Substrates

Tag Smiles Reactive Atoms Reactions
PTDBSUB00082 COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00085 COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00088 COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O 1 1
PTDBSUB00091 Cc1cc2oc3cccc(O)c3c(=O)c2c(CO)c1O 1 1
PTDBSUB00097 Cc1cc2oc3cccc(O)c3c(=O)c2c(C)c1O 1 1
PTDBSUB00100 Cc1c(O)c(C)c2c(=O)c3c(O)cccc3oc2c1C 1 1
PTDBSUB00123 COc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00136 CC(=O)/C=C/c1c[nH]c2ccccc12 1 1
PTDBSUB00148 C=c1c(OC)c(-c2c(CC=C(C)C)[nH]c3ccccc23)c(=C)c(OC)c1-c1c[nH]c2ccccc12 1 1
PTDBSUB00205 CC(C)=CCc1cccc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00208 CC(C)=CCc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00211 CC(C)=CCc1cccc2c(C[C@H](N)CC(=O)O)c[nH]c12 1 1
PTDBSUB00214 CC(C)=CCc1cccc2c(CCN)c[nH]c12 1 1
PTDBSUB00217 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)cccc12)C(=O)O 1 1
PTDBSUB00220 CC(C)=CCc1cccc2c(C[C@@](C)(N)C(=O)O)c[nH]c12 1 1
PTDBSUB00223 CC(C)=CCc1cccc2c(C[C@](C)(N)C(=O)O)c[nH]c12 1 1
PTDBSUB00226 CC(C)=CCc1cccc2c(C[C@H](O)C(=O)O)c[nH]c12 1 1
PTDBSUB00229 CC(C)=CCc1cccc2c(C[C@@H](O)C(=O)O)c[nH]c12 1 1
PTDBSUB00233 CC(C)=CCc1cc(C)cc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00236 CC(C)=CCc1cc(C)cc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00239 CC(C)=CCc1c(C)ccc2c(C[C@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00242 CC(C)=CCc1c(C)ccc2c(C[C@@H](N)C(=O)O)c[nH]c12 1 1
PTDBSUB00245 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1 1 1
PTDBSUB00248 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1 1 1
PTDBSUB00251 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00253 CC(C)=CCc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00255 CC(C)=CCc1cccc2[nH]cc(C[C@H](N)CC(=O)O)c12 1 1
PTDBSUB00257 CC(C)=CCc1cccc2[nH]cc(CCN)c12 1 1
PTDBSUB00260 CN[C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C(=O)O 1 1
PTDBSUB00262 CC(C)=CCc1cccc2[nH]cc(C[C@@](C)(N)C(=O)O)c12 1 1
PTDBSUB00264 CC(C)=CCc1cccc2[nH]cc(C[C@](C)(N)C(=O)O)c12 1 1
PTDBSUB00266 CC(C)=CCc1cccc2[nH]cc(C[C@H](O)C(=O)O)c12 1 1
PTDBSUB00268 CC(C)=CCc1cccc2[nH]cc(C[C@@H](O)C(=O)O)c12 1 1
PTDBSUB00270 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00272 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00274 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@H](N)C(=O)O)c12 1 1
PTDBSUB00276 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@@H](N)C(=O)O)c12 1 1
PTDBSUB00278 COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 1 1
PTDBSUB00281 COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 1 1
PTDBSUB00300 O=C(O)/C=C/c1c[nH]c2ccccc12 1 1
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
PTDBSUB00396 O=C(O)c1cccc2c1Nc1ccccc1N2 1 1
PTDBSUB00412 O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1Cc1ccc(O)cc1 1 1
PTDBSUB00418 N[C@@H](CC(=O)O)Cc1c[nH]c2ccccc12 1 1
PTDBSUB00429 N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O 1 1
PTDBSUB00438 N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O 1 1
PTDBSUB00445 Cc1ccc2cccc(O)c2c1 1 1
PTDBSUB00448 COc1cccc2ccc(O)cc12 1 1
PTDBSUB00451 CCOc1cccc2ccc(O)cc12 1 1
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
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
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
PTDBSUB00610 O=C(O)c1cc2cc(O)ccc2cc1O 1 1
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
PTDBSUB00606 O=C(O)c1cc2cccc(O)c2cc1O 2 2
PTDBSUB00689 Cc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 1 2
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