smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)[C@@H]1C(=O)N(C[C@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656843 LKZRTJXURSDRSF-WCBMZHEXSA-N 328.373 -1.719 50 30 EAGC O=C(CN1CCCCC1)NNC(=O)Cn1nnc(N2CCCC2)n1 93726 XPAREIONLNLROL-UHFFFAOYSA-N 336.400 -1.093 50 30 EAGC NNC(=O)CCN1C(=O)[C@@H](c2ccccc2)N(CCC(=O)NN)C1=O 38656813 BUGOGQOKXQIQAQ-CYBMUJFWSA-N 348.363 -1.248 50 30 EAGC CC[C@H](C)[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656131 GPSHMCXZBWXXDB-GZMMTYOYSA-N 328.373 -1.575 50 30 EAGC CCCNC(=O)NNC(=O)[C@H](C)n1nnc(N2CCOCC2)n1 3138351 RDPZHZFIKQMMIY-VIFPVBQESA-N 326.361 -1.189 50 30 EAGC CCC[C@@H]1C(=O)N(C[C@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656144 CRGLWMXMTDMCBE-DTWKUNHWSA-N 328.373 -1.575 50 30 EAGC CC[C@@H](C)[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656134 GPSHMCXZBWXXDB-KCJUWKMLSA-N 328.373 -1.575 50 30 EAGC CCC[C@H]1C(=O)N(C[C@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656147 CRGLWMXMTDMCBE-IUCAKERBSA-N 328.373 -1.575 50 30 EAGC CCC[C@@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656139 CRGLWMXMTDMCBE-RKDXNWHRSA-N 328.373 -1.575 50 30 EAGC CSCC[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656153 GAZNPFBLCOPNLV-QMMMGPOBSA-N 346.413 -1.868 50 30 EAGC CC(C)NC(=O)NNC(=O)[C@@H](C)n1nnc(N2CCOCC2)n1 3134151 VPDNGFRVQQJANK-SECBINFHSA-N 326.361 -1.191 50 30 EAGC CC(C)NC(=O)NNC(=O)[C@H](C)n1nnc(N2CCOCC2)n1 3134152 VPDNGFRVQQJANK-VIFPVBQESA-N 326.361 -1.191 50 30 EAGC CC(C)[C@@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656838 LKZRTJXURSDRSF-PSASIEDQSA-N 328.373 -1.719 50 30 EAGC CC(C)[C@H]1C(=O)N(C[C@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656845 LKZRTJXURSDRSF-WPRPVWTQSA-N 328.373 -1.719 50 30 EAGC CC(C)[C@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656841 LKZRTJXURSDRSF-SCZZXKLOSA-N 328.373 -1.719 50 30 EAGC CCC[C@H]1C(=O)N(C[C@@H](C)C(=O)NN)C(=O)N1CCC(=O)NN 38656141 CRGLWMXMTDMCBE-BDAKNGLRSA-N 328.373 -1.575 50 30 EAGC CCCNC(=O)NNC(=O)[C@@H](C)n1nnc(N2CCOCC2)n1 3138350 RDPZHZFIKQMMIY-SECBINFHSA-N 326.361 -1.189 50 30 EAGC NNC(=O)CCN1C(=O)[C@H](c2ccccc2)N(CCC(=O)NN)C1=O 38656815 BUGOGQOKXQIQAQ-ZDUSSCGKSA-N 348.363 -1.248 50 30 EAGC CC[C@H](C)[C@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656136 GPSHMCXZBWXXDB-KWQFWETISA-N 328.373 -1.575 50 30 EAGC CC[C@@H](C)[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656128 GPSHMCXZBWXXDB-LDYMZIIASA-N 328.373 -1.575 50 30 EAGC O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 3125968 JFNPAPZKYLXIPY-XGTDYUOFSA-N 333.253 -2.926 50 30 EAGC CSCC[C@@H]1C(=O)N(CCC(=O)NN)C(=O)N1CCC(=O)NN 38656150 GAZNPFBLCOPNLV-MRVPVSSYSA-N 346.413 -1.868 50 30 EAGC