smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](NC(=O)CCc1ccccc1)c1ccc(C)c(C)c1 218173152 DJYFIZIDYABLCT-IBGZPJMESA-N 295.426 4.504 70 40 CJIB CC(C)(C)c1ccc(-c2noc(-c3cccs3)n2)cc1 216670238 WKCVEPLEERRSRC-UHFFFAOYSA-N 284.384 4.763 70 40 CJIB Cc1ccccc1C(=O)c1c(C)ccc2ccccc12 160819586 RBGDOMXJWUNUEE-UHFFFAOYSA-N 260.336 4.688 70 40 CJIB CCN(Cc1ccccc1)[C@@H](C)c1ccc(C)c(NC)c1 218320273 TZIWVMNSHYFZEZ-INIZCTEOSA-N 282.431 4.620 70 40 CJIB C[Si](C)(Cl)C1c2ccccc2-c2ccccc21 195760652 KZHYCLVENKAPLZ-UHFFFAOYSA-N 258.824 4.782 70 40 CJIB ClCc1ccc(CC[Si](Cl)(Cl)Cl)cc1 196049712 KDXKVFHCTVZSJB-UHFFFAOYSA-N 288.077 4.623 70 40 CJIB CSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(C)c1 218193485 NEAQAIJFRSCXPQ-AWEZNQCLSA-N 299.439 4.516 70 40 CJIB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)c(C)c1 217885283 UPYNYWKNQPPMIV-XSSIKURBSA-N 293.410 4.584 70 40 CJIB Cc1cccc(Cn2ccc(-c3cc4ccccc4o3)n2)c1 216689369 ZZMCFDIXGKJFIO-UHFFFAOYSA-N 288.350 4.653 70 40 CJIB CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)cc1C 217885446 NDPZPSXVKUGEBZ-XSSIKURBSA-N 293.410 4.584 70 40 CJIB CC(C)(C)c1ccc(-c2nc(-c3cccs3)no2)cc1 216672686 NNRIYUHYADBQMB-UHFFFAOYSA-N 284.384 4.763 70 40 CJIB Cc1ccccc1Cn1ccc(-c2cc3ccccc3o2)n1 216689301 CETJOOMGWSCEHB-UHFFFAOYSA-N 288.350 4.653 70 40 CJIB CC(C)(C)c1ccc(CC[Si](C)(C)Cl)cc1 196878815 YHAOQDUDNXJPIG-UHFFFAOYSA-N 254.877 4.971 70 40 CJIB Cc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216689425 DMTJLPYBOUWHFK-UHFFFAOYSA-N 288.350 4.653 70 40 CJIB ClC[C@H](C[Si](Cl)(Cl)Cl)c1ccccc1 203611040 CPYKRKMVWIPNFZ-SECBINFHSA-N 288.077 4.664 70 40 CJIB Cl[Si](Cl)(Cl)Cc1cccc2ccccc12 196952282 ZTCCIXDZFGSHTQ-UHFFFAOYSA-N 275.638 4.577 70 40 CJIB Cc1ccc(C)c(CN=C=NCc2cc(C)ccc2C)c1 12633055 ORPOXJCLWLFEET-UHFFFAOYSA-N 278.399 4.794 70 40 CJIB CC(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1 216699373 CDZVZMPFEYCMCU-UHFFFAOYSA-N 264.328 4.527 70 40 CJIB COc1ccccc1NC(=O)Nc1c(C)cccc1C(C)C 217267975 PUXZWCAWLXSMQH-UHFFFAOYSA-N 298.386 4.771 70 40 CJIB COc1ccccc1-c1cc(-c2cc3ccccc3o2)on1 216698552 BUVJQDQIYBEXEI-UHFFFAOYSA-N 291.306 4.763 70 40 CJIB C[Si](Cl)(Cl)C[C@H](CCl)c1ccccc1 200019191 JNTBNLVZMOHWAI-JTQLQIEISA-N 267.659 4.559 70 40 CJIB Cc1nc2c(C)cccc2c(Nc2ccccc2)c1C 217443161 MOHVRHYVFNDULK-UHFFFAOYSA-N 262.356 4.904 70 40 CJIB CSc1ccccc1C(=O)N[C@H](C)c1ccc(C)c(C)c1 218193558 NEAQAIJFRSCXPQ-CQSZACIVSA-N 299.439 4.516 70 40 CJIB CCNc1cc([C@@H](C)N(C)Cc2ccccc2)ccc1C 218319180 DBGMPURHHRSBNL-MRXNPFEDSA-N 282.431 4.620 70 40 CJIB ClC[C@@H](C[Si](Cl)(Cl)Cl)c1ccccc1 203611045 CPYKRKMVWIPNFZ-VIFPVBQESA-N 288.077 4.664 70 40 CJIB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)cc1C 217885509 NDPZPSXVKUGEBZ-BPOBUFBUSA-N 293.410 4.584 70 40 CJIB C[Si](Cl)(Cl)CCc1ccccc1CCl 196291952 NFMVYTPKEZAHLZ-UHFFFAOYSA-N 267.659 4.518 70 40 CJIB Cc1ccc2ccccc2c1C(=O)c1ccccc1F 160829292 POWZTKKMIMGBFA-UHFFFAOYSA-N 264.299 4.518 70 40 CJIB CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(C)c(C)c1 217885358 UPYNYWKNQPPMIV-BPOBUFBUSA-N 293.410 4.584 70 40 CJIB CCCCCCCCN[SiH](C)C(C(C)C)C(C)C 604970495 ONSSPXJGZBWREU-UHFFFAOYSA-N 271.565 4.972 70 40 CJIB Cc1ccccc1-c1cc(-c2cc3ccccc3o2)n[nH]1 216695860 SCVMOTKYOJGDDB-UHFFFAOYSA-N 274.323 4.798 70 40 CJIB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1C 218173245 GWUJBTGYKYATQV-LJQANCHMSA-N 295.426 4.504 70 40 CJIB Cc1ccsc1-c1cc(-c2ccccc2F)no1 216666311 JFBRJYGKPICLTI-UHFFFAOYSA-N 259.305 4.518 70 40 CJIB CC[C@@H](NC(=O)CCc1ccccc1)c1ccc(C)c(C)c1 218173085 DJYFIZIDYABLCT-LJQANCHMSA-N 295.426 4.504 70 40 CJIB C[Si](Cl)(Cl)C[C@@H](CCl)c1ccccc1 200019155 JNTBNLVZMOHWAI-SNVBAGLBSA-N 267.659 4.559 70 40 CJIB Nc1nc2ccc(Oc3cccc4ccccc34)cc2s1 216780615 PSBUGUVXXAABPQ-UHFFFAOYSA-N 292.363 4.824 70 40 CJIB COc1ccc(-c2cc(-c3cc4ccccc4o3)on2)cc1 216698618 OOGCNSBQAYDCNN-UHFFFAOYSA-N 291.306 4.763 70 40 CJIB Cc1ccc2ccccc2c1C(=O)c1ccc(F)cc1 160813048 SQKPLYYIXYNABP-UHFFFAOYSA-N 264.299 4.518 70 40 CJIB Cl[Si](Cl)(Cl)CCCCc1ccccc1 196822134 IRSHKGIWUBHUIQ-UHFFFAOYSA-N 267.659 4.665 70 40 CJIB Cc1cccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)c1 216695928 FSOKQSHHGPYYOU-UHFFFAOYSA-N 274.323 4.798 70 40 CJIB CC(C)(C)c1ccc(-c2cc(-c3cccnc3)on2)cc1 216699232 CAZQGHRVIOUJKV-UHFFFAOYSA-N 278.355 4.701 70 40 CJIB S=C(NCc1ccccc1)[C@@]12CCC3C[C@@H](C[C@@H](C3)C1)C2 217484762 MCUMVHBBSIMRNS-VVXSQCBMSA-N 299.483 4.710 70 40 CJIB CC(C)(C)c1ccc(-c2cc(-c3ccco3)on2)cc1 216698023 NJIWNCGBYLMCBW-UHFFFAOYSA-N 267.328 4.899 70 40 CJIB CCc1ccc(-c2cc(-c3cccs3)on2)cc1 216697467 ZSBZRPVMQUPCKU-UHFFFAOYSA-N 255.342 4.633 70 40 CJIB CCc1c(C)nc2ccccc2c1Nc1ccccc1 217443239 RVHHKGXDXYWZAV-UHFFFAOYSA-N 262.356 4.849 70 40 CJIB CCN(Cc1ccccc1)[C@H](C)c1ccc(C)c(NC)c1 218320358 TZIWVMNSHYFZEZ-MRXNPFEDSA-N 282.431 4.620 70 40 CJIB CC[C@H](NC(=O)CCc1ccccc1)c1ccc(C)cc1C 218173322 GWUJBTGYKYATQV-IBGZPJMESA-N 295.426 4.504 70 40 CJIB C[Si](C)(C)C[Si](Cl)(Cl)C[Si](C)(C)C 196125632 FEJIRWLJFCIPJX-UHFFFAOYSA-N 273.428 4.661 70 40 CJIB CCc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1 160827960 DDQXRXPZLYYRTB-UHFFFAOYSA-N 274.363 4.942 70 40 CJIB Cc1ccsc1-c1cc(-c2ccc(F)cc2)no1 216666377 PAVSKBCTIWFNJQ-UHFFFAOYSA-N 259.305 4.518 70 40 CJIB CC(C)c1ccc(-c2cc(-c3ccco3)on2)cc1 216698163 VSFVFRMRHCRDIG-UHFFFAOYSA-N 253.301 4.725 70 40 CJIB Cc1ccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)cc1 216695990 SEBWTXWXNGQFKP-UHFFFAOYSA-N 274.323 4.798 70 40 CJIB C[Si](Cl)(Cl)CCCC[Si](C)(Cl)Cl 217382973 VJVMIIAKISKTDK-UHFFFAOYSA-N 284.162 4.866 70 40 CJIB CCNc1cc([C@H](C)N(C)Cc2ccccc2)ccc1C 218319259 DBGMPURHHRSBNL-INIZCTEOSA-N 282.431 4.620 70 40 CJIB