smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)c(C=C4SC(=O)NC4=O)c3)n2)CC1 2265298478 WZGVKWZJGXGNDP-UHFFFAOYSA-N 471.470 2.788 5 30 JFBC Cc1ccc(OC[C@H](O)CN2CCN(c3nc(-c4ccccc4)ns3)CC2)c([N+](=O)[O-])c1 20421553 KHZCUKUPPAWDLV-GOSISDBHSA-N 455.540 2.984 5 30 JFBC O=C1CC=c2c(c3ccn4c5c(c6ccn2c3c64)=C(c2ccccc2)C(=O)CC=5)=C1c1ccccc1 223630081 WSLHPVXBYYNYAJ-UHFFFAOYSA-N 464.524 2.688 5 30 JFBC Cc1ccc(OC[C@@H](O)CN2CCN(c3nc(-c4ccccc4)ns3)CC2)c([N+](=O)[O-])c1 20421552 KHZCUKUPPAWDLV-SFHVURJKSA-N 455.540 2.984 5 30 JFBC Cn1c(Sc2ncnc(Sc3nnc(C(F)(F)F)n3C)c2[N+](=O)[O-])nnc1C(F)(F)F 3125768 CRXYSNUFGOVFAI-UHFFFAOYSA-N 487.371 2.982 5 30 JFBC COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@H]3O[C@@H]([C@@H](C)O)[C@@H](O)[C@H]3O)ccc(O)c12 85550648 BYFOTBZTKXSZHH-GNSKJVQPSA-N 482.485 2.673 5 30 JFBC COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1 1031397 GNHRUHJBHAJFOQ-UHFFFAOYSA-N 454.237 2.743 5 30 JFBC