smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Cn1c2c(c(=O)n3ncnc13)CCC2)N/N=C/c1cccnc1 156895 QISWIJDHLILFRF-UFWORHAWSA-N 337.343 -0.075 50 30 EBGC C[N+](C)(CC(O)C[N+](C)(C)C[C@H](O)CCl)C[C@H](O)CCl 6068192 SYIQUDNEELRFSQ-VXGBXAGGSA-N 333.300 -0.301 50 30 EBGC COC(=O)C/C(=N/NC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)OC 8629211 NOLLPSCQBRNNRL-GDNBJRDFSA-N 338.276 -0.001 50 30 EBGC CC(=O)N1CSC[C@H]1C(=O)NNS(=O)(=O)c1ccccc1 150086 ICLGIJYNTSIFOS-NSHDSACASA-N 329.403 -0.083 50 30 EBGC C[N+](C)(C[C@H](O)CCl)C[C@@H](O)C[N+](C)(C)C[C@@H](O)CCl 256002730 SYIQUDNEELRFSQ-CLLJXQQHSA-N 333.300 -0.301 50 30 EBGC NS(=O)(=O)c1ccc(NNC(=O)c2nccnc2C(=O)O)cc1 8618276 IWDFBKJCAAKYNO-UHFFFAOYSA-N 337.317 -0.421 50 30 EBGC C[N+](C)(CC(O)C[N+](C)(C)C[C@@H](O)CCl)C[C@@H](O)CCl 6068198 SYIQUDNEELRFSQ-RYUDHWBXSA-N 333.300 -0.301 50 30 EBGC O=S(=O)(CCCl)CCNCCS(=O)(=O)CCCl 95749526 LNKCXUFJUDPYLP-UHFFFAOYSA-N 326.267 -0.117 50 30 EBGC Cc1ccc(-c2nnn(CC(=O)NNC(=O)N3CCOCC3)n2)cc1 116885 PESJAQXWJONREG-UHFFFAOYSA-N 345.363 -0.278 50 30 EBGC COc1ccc(O)c(C=NNC(=O)CN2CCS(=O)(=O)CC2)c1 254432183 IFICMIQELDFYSV-UHFFFAOYSA-N 341.389 -0.419 50 30 EBGC CC(=O)N1CSC[C@@H]1C(=O)NNS(=O)(=O)c1ccccc1 150088 ICLGIJYNTSIFOS-LLVKDONJSA-N 329.403 -0.083 50 30 EBGC