70 40 CEIB CC(C)(C)NC(=O)Nc1cnn(CC2CCOCC2)c1 218233572 HAHSAXDIEBOGTG-UHFFFAOYSA-N 280.372 2.230 70 40 CEIB Cc1nn(-c2ccc(S(=O)(=O)Cl)cc2)c(C)c1C#N 103695523 PJUTYPHAUIKQIU-UHFFFAOYSA-N 295.751 2.288 70 40 CEIB Cc1c(S(=O)(=O)Cl)cnn1CCC(F)(F)F 408716287 KZRCLZQDDUXBJT-UHFFFAOYSA-N 276.667 2.071 70 40 CEIB Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C(F)(F)F 248045522 WTSMAYFALLTGPR-UHFFFAOYSA-N 285.199 2.132 70 40 CEIB O=CN1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1 216661788 PIQGDYLNFKNHDD-NSHDSACASA-N 275.283 2.212 70 40 CEIB Cc1ccc(Cn2cc([C@@H]3OCCS3)nn2)cc1 216749380 MHZGUPKVMQNESF-CYBMUJFWSA-N 261.350 2.397 70 40 CEIB COc1ccc(-c2nnc(C3CCN(C=O)CC3)o2)cc1 216640717 XTGKZBYFRPCKIW-UHFFFAOYSA-N 287.319 2.081 70 40 CEIB CC(C)C(=O)Oc1ccc(S(=O)(=O)Cl)cc1 100634897 RFJMKODIFBJYAR-UHFFFAOYSA-N 262.714 2.176 70 40 CEIB O=S(=O)(F)Cc1ccc(Br)cc1F 100614515 BOYHGJVWBKVNRT-UHFFFAOYSA-N 271.082 2.388 70 40 CEIB in-vitro Cc1ccc(Cn2cc([C@H]3OCCS3)nn2)cc1 216749427 MHZGUPKVMQNESF-ZDUSSCGKSA-N 261.350 2.397 70 40 CEIB O=C(NCCSC1CCOCC1)c1ccccc1 217698908 JJSBJNJQMNLFLK-UHFFFAOYSA-N 265.378 2.329 70 40 CEIB C[C@@H](Oc1ccccc1)C(=O)NCCC1CCN(C)CC1 217031717 FFCLEJIEOKBPTF-CQSZACIVSA-N 290.407 2.302 70 40 CEIB CCC(=O)Nc1ccc(S(=O)(=O)Cl)c(C)c1 59103800 KWTWNEMIFOJMOJ-UHFFFAOYSA-N 261.730 2.271 70 40 CEIB CC(C)n1ncc(S(=O)(=O)Cl)c1Br 216303492 XVYFQPLTJMWFDK-UHFFFAOYSA-N 287.566 2.154 70 40 CEIB CC(C)COc1ccc(C(=O)O)cc1S(=O)(=O)Cl 59095888 FJQQGNDCVXPJIP-UHFFFAOYSA-N 292.740 2.347 70 40 CEIB COc1ccccc1CCCNC(=O)[C@@H]1CCCN(C)C1 216912236 KGTACBSLFGRNSW-OAHLLOKOSA-N 290.407 2.086 70 40 CEIB Cc1ccc(C(=O)On2nnc3ccccc32)cc1 8438884 ZTRKHYZIHCATRE-UHFFFAOYSA-N 253.261 2.009 70 40 CEIB COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2C)C1 217551561 YNWZESVJGUQATI-GFCCVEGCSA-N 293.388 2.116 70 40 CEIB CCOC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F 59262179 RRSYVSDENVHJBH-UHFFFAOYSA-N 284.667 2.069 70 40 CEIB O=S(=O)(Cl)c1c[nH]c2cnc(Cl)cc12 953057822 AAUPEOGYOZMKGJ-UHFFFAOYSA-N 251.094 2.144 70 40 CEIB Fc1ccccc1Cn1cc([C@@H]2OCCS2)nn1 216749832 NXGJFWKATAXQJW-GFCCVEGCSA-N 265.313 2.228 70 40 CEIB CCCOCc1c(S(=O)(=O)Cl)cnn1C(C)C 408716282 KWPUTAIOGVWNRA-UHFFFAOYSA-N 280.777 2.318 70 40 CEIB O[C@@]12C[C@H]3C[C@@H](C1)C[C@](NCc1ccccn1)(C3)C2 217941904 FTCUIWWMJSNFKT-UPUJQMMVSA-N 258.365 2.255 70 40 CEIB Cc1ccccc1-n1cc(S(=O)(=O)Cl)cn1 59312431 YTMWMVDJOVJLAT-UHFFFAOYSA-N 256.714 2.108 70 40 CEIB CCCCn1nc(C)c(S(=O)(=O)Cl)c1C 103116060 FGSCYUWHSPGCHO-UHFFFAOYSA-N 250.751 2.228 70 40 CEIB O=CN1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 216661745 PIQGDYLNFKNHDD-LLVKDONJSA-N 275.283 2.212 70 40 CEIB CCCCOCc1c(S(=O)(=O)Cl)cnn1CCF 408716194 JXRPFAPIMSXIDU-UHFFFAOYSA-N 298.767 2.097 70 40 CEIB Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cl)o2)cc1 105970375 GQCNSGLNCOBFRC-UHFFFAOYSA-N 282.708 2.449 70 40 CEIB O=C(Nc1ccccc1)N1CCc2ncncc2C1 218067060 KIRKVICCMRZCNM-UHFFFAOYSA-N 254.293 2.067 70 40 CEIB Cc1csc(C(=O)NCC[C@H](O)c2cccn2C)c1 217932068 KYVCAAFWOHQMGS-LBPRGKRZSA-N 278.377 2.249 70 40 CEIB Cn1ccc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)n1 160069668 ULTOHJZARNLYHP-UHFFFAOYSA-N 296.334 2.309 70 40 CEIB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(C)C1 216910538 VBIPMXKLOBSNLC-HOCLYGCPSA-N 274.408 2.466 70 40 CEIB Cc1cc(-c2ccc(S(=O)(=O)Cl)s2)[nH]n1 100104743 AOPNZZSYOYSQFK-UHFFFAOYSA-N 262.743 2.374 70 40 CEIB CCc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2(C)C 103582428 XEODSCMMRITZIE-UHFFFAOYSA-N 287.768 2.406 70 40 CEIB O=S(=O)(Cl)c1cc2cnccc2nc1Cl 100034617 WQTADZZTBSAPRY-UHFFFAOYSA-N 263.105 2.211 70 40 CEIB O=[N+]([O-])c1cc(S(=O)(=O)F)cc(Cl)c1S 104162073 VUXLAZKONXNRCY-UHFFFAOYSA-N 271.678 2.195 70 40 CEIB CC(C)OCc1nn(C(C)C)cc1S(=O)(=O)Cl 408715482 SBYUMDXNCRDIAA-UHFFFAOYSA-N 280.777 2.317 70 40 CEIB CC[C@@H](C)OC(=O)Cc1cc(OC)c(OC)cc1N 217675365 HPCUFXRCZLNUQG-SECBINFHSA-N 267.325 2.170 70 40 CEIB Cc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCCN(C)C2)cc1 216917540 AORCLLPVKYNSPA-CABCVRRESA-N 290.407 2.220 70 40 CEIB CCCOc1ccc(C(=O)O)cc1S(=O)(=O)Cl 59095896 SOJAAFHLFBEBPL-UHFFFAOYSA-N 278.713 2.101 70 40 CEIB C[SiH]1O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 195752273 CLTMUXYRYKDGOK-UHFFFAOYSA-N 282.593 2.022 70 40 CEIB in-vitro O=C(NCCSC1CCOCC1)c1cccs1 217699119 NSFJJIUPFMFHEU-UHFFFAOYSA-N 271.407 2.390 70 40 CEIB O=S(=O)(Cl)c1cnn(-c2ccc(F)cc2F)c1 59312408 KWHIYYOCZSZCIS-UHFFFAOYSA-N 278.667 2.078 70 40 CEIB N=C(N)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 217358791 LQEUPXLAHCVXBG-SNVBAGLBSA-N 265.744 2.128 70 40 CEIB Cc1n[nH]c(-c2ccc(S(=O)(=O)Cl)o2)c1C 100104761 ZEPDBIOWIYLFTH-UHFFFAOYSA-N 260.702 2.214 70 40 CEIB CC[C@H](C)OC(=O)Cc1cc(OC)c(OC)cc1N 217675452 HPCUFXRCZLNUQG-VIFPVBQESA-N 267.325 2.170 70 40 CEIB CCOc1ccc(CNC(=O)[C@@H]2CCCN(C)C2)cc1 216913229 OIQIAEXRECGTHN-CQSZACIVSA-N 276.380 2.043 70 40 CEIB CN1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 216921761 VJNHQKAZJMTHDI-UHFFFAOYSA-N 278.371 2.216 70 40 CEIB O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Cl)c2c1 100631065 VGKGKKNGEOHQKM-UHFFFAOYSA-N 260.658 2.004 70 40 CEIB CC[C@H](C)OCc1nn(CCF)cc1S(=O)(=O)Cl 408715378 LKTQTYWIHQQRMP-QMMMGPOBSA-N 298.767 2.095 70 40 CEIB Cc1ccccc1-c1nnc(C2CCN(C=O)CC2)o1 216639872 XZIAOGUCVASEAE-UHFFFAOYSA-N 271.320 2.381 70 40 CEIB Cc1ccc(CC(=O)NCCC2CCN(C)CC2)cc1 217020539 KPMAWGYNQYWUKH-UHFFFAOYSA-N 274.408 2.386 70 40 CEIB C=CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)Cl)ccc21 103582438 XVGUTWINXNDILZ-UHFFFAOYSA-N 299.779 2.424 70 40 CEIB Cn1ccc(-c2ccccc2S(=O)(=O)Cl)n1 100222431 DWMIZWPEPRMNDF-UHFFFAOYSA-N 256.714 2.015 70 40 CEIB Cc1cc(N2CCC[C@@H]2CN2CCCCC2)ncn1 160439986 OMFNGHSAHZHIFC-CQSZACIVSA-N 260.385 2.240 70 40 CEIB O=C(Nc1ccc(S(=O)(=O)Cl)c(F)c1)C1CC1 100506576 HBCPWRUZQDEUDP-UHFFFAOYSA-N 277.704 2.102 70 40 CEIB Cc1cc(C(=O)NCC[C@H](O)c2cccn2C)c(C)o1 217931886 UQILLWFGCLCSIU-AWEZNQCLSA-N 276.336 2.088 70 40 CEIB CCc1cc2c(c(S(=O)(=O)Cl)c1)NC(=O)C2(C)C 103582448 HYPBJBLHMFMCAI-UHFFFAOYSA-N 287.768 2.406 70 40 CEIB N#Cc1cc(Br)cc(S(=O)(=O)Cl)c1 100443743 RDXIVSGVEAXENI-UHFFFAOYSA-N 280.530 2.248 70 40 CEIB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)OC(C)(C)C 217457008 NEAXMIVRHCSYFA-NSHDSACASA-N 281.356 2.335 70 40 CEIB CS(=O)(=O)N1CCCC[C@H](c2ccccc2)C1 217288232 ZQJOYZZTKMFMKC-ZDUSSCGKSA-N 253.367 2.216 70 40 CEIB Cn1cccc1[C@@H](O)CCNC(=O)Nc1cccs1 217949629 DFMROFMNZYZQLA-NSHDSACASA-N 279.365 2.332 70 40 CEIB CN1CCC[C@H](C(=O)NCCCSCc2ccco2)C1 216916550 OOJAKLBQZDLNBU-ZDUSSCGKSA-N 296.436 2.361 70 40 CEIB COc1ccc(-c2oncc2S(=O)(=O)Cl)cc1 97952700 ZKGLLKMYUBKDIW-UHFFFAOYSA-N 273.697 2.278 70 40 CEIB O=C1CCc2cc(Cl)c(S(=O)(=O)Cl)cc2N1 100571798 ZQKIWEZDMUNODX-UHFFFAOYSA-N 280.132 2.152 70 40 CEIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccoc1 218164957 YDXSUTLIGARQCO-NSHDSACASA-N 291.376 2.383 70 40 CEIB COc1ccc(S(=O)(=O)Cl)cc1OC(F)F 100102865 DASGJSDUROXRLX-UHFFFAOYSA-N 272.656 2.224 70 40 CEIB COCc1nn(C2CCCC2)cc1S(=O)(=O)Cl 408715182 DLLAFJAXRXVDOR-UHFFFAOYSA-N 278.761 2.072 70 40 CEIB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(C)C1 216910505 VBIPMXKLOBSNLC-GDBMZVCRSA-N 274.408 2.466 70 40 CEIB CC(C)CC(=O)Nc1ncc(S(=O)(=O)Cl)s1 110749480 CJRMYDOYGFJODT-UHFFFAOYSA-N 282.774 2.055 70 40 CEIB CN(C)CCNC(=O)[C@@]12CCC3C[C@@H](C[C@@H](C3)C1)C2 217457914 PABAGPRZQGATPH-BLCNCEAHSA-N 264.413 2.271 70 40 CEIB Cc1cc(OCCCC(=O)O)ccc1S(=O)(=O)Cl 100660648 ZOXDPOBKVDXZNO-UHFFFAOYSA-N 292.740 2.166 70 40 CEIB COc1ccc(S(=O)(=O)Cl)c(-c2ncco2)c1 218801317 JPNNKDIWBJHQIJ-UHFFFAOYSA-N 273.697 2.278 70 40 CEIB CC(C)C(=O)Nc1ccc(S(=O)(=O)Cl)cc1 100571136 NEGMKGRTTKHKFH-UHFFFAOYSA-N 261.730 2.209 70 40 CEIB O=S(=O)(Cl)c1c[nH]c2nccc(Br)c12 100590684 WAAMDGXSQBWXPC-UHFFFAOYSA-N 295.545 2.253 70 40 CEIB in-vitro COC(C)(C)CCOC(=O)Cc1ccc(C)cc1N 217776161 MRMBKLHFNJNJEI-UHFFFAOYSA-N 265.353 2.478 70 40 CEIB [N-]=[N+]=NC(=O)N[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 2087110514 PUZMYGTWHLWXJJ-ZCFIWIBFSA-N 281.222 2.090 70 40 CEIB CC1CC(COc2ncccc2S(=O)(=O)Cl)C1 256053541 RVUJBAFYETZVCY-UHFFFAOYSA-N 275.757 2.434 70 40 CEIB CCOc1ccc(S(=O)(=O)Cl)c(F)c1F 103624783 OKFHCUSEFPDMLX-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB N=C(N)C1CCN(C(=O)c2ccccc2Cl)CC1 217356818 NTDWRCMEYGFTIO-UHFFFAOYSA-N 265.744 2.128 70 40 CEIB Cc1cc(OC[C@@H]2CCCO2)ccc1S(=O)(=O)Cl 59108075 CVVUPNAYMONYOW-NSHDSACASA-N 290.768 2.480 70 40 CEIB in-vitro Cc1ccc(C)c(C(=O)NCC[C@H](O)C2CCOCC2)c1 217914940 OEJAKBGQTJMXMD-INIZCTEOSA-N 291.391 2.211 70 40 CEIB CC(C)OC(=O)CCCNC(=O)N1CCCCCC1 160102457 TZZBKDIAGCNMBF-UHFFFAOYSA-N 270.373 2.304 70 40 CEIB CC(C)n1cc(S(=O)(=O)Cl)c(C(F)F)n1 408717243 XITLTBOKTICGCW-UHFFFAOYSA-N 258.677 2.329 70 40 CEIB CCCOc1nn(CCC)cc1S(=O)(=O)Cl 585128388 WPENGXALCQQYEX-UHFFFAOYSA-N 266.750 2.009 70 40 CEIB CCCCN1CCC(OS(=O)(=O)C(F)(F)F)CC1 110753657 OJMXOHWBSFLPQH-UHFFFAOYSA-N 289.319 2.117 70 40 CEIB C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1cccs1 217581787 UQKLIPFMCMMOHY-NNTXTVRGSA-N 277.345 2.378 70 40 CEIB CCOC(=O)c1ccc(=O)n(Cc2ccccc2)c1C 218272103 MILXINHHRBZRBD-UHFFFAOYSA-N 271.316 2.382 70 40 CEIB CCCOc1ccc(S(=O)(=O)Cl)cc1NC(C)=O 103635786 JNXGSLAWDCPYIK-UHFFFAOYSA-N 291.756 2.361 70 40 CEIB O=C(c1ccc(S(=O)(=O)Cl)cc1)N1CCCCC1 100596714 HJYMYTAVLPDIBB-UHFFFAOYSA-N 287.768 2.240 70 40 CEIB Cc1ccc(-c2nnc(C3CCN(C=O)CC3)o2)cc1 216640088 DVWVZIHADBRWMI-UHFFFAOYSA-N 271.320 2.381 70 40 CEIB O=C(CS(=O)(=O)Cl)c1ccc(Cl)cc1 100860480 KONOCVUVQUSVII-UHFFFAOYSA-N 253.106 2.091 70 40 CEIB CCCCCCn1cc(S(=O)(=O)Cl)cn1 103115905 JAXHCTCPKMUSBN-UHFFFAOYSA-N 250.751 2.391 70 40 CEIB CC[C@H]1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 217473171 QICWTTPDBYAQDL-SSDOTTSWSA-N 259.714 2.060 70 40 CEIB C[C@H]1CC[C@H]1COc1ccc(S(=O)(=O)Cl)cn1 256052477 NLVUUOXEQKMWIF-IUCAKERBSA-N 275.757 2.434 70 40 CEIB COc1c(Cl)ccc(S(=O)(=O)Cl)c1F 103624772 IODDOHBILDLMNP-UHFFFAOYSA-N 259.085 2.415 70 40 CEIB Cc1ccnc(N2CCC[C@H]2CN2CCCCC2)n1 160440410 QXODXVKJEPAOSH-AWEZNQCLSA-N 260.385 2.240 70 40 CEIB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)OC(C)(C)C 217457100 NEAXMIVRHCSYFA-LLVKDONJSA-N 281.356 2.335 70 40 CEIB Cn1ccnc1CN1CCC[C@@H](c2nccs2)C1 160892368 ZKCXGSZJHMBION-LLVKDONJSA-N 262.382 2.256 70 40 CEIB O=S(=O)(F)Nc1ccccc1Br 1776011261 XKHGZUZLNLUPOZ-UHFFFAOYSA-N 254.080 2.075 70 40 CEIB COc1ccc2ccc(OC)c(-c3nnc(N)o3)c2c1 216825766 HVNGLMCROLLUNY-UHFFFAOYSA-N 271.276 2.489 70 40 CEIB Cn1cc(C(=O)NCC2(c3ccsc3)CCCC2)nn1 217582706 KMIIMLZRMFWFFN-UHFFFAOYSA-N 290.392 2.118 70 40 CEIB Cn1cccc1[C@H](O)CCNC(=O)/C=C/c1ccccc1 217932459 HUGZMRJRQHLJIJ-ZNFPLGDCSA-N 284.359 2.278 70 40 CEIB CC[C@@H](C)OCc1nn(CCF)cc1S(=O)(=O)Cl 408715374 LKTQTYWIHQQRMP-MRVPVSSYSA-N 298.767 2.095 70 40 CEIB O=C(N1CCOCC1)[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2 217773145 CNZMPJKXHVCMIY-FXDBZKHDSA-N 263.381 2.452 70 40 CEIB COc1cccc(Cn2cc([C@H]3OCCS3)nn2)c1 216750680 PUYWKVZBQWPLPJ-ZDUSSCGKSA-N 277.349 2.097 70 40 CEIB O=S(=O)(Cl)CCCN1CCc2ccccc2C1 110752667 NAOFOMVFDXALRU-UHFFFAOYSA-N 273.785 2.003 70 40 CEIB Cc1ccn(-c2ccc(S(=O)(=O)Cl)cc2)n1 100908801 UEROTPWNYPMFOA-UHFFFAOYSA-N 256.714 2.108 70 40 CEIB Cc1nnc(-c2ccc(C)c(S(=O)(=O)Cl)c2)o1 100485098 KGYVSKFECNAYRN-UHFFFAOYSA-N 272.713 2.281 70 40 CEIB CN1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1 216916523 OOJAKLBQZDLNBU-CYBMUJFWSA-N 296.436 2.361 70 40 CEIB Cc1cnc([C@@H](C)CNC(=O)Nc2ncco2)s1 159864712 AMBLGSAYXWKDNR-ZETCQYMHSA-N 266.326 2.365 70 40 CEIB O=C(Nc1ccn2nccc2c1)c1noc2c1CCCC2 217957377 JUJVFOXEKIODIH-UHFFFAOYSA-N 282.303 2.453 70 40 CEIB CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)CNC 161259775 XAVMBLCNHPHSNZ-CABCVRRESA-N 260.381 2.309 70 40 CEIB CCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O 101814360 AEADPYSAWUEPDF-UHFFFAOYSA-N 278.713 2.101 70 40 CEIB CN1CCC(CC(=O)N2CCCC(C)(C)C2)CC1 216900873 IFEYROJARNHATP-UHFFFAOYSA-N 252.402 2.367 70 40 CEIB Cc1cc(C)n(-c2nn3c(C(F)(F)F)nnc3s2)n1 216755779 IWPGCPGQUDEMJU-UHFFFAOYSA-N 288.258 2.007 70 40 CEIB COCC1(c2ccc(S(=O)(=O)Cl)cc2)CC1 110753754 SWYVXMQPXVMZLM-UHFFFAOYSA-N 260.742 2.292 70 40 CEIB COC(=O)c1cc(C)c(C)c(S(=O)(=O)Cl)c1 59265859 GOUDIFHDJZFWQI-UHFFFAOYSA-N 262.714 2.018 70 40 CEIB in-vitro CS(=O)(=O)Nc1ccccc1-c1cn2ccsc2n1 218646392 AFFOKQBAZFBREI-UHFFFAOYSA-N 293.373 2.434 70 40 CEIB Cn1nccc1C(=O)Oc1c(F)c(F)c(F)c(F)c1F 100047436 LFLXSDHHZKOTLP-UHFFFAOYSA-N 292.163 2.335 70 40 CEIB O=S(=O)(Cl)c1ccc2[nH]nc(Br)c2c1 675081534 GTLVUVRSRVJZMI-UHFFFAOYSA-N 295.545 2.253 70 40 CEIB CN1CCC(NC(=O)CSCc2ccc(F)cc2)CC1 217019169 VGBNLJXRHPMYRC-UHFFFAOYSA-N 296.411 2.269 70 40 CEIB CCOc1c(F)cc(S(=O)(=O)Cl)cc1F 103624788 MRPJJNCSODVTCL-UHFFFAOYSA-N 256.657 2.291 70 40 CEIB CN(C)C(=S)Oc1ccc(S(=O)(=O)F)cc1Cl 95850928 JOEWTFJELQDOOP-UHFFFAOYSA-N 297.760 2.224 70 40 CEIB O=S(=O)(Cl)c1c[nH]c2cncc(Br)c12 725245042 DWIAZIRHTQNGGR-UHFFFAOYSA-N 295.545 2.253 70 40 CEIB Cc1cc(C)n(Cc2cccc(S(=O)(=O)Cl)c2)n1 103603355 ROQOWIWVNZTSEE-UHFFFAOYSA-N 284.768 2.476 70 40 CEIB COc1ccccc1-c1nnc(C2CCN(C=O)CC2)o1 216640301 JIDOSIIOVDCJEZ-UHFFFAOYSA-N 287.319 2.081 70 40 CEIB Cc1c(F)cccc1OS(=O)(=O)C(F)(F)F 248121648 SEQVPGJHKNHDLS-UHFFFAOYSA-N 258.192 2.363 70 40 CEIB Fc1cnc(N2CCC[C@H]2CN2CCCCC2)nc1 160444305 COAVKWUHMBGAFN-ZDUSSCGKSA-N 264.348 2.070 70 40 CEIB