Substrates

Tag Smiles Reactive Atoms Reactions
PTDBSUB00385 CC(=O)O[C@H]1[C@@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 1 1
PTDBSUB00388 CC(=O)O[C@H]1[C@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 1 1
PTDBSUB00392 O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 2 4
PTDBSUB00396 O=C(O)c1cccc2c1Nc1ccccc1N2 1 1
PTDBSUB00399 Oc1ccc2c(O)cccc2c1 3 8
PTDBSUB00407 Cc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12 2 4
PTDBSUB00412 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1 1 1
PTDBSUB00415 O=C(O)Cc1c[nH]c2ccccc12 3 3
PTDBSUB00418 N[C@@H](CC(=O)O)Cc1c[nH]c2ccccc12 1 1
PTDBSUB00423 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 3 3
PTDBSUB00429 N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 1 1
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
PTDBSUB00438 N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 1 1
PTDBSUB00441 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O 3 3
PTDBSUB00445 Cc1ccc2cccc(O)c2c1 1 1
PTDBSUB00448 COc1cccc2ccc(O)cc12 1 1
PTDBSUB00451 CCOc1cccc2ccc(O)cc12 1 1
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
PTDBSUB00464 COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O 1 2
PTDBSUB00467 O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O 2 6
PTDBSUB00472 O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 1 2
PTDBSUB00475 Oc1ccc(C2=COc3cc(O)cc(O)c3C2O)cc1 1 4
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
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
PTDBSUB00516 N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 2 2
PTDBSUB00542 N[C@H](Cc1ccc(O)cc1)C(=O)O 1 10
PTDBSUB00545 Nc1ccc(C[C@@H](N)C(=O)O)cc1 1 1
PTDBSUB00548 N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O 1 1
PTDBSUB00551 N[C@@H](CC(=O)O)c1ccc(O)cc1 1 1
PTDBSUB00554 N[C@@H](C(=O)O)c1ccc(O)cc1 1 1
PTDBSUB00558 N[C@H](Cc1ccccc1O)C(=O)O 1 1
PTDBSUB00562 Nc1cc(C[C@@H](N)C(=O)O)ccc1O 1 1
PTDBSUB00565 N[C@H](Cc1cccc(O)c1)C(=O)O 1 9
PTDBSUB00568 O=C(O)CCc1ccc(O)cc1 1 1
PTDBSUB00571 O=C(O)[C@@H](O)Cc1ccc(O)cc1 1 1
PTDBSUB00574 O=C(O)[C@H](O)Cc1ccc(O)cc1 1 1
PTDBSUB00578 C[C@@](N)(Cc1ccc(O)cc1)C(=O)O 1 1
PTDBSUB00581 N[C@H](Cc1ccc(O)c(F)c1)C(=O)O 1 1
PTDBSUB00584 N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O 1 9
PTDBSUB00587 N[C@H](Cc1ccc(O)c(I)c1)C(=O)O 1 1
PTDBSUB00590 N[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1 1
PTDBSUB00593 N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1 1 1
PTDBSUB00596 Oc1cccc2ccccc12 2 11
PTDBSUB00601 Oc1ccc2cccc(O)c2c1 2 11
PTDBSUB00606 O=C(O)c1cc2cccc(O)c2cc1O 2 2
PTDBSUB00610 O=C(O)c1cc2cc(O)ccc2cc1O 1 1
PTDBSUB00613 Oc1ccc2cc(O)ccc2c1 4 11
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
PTDBSUB00676 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(C)=O 4 8
PTDBSUB00689 Cc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 1 2
PTDBSUB00695 O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 3 5
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