smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)CCN[C@H](C)c1cscn1 161132668 AIULZZPKJMXRFX-SECBINFHSA-N 198.335 2.840 70 20 AFID Cc1ccc(NC(=O)C(F)F)c(C)c1 217593860 QBXXUFXFBUBOAC-UHFFFAOYSA-N 199.200 2.507 70 20 AFID CCC(CC)Nc1ncccc1OC 159468998 KDWKWFGGLLHCIZ-UHFFFAOYSA-N 194.278 2.691 70 20 AFID C1=CCC(Nc2nc3ccccc3[nH]2)C1 160556326 UOJFLRJCPXDIJW-UHFFFAOYSA-N 199.257 2.693 70 20 AFID Cc1cccc(NC(=O)C(F)F)c1C 217593741 LAOPFVMERXIERZ-UHFFFAOYSA-N 199.200 2.507 70 20 AFID CC(C)[C@H](C)N[C@H](C)c1cscn1 161143259 VGRUCYKYOUXZBO-DTWKUNHWSA-N 198.335 2.838 70 20 AFID Cn1ccc(CNCCC(C)(C)C)c1 160681754 HPTGUHHKKGNZKQ-UHFFFAOYSA-N 194.322 2.551 70 20 AFID Cc1ccc(CS[C@@H](C)CO)cc1 160733376 AKAIZDYTZGQKAV-JTQLQIEISA-N 196.315 2.609 70 20 AFID C[C@H](NCC(C)(C)C)c1cscn1 161169390 LNEIYLIVNVNGBG-QMMMGPOBSA-N 198.335 2.840 70 20 AFID CCC[C@H](C)NCc1ccncc1C 160595232 FHCFAKPRKJAQEG-NSHDSACASA-N 192.306 2.668 70 20 AFID CC[C@H](CSC)NCCC(C)C 217328412 RZNZZRFNWSRXPJ-SNVBAGLBSA-N 189.368 2.764 70 20 AFID C[C@H](N)c1ccc(C(F)F)cc1F 218476852 KJTZUOPRFPEYPX-YFKPBYRVSA-N 189.180 2.783 70 20 AFID Cc1cccc(-c2ccnn2C)c1C 217387621 FMRKJBUQEPHQTD-UHFFFAOYSA-N 186.258 2.704 70 20 AFID Cc1ccccc1CS[C@H](C)CO 160696114 XBKOLQGRRBDRCY-SNVBAGLBSA-N 196.315 2.609 70 20 AFID CCC(CC)CN[C@H]1CCO[C@H](C)C1 161303051 VXIZQNDWBTWDQO-PWSUYJOCSA-N 199.338 2.580 70 20 AFID CCC[C@@H]1[C@@H](C)CCCN1CCOC 217766024 OYPJIGIYBJCYCW-NWDGAFQWSA-N 199.338 2.533 70 20 AFID CCCCC[C@H](C)S(=O)(=O)Cl 106470391 XMCYPBHDMUSBJV-ZETCQYMHSA-N 198.715 2.524 70 20 AFID CO[C@@H]1CCCC[C@H]1N[C@@H](C)C(C)C 217983465 MCLVAIXVTDMMOW-QJPTWQEYSA-N 199.338 2.578 70 20 AFID COc1cccnc1NCC(C)(C)C 160215153 JJDPEPYIAWBNTK-UHFFFAOYSA-N 194.278 2.548 70 20 AFID CCC[C@H]1[C@@H](C)CCCN1CCOC 217766102 OYPJIGIYBJCYCW-RYUDHWBXSA-N 199.338 2.533 70 20 AFID CCCC(=O)NC[C@H]1CCC[C@H](C)C1 218007350 LPIIIJJCLABTNW-QWRGUYRKSA-N 197.322 2.729 70 20 AFID CCC(=O)c1cccc(C)c1F 161362953 YAGRBAXEJCYOKV-UHFFFAOYSA-N 166.195 2.727 70 20 AFID CC(C)CCN[C@@H](C)c1cscn1 161132530 AIULZZPKJMXRFX-VIFPVBQESA-N 198.335 2.840 70 20 AFID Cc1ccc(CN[C@@H](C)C2CCC2)o1 160179795 SOJGDISJNISNGR-JTQLQIEISA-N 193.290 2.866 70 20 AFID CCN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 218578461 YDFXMCPMZREVCH-OUAUKWLOSA-N 169.312 2.811 70 20 AFID Cc1cccc(CS[C@H](C)CO)c1 160699726 PETYNJUJYSVKKI-SNVBAGLBSA-N 196.315 2.609 70 20 AFID CC(C)CC[C@@H]1CCCN1C(=O)O 217671020 NYFCFNAKZKCSQH-VIFPVBQESA-N 185.267 2.565 70 20 AFID CCN[C@@H](C)[C@H]1CCC[C@@H](C)C1 218578596 YDFXMCPMZREVCH-VWYCJHECSA-N 169.312 2.811 70 20 AFID CCC(CC)CN[C@H]1CCCOCC1 161439390 CUMACRVYNWQZRY-LBPRGKRZSA-N 199.338 2.581 70 20 AFID Cc1cnc(NCCC(C)(C)C)nc1 160422187 BVZRGWWVKWGQQT-UHFFFAOYSA-N 193.294 2.633 70 20 AFID CC[C@H](C)CNC[C@@H](C)C1CC1 161495869 XXGXQPAOZUISLV-VHSXEESVSA-N 169.312 2.668 70 20 AFID CCOC(=O)[C@H](C)C(CC)CC 218488806 PNPDLSQFHMGIAK-MRVPVSSYSA-N 172.268 2.622 70 20 AFID CCCCCN[C@@H](C)c1cscn1 161134366 RZMKPRYYGVJAOW-VIFPVBQESA-N 198.335 2.984 70 20 AFID CC[C@H](C)CNc1ncccc1OC 159451280 BZSSLJNYMLJPNZ-VIFPVBQESA-N 194.278 2.548 70 20 AFID CCCCCNCc1ccncc1C 160589883 ATKRZRVFQZYNRX-UHFFFAOYSA-N 192.306 2.670 70 20 AFID CCC[C@@H](C)NCc1ccncc1C 160595139 FHCFAKPRKJAQEG-LLVKDONJSA-N 192.306 2.668 70 20 AFID C[C@H](NCC1CCC1)c1cscn1 161173245 VZWHDNJOFUBINH-QMMMGPOBSA-N 196.319 2.594 70 20 AFID CCCCN(CC)C1CCC1 218312515 UKSDKVUQJVQFKT-UHFFFAOYSA-N 155.285 2.661 70 20 AFID CCC[C@H](C)N(C)CC(C)C 218365776 VDHRWIGCKNFOPQ-JTQLQIEISA-N 157.301 2.763 70 20 AFID C[C@H](NC(=O)OC(C)(C)C)C1CCC1 160108405 CFMMYNUXGSKKON-QMMMGPOBSA-N 199.294 2.700 70 20 AFID CCOCCOc1cccc(C)c1C 217799455 SMJOIWZIAVDACU-UHFFFAOYSA-N 194.274 2.719 70 20 AFID CCCCCNc1ncccc1OC 160195725 UWMRTWJTNYJKCG-UHFFFAOYSA-N 194.278 2.692 70 20 AFID COc1cccnc1N[C@@H](C)C(C)C 159464911 BCNHXMNOHOFKIG-VIFPVBQESA-N 194.278 2.547 70 20 AFID C[C@@H](NC(=O)OC(C)(C)C)C1CCC1 160108540 CFMMYNUXGSKKON-MRVPVSSYSA-N 199.294 2.700 70 20 AFID CC[C@@H](C)CN[C@@H](C)CCSC 161508942 BBOKQHJXGNXIEU-ZJUUUORDSA-N 189.368 2.764 70 20 AFID CCCC(C)(C)NCc1ccn(C)c1 160684015 UFBPTKDHDPRJBL-UHFFFAOYSA-N 194.322 2.693 70 20 AFID Cc1ccccc1CS[C@@H](C)CO 160695993 XBKOLQGRRBDRCY-JTQLQIEISA-N 196.315 2.609 70 20 AFID Cc1ccoc1CN[C@@H](C)C1CCC1 160178432 PNAOODZCBHKUMX-JTQLQIEISA-N 193.290 2.866 70 20 AFID C[C@H](N[C@H](C)C1CC1)c1cscn1 161144172 PCUVZHWGNMTHJU-SFYZADRCSA-N 196.319 2.592 70 20 AFID CS[C@@H]1CCC[C@@H](C)C1 217348698 YCDCGJQDVJYIAB-HTQZYQBOSA-N 144.283 2.928 70 20 AFID CC1CCC(N(C)CC2CC2)CC1 218533482 ZRBDRYNUGMCAKJ-UHFFFAOYSA-N 181.323 2.907 70 20 AFID CC(C)c1ccc([B-](F)(F)F)cc1 203319839 BIPDZDMKQNLIGN-UHFFFAOYSA-N 186.993 2.864 70 20 AFID CC[C@@H]1CCCN(CC(F)(F)F)C1 217793653 AVGKJJMDPQWFAL-MRVPVSSYSA-N 195.228 2.671 70 20 AFID COc1cccnc1N[C@H](C)C(C)C 159464792 BCNHXMNOHOFKIG-SECBINFHSA-N 194.278 2.547 70 20 AFID Cc1cccc(CS[C@@H](C)CO)c1 160699641 PETYNJUJYSVKKI-JTQLQIEISA-N 196.315 2.609 70 20 AFID C[C@H](OC(=O)C1CC1)c1ccccc1 217442773 JHPSUGGOCCELLA-VIFPVBQESA-N 190.242 2.701 70 20 AFID CS[C@@H]1CCC[C@H](C)C1 217348764 YCDCGJQDVJYIAB-JGVFFNPUSA-N 144.283 2.928 70 20 AFID Cc1ncn([C@@H]2C=CCCC2)c1C 161183451 CRLZKYHCCCTAHC-LLVKDONJSA-N 176.263 2.781 70 20 AFID CC(C)Nc1ncccc1OC(C)C 159461534 YTDDBPJKRVSNRC-UHFFFAOYSA-N 194.278 2.689 70 20 AFID CCC[C@@H](C)N[C@H](C)c1cscn1 161126616 FWJYAEHRSALBMQ-RKDXNWHRSA-N 198.335 2.982 70 20 AFID CC[C@@H](C)CNC[C@@H](C)C1CC1 161495790 XXGXQPAOZUISLV-NXEZZACHSA-N 169.312 2.668 70 20 AFID CCC(CC)CN[C@H]1CCO[C@@H](C)C1 161303278 VXIZQNDWBTWDQO-JQWIXIFHSA-N 199.338 2.580 70 20 AFID CC(C)[C@H](C)N[C@@H](C)c1cscn1 161142995 VGRUCYKYOUXZBO-IUCAKERBSA-N 198.335 2.838 70 20 AFID Cc1cc(C)cc(NC(=O)C(F)F)c1 217627245 BJMMIYKTAVSOCW-UHFFFAOYSA-N 199.200 2.507 70 20 AFID CCC(CC)CN[C@@H]1CCCOCC1 161439254 CUMACRVYNWQZRY-GFCCVEGCSA-N 199.338 2.581 70 20 AFID C[C@@H](Nc1cccc(F)n1)C1CCC1 160057543 ALWHWFQMYCIUDJ-MRVPVSSYSA-N 194.253 2.821 70 20 AFID Fc1cccc(OCC2CC2)c1F 218590890 AHLDTUILPKPJDO-UHFFFAOYSA-N 184.185 2.754 70 20 AFID CC[C@H](C)OC(=O)CC(C)(C)C 218484307 VQGUGGCMDCKCOO-QMMMGPOBSA-N 172.268 2.764 70 20 AFID Cc1ccnc(N[C@@H](C)C2CCC2)c1 160057691 WKOJSCQSNIIGBE-JTQLQIEISA-N 190.290 2.991 70 20 AFID C[C@H](CO)SCC1CCCCC1 160709038 DYOPKJNDXABTBB-SECBINFHSA-N 188.336 2.681 70 20 AFID CCC(CC)CN[C@@H]1CCO[C@@H](C)C1 161303185 VXIZQNDWBTWDQO-CMPLNLGQSA-N 199.338 2.580 70 20 AFID Cc1ccc(CS[C@H](C)CO)cc1 160733499 AKAIZDYTZGQKAV-SNVBAGLBSA-N 196.315 2.609 70 20 AFID C[C@H](Nc1ncccc1F)C1CCC1 160072710 HCOACXYRURQROV-QMMMGPOBSA-N 194.253 2.821 70 20 AFID CSCCCn1ccnc1C(C)C 160398851 QZNNYJSYOPDMAI-UHFFFAOYSA-N 198.335 2.760 70 20 AFID CCC[C@@H](CC)C(=O)N(CC)CC 218483790 XJNSCYNFSMIYHD-SNVBAGLBSA-N 185.311 2.681 70 20 AFID CCSCC[C@@H](C)NCC(C)C 161061228 XRDDPMGFDLVYRB-SNVBAGLBSA-N 189.368 2.764 70 20 AFID C[C@H](Nc1cccc(F)n1)C1CCC1 160057419 ALWHWFQMYCIUDJ-QMMMGPOBSA-N 194.253 2.821 70 20 AFID C[C@@H](OC(=O)C1CC1)c1ccccc1 217442855 JHPSUGGOCCELLA-SECBINFHSA-N 190.242 2.701 70 20 AFID CCCC(=O)NC[C@H]1CCC[C@@H](C)C1 218007175 LPIIIJJCLABTNW-MNOVXSKESA-N 197.322 2.729 70 20 AFID CCc1ccc(-c2ccnn2C)cc1 217783283 OAGDSXTWEQDTNP-UHFFFAOYSA-N 186.258 2.650 70 20 AFID CS[C@H]1CCC[C@H](C)C1 217348620 YCDCGJQDVJYIAB-YUMQZZPRSA-N 144.283 2.928 70 20 AFID CCCC(=O)NC[C@@H]1CCC[C@@H](C)C1 218007094 LPIIIJJCLABTNW-GHMZBOCLSA-N 197.322 2.729 70 20 AFID CCCC(=O)NC[C@@H]1CCC[C@H](C)C1 218007265 LPIIIJJCLABTNW-WDEREUQCSA-N 197.322 2.729 70 20 AFID CS[C@H]1CCC[C@@H](C)C1 217348546 YCDCGJQDVJYIAB-SFYZADRCSA-N 144.283 2.928 70 20 AFID C[C@@H](N[C@H](C)C1CC1)c1cscn1 161144298 PCUVZHWGNMTHJU-HTQZYQBOSA-N 196.319 2.592 70 20 AFID C[C@@H](NCC(C)(C)C)c1cscn1 161169524 LNEIYLIVNVNGBG-MRVPVSSYSA-N 198.335 2.840 70 20 AFID C[C@@H](CO)SCC1CCCCC1 160708919 DYOPKJNDXABTBB-VIFPVBQESA-N 188.336 2.681 70 20 AFID CCC(CC)CNc1ncc(C)cn1 160425444 UMXXNODBBZESGJ-UHFFFAOYSA-N 193.294 2.633 70 20 AFID C[C@@H](Nc1ncccc1F)C1CCC1 160072823 HCOACXYRURQROV-MRVPVSSYSA-N 194.253 2.821 70 20 AFID CCC[C@@H](C)N[C@@H](C)c1cscn1 161126360 FWJYAEHRSALBMQ-BDAKNGLRSA-N 198.335 2.982 70 20 AFID CCC(CC)Cn1cnc(C)c1C 161047153 HTAVYXUKAOCPTK-UHFFFAOYSA-N 180.295 2.936 70 20 AFID C[C@H](N[C@@H](C)C1CC1)c1cscn1 161143890 PCUVZHWGNMTHJU-YUMQZZPRSA-N 196.319 2.592 70 20 AFID CN(CC1CCC1)C(C)(C)C 217753872 IAZBMYONKCJTQW-UHFFFAOYSA-N 155.285 2.517 70 20 AFID CCCN(CCC1CC1)C(C)C 217956581 UKZYMLMPDCJMJJ-UHFFFAOYSA-N 169.312 2.907 70 20 AFID CCC[C@H](C)N[C@@H](C)c1cscn1 161126496 FWJYAEHRSALBMQ-IUCAKERBSA-N 198.335 2.982 70 20 AFID CC(C)c1nc(C2CCCC2)no1 218587767 BTTZEJQRQIAJPQ-UHFFFAOYSA-N 180.251 2.851 70 20 AFID CCC[C@@H](C)N(C)CC(C)C 218365705 VDHRWIGCKNFOPQ-SNVBAGLBSA-N 157.301 2.763 70 20 AFID CCCN[C@H](C)C1(OC)CCCCC1 160401897 XTDXMXZLKCDUKJ-LLVKDONJSA-N 199.338 2.724 70 20 AFID Cc1ccnc(N[C@H](C)C2CCC2)c1 160057818 WKOJSCQSNIIGBE-SNVBAGLBSA-N 190.290 2.991 70 20 AFID CC[C@@H](C)CN[C@H](C)CCSC 161509183 BBOKQHJXGNXIEU-NXEZZACHSA-N 189.368 2.764 70 20 AFID CCOC(=O)[C@@H](C)C(CC)CC 218488874 PNPDLSQFHMGIAK-QMMMGPOBSA-N 172.268 2.622 70 20 AFID CCC(CC)CN[C@@H]1CCO[C@H](C)C1 161302930 VXIZQNDWBTWDQO-ZYHUDNBSSA-N 199.338 2.580 70 20 AFID CN(CC1CCCC1)C(C)(C)C 217754984 FPHCOJOLHBLVNJ-UHFFFAOYSA-N 169.312 2.907 70 20 AFID CC[C@H](C)CNC[C@H](C)C1CC1 161496110 XXGXQPAOZUISLV-UWVGGRQHSA-N 169.312 2.668 70 20 AFID Cc1ccc(NC(=O)C(F)F)cc1C 217607986 KWCXQNPUFCPWQX-UHFFFAOYSA-N 199.200 2.507 70 20 AFID CC[C@@H](CSC)NCCC(C)C 217328411 RZNZZRFNWSRXPJ-JTQLQIEISA-N 189.368 2.764 70 20 AFID CC(C)(C)OCCCCN1CCCC1 218439552 LUZSVNATKGTEMF-UHFFFAOYSA-N 199.338 2.678 70 20 AFID CC(C)[C@@H](C)N[C@H](C)c1cscn1 161143144 VGRUCYKYOUXZBO-RKDXNWHRSA-N 198.335 2.838 70 20 AFID CCC(CC)NCc1ccncc1C 160595011 VRQFVHCVXZMPGX-UHFFFAOYSA-N 192.306 2.668 70 20 AFID COc1cccnc1NCCC(C)C 160196281 XOOKIYNRUYYHGW-UHFFFAOYSA-N 194.278 2.548 70 20 AFID Fc1cccc(Cl)c1[B-](F)(F)F 219725938 JYAWWMTXYBLULZ-UHFFFAOYSA-N 197.347 2.534 70 20 AFID CCCCCCS[C@@H](C)CO 160755745 RHTFSAPJRSUDES-VIFPVBQESA-N 176.325 2.681 70 20 AFID Cc1cnccc1CNCCC(C)C 160593275 GSTBMYKXKZIBJZ-UHFFFAOYSA-N 192.306 2.526 70 20 AFID CCC[C@H](C)N[C@H](C)c1cscn1 161126759 FWJYAEHRSALBMQ-DTWKUNHWSA-N 198.335 2.982 70 20 AFID CC[C@@H](C)CNc1ncccc1OC 159451138 BZSSLJNYMLJPNZ-SECBINFHSA-N 194.278 2.548 70 20 AFID CCC[C@H](CC)C(=O)N(CC)CC 218483870 XJNSCYNFSMIYHD-JTQLQIEISA-N 185.311 2.681 70 20 AFID Cc1ccc(F)c(CN2CCCC2)c1 218773430 WZKOCNFRVOEANC-UHFFFAOYSA-N 193.265 2.730 70 20 AFID CC[C@@H](C)CNC[C@H](C)C1CC1 161495987 XXGXQPAOZUISLV-ZJUUUORDSA-N 169.312 2.668 70 20 AFID CC[C@@H](C)OC(=O)CC(C)(C)C 218473800 VQGUGGCMDCKCOO-MRVPVSSYSA-N 172.268 2.764 70 20 AFID CC(C)(C)CCN[C@@H]1CCCOCC1 161430136 VYCAYQKTTFEZJF-LLVKDONJSA-N 199.338 2.581 70 20 AFID CCCCC[C@@H](C)S(=O)(=O)Cl 106470389 XMCYPBHDMUSBJV-SSDOTTSWSA-N 198.715 2.524 70 20 AFID Cc1ncn([C@H]2C=CCCC2)c1C 161183336 CRLZKYHCCCTAHC-NSHDSACASA-N 176.263 2.781 70 20 AFID CCCCOC(=O)[C@@H](C)C(F)(F)F 218529690 WONBWFVZKVUURZ-ZCFIWIBFSA-N 198.184 2.528 70 20 AFID CCCN[C@@H](C)C1(OC)CCCCC1 160401783 XTDXMXZLKCDUKJ-NSHDSACASA-N 199.338 2.724 70 20 AFID Cc1ccc(CN(C)C(C)C)cc1 218418631 HEVBJMWRYZWYLZ-UHFFFAOYSA-N 177.291 2.835 70 20 AFID CCCOC(=O)c1c(C)cccc1C 217922526 SGWSHJOPBAICQN-UHFFFAOYSA-N 192.258 2.870 70 20 AFID CCSCC[C@H](C)NCC(C)C 161061330 XRDDPMGFDLVYRB-JTQLQIEISA-N 189.368 2.764 70 20 AFID Cc1ccc(CN[C@H](C)C2CCC2)o1 160179930 SOJGDISJNISNGR-SNVBAGLBSA-N 193.290 2.866 70 20 AFID CCCCCCS[C@H](C)CO 160755873 RHTFSAPJRSUDES-SECBINFHSA-N 176.325 2.681 70 20 AFID CC[C@H](C)CN[C@H](C)CCSC 161509302 BBOKQHJXGNXIEU-VHSXEESVSA-N 189.368 2.764 70 20 AFID Cc1ncoc1CNc1ccccc1 159423733 MTIWQGPTFYXETC-UHFFFAOYSA-N 188.230 2.595 70 20 AFID CCCCCN[C@H](C)c1cscn1 161134487 RZMKPRYYGVJAOW-SECBINFHSA-N 198.335 2.984 70 20 AFID CC[C@H](C)CN[C@@H](C)CCSC 161509068 BBOKQHJXGNXIEU-UWVGGRQHSA-N 189.368 2.764 70 20 AFID C[C@@H](NCC1CCC1)c1cscn1 161173383 VZWHDNJOFUBINH-MRVPVSSYSA-N 196.319 2.594 70 20 AFID CCCNC(C1CCC1)C1CCC1 161369078 KSJLFBFEIXBDCC-UHFFFAOYSA-N 181.323 2.955 70 20 AFID CCc1ccc(CNC2(C)CCC2)o1 160006086 HCXBENUBNOLNBY-UHFFFAOYSA-N 193.290 2.874 70 20 AFID C(=C\c1ccccc1)\Cn1cccn1 216870337 VIMKZAMFVXTIJE-YWEYNIOJSA-N 184.242 2.597 70 20 AFID C[C@H]1CN(CCC(C)(C)C)[C@@H](C)CO1 218469764 ZAVMMBLCNXXIQD-QWRGUYRKSA-N 199.338 2.532 70 20 AFID CCCCN(C)c1cccc(O)c1 216881506 GCKAQULVDJGLOZ-UHFFFAOYSA-N 179.263 2.629 70 20 AFID Cc1ccc(C)c(NC(=O)C(F)F)c1 217584775 IEJMVWYFOSCTTH-UHFFFAOYSA-N 199.200 2.507 70 20 AFID CC(C)[C@@H](C)N[C@@H](C)c1cscn1 161142862 VGRUCYKYOUXZBO-BDAKNGLRSA-N 198.335 2.838 70 20 AFID Cc1cnccc1CNCC(C)(C)C 160596711 PQKWIOSEFVSEPP-UHFFFAOYSA-N 192.306 2.526 70 20 AFID CC(C)(C)CCN[C@H]1CCCOCC1 161430244 VYCAYQKTTFEZJF-NSHDSACASA-N 199.338 2.581 70 20 AFID C[C@H](N[C@H](C)c1cscn1)C1CC1 161144022 PCUVZHWGNMTHJU-JGVFFNPUSA-N 196.319 2.592 70 20 AFID CC(C)c1cnc(N2CCCC2)s1 159472804 PLNIGBMUQOGFKN-UHFFFAOYSA-N 196.319 2.867 70 20 AFID Cc1cc2c(cc1F)NCC2(C)C 160364045 DWBQYKKURQIEDN-UHFFFAOYSA-N 179.238 2.837 70 20 AFID CCCCOC(=O)[C@H](C)C(F)(F)F 218529770 WONBWFVZKVUURZ-LURJTMIESA-N 198.184 2.528 70 20 AFID COCSc1nc2ccccc2o1 218048826 JZDLUZOKFZDMLM-UHFFFAOYSA-N 195.243 2.524 70 20 AFID