Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol9601 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 2 4
mol9602 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO 3 13
mol9603 CCCCCCS 2 2
mol9604 O=C1C=C(F)C(=O)C(F)=C1F 0 0
mol9605 O=C1C(O)=C(Cl)C(=O)C(Cl)=C1Cl 2 2
mol9606 O=C1C(O)=C(Br)C(=O)C(Br)=C1Br 2 2
mol9607 Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl 3 3
mol9608 O=C1C(O)=C(Cl)C(=O)C(O)=C1Cl 3 3
mol9609 O=C1C(O)=C(Br)C(=O)C(O)=C1Br 3 3
mol9610 O=C1C(O)=C(F)C(=O)C(O)=C1F 3 3
mol9611 O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-] 2 2
mol9612 O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O 3 3
mol9613 O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O 4 4
mol9614 Oc1cc(Br)cc(Br)c1 2 2
mol9615 Oc1cc(I)cc(I)c1 2 2
mol9616 O=c1cccc2[nH]onc1-2 2 2
mol9617 O=c1ccc2no[nH]c-2c1 2 2
mol9618 O=c1cnc2[nH]c(=O)ncc2[nH]1 3 4
mol9619 O=c1cnc2c[nH]c(=O)[nH]c-2n1 3 4
mol9620 O=c1cnc2[nH]cnc(=O)c2[nH]1 3 5