smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CS(=O)(=O)Cl)c1coc2ccccc12 587281146 YDUZYQNKYRCVRE-UHFFFAOYSA-N 258.682 2.184 70 1 CEIF O=S(=O)(F)/C=C/c1cccc(/C=C/S(=O)(=O)F)c1 1857581265 UXEQASKBUWRHFO-YDFGWWAZSA-N 294.300 2.227 70 1 CEIF C[C@H]1[C@@H](c2ccccc2)OB(c2ccccc2)N1C 195088328 RHEOVNWEAAUANC-BBRMVZONSA-N 251.138 2.474 70 1 CEIF CCCCCC(=O)c1ccn(-c2ccc3c(c2)B(O)OC3)c1 221695381 HWDMZCMSBRPEMA-UHFFFAOYSA-N 297.163 2.458 70 1 CEIF C[C@@H]1[C@H](c2ccccc2)OB(c2ccccc2)N1C 195153701 RHEOVNWEAAUANC-CZUORRHYSA-N 251.138 2.474 70 1 CEIF CC(C)CC(N)=P(O)(O)/C(O)=N/c1ccccc1 169719861 QJKYFZUWFXVJHU-UHFFFAOYSA-N 270.269 2.199 70 1 CEIF O=C(On1nnc2ccccc21)c1ccc2cc[nH]c2c1 1911577904 ITZMAIJYPRVQFP-UHFFFAOYSA-N 278.271 2.182 70 1 CEIF O=S(=O)(F)/C=C/c1ccc(C(F)(F)F)nc1 1857551524 MJJYTWMIFVECFI-ONEGZZNKSA-N 255.192 2.370 70 1 CEIF Cc1c(C(=O)N=[N+]=[N-])[n+](=O)c2cc(Cl)ccc2n1O 139703111 YIKLAULDXQYBOE-UHFFFAOYSA-N 280.651 2.205 70 1 CEIF C[C@H]1NC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1 218373514 NHHLRTBGOWCUMQ-DGCLKSJQSA-N 282.384 2.350 70 1 CEIF Cc1ccc2[nH]cc(C(=O)On3nnc4ccccc43)c2c1 1911576380 BHLVBJANCKFRLU-UHFFFAOYSA-N 292.298 2.490 70 1 CEIF C[C@@H]1[C@@H](c2ccccc2)OB(c2ccccc2)N1C 195153684 RHEOVNWEAAUANC-CJNGLKHVSA-N 251.138 2.474 70 1 CEIF O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cnccn1 43409522 BCDQGCKSLSEGMQ-UHFFFAOYSA-N 290.147 2.391 70 1 CEIF C[C@H]1[C@H](c2ccccc2)OB(c2ccccc2)N1C 195153710 RHEOVNWEAAUANC-XJKSGUPXSA-N 251.138 2.474 70 1 CEIF N#Cc1ccc2c(C(=O)CS(=O)(=O)Cl)coc2c1 587278569 RHTDLOCXYKSCJJ-UHFFFAOYSA-N 283.692 2.056 70 1 CEIF CC(C)S(=O)(=O)c1ccc(/C=C/S(=O)(=O)F)cc1 1857614809 CATXIJAYZJQPDX-BQYQJAHWSA-N 292.353 2.139 70 1 CEIF O=C(On1nnc2ccccc21)c1ccc2[nH]ccc2c1 49888654 YPFWNRLSYPAVJB-UHFFFAOYSA-N 278.271 2.182 70 1 CEIF CCCCc1ccc([B-]2(c3ccccc3)NCCO2)cc1 170186642 SHJPDUFPUJKSSW-UHFFFAOYSA-N 280.200 2.205 70 1 CEIF CCOC(=O)c1cccc(/C=C/S(=O)(=O)F)c1 1857565164 GXIDEDGKKCXSQE-VOTSOKGWSA-N 258.270 2.133 70 1 CEIF CC(C)(C)[SiH2]O[Si](C)(C)O[SiH2]C(C)(C)C 169761295 RCWJYRMHVVMYJL-UHFFFAOYSA-N 264.590 2.326 70 1 CEIF in-man CC1(C)CC(=O)C=C(OS(=O)(=O)C(F)(F)F)C1 43394105 UINBCLOSQYROKH-UHFFFAOYSA-N 272.244 2.126 70 1 CEIF OB1OCc2ccc(-n3ccc(Cc4ccccc4)c3)cc21 221695948 IPKYPFLVQWHGTO-UHFFFAOYSA-N 289.143 2.286 70 1 CEIF CCOC(=O)c1ccc(/C=C/S(=O)(=O)F)cc1 1857589379 FTTCCMYRVGYYAU-BQYQJAHWSA-N 258.270 2.133 70 1 CEIF CCCCCCNC(=S)P(O)(O)=C(N)C(C)C 169720475 HFBIBDVDNKGLAP-UHFFFAOYSA-N 280.374 2.018 70 1 CEIF C[C@H]1NC(=O)[C@H]1NC(=O)OCCCCC1CCCCC1 218373386 NHHLRTBGOWCUMQ-YPMHNXCESA-N 282.384 2.350 70 1 CEIF CC1(C)C(=O)[C@]2(OS(=O)(=O)C(F)(F)F)CC[C@@H]1C2 102949748 HXHXUZZTBAWEKZ-MUWHJKNJSA-N 286.271 2.000 70 1 CEIF C[C@@H]1NC(=O)[C@H]1NC(=O)OCCCCC1CCCCC1 218373437 NHHLRTBGOWCUMQ-AAEUAGOBSA-N 282.384 2.350 70 1 CEIF O=C(On1nnc2ccccc21)c1cc2ccccc2[nH]1 59426283 ZDPADJJUIZEJSZ-UHFFFAOYSA-N 278.271 2.182 70 1 CEIF CC1(C)C(=O)[C@]2(OS(=O)(=O)C(F)(F)F)CC[C@H]1C2 73292116 HXHXUZZTBAWEKZ-RCOVLWMOSA-N 286.271 2.000 70 1 CEIF Cc1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)cn12 218580508 JUJIIDHBJSLGEK-INIZCTEOSA-N 283.375 2.072 70 1 CEIF CC1(C)C(=O)[C@@]2(OS(=O)(=O)C(F)(F)F)CC[C@@H]1C2 73292113 HXHXUZZTBAWEKZ-HZGVNTEJSA-N 286.271 2.000 70 1 CEIF COC(=O)CCCc1ccc(S(=O)(=O)Cl)cc1 100037801 VJLZCCOUCOEFOG-UHFFFAOYSA-N 276.741 2.110 70 1 CEIF C[C@@H]1NC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1 218373573 NHHLRTBGOWCUMQ-WCQYABFASA-N 282.384 2.350 70 1 CEIF OB1OCc2ccc(Oc3ccc4ccccc4n3)cc21 195362253 HNDICNHPIRWHPL-UHFFFAOYSA-N 277.088 2.245 70 1 CEIF O=C(On1nnc2ccccc21)c1cc2cc(F)ccc2[nH]1 59426284 PAEPADFRKKOUIH-UHFFFAOYSA-N 296.261 2.321 70 1 CEIF O=[N+]([O-])c1ccccc1/C=C/C=C/S(=O)(=O)F 1857580293 WUAYSLLJGKDCQJ-PHQNLGIASA-N 257.242 2.421 70 1 CEIF O=C(On1nnc2ccccc21)c1c[nH]c2ccccc12 1911581744 ZUICDDCLDBHMCH-UHFFFAOYSA-N 278.271 2.182 70 1 CEIF CCCCCCNC(=S)P(O)(O)=C(N)CC(C)C 169720478 TZFRAJQUDDICOT-UHFFFAOYSA-N 294.401 2.408 70 1 CEIF CC1(C)C(=O)[C@@]2(OS(=O)(=O)C(F)(F)F)CC[C@H]1C2 102949745 HXHXUZZTBAWEKZ-IMTBSYHQSA-N 286.271 2.000 70 1 CEIF O=S(=O)(F)/C=C/c1cnn(-c2ccccc2)c1 1857590212 HPBIWLPEEVWLSV-VOTSOKGWSA-N 252.270 2.142 70 1 CEIF