Substrates

Tag Smiles Reactive Atoms Reactions
PTDBSUB00647 Nc1cccc2ccc(O)cc12 1 3
PTDBSUB00652 Oc1ccc2ccccc2c1 1 3
PTDBSUB00656 Oc1ccc(O)c2ccccc12 1 3
PTDBSUB00661 Oc1cccc2c(O)cccc12 1 3
PTDBSUB00666 Oc1cc2ccccc2cc1O 1 3
PTDBSUB00094 Cc1cc2oc3cccc(O)c3c(=O)c2cc1O 1 4
PTDBSUB00144 COC1=C(c2c[nH]c3ccccc23)C(=O)C(OC)=C(c2c[nH]c3ccccc23)C1=O 3 4
PTDBSUB00167 COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1 2 4
PTDBSUB00170 COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1 2 4
PTDBSUB00173 N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2 4
PTDBSUB00195 O=C(O)[C@H](O)Cc1c[nH]c2ccccc12 2 4
PTDBSUB00297 O=C(O)CCc1c[nH]c2ccccc12 3 4
PTDBSUB00303 Cn1cc(C[C@@H](N)C(=O)O)c2ccccc21 3 4
PTDBSUB00306 Cc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12 3 4
PTDBSUB00310 N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 4 4
PTDBSUB00317 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4 4
PTDBSUB00359 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 2 4
PTDBSUB00392 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 2 4
PTDBSUB00407 Cc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12 2 4
PTDBSUB00454 Cc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 2 4
PTDBSUB00457 Cc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2O 2 4
PTDBSUB00460 COc1ccc([C@@H]2CC(=O)c3c(O)cc(C)cc3O2)cc1O 2 4
PTDBSUB00475 Oc1ccc(C2=COc3cc(O)cc(O)c3C2O)cc1 1 4
PTDBSUB00001 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 2 5
PTDBSUB00032 C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 3 5
PTDBSUB00059 O=C1CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 2 5
PTDBSUB00179 NCCc1c[nH]c2ccccc12 3 5
PTDBSUB00192 O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12 3 5
PTDBSUB00286 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 2 5
PTDBSUB00313 Cc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12 3 5
PTDBSUB00695 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 3 5
PTDBSUB00155 Cc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1 3 6
PTDBSUB00158 Cc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1 3 6
PTDBSUB00161 Cc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1 3 6
PTDBSUB00176 N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12 3 6
PTDBSUB00186 C[C@@](N)(Cc1c[nH]c2ccccc12)C(=O)O 3 6
PTDBSUB00189 C[C@](N)(Cc1c[nH]c2ccccc12)C(=O)O 3 6
PTDBSUB00351 O=c1c2ccc(O)cc2oc2cc(O)cc(O)c12 2 6
PTDBSUB00467 O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O 2 6
PTDBSUB00005 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1 3 7
PTDBSUB00064 CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 3 7
PTDBSUB00109 N[C@@H](Cc1ccccc1O)C(=O)O 2 7
PTDBSUB00164 Cc1ccc2c(C[C@@H](N)C(=O)O)c[nH]c2c1 4 7
PTDBSUB00012 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccccc1 4 8
PTDBSUB00072 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]c2ccccc12 4 8
PTDBSUB00120 Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 3 8
PTDBSUB00399 Oc1ccc2c(O)cccc2c1 3 8
PTDBSUB00676 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(C)=O 4 8
PTDBSUB00703 N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 1 8
PTDBSUB00706 N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 1 8
PTDBSUB00718 NC(CC(=O)O)c1ccc(O)cc1 1 8
PTDBSUB00722 N[C@@H](C(=O)O)C(O)c1ccc(O)c(O)c1 1 8
PTDBSUB00183 CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 4 9
PTDBSUB00376 CC(N)(Cc1ccc(O)cc1)C(=O)O 1 9
PTDBSUB00382 N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O 1 9
PTDBSUB00565 N[C@H](Cc1cccc(O)c1)C(=O)O 1 9
PTDBSUB00584 N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O 1 9
PTDBSUB00379 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1 10
PTDBSUB00542 N[C@H](Cc1ccc(O)cc1)C(=O)O 1 10
PTDBSUB00596 Oc1cccc2ccccc12 2 11
PTDBSUB00601 Oc1ccc2cccc(O)c2c1 2 11
PTDBSUB00613 Oc1ccc2cc(O)ccc2c1 4 11
PTDBSUB00370 N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O 1 12
PTDBSUB00321 Nc1ccc(C[C@H](N)C(=O)O)cc1 2 14
PTDBSUB00106 N[C@@H](Cc1ccc(O)cc1)C(=O)O 2 17
PTDBSUB00289 Oc1ccc2ccc(O)cc2c1 6 19
PTDBSUB00103 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5 80