smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@H](/C(O)=N/c1ncn[nH]1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 84618875 OBXJFHGSNUSWSK-SSDOTTSWSA-N 364.305 2.425 70 1 FEIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 587562769 KJIFZAKXAAGZON-BJOHPYRUSA-N 369.830 2.160 70 1 FEIF Cc1cc(-c2nc3cc(C(=O)NN)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927571 HENPJPAXQIXNFA-UHFFFAOYSA-N 364.814 2.069 70 1 FEIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(N)ncnc2[nH]1 586928162 QNFDZHZTUQPRIB-UHFFFAOYSA-N 374.209 2.192 70 1 FEIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2O)NCCc2ccc(O)cc21 963341175 MCWHDDDZDCALCE-MRXNPFEDSA-N 353.827 2.435 70 1 FEIF O=S(=O)(Cl)c1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CC2 587563734 WMOMENSQNNSZFZ-UHFFFAOYSA-N 363.782 2.129 70 1 FEIF NNC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2c1 587178093 PQNSLQDLSSIWNX-UHFFFAOYSA-N 368.777 2.145 70 1 FEIF CCc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1S(=O)(=O)Cl 586927770 RHNMXBUAXHRRMU-UHFFFAOYSA-N 372.797 2.253 70 1 FEIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(O)nc(N)nc3[nH]2)c1Cl 586928581 DNZLEAGIXGIXAO-UHFFFAOYSA-N 374.209 2.197 70 1 FEIF C[C@@H](C(=O)NOCC1CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 84559265 SWCXKMPKLHGBFL-SECBINFHSA-N 367.345 2.476 70 1 FEIF CC1(C)Oc2ccc(Br)cc2[C@]2(COC(N)=N2)C12COC2 218001653 BFCFOLFRUMYREH-OAHLLOKOSA-N 353.216 2.177 70 1 FEIF C[C@]1(c2cccc(S(=O)(=O)F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962895796 IRNRKLNMXDEBCP-DOTOQJQBSA-N 367.373 2.346 70 1 FEIF CCOc1ccc2sc(S(C)(=O)=O)nc2c1S(=O)(=O)Cl 1772625027 NSAQSSBZGQNRFH-UHFFFAOYSA-N 355.846 2.026 70 1 FEIF O=C(On1nnc2ncccc21)c1c[nH]c2ccc(Br)cc12 1911578182 XLDVXYDNCAZWFP-UHFFFAOYSA-N 358.155 2.339 70 1 FEIF Cn1cc(-c2ccc(N3CCC(n4nnc5ccccc54)CC3)nn2)cn1 218775136 MAALNCIWVRSQCA-UHFFFAOYSA-N 360.425 2.463 70 1 FEIF NC1=N[C@]2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 218007691 SGURBDAGQXAXNV-LJQANCHMSA-N 368.368 2.186 70 1 FEIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 587562774 KJIFZAKXAAGZON-VFZGTOFNSA-N 369.830 2.160 70 1 FEIF Cc1cc2c(O)nc(O)nc2nc1-c1cccc(S(=O)(=O)Cl)c1 587564074 YQIOSTJYWVQVJZ-UHFFFAOYSA-N 351.771 2.339 70 1 FEIF C[C@@]1(c2cccc(S(=O)(=O)F)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962895817 IRNRKLNMXDEBCP-RDJZCZTQSA-N 367.373 2.346 70 1 FEIF CCCN1CCN(c2cccc(OS(=O)(=O)C(F)(F)F)c2)CC1 95590095 MNFJFYQWAWITDZ-UHFFFAOYSA-N 352.378 2.447 70 1 FEIF NC1=N[C@]2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 218008245 XNPBNQHTEMDPQV-GOSISDBHSA-N 372.812 2.428 70 1 FEIF CC(C)ONC(=O)[C@H](C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 43587297 YOUMXHSKSRUJFE-SECBINFHSA-N 355.334 2.475 70 1 FEIF C[C@@H](C(=O)Nc1nnco1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 84634279 HJYSLMDMENIQHJ-SSDOTTSWSA-N 365.289 2.040 70 1 FEIF N#Cc1nc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2nc1C#N 587180062 FZGBZOZPQVDFMV-UHFFFAOYSA-N 362.733 2.075 70 1 FEIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2O)NCCc2ccc(O)cc21 963341174 MCWHDDDZDCALCE-INIZCTEOSA-N 353.827 2.435 70 1 FEIF Cc1c(O)ccc2c1[C@@]1(CCCC[C@@H]1S(=O)(=O)Cl)N[C@H](C(=O)O)C2 963547546 BVAALLVLYOTSOL-RBOXIYTFSA-N 373.858 2.006 70 1 FEIF O=C(O)c1cn(Cc2ccc(S(=O)(=O)F)cc2)c2ccccc2c1=O 169352846 KPHXSYJAFDOSRG-UHFFFAOYSA-N 361.350 2.406 70 1 FEIF NC1=N[C@@]2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 218008168 XNPBNQHTEMDPQV-SFHVURJKSA-N 372.812 2.428 70 1 FEIF CCOC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O 66112297 LLEYQTINZXDQIU-UHFFFAOYSA-N 366.269 2.198 70 1 FEIF Cc1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586927160 DBSPNYGIVGMZAP-UHFFFAOYSA-N 374.813 2.442 70 1 FEIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3nc(O)nc(O)c3cc12 587562772 KJIFZAKXAAGZON-RFAUZJTJSA-N 369.830 2.160 70 1 FEIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1Cl 586929597 WQALXUMWUPBBIF-UHFFFAOYSA-N 358.210 2.273 70 1 FEIF O=S(=O)(Cl)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1Cl 586926583 BMUNIQZRYISWIO-UHFFFAOYSA-N 361.166 2.012 70 1 FEIF Cc1c(O)ccc2c1[C@]1(CCCC[C@H]1S(=O)(=O)Cl)N[C@H](C(=O)O)C2 963547545 BVAALLVLYOTSOL-NORZTCDRSA-N 373.858 2.006 70 1 FEIF CCCN1CCN(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1 84670234 VLEAPBRCZAYLLI-UHFFFAOYSA-N 352.378 2.447 70 1 FEIF Cc1ccc(S(=O)(=O)Cl)cc1-c1ccc2c(O)nc(O)nc2n1 587562931 NFZYMENXZBADFW-UHFFFAOYSA-N 351.771 2.339 70 1 FEIF COc1ccc(OCC(=O)NCC(=O)Nc2ccc(OC)cc2C)cc1 217493714 VOQAHLAOKSVCGK-UHFFFAOYSA-N 358.394 2.146 70 1 FEIF N=c1[nH]c2nc(-c3cc(S(=O)(=O)F)ccc3Cl)nc-2c(Cl)[nH]1 587178237 WSFUYQYQAKKODZ-UHFFFAOYSA-N 362.173 2.349 70 1 FEIF Cc1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1S(=O)(=O)Cl 586926887 BGJHHEOZEUZTRT-UHFFFAOYSA-N 356.816 2.250 70 1 FEIF O=S(=O)(Cl)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl 586926036 FQWXJKMWAZUJRJ-UHFFFAOYSA-N 361.166 2.012 70 1 FEIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 587181087 RHTBRNSQEVFZBJ-UHFFFAOYSA-N 360.779 2.326 70 1 FEIF COc1cc(Cc2nc3cnccc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925248 NKXRNRBNEIQJPE-UHFFFAOYSA-N 367.814 2.493 70 1 FEIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(N)ncnc3[nH]2)c1Cl 586928540 CBEDEMIAJZMZHA-UHFFFAOYSA-N 358.210 2.491 70 1 FEIF Cc1c(O)ccc2c1[C@]1(CCCC[C@@H]1S(=O)(=O)Cl)N[C@H](C(=O)O)C2 963547541 BVAALLVLYOTSOL-DETPVDSQSA-N 373.858 2.006 70 1 FEIF Cc1cc(-c2nc3nc(N)nc(Cl)c3[nH]2)ccc1S(=O)(=O)Cl 586926942 BMOBUXYUEHKCGG-UHFFFAOYSA-N 358.210 2.491 70 1 FEIF NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 218007610 SGURBDAGQXAXNV-IBGZPJMESA-N 368.368 2.186 70 1 FEIF Cc1c(O)ccc2c1[C@@]1(CCCC[C@H]1S(=O)(=O)Cl)N[C@H](C(=O)O)C2 963547543 BVAALLVLYOTSOL-GHJWDPDVSA-N 373.858 2.006 70 1 FEIF COc1cc(Cc2nc3cccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC 586925922 YYEAVRRNTVZRNI-UHFFFAOYSA-N 367.814 2.493 70 1 FEIF CC1(C)Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2 218001741 BFCFOLFRUMYREH-HNNXBMFYSA-N 353.216 2.177 70 1 FEIF