Substrates

Tag Smiles Reactive Atoms Reactions
PTDBSUB00103 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 5 80
PTDBSUB00289 Oc1ccc2ccc(O)cc2c1 6 19
PTDBSUB00106 N[C@@H](Cc1ccc(O)cc1)C(=O)O 2 17
PTDBSUB00321 Nc1ccc(C[C@H](N)C(=O)O)cc1 2 14
PTDBSUB00370 N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O 1 12
PTDBSUB00596 Oc1cccc2ccccc12 2 11
PTDBSUB00601 Oc1ccc2cccc(O)c2c1 2 11
PTDBSUB00613 Oc1ccc2cc(O)ccc2c1 4 11
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
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
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
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
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
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
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
PTDBSUB00017 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]12 2 3
PTDBSUB00022 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 2 3
PTDBSUB00027 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]12 2 3
PTDBSUB00039 C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 2 3
PTDBSUB00044 C[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 2 3
PTDBSUB00049 C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 2 3
PTDBSUB00079 O=C(O)C(=O)Cc1ccc(O)cc1 2 3
PTDBSUB00112 N[C@@H](Cc1cccc(O)c1)C(=O)O 3 3
PTDBSUB00415 O=C(O)Cc1c[nH]c2ccccc12 3 3
PTDBSUB00423 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 3 3
PTDBSUB00432 N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 3 3
PTDBSUB00435 N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 3 3
PTDBSUB00441 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 3 3
PTDBSUB00499 COC(=O)[C@H](N)Cc1c[nH]c2ccccc12 2 3
PTDBSUB00511 N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 2 3
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
PTDBSUB00054 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1c[nH]cn1 2 2
PTDBSUB00126 Nc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 2 2
PTDBSUB00139 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O 1 2
PTDBSUB00151 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21 2 2
PTDBSUB00292 O=C1C(O)=CC(=O)c2c(O)cc(O)cc21 1 2
PTDBSUB00339 O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12 2 2
PTDBSUB00343 O=c1c2c(O)cc(O)cc2oc2cc(O)cc(O)c12 1 2
PTDBSUB00364 O=C1N[C@@H](O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 1 2
PTDBSUB00367 CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 1 2
PTDBSUB00373 N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O 1 2
PTDBSUB00464 COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O 1 2
PTDBSUB00472 O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 1 2
PTDBSUB00479 COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 1 2
PTDBSUB00483 O=C1C[C@H](c2ccccc2)Oc2cc(O)ccc21 1 2
PTDBSUB00488 N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO 2 2
PTDBSUB00491 O=C(O)C(=O)Cc1c[nH]c2ccccc12 2 2
PTDBSUB00496 O=C(O)CCCc1c[nH]c2ccccc12 2 2
PTDBSUB00516 N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 2 2