Index Name ID Full_SMILES Cropped_SMILES Is_compoiste Canonical_SMILES Cropped_canonical_SMILES Number_halflives 1 (5-methoxy-2-naphthyl)ethan-1-ol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c8c41e3d-13fc-45d3-9772-af60c8e1537a CC(C1=CC2=CC=C(C=C2C=C1)OC)O CC(C1=CC2=CC=C(C=C2C=C1)OC)O False COc1ccc2cc(C(C)O)ccc2c1 COc1ccc2cc(C(C)O)ccc2c1 0 2 1-(2,6-dichlorophenyl)-1,3-dihydro-2H-indol-2-one https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d922407e-a413-48e9-9fc0-52c981a3b3d7 C1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=CC=C3Cl)Cl C1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=CC=C3Cl)Cl False O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl 0 4 1-OH IBU https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3ef1ecff-81cd-4376-9411-b95014758aa5 CC(CC1=CC=C(C=C1)C(C)C(=O)O)CO CC(CC1=CC=C(C=C1)C(C)C(=O)O)CO False CC(CO)Cc1ccc(C(C)C(=O)O)cc1 CC(CO)Cc1ccc(C(C)C(=O)O)cc1 0 5 14-Hydroxy-N-desmethylcodeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f5ef8fb7-494f-43c8-beb9-a6ac964f613b [C@@]123CCN[C@@H]4CC5C=CC(OC)=C(O[C@H]1[C@@H](O)C=C[C@]24O)C3=5 [C@@]123CCN[C@@H]4CC5C=CC(OC)=C(O[C@H]1[C@@H](O)C=C[C@]24O)C3=5 False COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(O)[C@@H](C2)NCC[C@]314 COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@]4(O)[C@@H](C2)NCC[C@]314 0 6 14-Hydroxy-codeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/395615a5-02df-42df-9d61-aa76930880ec CN1[C@H]2[C@@](O)3C=C[C@](O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 CN1[C@H]2[C@@](O)3C=C[C@](O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 False COc1ccc2c3c1O[C@H]1[C](O)C=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1[C](O)C=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 0 7 14-Hydroxy-codeinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/462f6c4f-5776-47ce-bca3-6bae45525003 CN1[C@H]2[C@@](O)3C=CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O CN1[C@H]2[C@@](O)3C=CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O False COc1ccc2c3c1O[C@H]1C(=O)C=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1C(=O)C=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 0 8 14-Hydroxymorphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c310bc60-6fad-4d82-8d6e-7cfaa9142b43 CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1[C@]3(C=C[C@H]([C@@H]2O5)O)O)O CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1[C@]3(C=C[C@H]([C@@H]2O5)O)O)O False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@]3(O)[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@]3(O)[C@H]1C5 0 9 14-Hydroxymorphinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fc184083-cab5-48e0-8ec6-66a0fa23816b CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3(C=CC(=O)[C@@H]2O5)O)O CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3(C=CC(=O)[C@@H]2O5)O)O False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=CC3(O)[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=CC3(O)[C@H]1C5 0 10 17-alpha-ethinylestradiol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/86059946-8454-40a3-adb8-417242d62ba7 C#CC1(CCC2C3CCC4=CC(=CC=C4C3CCC21C)O)O C#CC1(CCC2C3CCC4=CC(=CC=C4C3CCC21C)O)O False C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C 0 13 17beta-Estradiol 3-(beta-D-glucuronide) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f148b5dc-689a-41e6-b91f-76b28377fa88 CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O False CC12CCC3c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4CCC3C1CCC2O CC12CCC3c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4CCC3C1CCC2O 0 14 1[(4-chlorophenyl)phenylmethyl]piperazine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/00a37a7e-62db-41bd-9a25-8e2c338a7d44 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCNCC3 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCNCC3 False Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1 Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1 0 15 2-((2,6- dichlorophenyl)amino)benzyl alcohol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fadc648a-6b4e-4683-b3df-ecb911d5dee3 C1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)Cl)CO C1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)Cl)CO False OCc1ccccc1Nc1c(Cl)cccc1Cl OCc1ccccc1Nc1c(Cl)cccc1Cl 0 16 2-((2,6-dichlorophenyl) amino)benzyl alcohol methyl ether https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5c1c418b-b9e2-4ab3-910d-9fee8b70cc1a COCC1=C(C=CC=C1)NC2=C(C=CC=C2Cl)Cl COCC1=C(C=CC=C1)NC2=C(C=CC=C2Cl)Cl False COCc1ccccc1Nc1c(Cl)cccc1Cl COCc1ccccc1Nc1c(Cl)cccc1Cl 0 17 2-Nitromorphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c3aae780-fbba-46e5-8123-2efc2361d84c CN1[C@@H]2C3C=C[C@@H](O)[C@H]4OC5C([C@@]34CC1)=C(C2)C=C([N+]([O-])=O)C=5O CN1[C@@H]2C3C=C[C@@H](O)[C@H]4OC5C([C@@]34CC1)=C(C2)C=C([N+]([O-])=O)C=5O False CN1CC[C@@]23c4c5cc([N+](=O)[O-])c(O)c4O[C@@H]2[C@H](O)C=CC3[C@@H]1C5 CN1CC[C@@]23c4c5cc([N+](=O)[O-])c(O)c4O[C@@H]2[C@H](O)C=CC3[C@@H]1C5 0 18 2-Nitromorphinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/13f4401c-d5e9-4b42-9fc8-fb4a6169cf80 CN1[C@H]2C3C=CC([C@@H]4OC5C([C@]34CC1)=C(C2)C=C([N+]([O-])=O)C=5O)=O CN1[C@H]2C3C=CC([C@@H]4OC5C([C@]34CC1)=C(C2)C=C([N+]([O-])=O)C=5O)=O False CN1CC[C@]23c4c5cc([N+](=O)[O-])c(O)c4O[C@H]2C(=O)C=CC3[C@H]1C5 CN1CC[C@]23c4c5cc([N+](=O)[O-])c(O)c4O[C@H]2C(=O)C=CC3[C@H]1C5 0 19 2-amino-4,6-dimethylpyrimidine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9363c504-fbc5-45a1-9eed-23ad95201bc8 CC1=NC(=NC(=C1)C)N CC1=NC(=NC(=C1)C)N False Cc1cc(C)nc(N)n1 Cc1cc(C)nc(N)n1 0 20 2-keto-ethofumesate https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5e27c50c-c067-4e06-b416-4e6e37917921 CC1(C)C2=CC(=CC=C2OC1=O)OS(=O)(=O)C CC1(C)C2=CC(=CC=C2OC1=O)OS(=O)(=O)C False CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21 CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21 4 21 3-(Hydroxy-carboxymethyl) hydratopic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5806866a-8b94-436e-a004-230536369510 CC(C1=CC=CC(=C1)C(C(=O)O)O)C(=O)O CC(C1=CC=CC(=C1)C(C(=O)O)O)C(=O)O False CC(C(=O)O)c1cccc(C(O)C(=O)O)c1 CC(C(=O)O)c1cccc(C(O)C(=O)O)c1 0 22 3-(Keto-carboxymethyl)hydratopic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3c2c8079-d2a6-4e5a-8e9f-d000a0d921c6 CC(C1=CC=CC(=C1)C(=O)C(=O)O)C(=O)O CC(C1=CC=CC(=C1)C(=O)C(=O)O)C(=O)O False CC(C(=O)O)c1cccc(C(=O)C(=O)O)c1 CC(C(=O)O)c1cccc(C(=O)C(=O)O)c1 0 23 3-OH IBU https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/06732998-77b3-4790-8897-ff73e53ccec1 CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O False CC(C(=O)O)c1ccc(C(O)C(C)C)cc1 CC(C(=O)O)c1ccc(C(O)C(C)C)cc1 0 24 3A5MI https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3488fcd3-6732-45c8-a25e-8fd054362a30 CC1=CC(=NO1)N CC1=CC(=NO1)N False Cc1cc(N)no1 Cc1cc(N)no1 0 25 4-Cl Benzoic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c2593fb8-9dae-463c-85d1-e9d9ebc430d3 C1=C(C=CC(=C1)Cl)C(=O)O C1=C(C=CC(=C1)Cl)C(=O)O False O=C(O)c1ccc(Cl)cc1 O=C(O)c1ccc(Cl)cc1 3 26 4-OH Benzoic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1f5ad234-201f-4dc6-ae6b-0e583a067943 C1=C(C=CC(=C1)O)C(=O)O C1=C(C=CC(=C1)O)C(=O)O False O=C(O)c1ccc(O)cc1 O=C(O)c1ccc(O)cc1 0 27 4-desmethyl-TMP https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2b3a87e4-19c4-4553-8518-19956f5a2d58 COC1=CC(=CC(=C1O)OC)CC2=C(N)N=C(N)N=C2 COC1=CC(=CC(=C1O)OC)CC2=C(N)N=C(N)N=C2 False COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O 0 28 4-methylumbelliferone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/44d34cf8-a2a7-463d-9ae6-d800fa4db061 CC1=CC(=O)OC2=C1C=CC(=C2)O CC1=CC(=O)OC2=C1C=CC(=C2)O False Cc1cc(=O)oc2cc(O)ccc12 Cc1cc(=O)oc2cc(O)ccc12 0 29 4-methylumbelliferyl-beta-d-glucuronide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a3204ca7-9a54-407f-a8a4-2c91a1bda26a CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(C(=O)O)O3)O)O)O CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(C(=O)O)O3)O)O)O False Cc1cc(=O)oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc12 Cc1cc(=O)oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc12 0 30 5-hydroxy-15-methyl-13-oxatetracyclo[8.7.0.0 <2,7>.0.<11,15>]-heptadeca-2(7),3,5-trien-14-one (X1) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f551bc89-bdd6-4b43-8746-c663de80b417 CC12CCC3C4=CC=C(C=C4CCC3C2COC1=O)O CC12CCC3C4=CC=C(C=C4CCC3C2COC1=O)O False CC12CCC3c4ccc(O)cc4CCC3C1COC2=O CC12CCC3c4ccc(O)cc4CCC3C1COC2=O 0 31 5CMPDH https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2d7b20c0-9981-4dbe-b010-4a3f47bab096 CO/C=C/C(/C=C(\C(=O)O)/OC)CC1(C=NC(N)N=C1N)O CO/C=C/C(/C=C(\C(=O)O)/OC)CC1(C=NC(N)N=C1N)O False CO/C=C/C(/C=C(/OC)C(=O)O)CC1(O)C=NC(N)N=C1N CO/C=C/C(/C=C(/OC)C(=O)O)CC1(O)C=NC(N)N=C1N 0 32 5TPDH https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/58aa4cbc-2fce-41e3-8a9a-4299af2f92eb COC1=CC(=CC(=C1OC)OC)CC2(C=NC(N)N=C2N)O COC1=CC(=CC(=C1OC)OC)CC2(C=NC(N)N=C2N)O False COc1cc(CC2(O)C=NC(N)N=C2N)cc(OC)c1OC COc1cc(CC2(O)C=NC(N)N=C2N)cc(OC)c1OC 0 33 8,14-Dihydroxy-7,8-dihydrocodeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ea36b5f7-f138-4bc8-8209-c9a7b132805c CN1CC[C@@]23[C@H]4OC5=C2C(C[C@@H]1[C@@]3(C(C[C@@H]4O)O)O)=CC=C5OC CN1CC[C@@]23[C@H]4OC5=C2C(C[C@@H]1[C@@]3(C(C[C@@H]4O)O)O)=CC=C5OC False COc1ccc2c3c1O[C@H]1[C@@H](O)CC(O)[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1[C@@H](O)CC(O)[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 0 34 8,14-Dihydroxy-7,8-dihydrocodeinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/95b87eec-9496-4328-92c1-0143ab3a5a88 CN1[C@H]2[C@@](O)3C(O)CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O CN1[C@H]2[C@@](O)3C(O)CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O False COc1ccc2c3c1O[C@H]1C(=O)CC(O)[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1C(=O)CC(O)[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 0 35 8-Hydroxy-7,8-dihydrocodeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/56fef5e8-53f2-4aee-ad42-4a47064e5f15 CN1[C@H]2C3C(O)CC(O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 CN1[C@H]2C3C(O)CC(O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 False COc1ccc2c3c1O[C@H]1C(O)CC(O)C4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1C(O)CC(O)C4[C@@H](C2)N(C)CC[C@@]341 0 36 8-Hydroxy-7,8-dihydrocodeinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/12c86233-547c-48f5-89e3-d88cbe932a63 CN1[C@H]2C3C(O)CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O CN1[C@H]2C3C(O)CC([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O False COc1ccc2c3c1O[C@H]1C(=O)CC(O)C4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1C(=O)CC(O)C4[C@@H](C2)N(C)CC[C@@]341 0 37 8-Hydroxy-7,8-dihydromorphinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/faca53a8-8af4-4d79-86d0-4f0a8f33204c CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3C(CC(=O)[C@@H]2O5)O)O CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3C(CC(=O)[C@@H]2O5)O)O False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC(O)C3[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC(O)C3[C@H]1C5 0 38 ACE_PI_1 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1a0d7cdd-2d28-465f-aacc-ee36af64ea7b C/C(=C/C(=O)[O-])/OS(=O)(=O)N C/C(=C/C(=O)[O-])/OS(=O)(=O)N False C/C(=C/C(=O)O)OS(N)(=O)=O C/C(=C/C(=O)O)OS(N)(=O)=O 0 39 ACE_PI_2 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4ed58e5e-5908-4077-847d-f63580f77762 CC(=O)CC(=O)[O-] CC(=O)CC(=O)[O-] False CC(=O)CC(=O)O CC(=O)CC(=O)O 0 40 ACE_PI_3 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ce87707f-3923-4556-91e5-d4b567357045 CC1(CC(=O)[N-]S(=O)(=O)O1)O CC1(CC(=O)[N-]S(=O)(=O)O1)O False CC1(O)CC(=O)NS(=O)(=O)O1 CC1(O)CC(=O)NS(=O)(=O)O1 0 41 ACE_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ffcd42f4-e939-4524-acfc-fddec76d523a C1=C(CO)OS(=O)(=O)[N-]C1=O C1=C(CO)OS(=O)(=O)[N-]C1=O False O=C1C=C(CO)OS(=O)(=O)N1 O=C1C=C(CO)OS(=O)(=O)N1 0 42 ACE_TP_M180 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bd2b375f-876b-46f3-91ca-d6a3f4f7bc9d CC1C(C(=O)[N-]S(=O)(=O)O1)O CC1C(C(=O)[N-]S(=O)(=O)O1)O False CC1OS(=O)(=O)NC(=O)C1O CC1OS(=O)(=O)NC(=O)C1O 0 43 ACE_TP_M192 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b0fc9c68-a1da-49c5-826b-7a777086cd35 C(=O)C1C(=O)C(=O)[N-]S(=O)(=O)O1 C(=O)C1C(=O)C(=O)[N-]S(=O)(=O)O1 False O=CC1OS(=O)(=O)NC(=O)C1=O O=CC1OS(=O)(=O)NC(=O)C1=O 0 44 Ac-OH-SDZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/586b2c00-9a37-4a52-b28b-7e82bd2bac78 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O False O=C(O)CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 O=C(O)CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 0 45 Ac-OH-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a598a2dd-3eca-403c-a3d6-beddf81c6bfb CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O False Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)O)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)O)cc2)no1 0 46 Ac-OH-SMZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0af25032-1d6e-4068-9ef2-255187708d98 CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC(=CC=C2)NCC(=O)O CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC(=CC=C2)NCC(=O)O False Cc1cc(C)nc(NS(=O)(=O)c2cccc(NCC(=O)O)c2)n1 Cc1cc(C)nc(NS(=O)(=O)c2cccc(NCC(=O)O)c2)n1 0 47 Ac-OH-SPY https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/868e1700-6acc-4372-ad81-816209c35995 C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)O False O=C(O)CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 O=C(O)CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 0 48 Ac-OH-STZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/324e293c-f4ca-42a7-83b5-169c6c95b247 C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC(=O)O C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC(=O)O False O=C(O)CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 O=C(O)CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 0 50 Acetoacetamide-N-sulfonic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5635f8a3-6bc4-4f3c-a55e-e5747e23c277 CC(=O)CC(=O)NS(=O)(=O)[O-] CC(=O)CC(=O)NS(=O)(=O)[O-] False CC(=O)CC(=O)NS(=O)(=O)O CC(=O)CC(=O)NS(=O)(=O)O 0 51 Acetone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b9efa545-742f-47e1-8c30-dd1d461d5f7a CC(=O)C CC(=O)C False CC(C)=O CC(C)=O 0 55 Atenolol acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6ab16482-e5b2-4adb-ab40-605c4da3a64f CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O False CC(C)NCC(O)COc1ccc(CC(=O)O)cc1 CC(C)NCC(O)COc1ccc(CC(=O)O)cc1 0 57 Azoxystrobin acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c8734221-5d93-49ca-8ebd-dc1c184a45e5 CO/C=C(/C1=C(C=CC=C1)OC2=CC(=NC=N2)OC3=C(C=CC=C3)C#N)\C(=O)O CO/C=C(/C1=C(C=CC=C1)OC2=CC(=NC=N2)OC3=C(C=CC=C3)C#N)\C(=O)O False CO/C=C(\C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 CO/C=C(\C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1 0 58 BEB_TP_M208 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c14cc858-59d9-4f6c-aff5-da294c1aa6c8 CCN(CC(=O)O)C(=O)C1=CC=CC=C1 CCN(CC(=O)O)C(=O)C1=CC=CC=C1 False CCN(CC(=O)O)C(=O)c1ccccc1 CCN(CC(=O)O)C(=O)c1ccccc1 0 59 BEZ_TP_M224 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c5a4bfd6-58a4-4506-a9dc-7c6e593864b7 CC(C)(C(=O)O)OC1=CC=C(C=C1)CCN CC(C)(C(=O)O)OC1=CC=C(C=C1)CCN False CC(C)(Oc1ccc(CCN)cc1)C(=O)O CC(C)(Oc1ccc(CCN)cc1)C(=O)O 0 60 BEZ_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3aa2ab61-e900-486b-b5f4-a0da63bf3966 CC(C)(C(=O)O)OC1=CC(=C(CCN)C=C1O)O CC(C)(C(=O)O)OC1=CC(=C(CCN)C=C1O)O False CC(C)(Oc1cc(O)c(CCN)cc1O)C(=O)O CC(C)(Oc1cc(O)c(CCN)cc1O)C(=O)O 0 61 BEZ_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4d2bb941-b8c6-4812-848e-06dfe35d171f CC(C)(C(=O)O)OC1=C(C=C(CCN)C=C1O)O CC(C)(C(=O)O)OC1=C(C=C(CCN)C=C1O)O False CC(C)(Oc1c(O)cc(CCN)cc1O)C(=O)O CC(C)(Oc1c(O)cc(CCN)cc1O)C(=O)O 0 62 BEZ_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/68d648c8-c21e-45c2-baf3-b4681741996b CC(C)(C(=O)O)OC1=CC=C(CCN)C(=C1O)O CC(C)(C(=O)O)OC1=CC=C(CCN)C(=C1O)O False CC(C)(Oc1ccc(CCN)c(O)c1O)C(=O)O CC(C)(Oc1ccc(CCN)c(O)c1O)C(=O)O 0 63 BEZ_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3677933e-4cd3-4eb1-b6a6-ba2ab74f5fc3 CC(C)(C(=O)O)OC1=CC(=C(CCN)C(=C1)O)O CC(C)(C(=O)O)OC1=CC(=C(CCN)C(=C1)O)O False CC(C)(Oc1cc(O)c(CCN)c(O)c1)C(=O)O CC(C)(Oc1cc(O)c(CCN)c(O)c1)C(=O)O 0 64 BEZ_TP_M360 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c24f4762-2b7e-42ab-a16c-c1b00d5ce24d CC(C)(C(=O)O)OC1=CC=C(C=C1)/C=C/NC(=O)C2=CC=C(C=C2)Cl CC(C)(C(=O)O)OC1=CC=C(C=C1)/C=C/NC(=O)C2=CC=C(C=C2)Cl False CC(C)(Oc1ccc(/C=C/NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O CC(C)(Oc1ccc(/C=C/NC(=O)c2ccc(Cl)cc2)cc1)C(=O)O 0 66 BiP4_TP_M236 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e66442cf-1e75-414e-8ca7-db48f7c6ef8b CCCC(=O)N(C(C)C)C(C1=CC=CC=C1)O CCCC(=O)N(C(C)C)C(C1=CC=CC=C1)O False CCCC(=O)N(C(C)C)C(O)c1ccccc1 CCCC(=O)N(C(C)C)C(O)c1ccccc1 0 67 CAR_TP_M210 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/43c4868f-13d0-4a1f-b7e8-1eb86808d18a CC(C(=O)O)OC(=O)NC1=CC=CC=C1 CC(C(=O)O)OC(=O)NC1=CC=CC=C1 False CC(OC(=O)Nc1ccccc1)C(=O)O CC(OC(=O)Nc1ccccc1)C(=O)O 0 68 CLC_TP_M317 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0973cb2f-97f8-40b3-9ba6-ea2133278d02 CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O False CN1CCN(C(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 CN1CCN(C(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1 0 69 CLC_TP_M317 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c7c017f2-40f2-4298-936e-b95063026a5f CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=C(C=CC=C3)O CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=C(C=CC=C3)O False CN1CCN(C(c2ccc(Cl)cc2)c2ccccc2O)CC1 CN1CCN(C(c2ccc(Cl)cc2)c2ccccc2O)CC1 0 70 CLC_TP_M317 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/06e76964-b20e-44c9-bacc-5a1d2788c1f4 CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C(=C3)O)Cl CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C(=C3)O)Cl False CN1CCN(C(c2ccccc2)c2ccc(Cl)c(O)c2)CC1 CN1CCN(C(c2ccccc2)c2ccc(Cl)c(O)c2)CC1 0 71 CLC_TP_M317 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fedac274-d85d-4ab1-a1a6-efacc89a2b0a CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3O)Cl CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3O)Cl False CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2O)CC1 CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2O)CC1 0 72 CLC_TP_M317 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/98815977-be7a-43db-af77-5750c06cf550 CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)O CN1CCN(CC1)C(C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)O False CN1CCN(C(c2ccc(Cl)cc2)c2cccc(O)c2)CC1 CN1CCN(C(c2ccc(Cl)cc2)c2cccc(O)c2)CC1 0 73 CLO_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6a18134f-4f7e-434d-9075-d53da08c0c2f CC1(C)CON(CC2=CC=C(C=C2Cl)O)C1=O CC1(C)CON(CC2=CC=C(C=C2Cl)O)C1=O False CC1(C)CON(Cc2ccc(O)cc2Cl)C1=O CC1(C)CON(Cc2ccc(O)cc2Cl)C1=O 0 74 CLO_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f50a24b2-00e7-4845-85f9-fe10931c1afb CC1(C)CON(CC2=CC(=CC=C2Cl)O)C1=O CC1(C)CON(CC2=CC(=CC=C2Cl)O)C1=O False CC1(C)CON(Cc2cc(O)ccc2Cl)C1=O CC1(C)CON(Cc2cc(O)ccc2Cl)C1=O 0 75 CLO_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f0d63048-76df-4462-825d-3e146df943e6 CC1(C)CON(CC2=CC=CC(=C2Cl)O)C1=O CC1(C)CON(CC2=CC=CC(=C2Cl)O)C1=O False CC1(C)CON(Cc2cccc(O)c2Cl)C1=O CC1(C)CON(Cc2cccc(O)c2Cl)C1=O 0 76 CLO_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ed7653d5-a0aa-43bf-a697-56b4e0359e50 CC1(C)CON(CC2=C(C=CC=C2Cl)O)C1=O CC1(C)CON(CC2=C(C=CC=C2Cl)O)C1=O False CC1(C)CON(Cc2c(O)cccc2Cl)C1=O CC1(C)CON(Cc2c(O)cccc2Cl)C1=O 0 77 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b5c0983d-4e76-4645-87e6-ec63bb3d9672 CC1(C)CON(CC2=C(C(=CC(=C2)O)O)Cl)C1=O CC1(C)CON(CC2=C(C(=CC(=C2)O)O)Cl)C1=O False CC1(C)CON(Cc2cc(O)cc(O)c2Cl)C1=O CC1(C)CON(Cc2cc(O)cc(O)c2Cl)C1=O 0 78 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d61d62cb-a2fd-4d3c-b6a3-b7dad8a55ff6 CC1(C)CON(CC2=C(C(=CC=C2O)O)Cl)C1=O CC1(C)CON(CC2=C(C(=CC=C2O)O)Cl)C1=O False CC1(C)CON(Cc2c(O)ccc(O)c2Cl)C1=O CC1(C)CON(Cc2c(O)ccc(O)c2Cl)C1=O 0 79 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4517d1a4-b62a-4c1a-93af-157f07151e8a CC1(C)CON(CC2=C(C=C(C=C2Cl)O)O)C1=O CC1(C)CON(CC2=C(C=C(C=C2Cl)O)O)C1=O False CC1(C)CON(Cc2c(O)cc(O)cc2Cl)C1=O CC1(C)CON(Cc2c(O)cc(O)cc2Cl)C1=O 0 80 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e4799f66-e747-4d0b-8f53-bb140f0c9114 CC1(C)CON(CC2=CC=C(C(=C2Cl)O)O)C1=O CC1(C)CON(CC2=CC=C(C(=C2Cl)O)O)C1=O False CC1(C)CON(Cc2ccc(O)c(O)c2Cl)C1=O CC1(C)CON(Cc2ccc(O)c(O)c2Cl)C1=O 0 81 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5cfcb717-e42c-47c0-9df2-908be5e74d75 CC1(C)CON(CC2=C(C=C(C(=C2)O)O)Cl)C1=O CC1(C)CON(CC2=C(C=C(C(=C2)O)O)Cl)C1=O False CC1(C)CON(Cc2cc(O)c(O)cc2Cl)C1=O CC1(C)CON(Cc2cc(O)c(O)cc2Cl)C1=O 0 82 CLO_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fd33478b-e287-40b8-9cc2-511c984b34fd CC1(C)CON(CC2=C(C(=CC=C2Cl)O)O)C1=O CC1(C)CON(CC2=C(C(=CC=C2Cl)O)O)C1=O False CC1(C)CON(Cc2c(Cl)ccc(O)c2O)C1=O CC1(C)CON(Cc2c(Cl)ccc(O)c2O)C1=O 0 83 CO2 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1f40f818-b02d-48f0-a31b-a5bebedee1f5 C(=O)=O C(=O)=O False O=C=O O=C=O 1 84 COD_TP_328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/324c477a-fc4e-4c23-992a-4f29a58787e8 CN1[C@H]2[C@@](O)3C=C(O)C([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O CN1[C@H]2[C@@](O)3C=C(O)C([C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O False COc1ccc2c3c1O[C@H]1C(=O)C(O)=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1C(=O)C(O)=C[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 0 85 COD_TP_M314 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a9cd011a-21a0-4a1c-b908-7bdf0b363340 CN1[C@@H]2C3C=C(O)C([C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1)=O CN1[C@@H]2C3C=C(O)C([C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1)=O False COc1ccc2c3c1O[C@@H]1C(=O)C(O)=CC4[C@H](C2)N(C)CC[C@]341 COc1ccc2c3c1O[C@@H]1C(=O)C(O)=CC4[C@H](C2)N(C)CC[C@]341 0 86 COD_TP_M330 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7a9f4cdd-dfa6-428b-8a1e-e20d118ee64a CN1[C@@H]2C3=CC(O)(C(O)=O)[C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1 CN1[C@@H]2C3=CC(O)(C(O)=O)[C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1 False COc1ccc2c3c1O[C@@H]1C(O)(C(=O)O)C=C4[C@H](C2)N(C)CC[C@@]431 COc1ccc2c3c1O[C@@H]1C(O)(C(=O)O)C=C4[C@H](C2)N(C)CC[C@@]431 0 87 COD_TP_M332 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6125ac1e-b3a0-4e72-ae89-9567c2ef18db CN1[C@H]2C3C(O)C([C@H](O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O CN1[C@H]2C3C(O)C([C@H](O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1)=O False COc1ccc2c3c1O[C@H]1[C@@H](O)C(=O)C(O)C4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1[C@@H](O)C(=O)C(O)C4[C@@H](C2)N(C)CC[C@@]341 0 88 COD_TP_M346 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/921044a0-9472-4b55-a6d5-29da6049d222 CN1CCC23C(=CC(=O)O)C1CC4=CC=C(C(=C42)OC3C(=O)O)OC CN1CCC23C(=CC(=O)O)C1CC4=CC=C(C(=C42)OC3C(=O)O)OC False COc1ccc2c3c1OC(C(=O)O)C31CCN(C)C(C2)C1=CC(=O)O COc1ccc2c3c1OC(C(=O)O)C31CCN(C)C(C2)C1=CC(=O)O 0 89 COD_TP_M348 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4d937229-21c5-43a3-9d0d-253bd1a5f649 CN1[C@H]2[C@](O)3CC(O)(C(O)=O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 CN1[C@H]2[C@](O)3CC(O)(C(O)=O)[C@@H]4OC5C(OC)=CC=C(C2)C=5[C@]34CC1 False COc1ccc2c3c1O[C@H]1C(O)(C(=O)O)C[C@]4(O)[C@@H](C2)N(C)CC[C@]314 COc1ccc2c3c1O[C@H]1C(O)(C(=O)O)C[C@]4(O)[C@@H](C2)N(C)CC[C@]314 0 90 CPP_TP_M329 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/01344b5d-9af8-490c-82ba-c4cb9718d641 CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl False CC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 CC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 0 91 CPP_TP_M387 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d658d2ff-8e0d-4cd5-9add-bf2a4f4f9cf3 C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)CCC(=O)O C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C(=O)CCC(=O)O False O=C(O)CCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 O=C(O)CCC(=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 0 92 CTR_TP_M311 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/97a5ed0c-a193-4036-a1eb-ccc1a9427e85 CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N False CNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 CNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 0 93 CTR_TP_M329 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6d6ac068-0942-4b14-88a4-3a1dad38de9b CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N False CNCCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 CNCCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 0 94 CTR_TP_M330 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1d3fbc0d-930f-4a82-8fd3-33904654b52b CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O CNCCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O False CNCCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 CNCCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 0 95 CTR_TP_M339A https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7f6d97ec-4674-4c36-a275-696b9f6aec11 CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C#N CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C#N False CN(C)CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 CN(C)CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 0 96 CTR_TP_M341 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b2a68a09-2f3c-4500-ae6f-b9c4035c591c C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N)[O-] C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N)[O-] False C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 0 97 CTR_TP_M343 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1c416cab-add1-4c6c-82af-278cc88e9d5c CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N False CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 0 98 CTR_TP_M344 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7e5b111e-cf7c-48de-8254-b537c55d50f6 CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O False CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 0 99 CTR_TP_M355 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ebdf6537-d50b-4e1c-9340-92eabae33a87 C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C#N)[O-] C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C#N)[O-] False C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C#N)ccc21 0 100 CTR_TP_M357 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6167e004-360b-4fae-8dbd-3a3486cb00ed CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C(=O)N CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3C(=O)O1)C(=O)N False CN(C)CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C(N)=O)ccc21 CN(C)CCCC1(c2ccc(F)cc2)OC(=O)c2cc(C(N)=O)ccc21 0 101 CTR_TP_M359A https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7ef1c2b5-d479-4304-b9fd-ead188a0aea6 CN(C)CC(CC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N)O CN(C)CC(CC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N)O False CN(C)CC(O)CC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 CN(C)CC(O)CC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 0 102 CTR_TP_M359B https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c7bfc99a-ed96-49a3-995e-5b9d51746bcf C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N)[O-] C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)N)[O-] False C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C(N)=O)ccc21 0 103 CTR_TP_M360A https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/97eceb48-8a61-4672-987e-a189d1da7e2b C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O)[O-] C[N+](C)(CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O)[O-] False C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 C[N+](C)([O-])CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 0 104 CTR_TP_M360B https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6460d47f-5028-4b79-9f0b-e59a157dd414 CN(C)CC(CC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O)O CN(C)CC(CC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C(=O)O)O False CN(C)CC(O)CC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 CN(C)CC(O)CC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 0 106 Carboxy-Acyclovir https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/32a20868-7c79-4196-8ac5-3fa6ea6bdf9d C(C(=O)O)OCN1C=NC2=C1NC(=NC2=O)N C(C(=O)O)OCN1C=NC2=C1NC(=NC2=O)N False Nc1nc(=O)c2ncn(COCC(=O)O)c2[nH]1 Nc1nc(=O)c2ncn(COCC(=O)O)c2[nH]1 0 107 Carboxyhydratropic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bbb61beb-fcaf-4104-b231-39798bdbb8d4 CC(C1=CC=C(C=C1)C(=O)O)C(=O)O CC(C1=CC=C(C=C1)C(=O)O)C(=O)O False CC(C(=O)O)c1ccc(C(=O)O)cc1 CC(C(=O)O)c1ccc(C(=O)O)cc1 0 108 Carboxyibuprofen https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b8d557fb-2746-489c-8579-4eb195bdf6f0 CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)O False CC(Cc1ccc(C(C)C(=O)O)cc1)C(=O)O CC(Cc1ccc(C(C)C(=O)O)cc1)C(=O)O 0 109 Chlorcyclizine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e0770d09-23ba-4be1-9db8-17de04b8e834 CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl False CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1 0 111 Citalopram https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f2f3678f-5464-47d5-bcc7-5c53db574867 CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N CN(C)CCCC1(C2=CC=C(C=C2)F)C3=CC=C(C=C3CO1)C#N False CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 0 112 Clenisopenterol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5a97d834-6b2f-4e70-9b8a-7d38abd24bf0 CC(C)CCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O CC(C)CCNCC(C1=CC(=C(C(=C1)Cl)N)Cl)O False CC(C)CCNCC(O)c1cc(Cl)c(N)c(Cl)c1 CC(C)CCNCC(O)c1cc(Cl)c(N)c(Cl)c1 0 113 Clofibric acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2cc3447b-936f-44a0-a46f-1a601185a028 CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl False CC(C)(Oc1ccc(Cl)cc1)C(=O)O CC(C)(Oc1ccc(Cl)cc1)C(=O)O 0 114 Clomazone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cde045e6-207b-493d-840b-f4ea49f2ef62 CC1(C)CON(CC2=C(C=CC=C2)Cl)C1=O CC1(C)CON(CC2=C(C=CC=C2)Cl)C1=O False CC1(C)CON(Cc2ccccc2Cl)C1=O CC1(C)CON(Cc2ccccc2Cl)C1=O 6 115 Codeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a76984ef-4518-4e83-a3c2-16519b6e7772 [C@]123CCN(C)[C@H]4C1C=C[C@H](O)[C@@H]2OC1=C(OC)C=CC(C4)=C31 [C@]123CCN(C)[C@H]4C1C=C[C@H](O)[C@@H]2OC1=C(OC)C=CC(C4)=C31 False COc1ccc2c3c1O[C@H]1[C@@H](O)C=CC4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1[C@@H](O)C=CC4[C@@H](C2)N(C)CC[C@@]341 0 116 Codeinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/10dfc49c-0e20-48da-bbc9-ab9f3e194db6 [C@]123CCN(C)[C@H]4C1C=CC(=O)[C@@H]2OC1=C(OC)C=CC(C4)=C31 [C@]123CCN(C)[C@H]4C1C=CC(=O)[C@@H]2OC1=C(OC)C=CC(C4)=C31 False COc1ccc2c3c1O[C@H]1C(=O)C=CC4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1C(=O)C=CC4[C@@H](C2)N(C)CC[C@@]341 0 117 DAPC https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/667f881e-c18f-48d0-b3d7-c146cb95c0c5 C1=NC(=NC(=C1C(=O)O)N)N C1=NC(=NC(=C1C(=O)O)N)N False Nc1ncc(C(=O)O)c(N)n1 Nc1ncc(C(=O)O)c(N)n1 0 118 DCA https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/122f6319-f4fb-4847-af64-d3928ccb8c89 C1=C(C=C(C(=C1)Cl)Cl)N C1=C(C=C(C(=C1)Cl)Cl)N False Nc1ccc(Cl)c(Cl)c1 Nc1ccc(Cl)c(Cl)c1 5 119 DCA_TP_M142 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d83f2859-82e2-4528-b188-1af84604f228 CNC1=CC=C(C=C1)Cl CNC1=CC=C(C=C1)Cl False CNc1ccc(Cl)cc1 CNc1ccc(Cl)cc1 0 120 DCA_TP_M170 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b1afe462-b15a-4797-9871-390f134fe67e CN(C=O)C1=CC=C(C=C1)Cl CN(C=O)C1=CC=C(C=C1)Cl False CN(C=O)c1ccc(Cl)cc1 CN(C=O)c1ccc(Cl)cc1 0 121 DCA_TP_M172 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/603a5ead-d063-4b04-b5c2-a135e624a1ec CN(C)C1=CC=C(C(=C1)O)Cl CN(C)C1=CC=C(C(=C1)O)Cl False CN(C)c1ccc(Cl)c(O)c1 CN(C)c1ccc(Cl)c(O)c1 0 122 DCA_TP_M172 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/97fa1d3a-5889-4140-beee-f2e538259d98 CN(C)C1=CC=C(C=C1O)Cl CN(C)C1=CC=C(C=C1O)Cl False CN(C)c1ccc(Cl)cc1O CN(C)c1ccc(Cl)cc1O 0 123 DCA_TP_M172 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bf7b1dee-cf69-4a61-8c51-8e6a02ec13e6 CN(CO)C1=CC=C(C=C1)Cl CN(CO)C1=CC=C(C=C1)Cl False CN(CO)c1ccc(Cl)cc1 CN(CO)c1ccc(Cl)cc1 0 124 DCPMU https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f1f56a47-e061-47f6-bf55-8fa424b2b7a6 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl CNC(=O)NC1=CC=C(C(=C1)Cl)Cl False CNC(=O)Nc1ccc(Cl)c(Cl)c1 CNC(=O)Nc1ccc(Cl)c(Cl)c1 2 125 DCPU https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7d751ba6-0283-46be-b20a-1a1e33b569f0 C1=C(C=C(C(=C1)Cl)Cl)NC(=O)N C1=C(C=C(C(=C1)Cl)Cl)NC(=O)N False NC(=O)Nc1ccc(Cl)c(Cl)c1 NC(=O)Nc1ccc(Cl)c(Cl)c1 1 127 DEET_TP_M164 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/391a4eeb-2de6-4f27-a2de-ca8d372cb2a2 CCNC(=O)C1=CC(=CC=C1)C CCNC(=O)C1=CC(=CC=C1)C False CCNC(=O)c1cccc(C)c1 CCNC(=O)c1cccc(C)c1 0 128 DEET_TP_M222 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5e105f90-6fe7-40d2-ad69-47d74e1ad78e CCN(CC)C(=O)C1=CC=CC(=C1)C(=O)O CCN(CC)C(=O)C1=CC=CC(=C1)C(=O)O False CCN(CC)C(=O)c1cccc(C(=O)O)c1 CCN(CC)C(=O)c1cccc(C(=O)O)c1 0 129 DEP_TP_M150 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9d36462b-2c04-4cde-b395-b67bdfc16164 CC(CC1=CC=CC=C1)NC CC(CC1=CC=CC=C1)NC False CNC(C)Cc1ccccc1 CNC(C)Cc1ccccc1 0 130 DEP_TP_M174 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bf888db2-7b6c-4f97-8e6a-b30fdf52b520 C#CCNC(C)CC1=CC=CC=C1 C#CCNC(C)CC1=CC=CC=C1 False C#CCNC(C)Cc1ccccc1 C#CCNC(C)Cc1ccccc1 0 131 DEP_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/64badcdd-fbcb-49f6-991c-84c80ff8a332 CC(CC1=CC=CC=C1)N(C)C=O CC(CC1=CC=CC=C1)N(C)C=O False CC(Cc1ccccc1)N(C)C=O CC(Cc1ccccc1)N(C)C=O 0 132 DEP_TP_M202 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9d24b0e1-1ea8-424a-b309-6c73c4d3ff8d C#CC(=O)N(C)C(C)CC1=CC=CC=C1 C#CC(=O)N(C)C(C)CC1=CC=CC=C1 False C#CC(=O)N(C)C(C)Cc1ccccc1 C#CC(=O)N(C)C(C)Cc1ccccc1 0 133 DEP_TP_M202 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2d3d44b6-3317-484b-87af-2041f0629464 C#CCN(C=O)C(C)CC1=CC=CC=C1 C#CCN(C=O)C(C)CC1=CC=CC=C1 False C#CCN(C=O)C(C)Cc1ccccc1 C#CCN(C=O)C(C)Cc1ccccc1 0 134 DEP_TP_M204 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c8fc70ce-48ac-4fc3-b7e6-034882c5074f C#CC[N+](C)(C(C)CC1=CC=CC=C1)[O-] C#CC[N+](C)(C(C)CC1=CC=CC=C1)[O-] False C#CC[N+](C)([O-])C(C)Cc1ccccc1 C#CC[N+](C)([O-])C(C)Cc1ccccc1 0 135 DEP_TP_M204 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1919ba1a-7b2c-42c9-9483-0e92c475a08c C#CC(N(C)C(C)CC1=CC=CC=C1)O C#CC(N(C)C(C)CC1=CC=CC=C1)O False C#CC(O)N(C)C(C)Cc1ccccc1 C#CC(O)N(C)C(C)Cc1ccccc1 0 136 DEP_TP_M204 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d8b6cc08-49cd-473c-bd7f-0dd64d16a781 C#CCN(CO)C(C)CC1=CC=CC=C1 C#CCN(CO)C(C)CC1=CC=CC=C1 False C#CCN(CO)C(C)Cc1ccccc1 C#CCN(CO)C(C)Cc1ccccc1 0 137 DEP_TP_M204 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/82802058-b713-4abf-a3f8-6bdaa34ee87e CC(CC1=CC=CC=C1)N(C)CC#CO CC(CC1=CC=CC=C1)N(C)CC#CO False CC(Cc1ccccc1)N(C)CC#CO CC(Cc1ccccc1)N(C)CC#CO 0 138 DEP_TP_M216 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/59106bf5-e872-4866-b198-46ab9f784bf5 C#CCN(C(C)CC1=CC=CC=C1)C(=O)C C#CCN(C(C)CC1=CC=CC=C1)C(=O)C False C#CCN(C(C)=O)C(C)Cc1ccccc1 C#CCN(C(C)=O)C(C)Cc1ccccc1 0 139 DF_TP_M250 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3ec251c2-2390-48d3-8e99-3bb0cba16ac7 C1=CC2=C(C=C1)[NH+](C2)C3=C(C=CC=C3Cl)Cl C1=CC2=C(C=C1)[NH+](C2)C3=C(C=CC=C3Cl)Cl False Clc1cccc(Cl)c1N1Cc2ccccc21 Clc1cccc(Cl)c1N1Cc2ccccc21 0 140 DIA_TP_271 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9d191e61-b590-4754-8356-7c3df093b9cf C1=CC=C(C=C1)/C/2=N/CC(=O)NC3=C2C=C(C=C3)Cl C1=CC=C(C=C1)/C/2=N/CC(=O)NC3=C2C=C(C=C3)Cl False O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 0 141 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/eeedd138-aef5-45cd-bc51-2dda05d85993 CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=CC=C(C=C3)O CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=CC=C(C=C3)O False CN1C(=O)CN=C(c2ccc(O)cc2)c2cc(Cl)ccc21 CN1C(=O)CN=C(c2ccc(O)cc2)c2cc(Cl)ccc21 0 142 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/59f6d4ae-49e7-455a-a7dc-6f0c1a0dd5ee CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=CC(=CC=C3)O CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=CC(=CC=C3)O False CN1C(=O)CN=C(c2cccc(O)c2)c2cc(Cl)ccc21 CN1C(=O)CN=C(c2cccc(O)c2)c2cc(Cl)ccc21 0 143 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c542a8a7-197a-4d9d-895e-796e2a8fda53 CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=C(C=CC=C3)O CN1C2=C(C=C(C=C2)Cl)/C(=N\CC1=O)/C3=C(C=CC=C3)O False CN1C(=O)CN=C(c2ccccc2O)c2cc(Cl)ccc21 CN1C(=O)CN=C(c2ccccc2O)c2cc(Cl)ccc21 0 144 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c904c9e8-1c82-4f18-9660-eecf790b6fd4 CN1C2=C(C=C(C(=C2)O)Cl)/C(=N\CC1=O)/C3=CC=CC=C3 CN1C2=C(C=C(C(=C2)O)Cl)/C(=N\CC1=O)/C3=CC=CC=C3 False CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)c(O)cc21 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)c(O)cc21 0 145 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7666e261-0c35-416f-91ce-433523d647d7 CN1C2=CC=C(C(=C2/C(=N\CC1=O)/C3=CC=CC=C3)O)Cl CN1C2=CC=C(C(=C2/C(=N\CC1=O)/C3=CC=CC=C3)O)Cl False CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2O CN1C(=O)CN=C(c2ccccc2)c2c1ccc(Cl)c2O 0 146 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0891922f-1d55-462f-b497-cc7db6c55afa CN1C2=C(C=C(C=C2)Cl)/C(=N\C(C1=O)O)/C3=CC=CC=C3 CN1C2=C(C=C(C=C2)Cl)/C(=N\C(C1=O)O)/C3=CC=CC=C3 False CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21 CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21 0 147 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0fb05cf1-3d62-4e22-9f34-6d9e315731b0 C1=CC=C(C=C1)/C/2=N/CC(=O)N(CO)C3=C2C=C(C=C3)Cl C1=CC=C(C=C1)/C/2=N/CC(=O)N(CO)C3=C2C=C(C=C3)Cl False O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CO O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CO 0 148 DIA_TP_301 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9f451975-ee7d-439e-bdef-3c534375ea1d CN1C(=O)C/N=C(/C2=CC=CC=C2)\C3=CC(=CC(=C31)O)Cl CN1C(=O)C/N=C(/C2=CC=CC=C2)\C3=CC(=CC(=C31)O)Cl False CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)cc(O)c21 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)cc(O)c21 0 152 Diclofenac https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4d413ae7-ef11-4259-83e6-630c3913d586 C1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)Cl)CC(=O)O C1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)Cl)CC(=O)O False O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl 0 153 Dihydrocodeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f3990212-60b3-4b18-9149-c30a17d4d33a CN1CC[C@@]23C4CC[C]([C]2OC5=C3C(=CC=C5OC)C[C]41)O CN1CC[C@@]23C4CC[C]([C]2OC5=C3C(=CC=C5OC)C[C]41)O False COc1ccc2c3c1O[C]1[C](O)CCC4[C](C2)N(C)CC[C@@]134 COc1ccc2c3c1O[C]1[C](O)CCC4[C](C2)N(C)CC[C@@]134 0 154 Dihydropterin-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/09413747-bf07-4341-bd50-dd3370bca96f CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(NC3)NC(N)NC4=O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(NC3)NC(N)NC4=O False Cc1cc(NS(=O)(=O)c2ccc(NCC3=NC4=C(NC3)NC(N)NC4=O)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC3=NC4=C(NC3)NC(N)NC4=O)cc2)no1 0 155 Diuron https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/540f6161-f904-43b4-9fdd-5871f39148dd CN(C)C(=O)NC1=CC=C(C(=C1)Cl)Cl CN(C)C(=O)NC1=CC=C(C(=C1)Cl)Cl False CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 9 156 E1_TP_M290 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a8fc4f76-353c-4681-b7f2-b96281eb74d5 CC1(CCC2C3=CC=C(C=C3CCC2C1CO)O)C(=O)O CC1(CCC2C3=CC=C(C=C3CCC2C1CO)O)C(=O)O False CC1(C(=O)O)CCC2c3ccc(O)cc3CCC2C1CO CC1(C(=O)O)CCC2c3ccc(O)cc3CCC2C1CO 0 157 EEaB2_TP_M138 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/79661cdd-f47e-4d6f-93b2-3b7c977806ad C1=CC(=C(C=C1)N)C(=O)O C1=CC(=C(C=C1)N)C(=O)O False Nc1ccccc1C(=O)O Nc1ccccc1C(=O)O 0 158 EEaB2_TP_M165 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7e1dcd6b-2e37-431c-8769-ad3a8a4757a9 CCNC(=O)C1=C(C=CC=C1)N CCNC(=O)C1=C(C=CC=C1)N False CCNC(=O)c1ccccc1N CCNC(=O)c1ccccc1N 0 159 EEaB_TP_M138 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bb24e46c-9f8b-4aa0-9b89-25ba71eb2a55 C1=C(C=CC(=C1)N)C(=O)O C1=C(C=CC(=C1)N)C(=O)O False Nc1ccc(C(=O)O)cc1 Nc1ccc(C(=O)O)cc1 0 160 EEclB2_TP_M184 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8291d489-c3d4-4212-8192-8bca9545fb8a CCNC(=O)C1=C(C=CC=C1)Cl CCNC(=O)C1=C(C=CC=C1)Cl False CCNC(=O)c1ccccc1Cl CCNC(=O)c1ccccc1Cl 0 161 EEclB2_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2fd7476f-b0e3-460d-a3db-8e96ae1cb5f0 CCN(CC)C(=O)C1=CC=CC(=C1Cl)O CCN(CC)C(=O)C1=CC=CC(=C1Cl)O False CCN(CC)C(=O)c1cccc(O)c1Cl CCN(CC)C(=O)c1cccc(O)c1Cl 0 162 EEclB2_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8fd9b060-c06c-44cf-ab39-85d94b58f7c8 CCN(CC)C(=O)C1=CC(=CC=C1Cl)O CCN(CC)C(=O)C1=CC(=CC=C1Cl)O False CCN(CC)C(=O)c1cc(O)ccc1Cl CCN(CC)C(=O)c1cc(O)ccc1Cl 0 163 EEclB2_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/aaa12d24-1d59-4acd-b2bf-42248fd7142c CCN(CC)C(=O)C1=C(C=CC=C1Cl)O CCN(CC)C(=O)C1=C(C=CC=C1Cl)O False CCN(CC)C(=O)c1c(O)cccc1Cl CCN(CC)C(=O)c1c(O)cccc1Cl 0 164 EEclB2_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/139f810c-e9c7-47d1-ae51-b5fd0dce859a CCN(CC)C(=O)C1=CC=C(C=C1Cl)O CCN(CC)C(=O)C1=CC=C(C=C1Cl)O False CCN(CC)C(=O)c1ccc(O)cc1Cl CCN(CC)C(=O)c1ccc(O)cc1Cl 0 165 EEclB2_TP_M242 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4c4b1c95-1272-406b-967e-de73f5bf4787 CCN(CC(=O)O)C(=O)C1=C(C=CC=C1)Cl CCN(CC(=O)O)C(=O)C1=C(C=CC=C1)Cl False CCN(CC(=O)O)C(=O)c1ccccc1Cl CCN(CC(=O)O)C(=O)c1ccccc1Cl 0 166 EEclB_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/07ba4454-d268-4be5-b0e7-74afd36ff931 CCN(CC)C(=O)C1=CC=CC=C1 CCN(CC)C(=O)C1=CC=CC=C1 False CCN(CC)C(=O)c1ccccc1 CCN(CC)C(=O)c1ccccc1 0 167 EEclB_TP_M184 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c783c042-fba4-48f5-bfd2-2d27c03dec77 CCNC(=O)C1=CC=C(C=C1)Cl CCNC(=O)C1=CC=C(C=C1)Cl False CCNC(=O)c1ccc(Cl)cc1 CCNC(=O)c1ccc(Cl)cc1 0 168 EEclB_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c44e05e0-d341-428d-b823-586736a8c276 CCN(CC)C(=O)C1=CC=C(C(=C1)O)Cl CCN(CC)C(=O)C1=CC=C(C(=C1)O)Cl False CCN(CC)C(=O)c1ccc(Cl)c(O)c1 CCN(CC)C(=O)c1ccc(Cl)c(O)c1 0 169 EEclB_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ab5b9ed5-e7ae-4c83-9053-c71cc4d2e29c CCN(CC)C(=O)C1=CC=C(C=C1O)Cl CCN(CC)C(=O)C1=CC=C(C=C1O)Cl False CCN(CC)C(=O)c1ccc(Cl)cc1O CCN(CC)C(=O)c1ccc(Cl)cc1O 0 170 EEclB_TP_M242 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ad32b013-5907-49a1-9a79-be84d8d51056 CCN(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl CCN(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl False CCN(CC(=O)O)C(=O)c1ccc(Cl)cc1 CCN(CC(=O)O)C(=O)c1ccc(Cl)cc1 0 171 EEp2_TP_M206 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0df56630-3c1a-4ca8-bafd-14ee9952a954 CCN(CC)C(=O)C(=O)C1=CC=CC=C1 CCN(CC)C(=O)C(=O)C1=CC=CC=C1 False CCN(CC)C(=O)C(=O)c1ccccc1 CCN(CC)C(=O)C(=O)c1ccccc1 0 172 EEp2_TP_M208 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/64d543e6-5dd0-4d31-8af0-52cad2b4403d CCN(CC)C(=O)C(C1=CC=CC=C1)O CCN(CC)C(=O)C(C1=CC=CC=C1)O False CCN(CC)C(=O)C(O)c1ccccc1 CCN(CC)C(=O)C(O)c1ccccc1 0 173 EP5_TP_M222 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3156d361-d1db-42ce-b7e3-7d22cf1fbf8d CCN(C1=CC=CC=C1)C(=O)C(C)C(=O)O CCN(C1=CC=CC=C1)C(=O)C(C)C(=O)O False CCN(C(=O)C(C)C(=O)O)c1ccccc1 CCN(C(=O)C(C)C(=O)O)c1ccccc1 0 174 EP5_TP_M234 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4a76bb8d-bdc4-40f3-94cd-96b86275cd41 CCC(=O)C(C)C(=O)N(CC)C1=CC=CC=C1 CCC(=O)C(C)C(=O)N(CC)C1=CC=CC=C1 False CCC(=O)C(C)C(=O)N(CC)c1ccccc1 CCC(=O)C(C)C(=O)N(CC)c1ccccc1 0 175 EP5_TP_M236 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/75789cb1-6cf0-480a-a5b3-bb1fbf9e6979 CCC(C(C)C(=O)N(CC)C1=CC=CC=C1)O CCC(C(C)C(=O)N(CC)C1=CC=CC=C1)O False CCC(O)C(C)C(=O)N(CC)c1ccccc1 CCC(O)C(C)C(=O)N(CC)c1ccccc1 0 176 EmP2_TP_M208 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d660de43-b7ee-44d2-8dfc-ce19fba202ff CCN(C(=O)C)C1=C(C=CC=C1)C(=O)O CCN(C(=O)C)C1=C(C=CC=C1)C(=O)O False CCN(C(C)=O)c1ccccc1C(=O)O CCN(C(C)=O)c1ccccc1C(=O)O 0 179 FEN_TP_M204 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b8800fe3-e4c3-452d-8659-dbfd91bec20b CC(CC1=CC=CC(=C1)C(F)(F)F)N CC(CC1=CC=CC(=C1)C(F)(F)F)N False CC(N)Cc1cccc(C(F)(F)F)c1 CC(N)Cc1cccc(C(F)(F)F)c1 0 180 FEN_TP_M220 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fb564ffa-f2d9-495e-9ffb-c24e5d3aee3b CC(CC1=CC=CC(=C1)C(F)(F)F)NO CC(CC1=CC=CC(=C1)C(F)(F)F)NO False CC(Cc1cccc(C(F)(F)F)c1)NO CC(Cc1cccc(C(F)(F)F)c1)NO 0 181 FEN_TP_M246 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6028c810-fe0d-4c22-8cc3-b384a380a2dd CC(CC1=CC=CC(=C1)C(F)(F)F)NC(=O)C CC(CC1=CC=CC(=C1)C(F)(F)F)NC(=O)C False CC(=O)NC(C)Cc1cccc(C(F)(F)F)c1 CC(=O)NC(C)Cc1cccc(C(F)(F)F)c1 0 182 FEN_TP_M246 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f2e65885-2ac1-47ab-827f-b5faca311fe7 CCNC(C)C(=O)C1=CC=CC(=C1)C(F)(F)F CCNC(C)C(=O)C1=CC=CC(=C1)C(F)(F)F False CCNC(C)C(=O)c1cccc(C(F)(F)F)c1 CCNC(C)C(=O)c1cccc(C(F)(F)F)c1 0 183 FEN_TP_M246 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a7a44347-d35d-46d0-9e69-bf3f1dc53cd4 CCNC(CC1=CC=CC(=C1)C(F)(F)F)C=O CCNC(CC1=CC=CC(=C1)C(F)(F)F)C=O False CCNC(C=O)Cc1cccc(C(F)(F)F)c1 CCNC(C=O)Cc1cccc(C(F)(F)F)c1 0 184 FEN_TP_M246 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8d50785b-e79c-4658-a5be-93d8d8b7f798 CC(CC1=CC=CC(=C1)C(F)(F)F)NCC=O CC(CC1=CC=CC(=C1)C(F)(F)F)NCC=O False CC(Cc1cccc(C(F)(F)F)c1)NCC=O CC(Cc1cccc(C(F)(F)F)c1)NCC=O 0 185 FLU_TP_M352 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/011e0a81-59b2-49ca-9630-a63f5d890835 CC(=O)CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F CC(=O)CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F False CC(=O)CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CC(=O)CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 186 FLU_TP_M352 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/92d09d85-c7ca-4ab0-b7bc-041a89b76f3c CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC=O CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC=O False CN(CC=O)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CN(CC=O)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 187 FLU_TP_M352 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/66b24d9c-fdd3-4302-a587-4a2ff1e73181 CC(=O)N(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F CC(=O)N(C)CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F False CC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 188 FLU_TP_M352 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c18b18eb-819a-4981-b2f5-c61e0a0c904f C1=CC=C(C=C1)C(CCNCCC=O)OC2=CC=C(C=C2)C(F)(F)F C1=CC=C(C=C1)C(CCNCCC=O)OC2=CC=C(C=C2)C(F)(F)F False O=CCCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 O=CCCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 189 FLU_TP_M352 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/00fbf9fc-9a20-47a5-8906-e576a2026e06 C1=CC=C(C=C1)C(CCNC/C=C/O)OC2=CC=C(C=C2)C(F)(F)F C1=CC=C(C=C1)C(CCNC/C=C/O)OC2=CC=C(C=C2)C(F)(F)F False O/C=C/CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 O/C=C/CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 190 FLU_TP_M410 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3e5fb408-acf0-4533-b1b0-53b6f602c9e8 CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=O)CCC(=O)O CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=O)CCC(=O)O False CN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC(=O)O CN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC(=O)O 0 191 Feniramine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e758f304-c14a-4c77-98be-dfbfb022a93c CCNC(C)CC1=CC=CC(=C1)C(F)(F)F CCNC(C)CC1=CC=CC(=C1)C(F)(F)F False CCNC(C)Cc1cccc(C(F)(F)F)c1 CCNC(C)Cc1cccc(C(F)(F)F)c1 0 192 Fluoxetine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/29906adc-a505-400b-923b-4968231f6a47 CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F False CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 193 Glibenclamide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bd0e3908-e19d-43a3-ae68-a969169d3728 COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl False COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1 0 194 Glibenclamide hydroxide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b8f0cb08-0bde-4195-906c-c2fb1489bbba COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3O)Cl COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3O)Cl False COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2O)cc1 COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2O)cc1 0 195 Glibenclamide hydroxide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f61a3a04-8d2b-4b60-98f4-f6130abdf6b9 COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)O)Cl COC1=CC=C(C=C1C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)O)Cl False COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCC(O)CC2)cc1 COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCC(O)CC2)cc1 0 196 Glibenclamide hydroxide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3b86c835-fad3-4979-b772-ec456a6f0ff8 COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCC(O)C1 COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCC(O)C1 False COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCC(O)C2)cc1 COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCC(O)C2)cc1 0 197 Glucuronic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/668f8144-a239-4154-bb63-108ea18c8060 C1(C(C(C(=O)O)OC(C1O)O)O)O C1(C(C(C(=O)O)OC(C1O)O)O)O False O=C(O)C1OC(O)C(O)C(O)C1O O=C(O)C1OC(O)C(O)C(O)C1O 0 198 Hydrocodone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1a190545-4acd-4802-b9d9-b56d713f0587 CN1CC[C@@]23C4CCC(=O)[C@@H]2OC5=C3C(=CC=C5OC)C[C@H]41 CN1CC[C@@]23C4CCC(=O)[C@@H]2OC5=C3C(=CC=C5OC)C[C@H]41 False COc1ccc2c3c1O[C@H]1C(=O)CCC4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1C(=O)CCC4[C@@H](C2)N(C)CC[C@@]341 0 199 Hydroxyibuprofen https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e16ebe80-3faf-4579-aba7-ba82d63c8365 CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O False CC(C(=O)O)c1ccc(CC(C)(C)O)cc1 CC(C(=O)O)c1ccc(CC(C)(C)O)cc1 0 200 IOP_TP_M759 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c49cf194-b66f-44b2-845a-8ab28746184f CN(CCCO)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCCCO)I CN(CCCO)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCCCO)I False COCC(=O)Nc1c(I)c(C(=O)NCCCO)c(I)c(C(=O)N(C)CCCO)c1I COCC(=O)Nc1c(I)c(C(=O)NCCCO)c(I)c(C(=O)N(C)CCCO)c1I 0 201 IOP_TP_M805-A https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/058940b8-f739-4ed5-89be-913526b8c87d CN(CC(C(=O)O)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(CO)O)I CN(CC(C(=O)O)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(CO)O)I False COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)C(=O)O)c1I COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)C(=O)O)c1I 0 202 IOP_TP_M805-B https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bacf5510-5992-4273-a745-236764948dcd CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(C(=O)O)O)I CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(C(=O)O)O)I False COCC(=O)Nc1c(I)c(C(=O)NCC(O)C(=O)O)c(I)c(C(=O)N(C)CC(O)CO)c1I COCC(=O)Nc1c(I)c(C(=O)NCC(O)C(=O)O)c(I)c(C(=O)N(C)CC(O)CO)c1I 0 203 IOP_TP_M819 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/54e16c1d-4fab-4c21-84e1-f4f72346f371 CN(CC(C(=O)O)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(C(=O)O)O)I CN(CC(C(=O)O)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(C(=O)O)O)I False COCC(=O)Nc1c(I)c(C(=O)NCC(O)C(=O)O)c(I)c(C(=O)N(C)CC(O)C(=O)O)c1I COCC(=O)Nc1c(I)c(C(=O)NCC(O)C(=O)O)c(I)c(C(=O)N(C)CC(O)C(=O)O)c1I 0 204 Ibuprofen https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fc30840d-0ea5-4628-af0a-4f2153042a54 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O CC(C)CC1=CC=C(C=C1)C(C)C(=O)O False CC(C)Cc1ccc(C(C)C(=O)O)cc1 CC(C)Cc1ccc(C(C)C(=O)O)cc1 0 206 Isodihydrocodeine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7012a875-9242-4990-a4da-f3bb03dc7e87 CN1CC[C@@]23C4CC[C@H]([C@@H]2OC5=C3C(=CC=C5OC)C[C@H]41)O CN1CC[C@@]23C4CC[C@H]([C@@H]2OC5=C3C(=CC=C5OC)C[C@H]41)O False COc1ccc2c3c1O[C@H]1[C@H](O)CCC4[C@@H](C2)N(C)CC[C@@]341 COc1ccc2c3c1O[C@H]1[C@H](O)CCC4[C@@H](C2)N(C)CC[C@@]341 0 207 Isoneomorphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/05154378-d3ff-47f5-b95e-0b00691b5a1a CN1CC[C@@]23C4=CC[C@H]([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)O CN1CC[C@@]23C4=CC[C@H]([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)O False CN1CC[C@@]23C4=CC[C@@H](O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 CN1CC[C@@]23C4=CC[C@@H](O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 0 208 Isoneopine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6de220ed-7310-4652-bee2-bc2e54a28e3e C1C(OC)=C2O[C@@H]3[C@@]45CCN(C)[C@@H](C4=CC[C@H]3O)CC(=C25)C=1 C1C(OC)=C2O[C@@H]3[C@@]45CCN(C)[C@@H](C4=CC[C@H]3O)CC(=C25)C=1 False COc1ccc2c3c1O[C@H]1[C@H](O)CC=C4[C@@H](C2)N(C)CC[C@]431 COc1ccc2c3c1O[C@H]1[C@H](O)CC=C4[C@@H](C2)N(C)CC[C@]431 0 210 KET_TP_M114 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/31e62460-0c4b-4de6-a9e3-1a097b74c7ff C=C/C=C(\C(=O)O)/O C=C/C=C(\C(=O)O)/O False C=C/C=C(/O)C(=O)O C=C/C=C(/O)C(=O)O 0 211 KET_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bbe2bf89-d896-49cc-a5d9-300288a2db87 CC(C1=CC=CC(=C1)C(C2=CC=CC=C2)O)C(=O)O CC(C1=CC=CC(=C1)C(C2=CC=CC=C2)O)C(=O)O False CC(C(=O)O)c1cccc(C(O)c2ccccc2)c1 CC(C(=O)O)c1cccc(C(O)c2ccccc2)c1 0 212 KET_TP_M288 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/85344343-397e-4630-9a63-91d46cf2f280 CC(C1=CC=CC(=C1)C(C2=CC=CC(=C2O)O)O)C(=O)O CC(C1=CC=CC(=C1)C(C2=CC=CC(=C2O)O)O)C(=O)O False CC(C(=O)O)c1cccc(C(O)c2cccc(O)c2O)c1 CC(C(=O)O)c1cccc(C(O)c2cccc(O)c2O)c1 0 213 KET_TP_M320 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c4512da1-e689-44bd-8f48-ff3ee47ce5cd CC(C1=CC=CC(=C1)C(C(=O)/C=C\C=C(/C(=O)O)\O)O)C(=O)O CC(C1=CC=CC(=C1)C(C(=O)/C=C\C=C(/C(=O)O)\O)O)C(=O)O False CC(C(=O)O)c1cccc(C(O)C(=O)/C=C\C=C(\O)C(=O)O)c1 CC(C(=O)O)c1cccc(C(O)C(=O)/C=C\C=C(\O)C(=O)O)c1 0 214 Ketoprofen https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3b006342-7240-4ca6-b81e-f0a5fa72bcc5 CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O False CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 0 215 LEV_TP_M172 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cdc82703-284f-4e4a-9766-49bd9b06568c CCC(C(=O)O)N1CCCC1=O CCC(C(=O)O)N1CCCC1=O False CCC(C(=O)O)N1CCCC1=O CCC(C(=O)O)N1CCCC1=O 0 216 LID_TP_M180 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6a34f70e-fa6a-4827-b4ea-abdb1e968794 CC1=CC=CC(=C1NC(=O)CO)C CC1=CC=CC(=C1NC(=O)CO)C False Cc1cccc(C)c1NC(=O)CO Cc1cccc(C)c1NC(=O)CO 0 217 LID_TP_M207 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/af0863df-3f2d-493b-a3ab-ef91dc4f6b6c CCNCC(=O)NC1=C(C)C=CC=C1C CCNCC(=O)NC1=C(C)C=CC=C1C False CCNCC(=O)Nc1c(C)cccc1C CCNCC(=O)Nc1c(C)cccc1C 0 218 LID_TP_M233 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0d17af04-abb6-48d8-b580-c137251ce807 C=CN(CC)CC(=O)NC1=C(C)C=CC=C1C C=CN(CC)CC(=O)NC1=C(C)C=CC=C1C False C=CN(CC)CC(=O)Nc1c(C)cccc1C C=CN(CC)CC(=O)Nc1c(C)cccc1C 0 219 LID_TP_M251 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/70e50020-cc84-4721-b1ab-a6ffeedcef1d CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)[O-] CC[N+](CC)(CC(=O)NC1=C(C)C=CC=C1C)[O-] False CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C CC[N+]([O-])(CC)CC(=O)Nc1c(C)cccc1C 0 220 LID_TP_M251 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8af1d09d-5f0d-4e90-a142-ebe7f4f534d3 CCN(CC)CC(=O)NC1=C(C)C(=CC=C1C)O CCN(CC)CC(=O)NC1=C(C)C(=CC=C1C)O False CCN(CC)CC(=O)Nc1c(C)ccc(O)c1C CCN(CC)CC(=O)Nc1c(C)ccc(O)c1C 0 221 LID_TP_M251 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/da027e49-270a-4142-9fa8-4eead50b05e6 CCN(CC)CC(=O)NC1=C(C=CC=C1C)CO CCN(CC)CC(=O)NC1=C(C=CC=C1C)CO False CCN(CC)CC(=O)Nc1c(C)cccc1CO CCN(CC)CC(=O)Nc1c(C)cccc1CO 0 222 LID_TP_M251 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3ea8eb74-c684-4745-9d4e-415bc1743646 CCN(CC)CC(=O)NC1=C(C)C=C(C=C1C)O CCN(CC)CC(=O)NC1=C(C)C=C(C=C1C)O False CCN(CC)CC(=O)Nc1c(C)cc(O)cc1C CCN(CC)CC(=O)Nc1c(C)cc(O)cc1C 0 223 LID_TP_M265 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7fec6005-d5fd-4435-9a67-f5ab6459e3ca CCN(CC)CC(=O)NC1=C(C=CC=C1C)C(=O)O CCN(CC)CC(=O)NC1=C(C=CC=C1C)C(=O)O False CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)O CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)O 0 226 MEX_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9763bea0-22b4-48a1-9de2-adec39c4f861 CC1=CC=CC(=C1OCC(=C)N)C CC1=CC=CC(=C1OCC(=C)N)C False C=C(N)COc1c(C)cccc1C C=C(N)COc1c(C)cccc1C 0 227 MEX_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/da682b16-3bf2-40ab-8c07-e224d89374a8 CC1=CC=CC(=C1OCC(=N)C)C CC1=CC=CC(=C1OCC(=N)C)C False CC(=N)COc1c(C)cccc1C CC(=N)COc1c(C)cccc1C 0 228 MEX_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c29ff62e-87d2-4e53-91b7-54d6c2d20ba1 CC1=CC=CC(=C1O/C=C(\C)/N)C CC1=CC=CC(=C1O/C=C(\C)/N)C False C/C(N)=C\Oc1c(C)cccc1C C/C(N)=C\Oc1c(C)cccc1C 0 229 MEX_TP_M208 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e34a4710-f95e-441a-b79d-eed02a4b95b7 CC1=CC=CC(=C1OCC(C)NC=O)C CC1=CC=CC(=C1OCC(C)NC=O)C False Cc1cccc(C)c1OCC(C)NC=O Cc1cccc(C)c1OCC(C)NC=O 0 230 MEX_TP_M222 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/aaa4cd77-853e-4397-8507-8b696a0f8cf6 CC1=CC=CC(=C1OCC(C)NC(=O)C)C CC1=CC=CC(=C1OCC(C)NC(=O)C)C False CC(=O)NC(C)COc1c(C)cccc1C CC(=O)NC(C)COc1c(C)cccc1C 0 231 MEX_TP_M236 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e95fe32a-749b-4bff-bfdb-721bc7c2cf7b CCC(=O)NC(C)COC1=C(C)C=CC=C1C CCC(=O)NC(C)COC1=C(C)C=CC=C1C False CCC(=O)NC(C)COc1c(C)cccc1C CCC(=O)NC(C)COc1c(C)cccc1C 0 232 MEX_TP_M278 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8a0a258b-426b-4851-863c-16eb26b21d21 CC1=CC=CC(=C1OCC(C)NC(=O)/C=C/C(=O)O)C CC1=CC=CC(=C1OCC(C)NC(=O)/C=C/C(=O)O)C False Cc1cccc(C)c1OCC(C)NC(=O)/C=C/C(=O)O Cc1cccc(C)c1OCC(C)NC(=O)/C=C/C(=O)O 0 233 MEX_TP_M280 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2b8ac24f-938b-412f-b2c0-346cac6e4eda CC1=CC=CC(=C1OCC(C)NC(=O)CCC(=O)O)C CC1=CC=CC(=C1OCC(C)NC(=O)CCC(=O)O)C False Cc1cccc(C)c1OCC(C)NC(=O)CCC(=O)O Cc1cccc(C)c1OCC(C)NC(=O)CCC(=O)O 0 234 MMclB_TP_M170 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ff0dca4e-5b4e-4869-bca6-e4aed2a7ec34 CNC(=O)C1=CC=C(C=C1)Cl CNC(=O)C1=CC=C(C=C1)Cl False CNC(=O)c1ccc(Cl)cc1 CNC(=O)c1ccc(Cl)cc1 0 235 MO_TP_316 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/61531c1e-7c16-40bb-9a00-068db8b77c59 CN1CC[C@@]23C4=CC([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)(C(=O)O)O CN1CC[C@@]23C4=CC([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)(C(=O)O)O False CN1CC[C@@]23C4=CC(O)(C(=O)O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 CN1CC[C@@]23C4=CC(O)(C(=O)O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 0 236 MO_TP_318 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/666b6afc-6a17-4ac8-967f-a9199b478ec5 CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3C(C(=O)[C@@H]([C@@H]2O5)O)O)O CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1C3C(C(=O)[C@@H]([C@@H]2O5)O)O)O False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C(=O)C(O)C3[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C(=O)C(O)C3[C@H]1C5 0 237 MO_TP_334 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0ab3be74-2af6-42f3-adf1-9e7de8ebeff9 CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1[C@]3(CC([C@@H]2O5)(C(=O)O)O)O)O CN1CC[C@]23C4=C5C(=CC=C4C[C@@H]1[C@]3(CC([C@@H]2O5)(C(=O)O)O)O)O False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(O)(C(=O)O)C[C@]3(O)[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(O)(C(=O)O)C[C@]3(O)[C@H]1C5 0 238 Mestranol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ff4e7ea0-4d94-4b2b-9b37-145d5746909a C#CC1(CCC2C3CCC4=CC(=CC=C4C3CCC21C)OC)O C#CC1(CCC2C3CCC4=CC(=CC=C4C3CCC21C)OC)O False C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C 0 241 Morphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5798a389-a90e-4d15-9923-f273de2540b3 CN1[C@H]2C3C=C[C@H](O)[C@@H]4OC5C(O)=CC=C(C2)C=5[C@@]43CC1 CN1[C@H]2C3C=C[C@H](O)[C@@H]4OC5C(O)=CC=C(C2)C=5[C@@]43CC1 False CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5 CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5 0 242 Morphinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/61fad325-f267-4a6b-870d-6e8a0393a168 CN1[C@@H]2C3C=CC(=O)[C@H]4OC5C(O)=CC=C(C2)C=5[C@@]34CC1 CN1[C@@H]2C3C=CC(=O)[C@H]4OC5C(O)=CC=C(C2)C=5[C@@]34CC1 False CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)C=CC3[C@@H]1C5 CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2C(=O)C=CC3[C@@H]1C5 0 250 N,N-dimethyl-p-chloroaniline https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b7e9b4f2-3868-420c-a942-d0996ca34b3f CN(C)C1=CC=C(C=C1)Cl CN(C)C1=CC=C(C=C1)Cl False CN(C)c1ccc(Cl)cc1 CN(C)c1ccc(Cl)cc1 0 259 N-demethyl isoproturon https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6aca1aa5-4be2-4dca-9a33-62ef6ef0788d CC(C)C1=CC=C(C=C1)NC(=O)NC CC(C)C1=CC=C(C=C1)NC(=O)NC False CNC(=O)Nc1ccc(C(C)C)cc1 CNC(=O)Nc1ccc(C(C)C)cc1 12 260 N-demethylfluoxetine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9dfaf17f-f5ad-4c05-96e0-d4531586e311 C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F False NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 261 N-demethylpheniramine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4362ef3e-658c-41d2-8f1f-36d806b51abe CNCCC(C1=CC=CC=C1)C2=NC=CC=C2 CNCCC(C1=CC=CC=C1)C2=NC=CC=C2 False CNCCC(c1ccccc1)c1ccccn1 CNCCC(c1ccccc1)c1ccccn1 0 262 N-demethylvenlafaxine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1c6811a3-daf4-4969-ae26-2bdb8233f9ca CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O False CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 CNCC(c1ccc(OC)cc1)C1(O)CCCCC1 0 263 N-didemethyl isoproturon https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/136ad46b-96c4-4cf0-8e1f-f1180210a022 CC(C)C1=CC=C(C=C1)NC(=O)N CC(C)C1=CC=C(C=C1)NC(=O)N False CC(C)c1ccc(NC(N)=O)cc1 CC(C)c1ccc(NC(N)=O)cc1 3 268 N4-acetyl-SDZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1c708468-951d-4084-a60b-114353b02c20 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2 False CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 0 269 N4-acetyl-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/76701331-9522-4137-9d0d-8db7ab0b3a6e CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C False CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 0 270 N4-acetyl-SMZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/704fdb0e-58fa-49ed-8bde-f3e51c24afdd CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C False CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 0 271 N4-acetyl-SPY https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0417cae3-dd33-4da3-ab00-ca7f3698af61 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=C2 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=C2 False CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 0 272 N4-formyl-SDZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/44c56d87-0f5e-48e9-8eaa-6a200bc5baa6 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=O C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=O False O=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 O=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1 0 273 N4-formyl-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9636808a-b9a0-4194-8094-ad06682ca7ce CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC=O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC=O False Cc1cc(NS(=O)(=O)c2ccc(NC=O)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NC=O)cc2)no1 0 274 N4-formyl-SMZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d10b58ea-c04e-4168-bbb6-9349e63c7a26 CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC=O CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC=O False Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=O)cc2)n1 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=O)cc2)n1 0 275 N4-formyl-SPY https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/71ee33d3-c6cd-4ea6-993a-ef7c48e910af C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=O C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=O False O=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 O=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 0 276 N4-formyl-STZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4b188c39-72a7-4b6c-9f97-0111cb2360ff C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NC=O C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NC=O False O=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 O=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 0 277 NAP_TP_M217 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f9684c7d-76f4-4107-95a0-881e95f8c55d CC(C(=O)O)OC1=CC=CC2=C1C=CC=C2 CC(C(=O)O)OC1=CC=CC2=C1C=CC=C2 False CC(Oc1cccc2ccccc12)C(=O)O CC(Oc1cccc2ccccc12)C(=O)O 3 278 NAP_TP_M244 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1ddc958e-5463-447f-a16f-4efc7eacfd52 CCNC(=O)C(C)OC1=CC=CC2=C1C=CC=C2 CCNC(=O)C(C)OC1=CC=CC2=C1C=CC=C2 False CCNC(=O)C(C)Oc1cccc2ccccc12 CCNC(=O)C(C)Oc1cccc2ccccc12 0 279 NFL_TP_M190 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d6ba7141-6eb6-4db6-b6c1-aafefe90ebc7 C1=CC=C(C=C1)C(CCNCCO)OC2=CC=C(C=C2)C(F)(F)F C1=CC=C(C=C1)C(CCNCCO)OC2=CC=C(C=C2)C(F)(F)F False OCCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 OCCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 280 NFL_TP_M234 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fcb592d5-dac3-4389-a2ca-32d102bf515c C1=CC=C(C=C1)C(CCNC(=O)CCC(=O)O)OC2=CC=C(C=C2)C(F)(F)F C1=CC=C(C=C1)C(CCNC(=O)CCC(=O)O)OC2=CC=C(C=C2)C(F)(F)F False O=C(O)CCC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 O=C(O)CCC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 281 NFL_TP_M360 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d518d3d6-19e0-4463-bd51-c4144f2dee45 CC(=O)NCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F CC(=O)NCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F False CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CC(=O)NCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 0 282 NPE_TP_M212 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7feb25e2-2d38-4259-b17e-32458cb18b0e C1=CC=C(C=C1)C(CC=O)C2=NC=CC=C2 C1=CC=C(C=C1)C(CC=O)C2=NC=CC=C2 False O=CCC(c1ccccc1)c1ccccn1 O=CCC(c1ccccc1)c1ccccn1 0 283 NPE_TP_M212 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/05db6027-ea3c-48dc-9b46-fea007eecec6 C1=CC=C(C=C1)C(CCN)C2=NC=CC=C2 C1=CC=C(C=C1)C(CCN)C2=NC=CC=C2 False NCCC(c1ccccc1)c1ccccn1 NCCC(c1ccccc1)c1ccccn1 0 284 NPE_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ccd4d5dc-657f-4592-8b44-94afb121bc80 C1=CC=C(C=C1)C(CC(=O)O)C2=NC=CC=C2 C1=CC=C(C=C1)C(CC(=O)O)C2=NC=CC=C2 False O=C(O)CC(c1ccccc1)c1ccccn1 O=C(O)CC(c1ccccc1)c1ccccn1 0 285 NPE_TP_M241 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/49104cdd-c292-4a6a-8467-862441af01db CNC(=O)CC(C1=CC=CC=C1)C2=NC=CC=C2 CNC(=O)CC(C1=CC=CC=C1)C2=NC=CC=C2 False CNC(=O)CC(c1ccccc1)c1ccccn1 CNC(=O)CC(c1ccccc1)c1ccccn1 0 286 NPE_TP_M241 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/acc45d6d-81a5-4665-a6d5-80058dea21b9 C1=CC=C(C=C1)C(CCNC=O)C2=NC=CC=C2 C1=CC=C(C=C1)C(CCNC=O)C2=NC=CC=C2 False O=CNCCC(c1ccccc1)c1ccccn1 O=CNCCC(c1ccccc1)c1ccccn1 0 287 NPE_TP_M255 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/56b8b93f-7186-4efc-81e0-a9e081113251 CC(=O)NCCC(C1=CC=CC=C1)C2=NC=CC=C2 CC(=O)NCCC(C1=CC=CC=C1)C2=NC=CC=C2 False CC(=O)NCCC(c1ccccc1)c1ccccn1 CC(=O)NCCC(c1ccccc1)c1ccccn1 0 288 NPE_TP_M269 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/78562964-1535-43d2-9043-0a61edb82a1e CC(=O)N(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 CC(=O)N(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 False CC(=O)N(C)CCC(c1ccccc1)c1ccccn1 CC(=O)N(C)CCC(c1ccccc1)c1ccccn1 0 289 NPE_TP_M325 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/de88d15c-f701-4747-8013-b01d5ceb29ab CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C(=O)/C=C/C(=O)O CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C(=O)/C=C/C(=O)O False CN(CCC(c1ccccc1)c1ccccn1)C(=O)/C=C/C(=O)O CN(CCC(c1ccccc1)c1ccccn1)C(=O)/C=C/C(=O)O 0 290 NPE_TP_M327 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b62d23e5-ae69-4b36-9061-53e5c3ef0e22 CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C(=O)CCC(=O)O CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C(=O)CCC(=O)O False CN(CCC(c1ccccc1)c1ccccn1)C(=O)CCC(=O)O CN(CCC(c1ccccc1)c1ccccn1)C(=O)CCC(=O)O 0 291 NVE_TP_M247 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e610d9b9-0d99-428c-8613-808c096b0311 COC1=CC=C(C=C1)C(C2=CCCCC2)C(=O)O COC1=CC=C(C=C1)C(C2=CCCCC2)C(=O)O False COc1ccc(C(C(=O)O)C2=CCCCC2)cc1 COc1ccc(C(C(=O)O)C2=CCCCC2)cc1 0 292 NVE_TP_M249 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/381b5a9f-78d8-47fa-9b81-ec3ab63bdd7d COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O False COc1ccc(C(CN)C2(O)CCCCC2)cc1 COc1ccc(C(CN)C2(O)CCCCC2)cc1 0 293 NVE_TP_M250 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d2538c0d-e2ab-42ec-820f-83319808d44e CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O False CNCC(c1ccc(O)cc1)C1(O)CCCCC1 CNCC(c1ccc(O)cc1)C1(O)CCCCC1 0 294 NVE_TP_M274 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a3163ffa-e23e-4520-ada2-2e67358c7ba0 CC(=O)NCC(C1=CCCCC1)C2=CC=C(C=C2)OC CC(=O)NCC(C1=CCCCC1)C2=CC=C(C=C2)OC False COc1ccc(C(CNC(C)=O)C2=CCCCC2)cc1 COc1ccc(C(CNC(C)=O)C2=CCCCC2)cc1 0 295 NVE_TP_M278 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0a20b15a-b8e1-4a4b-b629-7c0c7fa6df78 CNC(=O)C(C1=CC=C(C=C1)OC)C2(CCCCC2)O CNC(=O)C(C1=CC=C(C=C1)OC)C2(CCCCC2)O False CNC(=O)C(c1ccc(OC)cc1)C1(O)CCCCC1 CNC(=O)C(c1ccc(OC)cc1)C1(O)CCCCC1 0 296 NVE_TP_M278 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d58c0b9e-eb2d-4cc1-bb00-b33af72eae23 COC1=CC=C(C=C1)C(CNC=O)C2(CCCCC2)O COC1=CC=C(C=C1)C(CNC=O)C2(CCCCC2)O False COc1ccc(C(CNC=O)C2(O)CCCCC2)cc1 COc1ccc(C(CNC=O)C2(O)CCCCC2)cc1 0 297 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cc3017ad-05f3-47d0-ba95-3fd2831fc602 CN/C(=C(\C1=CC=C(C=C1)OC)/C2(CCCCC2)O)/O CN/C(=C(\C1=CC=C(C=C1)OC)/C2(CCCCC2)O)/O False CN/C(O)=C(\c1ccc(OC)cc1)C1(O)CCCCC1 CN/C(O)=C(\c1ccc(OC)cc1)C1(O)CCCCC1 0 298 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e3b3f809-e22a-498d-b9ff-8e2ed7ed9673 C(/C(=C/NC)/C1=CC=C(OCO)C=C1)(O)1CCCCC1 C(/C(=C/NC)/C1=CC=C(OCO)C=C1)(O)1CCCCC1 False CN/C=C(\c1ccc(OCO)cc1)C1(O)CCCCC1 CN/C=C(\c1ccc(OCO)cc1)C1(O)CCCCC1 0 299 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0e7c2b63-3329-418f-9491-f518d1c65f2a CNCC(C1=CC=C(C=C1)OC)(C2(CC=CCC2)O)O CNCC(C1=CC=C(C=C1)OC)(C2(CC=CCC2)O)O False CNCC(O)(c1ccc(OC)cc1)C1(O)CC=CCC1 CNCC(O)(c1ccc(OC)cc1)C1(O)CC=CCC1 0 300 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5e30f610-7c60-4788-a436-d2ac70aae339 COC1=CC=C(C=C1)/C(=C\NCO)/C2(CCCCC2)O COC1=CC=C(C=C1)/C(=C\NCO)/C2(CCCCC2)O False COc1ccc(/C(=C\NCO)C2(O)CCCCC2)cc1 COc1ccc(/C(=C\NCO)C2(O)CCCCC2)cc1 0 301 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8d0a8a22-2b57-4f1c-a86e-64859ebde7b7 CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCCC(C2)O)O CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCCC(C2)O)O False CN/C=C(\c1ccc(OC)cc1)C1(O)CCCC(O)C1 CN/C=C(\c1ccc(OC)cc1)C1(O)CCCC(O)C1 0 302 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a7888db2-ffc9-47a7-8ef2-cf075d7664f1 CNCC(C1=CC=C(C=C1)OCO)C2(CC=CCC2)O CNCC(C1=CC=C(C=C1)OCO)C2(CC=CCC2)O False CNCC(c1ccc(OCO)cc1)C1(O)CC=CCC1 CNCC(c1ccc(OCO)cc1)C1(O)CC=CCC1 0 303 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f9d087bb-a71c-4a5e-b7b5-f099273750ca CNC(C(C1=CC=C(C=C1)OC)C2(CC=CCC2)O)O CNC(C(C1=CC=C(C=C1)OC)C2(CC=CCC2)O)O False CNC(O)C(c1ccc(OC)cc1)C1(O)CC=CCC1 CNC(O)C(c1ccc(OC)cc1)C1(O)CC=CCC1 0 304 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0f1ff19b-e707-4011-a16f-70f0185fa64c CN/C=C(\C1=CC=C(C(=C1)O)OC)/C2(CCCCC2)O CN/C=C(\C1=CC=C(C(=C1)O)OC)/C2(CCCCC2)O False CN/C=C(\c1ccc(OC)c(O)c1)C1(O)CCCCC1 CN/C=C(\c1ccc(OC)c(O)c1)C1(O)CCCCC1 0 305 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5e32437b-c863-428c-8a7b-310992316ba9 CNCC(C1=CC=C(C=C1)OCO)C2(C=CCCC2)O CNCC(C1=CC=C(C=C1)OCO)C2(C=CCCC2)O False CNCC(c1ccc(OCO)cc1)C1(O)C=CCCC1 CNCC(c1ccc(OCO)cc1)C1(O)C=CCCC1 0 306 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f879c06c-82bc-49bb-9907-02cf57a6c5c4 CNC(C(C1=CC=C(C=C1)OC)C2(C=CCCC2)O)O CNC(C(C1=CC=C(C=C1)OC)C2(C=CCCC2)O)O False CNC(O)C(c1ccc(OC)cc1)C1(O)C=CCCC1 CNC(O)C(c1ccc(OC)cc1)C1(O)C=CCCC1 0 307 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ddaa157a-981f-4d24-a89b-8e28e2a87c8c CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCCCC2O)O CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCCCC2O)O False CN/C=C(\c1ccc(OC)cc1)C1(O)CCCCC1O CN/C=C(\c1ccc(OC)cc1)C1(O)CCCCC1O 0 308 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/71ff6be3-406f-4095-8c71-ba59d50b5a16 COC1=CC=C(C=C1)C(CNCO)C2(CC=CCC2)O COC1=CC=C(C=C1)C(CNCO)C2(CC=CCC2)O False COc1ccc(C(CNCO)C2(O)CC=CCC2)cc1 COc1ccc(C(CNCO)C2(O)CC=CCC2)cc1 0 309 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0811707c-9b61-4bc8-a325-870b54a59000 CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCC(CC2)O)O CN/C=C(\C1=CC=C(C=C1)OC)/C2(CCC(CC2)O)O False CN/C=C(\c1ccc(OC)cc1)C1(O)CCC(O)CC1 CN/C=C(\c1ccc(OC)cc1)C1(O)CCC(O)CC1 0 310 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0c06b651-a1b7-48c0-8b11-ef5fb0a22366 CNCC(C1=CC=C(C=C1)OC)(C2(C=CCCC2)O)O CNCC(C1=CC=C(C=C1)OC)(C2(C=CCCC2)O)O False CNCC(O)(c1ccc(OC)cc1)C1(O)C=CCCC1 CNCC(O)(c1ccc(OC)cc1)C1(O)C=CCCC1 0 311 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9ce73e46-fef1-44ff-88d4-1b626ce77baa CNCC(C1=CC=C(C=C1)OC=O)C2(CCCCC2)O CNCC(C1=CC=C(C=C1)OC=O)C2(CCCCC2)O False CNCC(c1ccc(OC=O)cc1)C1(O)CCCCC1 CNCC(c1ccc(OC=O)cc1)C1(O)CCCCC1 0 312 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/087c455a-4a5b-4bab-b1db-5f9c7d74795d CN/C=C(\C1=CC=C(C=C1O)OC)/C2(CCCCC2)O CN/C=C(\C1=CC=C(C=C1O)OC)/C2(CCCCC2)O False CN/C=C(\c1ccc(OC)cc1O)C1(O)CCCCC1 CN/C=C(\c1ccc(OC)cc1O)C1(O)CCCCC1 0 313 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1f41400f-953f-42a8-b61e-5cd682394561 CNCC(C1=CC=C(C=C1O)OC)C2(CC=CCC2)O CNCC(C1=CC=C(C=C1O)OC)C2(CC=CCC2)O False CNCC(c1ccc(OC)cc1O)C1(O)CC=CCC1 CNCC(c1ccc(OC)cc1O)C1(O)CC=CCC1 0 314 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/eadb3922-4b1b-49a9-9d5b-88e92e491f94 CNCC(C1=CC=C(C(=C1)O)OC)C2(CC=CCC2)O CNCC(C1=CC=C(C(=C1)O)OC)C2(CC=CCC2)O False CNCC(c1ccc(OC)c(O)c1)C1(O)CC=CCC1 CNCC(c1ccc(OC)c(O)c1)C1(O)CC=CCC1 0 315 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5149af8c-70de-4076-bcad-5f88112d357f CNCC(C1=CC=C(C(=C1)O)OC)C2(C=CCCC2)O CNCC(C1=CC=C(C(=C1)O)OC)C2(C=CCCC2)O False CNCC(c1ccc(OC)c(O)c1)C1(O)C=CCCC1 CNCC(c1ccc(OC)c(O)c1)C1(O)C=CCCC1 0 316 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/81e30872-8f6c-4a1a-908b-f10de2ed6796 COC1=CC=C(C=C1)C(CNCO)C2(C=CCCC2)O COC1=CC=C(C=C1)C(CNCO)C2(C=CCCC2)O False COc1ccc(C(CNCO)C2(O)C=CCCC2)cc1 COc1ccc(C(CNCO)C2(O)C=CCCC2)cc1 0 317 NVE_TP_M278 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2ecac20e-643d-43e8-b4b0-262b9dc96af2 CNCC(C1=CC=C(C=C1O)OC)C2(C=CCCC2)O CNCC(C1=CC=C(C=C1O)OC)C2(C=CCCC2)O False CNCC(c1ccc(OC)cc1O)C1(O)C=CCCC1 CNCC(c1ccc(OC)cc1O)C1(O)C=CCCC1 0 318 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4bfcad1d-5d91-43b1-a53c-017627743518 CNCC(C1=CC=C(C=C1)OC)C2(C=CC(CC2)O)O CNCC(C1=CC=C(C=C1)OC)C2(C=CC(CC2)O)O False CNCC(c1ccc(OC)cc1)C1(O)C=CC(O)CC1 CNCC(c1ccc(OC)cc1)C1(O)C=CC(O)CC1 0 319 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6d70e476-b51a-4524-8d1e-65865b0be6dc CNCC(C1=CC=C(C=C1)OC)C2(CC=C(CC2)O)O CNCC(C1=CC=C(C=C1)OC)C2(CC=C(CC2)O)O False CNCC(c1ccc(OC)cc1)C1(O)CC=C(O)CC1 CNCC(c1ccc(OC)cc1)C1(O)CC=C(O)CC1 0 320 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/09ac52f9-3d3b-43ec-ae5a-9dd6e2de2861 CNCC(C1=CC=C(C=C1)OC)C2(CCCC=C2O)O CNCC(C1=CC=C(C=C1)OC)C2(CCCC=C2O)O False CNCC(c1ccc(OC)cc1)C1(O)CCCC=C1O CNCC(c1ccc(OC)cc1)C1(O)CCCC=C1O 0 321 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6c4f8e62-3853-4f73-98b0-e94c956d84a5 CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2=O)O CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2=O)O False CNCC(c1ccc(OC)cc1)C1(O)CCCCC1=O CNCC(c1ccc(OC)cc1)C1(O)CCCCC1=O 0 322 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/360794aa-98bc-488c-9932-cc6748643701 CNCC(C1=CC=C(C=C1)OC)C2(C=CCC(C2)O)O CNCC(C1=CC=C(C=C1)OC)C2(C=CCC(C2)O)O False CNCC(c1ccc(OC)cc1)C1(O)C=CCC(O)C1 CNCC(c1ccc(OC)cc1)C1(O)C=CCC(O)C1 0 323 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9d30a9e1-42de-4192-ba5b-87fe59bb9749 CNCC(C1=CC=C(C=C1)OC)C2(C=CCCC2O)O CNCC(C1=CC=C(C=C1)OC)C2(C=CCCC2O)O False CNCC(c1ccc(OC)cc1)C1(O)C=CCCC1O CNCC(c1ccc(OC)cc1)C1(O)C=CCCC1O 0 324 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c2fcbffa-87ee-4b77-b0dd-c5a2175b19e3 CNCC(C1=CC=C(C=C1)OC)C2(CCC(=O)CC2)O CNCC(C1=CC=C(C=C1)OC)C2(CCC(=O)CC2)O False CNCC(c1ccc(OC)cc1)C1(O)CCC(=O)CC1 CNCC(c1ccc(OC)cc1)C1(O)CCC(=O)CC1 0 325 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e1c27f02-78b7-48c2-86f1-efd96ec84d40 CNCC(C1=CC=C(C=C1)OC)C2(CCCC(=O)C2)O CNCC(C1=CC=C(C=C1)OC)C2(CCCC(=O)C2)O False CNCC(c1ccc(OC)cc1)C1(O)CCCC(=O)C1 CNCC(c1ccc(OC)cc1)C1(O)CCCC(=O)C1 0 326 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/eeb57ed0-70a2-4adf-b2cf-4e6c71abb658 CNCC(C1=CC=C(C=C1)OC)C2(CCCC(=C2)O)O CNCC(C1=CC=C(C=C1)OC)C2(CCCC(=C2)O)O False CNCC(c1ccc(OC)cc1)C1(O)C=C(O)CCC1 CNCC(c1ccc(OC)cc1)C1(O)C=C(O)CCC1 0 327 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4ab11e6d-9d0d-469c-ad5f-1812c4abf891 CNCC(C1=CC=C(C=C1)OC)C2(CC=CCC2O)O CNCC(C1=CC=C(C=C1)OC)C2(CC=CCC2O)O False CNCC(c1ccc(OC)cc1)C1(O)CC=CCC1O CNCC(c1ccc(OC)cc1)C1(O)CC=CCC1O 0 328 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e1493ed8-757b-46a5-aa83-b36d359e596c CNCC(C1=CC=C(C=C1)OC)C2(CCC=CC2O)O CNCC(C1=CC=C(C=C1)OC)C2(CCC=CC2O)O False CNCC(c1ccc(OC)cc1)C1(O)CCC=CC1O CNCC(c1ccc(OC)cc1)C1(O)CCC=CC1O 0 329 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/30e62d3d-c939-4a43-9573-806956ef99f9 CNCC(C1=CC=C(C=C1)OC)C2(CCC=C(C2)O)O CNCC(C1=CC=C(C=C1)OC)C2(CCC=C(C2)O)O False CNCC(c1ccc(OC)cc1)C1(O)CCC=C(O)C1 CNCC(c1ccc(OC)cc1)C1(O)CCC=C(O)C1 0 330 NVE_TP_M278 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d5ac6d3f-f38c-4efd-a3ba-8bdab5e008a4 CNCC(C1=CC=C(C=C1)OC)C2(CC=CC(C2)O)O CNCC(C1=CC=C(C=C1)OC)C2(CC=CC(C2)O)O False CNCC(c1ccc(OC)cc1)C1(O)CC=CC(O)C1 CNCC(c1ccc(OC)cc1)C1(O)CC=CC(O)C1 0 331 NVE_TP_M280 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/97feaedf-3a72-4c92-ae7a-34996f2bc6ba CNCC(C1=CC=C(C=C1)OC)(C2(CCCCC2)O)O CNCC(C1=CC=C(C=C1)OC)(C2(CCCCC2)O)O False CNCC(O)(c1ccc(OC)cc1)C1(O)CCCCC1 CNCC(O)(c1ccc(OC)cc1)C1(O)CCCCC1 0 332 NVE_TP_M280 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a3821744-5b66-48a0-9e68-b4b0e754ccd4 CNCC(C1=CC=C(C=C1O)OC)C2(CCCCC2)O CNCC(C1=CC=C(C=C1O)OC)C2(CCCCC2)O False CNCC(c1ccc(OC)cc1O)C1(O)CCCCC1 CNCC(c1ccc(OC)cc1O)C1(O)CCCCC1 0 333 NVE_TP_M280 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/813423ab-caea-4f91-ba45-9b7a33b259c2 CNCC(C1=CC=C(C=C1)OCO)C2(CCCCC2)O CNCC(C1=CC=C(C=C1)OCO)C2(CCCCC2)O False CNCC(c1ccc(OCO)cc1)C1(O)CCCCC1 CNCC(c1ccc(OCO)cc1)C1(O)CCCCC1 0 334 NVE_TP_M280 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/25ed2da0-d473-4912-a268-7e178a40879d CNCC(C1=CC=C(C(=C1)O)OC)C2(CCCCC2)O CNCC(C1=CC=C(C(=C1)O)OC)C2(CCCCC2)O False CNCC(c1ccc(OC)c(O)c1)C1(O)CCCCC1 CNCC(c1ccc(OC)c(O)c1)C1(O)CCCCC1 0 337 Neomorphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6bb06f77-6d1c-46f3-a747-c4d33cb48a54 CN1CCC23C4=CCC(=O)C2OC5=C3C(=CC=C5O)CC41 CN1CCC23C4=CCC(=O)C2OC5=C3C(=CC=C5O)CC41 False CN1CCC23C4=CCC(=O)C2Oc2c(O)ccc(c23)CC41 CN1CCC23C4=CCC(=O)C2Oc2c(O)ccc(c23)CC41 0 338 Neomorphine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/feb4cc2b-edaf-43e2-a47c-40f883f6e0cc CN1CC[C@@]23C4=CC[C@@H]([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)O CN1CC[C@@]23C4=CC[C@@H]([C@@H]2OC5=C3C(=CC=C5O)C[C@H]41)O False CN1CC[C@@]23C4=CC[C@H](O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 CN1CC[C@@]23C4=CC[C@H](O)[C@@H]2Oc2c(O)ccc(c23)C[C@H]41 0 339 Neopine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f0e5a1ed-ca85-46bd-a098-f37eea5b324a CN1[C@@H]2C3=CC[C@@H](O)[C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1 CN1[C@@H]2C3=CC[C@@H](O)[C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1 False COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C4[C@H](C2)N(C)CC[C@@]431 COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C4[C@H](C2)N(C)CC[C@@]431 0 340 Neopinone https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/386b791d-b480-446d-8bd9-50114aeb86a9 CN1[C@@H]2C3=CCC([C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1)=O CN1[C@@H]2C3=CCC([C@H]4OC5C(OC)=CC=C(C2)C=5[C@@]34CC1)=O False COc1ccc2c3c1O[C@@H]1C(=O)CC=C4[C@H](C2)N(C)CC[C@@]431 COc1ccc2c3c1O[C@@H]1C(=O)CC=C4[C@H](C2)N(C)CC[C@@]431 0 342 O-Desmethyl-naproxen https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e38f4c6f-1853-4d22-b70e-616db429edb6 CC(C1=CC2=CC=C(C=C2C=C1)O)C(=O)O CC(C1=CC2=CC=C(C=C2C=C1)O)C(=O)O False CC(C(=O)O)c1ccc2cc(O)ccc2c1 CC(C(=O)O)c1ccc2cc(O)ccc2c1 0 343 O-demethylvenlaflaxine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c53782ab-697a-41d9-a4a1-be3fc82b988a CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O False CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1 0 344 OCP_TP_M186 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fc2094b0-2ec4-42f3-b0da-3493e5684b4f C1=CC(=C(C=C1)NCC(=O)O)Cl C1=CC(=C(C=C1)NCC(=O)O)Cl False O=C(O)CNc1ccccc1Cl O=C(O)CNc1ccccc1Cl 0 345 OCP_TP_M211 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4a676771-2a80-47bd-a426-05e10ec9bd54 C1=CC(=C(C=C1)N2CCNCC2=O)Cl C1=CC(=C(C=C1)N2CCNCC2=O)Cl False O=C1CNCCN1c1ccccc1Cl O=C1CNCCN1c1ccccc1Cl 0 346 OCP_TP_M211 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/25bdc9e3-1f5c-4fc8-95d6-d74814bc0552 C1=CC(=C(C=C1)N2C=CNCC2O)Cl C1=CC(=C(C=C1)N2C=CNCC2O)Cl False OC1CNC=CN1c1ccccc1Cl OC1CNC=CN1c1ccccc1Cl 0 347 OCP_TP_M211 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/617fe034-df42-40c2-ae26-e270dcfff087 C1=CC(=C(C=C1)N2CCNC(=O)C2)Cl C1=CC(=C(C=C1)N2CCNC(=O)C2)Cl False O=C1CN(c2ccccc2Cl)CCN1 O=C1CN(c2ccccc2Cl)CCN1 0 348 OCP_TP_M211 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6df823c9-2aec-4a51-96bc-3a925695f60e C1=CC(=C(C=C1)N2C=CNC(C2)O)Cl C1=CC(=C(C=C1)N2C=CNC(C2)O)Cl False OC1CN(c2ccccc2Cl)C=CN1 OC1CN(c2ccccc2Cl)C=CN1 0 349 OCP_TP_M213 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e964ab93-9d77-4946-b76a-1e64139438af C1=CC(=C(C=C1)N2CCNCC2O)Cl C1=CC(=C(C=C1)N2CCNCC2O)Cl False OC1CNCCN1c1ccccc1Cl OC1CNCCN1c1ccccc1Cl 0 350 OCP_TP_M213 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4d9eb339-a52c-43bc-8955-15a785fdaf34 C1=CC(=C(C=C1)N2CCNC(C2)O)Cl C1=CC(=C(C=C1)N2CCNC(C2)O)Cl False OC1CN(c2ccccc2Cl)CCN1 OC1CN(c2ccccc2Cl)CCN1 0 351 OCP_TP_M225 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f0818e7e-62d7-4c94-880d-4b4c9571f5cf C1=CC(=C(C=C1)N2CCN(CC2)C=O)Cl C1=CC(=C(C=C1)N2CCN(CC2)C=O)Cl False O=CN1CCN(c2ccccc2Cl)CC1 O=CN1CCN(c2ccccc2Cl)CC1 0 352 OCP_TP_M228 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/14a99990-6250-42cc-8853-6a433da479fa C1=CC(=C(C=C1)NCCNCC(=O)O)Cl C1=CC(=C(C=C1)NCCNCC(=O)O)Cl False O=C(O)CNCCNc1ccccc1Cl O=C(O)CNCCNc1ccccc1Cl 0 353 OCP_TP_M239 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6fe7584f-060b-48d0-87ba-2661cc25a204 CC(=O)N1CCN(CC1)C2=C(C=CC=C2)Cl CC(=O)N1CCN(CC1)C2=C(C=CC=C2)Cl False CC(=O)N1CCN(c2ccccc2Cl)CC1 CC(=O)N1CCN(c2ccccc2Cl)CC1 0 354 OCP_TP_M283 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/97fc71f2-1932-4fc2-a6ee-8972b3c7446d C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC(=O)O)Cl C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC(=O)O)Cl False O=C(O)CC(=O)N1CCN(c2ccccc2Cl)CC1 O=C(O)CC(=O)N1CCN(c2ccccc2Cl)CC1 0 355 OCP_TP_M295 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ea6c2ec3-1e6c-4e2e-b018-2fad016ca9c1 C1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C(=O)O)Cl C1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C(=O)O)Cl False O=C(O)/C=C/C(=O)N1CCN(c2ccccc2Cl)CC1 O=C(O)/C=C/C(=O)N1CCN(c2ccccc2Cl)CC1 0 356 OCP_TP_M297 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/10ec3d63-1ae8-4b79-82e3-e68050b9971b C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)O)Cl C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)O)Cl False O=C(O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 O=C(O)CCC(=O)N1CCN(c2ccccc2Cl)CC1 0 357 OSE_TP_M285 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f5bf412d-5982-4a05-8b0a-b75e690bca8d CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O False CCC(CC)OC1C=C(C(=O)O)CC(N)C1NC(C)=O CCC(CC)OC1C=C(C(=O)O)CC(N)C1NC(C)=O 0 360 PAR_TP_M146 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2a0a0be6-6ff5-4091-a8dd-7664a5656665 C#CCNCC1=CC=CC=C1 C#CCNCC1=CC=CC=C1 False C#CCNCc1ccccc1 C#CCNCc1ccccc1 0 361 PAR_TP_M162 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fe973705-5b2c-43c8-ba20-2d334b67d42f C#CC(NCC1=CC=CC=C1)O C#CC(NCC1=CC=CC=C1)O False C#CC(O)NCc1ccccc1 C#CC(O)NCc1ccccc1 0 362 PAR_TP_M162 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0eb684c5-09c5-4dd6-94c4-8b95781a5569 C1=CC=C(C=C1)CNCC#CO C1=CC=C(C=C1)CNCC#CO False OC#CCNCc1ccccc1 OC#CCNCc1ccccc1 0 363 PAR_TP_M174 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fd4734d0-df53-4e44-8706-e559ed507842 C#CCN(CC1=CC=CC=C1)C=O C#CCN(CC1=CC=CC=C1)C=O False C#CCN(C=O)Cc1ccccc1 C#CCN(C=O)Cc1ccccc1 0 364 PAR_TP_M176 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f12ba1c7-6564-4a96-b282-340eb111ec80 C#CC[N+](C)(CC1=CC=CC=C1)[O-] C#CC[N+](C)(CC1=CC=CC=C1)[O-] False C#CC[N+](C)([O-])Cc1ccccc1 C#CC[N+](C)([O-])Cc1ccccc1 0 365 PCV_TP_M209 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/461cd6b4-1a63-4ff9-b4ac-dfdb1bb038b3 C(C(=O)O)N1C=NC2=C1NC(=NC2=O)N C(C(=O)O)N1C=NC2=C1NC(=NC2=O)N False Nc1nc(=O)c2ncn(CC(=O)O)c2[nH]1 Nc1nc(=O)c2ncn(CC(=O)O)c2[nH]1 0 366 PCV_TP_M233 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0cfe57c5-a42f-48ad-9f00-6aa030ff80be C=C(CCN1C=NC2=C1NC(=NC2=O)N)C=O C=C(CCN1C=NC2=C1NC(=NC2=O)N)C=O False C=C(C=O)CCn1cnc2c(=O)nc(N)[nH]c21 C=C(C=O)CCn1cnc2c(=O)nc(N)[nH]c21 0 367 PCV_TP_M237 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d4315545-06b4-43aa-9c55-6cc22f4bf590 C(CC(=O)O)CN1C=NC2=C1NC(=NC2=O)N C(CC(=O)O)CN1C=NC2=C1NC(=NC2=O)N False Nc1nc(=O)c2ncn(CCCC(=O)O)c2[nH]1 Nc1nc(=O)c2ncn(CCCC(=O)O)c2[nH]1 0 368 PCV_TP_M249 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f0c089b3-f28a-4d0d-8109-2c3443810aed C=C(CCN1C=NC2=C1NC(=NC2=O)N)C(=O)O C=C(CCN1C=NC2=C1NC(=NC2=O)N)C(=O)O False C=C(CCn1cnc2c(=O)nc(N)[nH]c21)C(=O)O C=C(CCn1cnc2c(=O)nc(N)[nH]c21)C(=O)O 0 369 PCV_TP_M249 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bb95271b-e61f-439a-948c-8216f5900346 C(CN1C=NC2=C1NC(=NC2=O)N)C(C=O)C=O C(CN1C=NC2=C1NC(=NC2=O)N)C(C=O)C=O False Nc1nc(=O)c2ncn(CCC(C=O)C=O)c2[nH]1 Nc1nc(=O)c2ncn(CCC(C=O)C=O)c2[nH]1 0 370 PCV_TP_M251 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/103ef5f3-3813-4c70-8034-63b29b140720 CC(CCN1C=NC2=C1NC(=NC2=O)N)(C=O)O CC(CCN1C=NC2=C1NC(=NC2=O)N)(C=O)O False CC(O)(C=O)CCn1cnc2c(=O)nc(N)[nH]c21 CC(O)(C=O)CCn1cnc2c(=O)nc(N)[nH]c21 0 371 PCV_TP_M267 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/926de31c-5d27-4cd3-b724-d60b8a9ecb13 C(CN1C=NC2=C1NC(=NC2=O)N)C(CO)C(=O)O C(CN1C=NC2=C1NC(=NC2=O)N)C(CO)C(=O)O False Nc1nc(=O)c2ncn(CCC(CO)C(=O)O)c2[nH]1 Nc1nc(=O)c2ncn(CCC(CO)C(=O)O)c2[nH]1 0 372 PCV_TP_M281 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1e12b738-98b6-4c81-8c3a-fcd35e2ecd8e C(CN1C=NC2=C1NC(=NC2=O)N)C(C(=O)O)C(=O)O C(CN1C=NC2=C1NC(=NC2=O)N)C(C(=O)O)C(=O)O False Nc1nc(=O)c2ncn(CCC(C(=O)O)C(=O)O)c2[nH]1 Nc1nc(=O)c2ncn(CCC(C(=O)O)C(=O)O)c2[nH]1 0 373 PHE_TP_M255 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0f9369d8-b864-4804-851d-d34312151feb CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C=O CN(CCC(C1=CC=CC=C1)C2=NC=CC=C2)C=O False CN(C=O)CCC(c1ccccc1)c1ccccn1 CN(C=O)CCC(c1ccccc1)c1ccccn1 0 374 PHE_TP_M257 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/90e29f1d-b282-4ccd-9dc4-41931bb3333c C[N+](C)(CCC(C1=CC=CC=C1)C2=NC=CC=C2)[O-] C[N+](C)(CCC(C1=CC=CC=C1)C2=NC=CC=C2)[O-] False C[N+](C)([O-])CCC(c1ccccc1)c1ccccn1 C[N+](C)([O-])CCC(c1ccccc1)c1ccccn1 0 375 PPB_TP_M290 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/08097be6-e37f-4d3e-b67e-5d4afec36244 C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC(=C3)O C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC(=C3)O False O=C(c1ccccc1)N(c1ccccc1)c1cccc(O)c1 O=C(c1ccccc1)N(c1ccccc1)c1cccc(O)c1 0 376 PPB_TP_M290 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a739c259-7db2-400c-b682-79889502b08f C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=C(C=CC=C3)O C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=C(C=CC=C3)O False O=C(c1ccccc1)N(c1ccccc1)c1ccccc1O O=C(c1ccccc1)N(c1ccccc1)c1ccccc1O 0 377 PPB_TP_M290 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e49cc6df-fb67-4afa-86de-308356eaedf3 C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)O C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)O False O=C(c1ccccc1)N(c1ccccc1)c1ccc(O)cc1 O=C(c1ccccc1)N(c1ccccc1)c1ccc(O)cc1 0 378 PRI_TP_M175 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/75db3e83-89eb-4b6b-a4c1-7317e37fa34f COC1=CC2=CC=CN=C2C(=C1)N COC1=CC2=CC=CN=C2C(=C1)N False COc1cc(N)c2ncccc2c1 COc1cc(N)c2ncccc2c1 0 379 PRI_TP_M247 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e0a7307e-a68a-4281-a285-bc30737a2a6b CC(C(=O)O)NC1=CC(=CC2=CC=CN=C21)OC CC(C(=O)O)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)C(=O)O)c2ncccc2c1 COc1cc(NC(C)C(=O)O)c2ncccc2c1 0 380 PRI_TP_M261 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f3eb174d-f0a8-49a9-bb8b-4b757d0743e8 CC(CC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC CC(CC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)CC(=O)O)c2ncccc2c1 COc1cc(NC(C)CC(=O)O)c2ncccc2c1 0 381 PRI_TP_M273 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5aa0aa3f-85e7-4b6a-b19c-8e73ca57deae C/C(=N\C1=CC(=CC2=CC=CN=C21)OC)/CCC(=O)O C/C(=N\C1=CC(=CC2=CC=CN=C21)OC)/CCC(=O)O False COc1cc(/N=C(\C)CCC(=O)O)c2ncccc2c1 COc1cc(/N=C(\C)CCC(=O)O)c2ncccc2c1 0 382 PRI_TP_M273 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0ad7d7ac-68a7-466a-86d9-0fa33fda4987 C=C(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC C=C(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC False C=C(CCC(=O)O)Nc1cc(OC)cc2cccnc12 C=C(CCC(=O)O)Nc1cc(OC)cc2cccnc12 0 383 PRI_TP_M273 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/948e2df0-96af-46c0-b71b-fcd15ddab27a C/C(=C\CC(=O)O)/NC1=CC(=CC2=CC=CN=C21)OC C/C(=C\CC(=O)O)/NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(N/C(C)=C/CC(=O)O)c2ncccc2c1 COc1cc(N/C(C)=C/CC(=O)O)c2ncccc2c1 0 384 PRI_TP_M273 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ead2c924-017f-4505-b9ff-9fdf6a79b14f CC(/C=C/C(=O)O)NC1=CC(=CC2=CC=CN=C21)OC CC(/C=C/C(=O)O)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)/C=C/C(=O)O)c2ncccc2c1 COc1cc(NC(C)/C=C/C(=O)O)c2ncccc2c1 0 385 PRI_TP_M275 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a99785f8-34fe-435b-905c-a3c9301ebe42 CC(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC CC(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)CCC(=O)O)c2ncccc2c1 COc1cc(NC(C)CCC(=O)O)c2ncccc2c1 0 386 PRI_TP_M302 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cdebc8a1-ef62-44d1-b968-21b4a13a6cd2 CC(CCCNC(=O)C)NC1=CC(=CC2=CC=CN=C21)OC CC(CCCNC(=O)C)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)CCCNC(C)=O)c2ncccc2c1 COc1cc(NC(C)CCCNC(C)=O)c2ncccc2c1 0 387 PRI_TP_M303 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c8e97fdf-8b2d-4736-8683-1483906c3c88 CC(CCC(=O)O)N(C=O)C1=CC(=CC2=CC=CN=C21)OC CC(CCC(=O)O)N(C=O)C1=CC(=CC2=CC=CN=C21)OC False COc1cc(N(C=O)C(C)CCC(=O)O)c2ncccc2c1 COc1cc(N(C=O)C(C)CCC(=O)O)c2ncccc2c1 0 388 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6fb57eb6-8348-4d64-b818-ffd40a1911e6 CC(CCC(=O)O)NC1=C2C(=CC(=C1)OC)C=C(C=N2)Br CC(CCC(=O)O)NC1=C2C(=CC(=C1)OC)C=C(C=N2)Br False COc1cc(NC(C)CCC(=O)O)c2ncc(Br)cc2c1 COc1cc(NC(C)CCC(=O)O)c2ncc(Br)cc2c1 0 389 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2aca3c51-7f1c-447b-b898-f92d67f8a145 CC(CCC(=O)O)(Br)NC1=CC(=CC2=CC=CN=C21)OC CC(CCC(=O)O)(Br)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)(Br)CCC(=O)O)c2ncccc2c1 COc1cc(NC(C)(Br)CCC(=O)O)c2ncccc2c1 0 390 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b02d882f-ccb1-42e9-afd4-829159e7cd9e CC(CCC(=O)O)NC1=CC(=C(C2=CC=CN=C21)Br)OC CC(CCC(=O)O)NC1=CC(=C(C2=CC=CN=C21)Br)OC False COc1cc(NC(C)CCC(=O)O)c2ncccc2c1Br COc1cc(NC(C)CCC(=O)O)c2ncccc2c1Br 0 391 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e463bd9c-85bb-4ca6-a004-aa3c57b9f229 CC(C(CC(=O)O)Br)NC1=CC(=CC2=CC=CN=C21)OC CC(C(CC(=O)O)Br)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)C(Br)CC(=O)O)c2ncccc2c1 COc1cc(NC(C)C(Br)CC(=O)O)c2ncccc2c1 0 392 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/73047d1b-d852-4418-a6d8-c9aa81f02273 CC(CCC(=O)O)NC1=C(C(=CC2=CC=CN=C21)OC)Br CC(CCC(=O)O)NC1=C(C(=CC2=CC=CN=C21)OC)Br False COc1cc2cccnc2c(NC(C)CCC(=O)O)c1Br COc1cc2cccnc2c(NC(C)CCC(=O)O)c1Br 0 393 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7358291e-beb0-4d88-9b22-492c15a13277 CC(CC(C(=O)O)Br)NC1=CC(=CC2=CC=CN=C21)OC CC(CC(C(=O)O)Br)NC1=CC(=CC2=CC=CN=C21)OC False COc1cc(NC(C)CC(Br)C(=O)O)c2ncccc2c1 COc1cc(NC(C)CC(Br)C(=O)O)c2ncccc2c1 0 394 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a8dc93aa-af87-45f2-87ec-65f2856ad366 CC(CCC(=O)O)NC1=CC(=CC2=C1N=CC=C2Br)OC CC(CCC(=O)O)NC1=CC(=CC2=C1N=CC=C2Br)OC False COc1cc(NC(C)CCC(=O)O)c2nccc(Br)c2c1 COc1cc(NC(C)CCC(=O)O)c2nccc(Br)c2c1 0 395 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a4bd0249-82c7-4f66-8764-4e6ae0714c50 COC1=CC2=CC=CN=C2C(=C1)NC(CCC(=O)O)CBr COC1=CC2=CC=CN=C2C(=C1)NC(CCC(=O)O)CBr False COc1cc(NC(CBr)CCC(=O)O)c2ncccc2c1 COc1cc(NC(CBr)CCC(=O)O)c2ncccc2c1 0 396 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/29a5d6cb-bb22-450e-9a59-e1037b5031f6 CC(CCC(=O)O)NC1=CC(=CC2=CC=C(Br)N=C21)OC CC(CCC(=O)O)NC1=CC(=CC2=CC=C(Br)N=C21)OC False COc1cc(NC(C)CCC(=O)O)c2nc(Br)ccc2c1 COc1cc(NC(C)CCC(=O)O)c2nc(Br)ccc2c1 0 397 PRI_TP_M353 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/af0bc21e-1cb1-47da-997e-39dd4c8104eb CC(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OCBr CC(CCC(=O)O)NC1=CC(=CC2=CC=CN=C21)OCBr False CC(CCC(=O)O)Nc1cc(OCBr)cc2cccnc12 CC(CCC(=O)O)Nc1cc(OCBr)cc2cccnc12 0 398 PRO_TP_M178 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fdd96658-1dd8-47df-a6cd-514629c10a19 CC(C)N(C(=O)C)C1=CC=CC=C1 CC(C)N(C(=O)C)C1=CC=CC=C1 False CC(=O)N(c1ccccc1)C(C)C CC(=O)N(c1ccccc1)C(C)C 0 399 PRO_TP_M192 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4f4aa227-d011-4a09-ae76-a8c89c0af78b CC(C)N(C1=CC=CC=C1)C(=O)C=O CC(C)N(C1=CC=CC=C1)C(=O)C=O False CC(C)N(C(=O)C=O)c1ccccc1 CC(C)N(C(=O)C=O)c1ccccc1 0 400 PRO_TP_M194 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a14dc3af-dd92-4534-a3a3-5d9376dfff9f CC(C)N(C1=CC=CC=C1)C(=O)CO CC(C)N(C1=CC=CC=C1)C(=O)CO False CC(C)N(C(=O)CO)c1ccccc1 CC(C)N(C(=O)CO)c1ccccc1 0 401 PYR_TP_M166 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b16fd698-17a0-48c2-b555-5fea8ec33f09 CN(C)CCNC1=NC=CC=C1 CN(C)CCNC1=NC=CC=C1 False CN(C)CCNc1ccccn1 CN(C)CCNc1ccccn1 0 402 PYR_TP_M272 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c1aef929-4000-45d2-b9cd-c861a04de33d CN(C)CCN(CC1=CC=C(C=C1)O)C2=NC=CC=C2 CN(C)CCN(CC1=CC=C(C=C1)O)C2=NC=CC=C2 False CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1 CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1 0 403 PYR_TP_M272 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/31a21426-eefc-4ef1-9b9a-21009c0f81b2 CNCCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2 CNCCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2 False CNCCN(Cc1ccc(OC)cc1)c1ccccn1 CNCCN(Cc1ccc(OC)cc1)c1ccccn1 0 404 PYR_TP_M273 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7cb8921f-f15b-4fb5-a757-f844c31a101e COC1=CC=C(C=C1)CN(CC(=O)O)C2=NC=CC=C2 COC1=CC=C(C=C1)CN(CC(=O)O)C2=NC=CC=C2 False COc1ccc(CN(CC(=O)O)c2ccccn2)cc1 COc1ccc(CN(CC(=O)O)c2ccccn2)cc1 0 405 PYR_TP_M300 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5ac9c0bc-026b-42da-aaf7-c5a59e2cb5b7 CN(CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2)C=O CN(CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2)C=O False COc1ccc(CN(CCN(C)C=O)c2ccccn2)cc1 COc1ccc(CN(CCN(C)C=O)c2ccccn2)cc1 0 406 PYR_TP_M302 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/50be5430-3377-4e82-b676-82f70a06c04d C[N+](C)(CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2)[O-] C[N+](C)(CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=C2)[O-] False COc1ccc(CN(CC[N+](C)(C)[O-])c2ccccn2)cc1 COc1ccc(CN(CC[N+](C)(C)[O-])c2ccccn2)cc1 0 413 Propachlor ESA https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fbf613e9-cf52-4ee0-bc61-046a1a302b2d CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O False CC(C)N(C(=O)CS(=O)(=O)O)c1ccccc1 CC(C)N(C(=O)CS(=O)(=O)O)c1ccccc1 0 414 Propachlor OXA https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/81af6d8b-c56c-4874-b0a3-04d941d6638c CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O False CC(C)N(C(=O)C(=O)O)c1ccccc1 CC(C)N(C(=O)C(=O)O)c1ccccc1 0 416 PtO-SDZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0e787c58-2d12-4675-80ad-ad8a98b1efb4 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O False O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cnc2[nH]1 O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cnc2[nH]1 0 417 PtO-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c0659f4c-83e6-4a1c-97c9-0edfee14fb12 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O False Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4[nH]c(=O)[nH]c(=O)c4n3)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4[nH]c(=O)[nH]c(=O)c4n3)cc2)no1 0 418 PtO-SMX+2(H2O) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a072e5a0-4ec7-42bd-ab5b-be2db75f8482 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)C=O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)C=O False Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)C=O)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)C=O)cc2)no1 0 419 PtO-SMX+H2O https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5f5f5449-3921-4d79-b3e4-d20f4eef96fe CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N\C3=C(C(=O)NC(=O)N3)N CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N\C3=C(C(=O)NC(=O)N3)N False Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)/C=N\c3[nH]c(=O)[nH]c(=O)c3N)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)/C=N\c3[nH]c(=O)[nH]c(=O)c3N)cc2)no1 0 420 PtO-SPY https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ffd2610e-787d-4edb-a730-344d3a859dde C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(=O)NC4=O False O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cnc2[nH]1 O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cnc2[nH]1 0 421 PtO-STZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/03bde2f9-c4b2-4b73-97d5-0e3ada55566b C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC3=NC4=C(N=C3)NC(=O)NC4=O C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC3=NC4=C(N=C3)NC(=O)NC4=O False O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cnc2[nH]1 O=c1[nH]c(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cnc2[nH]1 0 422 Pterin-SDZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/781b71c8-de0a-45b3-a097-2b7eeb6fde82 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N False Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nc2c(=O)[nH]1 Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nc2c(=O)[nH]1 0 423 Pterin-SDZ+H2O https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1b5c10e4-3cad-4c30-aa58-0fc7d6dc0831 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(N)(NC4=O)O C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(N)(NC4=O)O False NC1(O)NC(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cnc2N1 NC1(O)NC(=O)c2nc(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cnc2N1 0 424 Pterin-SDZ+H2O https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1473632e-d4b7-4d6b-a05f-2e0fef5f77bc C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N/C3=C(C(=O)NC(=N3)N)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N/C3=C(C(=O)NC(=N3)N)N False Nc1nc(/N=C/C(=O)CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(N)c(=O)[nH]1 Nc1nc(/N=C/C(=O)CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(N)c(=O)[nH]1 0 425 Pterin-SMX https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7592e5b3-11c5-4dcd-936f-242847e00e4d CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(N)NC4=O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=NC4=C(N=C3)NC(N)NC4=O False Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4c(n3)C(=O)NC(N)N4)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCc3cnc4c(n3)C(=O)NC(N)N4)cc2)no1 0 426 Pterin-SMX+H2O https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8fa54156-60b0-454e-be64-b72128021048 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N\C3=C(C(=O)NC(N)N3)N CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)/C=N\C3=C(C(=O)NC(N)N3)N False Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)/C=N\C3=C(N)C(=O)NC(N)N3)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)/C=N\C3=C(N)C(=O)NC(N)N3)cc2)no1 0 427 Pterin-SMZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c0edb3cb-ac25-43a1-9dea-fa5a233c03d9 CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=C)NC(=N4)N CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=C)NC(=N4)N False C=C1NC(N)=Nc2ncc(CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nc21 C=C1NC(N)=Nc2ncc(CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)nc21 0 428 Pterin-SPY https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e5a4cd2d-28ac-4525-bed4-926a8e83558d C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N False Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4ccccn4)cc3)nc2c(=O)[nH]1 Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4ccccn4)cc3)nc2c(=O)[nH]1 0 429 Pterin-STZ https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cb0e95c6-8e7a-43f7-9807-4bfadfc7392e C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)NCC3=CN=C4C(=N3)C(=O)NC(=N4)N False Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)nc2c(=O)[nH]1 Nc1nc2ncc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)nc2c(=O)[nH]1 0 431 Pyrimidinol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f4174f78-d0fa-4dc7-804f-06905e52aa45 CC(C)C1=NC(=CC(=N1)C)O CC(C)C1=NC(=CC(=N1)C)O False Cc1cc(O)nc(C(C)C)n1 Cc1cc(O)nc(C(C)C)n1 5 433 Ranitidine-N-oxide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/dd87f712-2f91-4870-b328-27cdf807a3d0 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(C[N+](C)(C)[O-])O1 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(C[N+](C)(C)[O-])O1 False CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(C[N+](C)(C)[O-])o1 CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(C[N+](C)(C)[O-])o1 0 434 Ranitidine-S-oxide https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e2f27d6b-0030-4535-a0be-56b783f008a6 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(CN(C)C)O1 CN/C(=C\[N+](=O)[O-])/NCCS(=O)CC1=CC=C(CN(C)C)O1 False CN/C(=C\[N+](=O)[O-])NCCS(=O)Cc1ccc(CN(C)C)o1 CN/C(=C\[N+](=O)[O-])NCCS(=O)Cc1ccc(CN(C)C)o1 0 435 SMX+C3H2O3 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ba15655d-91b3-43d5-b016-eb0958b37a12 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)C(=O)O CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NCC(=O)C(=O)O False Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)C(=O)O)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NCC(=O)C(=O)O)cc2)no1 0 436 SMX+O https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4cc5c24d-7a32-420c-b5d7-31c10552ea42 CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO False Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1 0 437 SPI_TP_M256 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/96d85872-4432-4b7c-ba2b-83d97ba268e2 CCNCC1COC2(CCC(CC2)C(C)(C)C)O1 CCNCC1COC2(CCC(CC2)C(C)(C)C)O1 False CCNCC1COC2(CCC(C(C)(C)C)CC2)O1 CCNCC1COC2(CCC(C(C)(C)C)CC2)O1 0 438 SPI_TP_M270 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/dcd766cc-391f-484f-9eee-880845688ed5 CCCNCC1COC2(CCC(CC2)C(C)(C)C)O1 CCCNCC1COC2(CCC(CC2)C(C)(C)C)O1 False CCCNCC1COC2(CCC(C(C)(C)C)CC2)O1 CCCNCC1COC2(CCC(C(C)(C)C)CC2)O1 0 439 SPI_TP_M300 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0c14eb8d-8d0c-4959-a5f1-f337c73f2331 CCCN(CC)CC1COC2(CCC(CC2O)C(C)C)O1 CCCN(CC)CC1COC2(CCC(CC2O)C(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)C)CC2O)O1 CCCN(CC)CC1COC2(CCC(C(C)C)CC2O)O1 0 440 SPI_TP_M300 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d981033f-594d-4631-9080-3b70ece48736 CCCN(CC)CC1COC2(CCC(CC2)C(C)CO)O1 CCCN(CC)CC1COC2(CCC(CC2)C(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)CO)CC2)O1 CCCN(CC)CC1COC2(CCC(C(C)CO)CC2)O1 0 441 SPI_TP_M300 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cf1b1176-e6ad-4cfc-882e-7c744b885137 CCCN(CC)CC1COC2(CCC(CC2)(C(C)C)O)O1 CCCN(CC)CC1COC2(CCC(CC2)(C(C)C)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)C)CC2)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)C)CC2)O1 0 442 SPI_TP_M300 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d9a61636-77e5-4c52-bd07-ff34355c569f CCCN(CC)CC1COC2(CCC(C(C)C)C(C2)O)O1 CCCN(CC)CC1COC2(CCC(C(C)C)C(C2)O)O1 False CCCN(CC)CC1COC2(CCC(C(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)C)C(O)C2)O1 0 443 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3fcc9de4-a480-40a4-990a-7601e3862795 CCCN(CC)CC1COC2(CC=C(CC2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CC=C(CC2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)CC2O)O1 0 444 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a6d955e6-ab71-43e7-8923-4a4765733661 CCCN(CC)CC1COC2(C=CC(C(C2)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(C=CC(C(C2)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)C2)O1 0 445 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/300c6fe3-d40d-4327-af08-46af252b2f51 CCCN(CC)CC1COC2(C=CC(CC2)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C=CC(CC2)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)CC2)O1 CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)CC2)O1 0 446 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f6d38aab-110c-4fb4-a6e2-0957f232f9af CCCN(CC)CC1COC2(CCC(C=C2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C=C2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C=C2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C=C2O)O1 0 447 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3cb67c1a-5fba-4ba1-bdb8-9852d6826add CCCN(CC)CC1COC2(CCC(=CC2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(=CC2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)=CC2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)=CC2O)O1 0 448 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2151b3f0-8c1d-4252-bc25-309cfef9c6b1 CCCN(CC)CC1COC2(CCC(C(=C2)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(=C2)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)CC2)O1 CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)CC2)O1 0 449 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7683485c-a406-4bb7-bcc0-5ebbc60063d8 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(C)CO)O1 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)CC2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)CC2)O1 0 450 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/62bed73f-c339-40ce-866a-895ab3be80b3 CCCN(CC)CC1COC2(CC=C(C(C2)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CC=C(C(C2)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)C2)O1 0 451 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9cc1cf17-d839-4002-9f13-c1836717d8d9 CCCN(CC)CC1COC2(CC=C(CC2)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CC=C(CC2)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)CC2)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)CC2)O1 0 452 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a755576a-e822-488e-b1de-6fc83764a78a CCCN(CC)CC1COC2(CCC(CC2=O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(CC2=O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2=O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2=O)O1 0 453 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/eec43e79-979f-4916-b75b-560c904e97a4 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C=O)O1 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C=O)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)CC2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)CC2)O1 0 454 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/842d8f7d-213b-4de4-b0ca-d923f1e0d055 CCCN(CC)CC1COC2(CCC(C(=O)C2)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(=O)C2)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(=O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(=O)C2)O1 0 455 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0a7ab78c-857a-47bc-aabb-bb0ac1fd8a58 CCCN(CC)CC1COC2(CCC(=C(C2)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(=C(C2)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)=C(O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)=C(O)C2)O1 0 456 SPI_TP_M312 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/286ba9ce-22fb-46f8-a684-e2dc934623e4 CCCN(CC)CC1COC2(C=CC(CC2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(C=CC(CC2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)CC2O)O1 0 457 SPI_TP_M314 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0613a078-91fd-45be-bf0a-7132e0264c50 CCCN(CC)CC1COC2(CCC(CC2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(CC2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2O)O1 0 458 SPI_TP_M314 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/06073536-cdd7-4d1e-a4a3-787e7883bb59 CCCN(CC)CC1COC2(CCC(CC2)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CCC(CC2)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)CC2)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)CC2)O1 0 459 SPI_TP_M314 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0e7bec6e-1188-44d3-9ffb-8e40ba572ee1 CCCN(CC)CC1COC2(CCC(C(C2)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(C2)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)C2)O1 0 460 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3f7b4bd7-e7a0-409c-be5c-905110c39d62 CCN(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 461 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f32cc247-b04e-4f40-b59c-234b583cae3f CCCN(CC)CC1C(O)OC2(CCC(CC2)C(C)(C)C)O1 CCCN(CC)CC1C(O)OC2(CCC(CC2)C(C)(C)C)O1 False CCCN(CC)CC1OC2(CCC(C(C)(C)C)CC2)OC1O CCCN(CC)CC1OC2(CCC(C(C)(C)C)CC2)OC1O 0 462 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a5dc8c7c-2ac1-41af-bade-65f88aab4417 CCC(N(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CCC(N(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CCC(O)N(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCC(O)N(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 463 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8dd50ee6-51e6-4e1f-9f7b-03633627a5e0 CCCN(CC)CC1(COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(CC)CC1(COC2(CCC(CC2)C(C)(C)C)O1)O False CCCN(CC)CC1(O)COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CC)CC1(O)COC2(CCC(C(C)(C)C)CC2)O1 0 464 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cf9a7a0e-cc90-43ed-a888-97f42cfe8399 CCCN(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCCN(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 465 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d73a0f53-1f90-40c7-bebb-8832b4e3891f CCCN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCCN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCCN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 466 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/72dbd718-3196-483f-a7ae-b0ea01affba2 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)CC2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)CC2)O1 0 467 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9cfd6e19-0fbd-4ac0-9db9-367145383693 CCN(CC(C)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CC(C)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 468 SPI_TP_M314 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c2be35dc-6c6f-47b4-ab16-10722cb122f0 CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O False CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 469 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b960b6b4-0fe5-472b-bdfc-f3d04e928492 CCCN(CC)CC1COC2(CC=C(CC2(O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CC=C(CC2(O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)C)CC2(O)O)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)CC2(O)O)O1 0 470 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/08a24738-6bd4-4c2f-89cb-31d366960468 CCCN(CC)CC1COC2(CCC(C(=C2)O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(C(=C2)O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)CO)CC2)O1 CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)CO)CC2)O1 0 471 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/35c8bcb6-02ba-46cc-9ef1-0c21ee50692f C=CC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)O C=CC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)O False C=CC(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O C=CC(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 472 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/01061d0f-ba6b-42a2-bbd1-2edd71e6c31d C/C=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CO)O C/C=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CO)O False C/C=C/N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CO C/C=C/N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CO 0 473 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e3a5717d-8780-4a2a-b92e-30b4430ddd7f C=CCN(C(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C=CCN(C(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=CCN(C(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CCN(C(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 474 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ff5dcd92-3044-45a3-a2fb-f4f954dfe9bb CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C=O)O CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C=O)O False CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C=O CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C=O 0 475 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/dc9ace85-8a2d-4b4c-80c8-b7989bdb043f CC(C)(C)C1CCC2(CC1)OCC(CN(CCCO)/C=C/O)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(CCCO)/C=C/O)O2 False CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/O)CCCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/O)CCCO)O2 0 476 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/236c48f3-d194-4eda-8e24-cb786ba7a117 CCCN(CC)CC1COC2(C=C(C(CC2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C=C(C(CC2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)CC2O)O1 0 477 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0ba10a0b-d0ab-4808-bc79-b0fefd41812e CCC(N(/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CCC(N(/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CCC(O)N(/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCC(O)N(/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 478 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4076e845-a423-4604-b652-04ce667cc1fa CC(C)(C)C1CCC2(CC1)OCC(CN(CCC=O)CCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(CCC=O)CCO)O2 False CC(C)(C)C1CCC2(CC1)OCC(CN(CCO)CCC=O)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(CCO)CCC=O)O2 0 479 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b6006a23-8357-4307-88e9-359b6383351d C=CC(N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O C=CC(N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False C=CC(O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=CC(O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 480 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0cb8e6a1-be5c-41f0-bd9e-5318cf742485 CCCN(CC)CC1COC2(CCC(=CC2O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(=CC2O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)=CC2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)=CC2O)O1 0 481 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/466f6f51-850c-4e1f-87c3-6ea343945722 CCCN(CC)CC1COC2(CCC(CC2=O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(CC2=O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)CC2=O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)CC2=O)O1 0 482 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9ab88e08-3797-4eef-bba5-a5cd9c8c91fd CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C/O)/O CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C/O)/O False CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C/O CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C/O 0 483 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0e982403-5683-4bf9-ac15-6ad6330424d5 CCC(N(C=C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)O CCC(N(C=C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)O False C=CN(C(O)CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CN(C(O)CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 484 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5497e950-835a-4dd0-8fb6-07c71681658d CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/CO)CCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/CO)CCO)O2 False CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/CO)CCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(/C=C/CO)CCO)O2 0 485 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/eb228bf6-fcb3-4f24-af2f-a1d2eb3ad1a8 CCCN(CC)CC1COC2(C=CC(CC2O)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C=CC(CC2O)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)CC2O)O1 0 486 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fb3ce6ca-711e-478a-9ef5-56b394a13e31 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(C)C(O)O)O1 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(C)C(O)O)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C(O)O)CC2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C(O)O)CC2)O1 0 487 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/803e5496-d637-4b92-a5c6-0ea3726e1d79 C/C(=C/N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)/O C/C(=C/N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)/O False C/C(O)=C/N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C/C(O)=C/N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 488 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b7664ded-1a6d-4e65-afd6-0bafe285a496 CCCN(CC)CC1COC2(CC(C(C=C2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(C(C=C2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)C=C2O)O1 CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)C=C2O)O1 0 489 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/17b4070f-48e8-4147-891f-fc0ccfb8f17f CCCN(CC)CC1COC2(CC(=O)C(CC2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CC(=O)C(CC2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CC(=O)C(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(CC(=O)C(C(C)(C)C)CC2O)O1 0 490 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b4081318-c9ca-4338-bf63-fc014a333e53 C=C(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)O C=C(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)O False C=C(O)CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O C=C(O)CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 491 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b52703fc-4a52-409d-9500-11fd97bd3ca0 C=CN(CCCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C=CN(CCCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=CN(CCCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CN(CCCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 492 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e2738f42-9ebc-4ddd-a9f4-135f388d5b3a C=C(CN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O C=C(CN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False C=C(O)CN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)CN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 493 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9297f9f2-c964-4dde-9f05-6b112c67d934 CCN(/C=C(/CO)\O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(/C=C(/CO)\O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(/C=C(\O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(/C=C(\O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 494 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7a293dac-6bf2-427b-b262-27ef32b045b9 CCC(N(CC)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1)O CCC(N(CC)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCC(O)N(CC)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCC(O)N(CC)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 495 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/53b7f877-b9ac-441e-bd33-c97fa517b63d CCN(CC(=C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(CC(=C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=C(O)CN(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)CN(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 496 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/756cd912-1f0c-4388-826b-f2ec7e35563d CCCN(CC)CC1COC2(CCC(C(=O)C2)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(C(=O)C2)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)C(=O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)C(=O)C2)O1 0 497 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/456ba3d8-316e-462f-a887-a69e3ace5b2e CCCN(CC)CC1COC2(CC=C(CC2O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CC=C(CC2O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)CC2O)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)CC2O)O1 0 498 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7381ece4-ad94-433f-84e0-37bc435f64da C=CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CCO)O C=CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CCO)O False C=CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CCO C=CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CCO 0 499 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e75dc657-c1ec-4d38-8322-2c01bcd500b3 CC(N(/C=C/CO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CC(N(/C=C/CO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CC(O)N(/C=C/CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(O)N(/C=C/CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 500 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/60baf657-ccb0-404a-af14-3e5cd5d583b4 C/C=C/N(C(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C/C=C/N(C(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C/C=C/N(C(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C/C=C/N(C(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 501 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b4f6811f-3140-419a-89c9-b1e90c5624b5 CCCN(C(=O)C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(C(=O)C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCCN(C(C)=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(C(C)=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 502 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d462b31a-8437-4204-afa2-acc08edf75f4 CCC(=O)N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O CCC(=O)N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O False CCC(=O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O CCC(=O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 503 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/db8e1954-8d92-4a3a-82c5-17ea0c63c92c CCCN(CC)CC1COC2(CCC(=CC2(O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(=CC2(O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)=CC2(O)O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)=CC2(O)O)O1 0 504 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bc169b56-cc84-452d-83e1-2176bab4dc54 CCCN(CC)CC1COC2(CCC(C=C2O)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CCC(C=C2O)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)C=C2O)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)C=C2O)O1 0 505 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2d0666f6-a612-463f-96f2-58bbbc23d51d CCCN(CC)CC1COC2(CC=C(CC2)C(C)(CO)CO)O1 CCCN(CC)CC1COC2(CC=C(CC2)C(C)(CO)CO)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(CO)CO)CC2)O1 CCCN(CC)CC1COC2(CC=C(C(C)(CO)CO)CC2)O1 0 506 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/adc11a44-a864-4700-95c4-69cd414162c9 CCC(N(CC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CCC(N(CC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CCC(O)N(CC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCC(O)N(CC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 507 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a8e577ca-b485-4150-9bbb-86100a8e2e9e CCN(CCC(=O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CCC(=O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CCC(=O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CCC(=O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 508 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ee072654-7ad8-476f-9d87-c28ef43b7600 CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C(/C)\O)/O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C(/C)\O)/O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C(/C)O CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C(/C)O 0 509 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/836f919a-78dc-4077-955f-ad030648d5a1 C=CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CO)O C=CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CO)O False C=CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CO C=CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CO 0 510 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/be48fb4c-a2c3-4494-a1c2-0829f89a3207 CCN(/C=C(/C)\O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(/C=C(/C)\O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCN(/C=C(/C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(/C=C(/C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 511 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cca1dc6f-df85-4923-ae45-f30d19980336 CC(=O)CN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CC(=O)CN(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CC(=O)CN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(=O)CN(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 512 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cb04e6ce-b430-4d71-854b-bd09d7692f7e CCC(=O)N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCC(=O)N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCC(=O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCC(=O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 513 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8d8ddc6c-255e-46a1-97d5-73e8076bd484 CCCN(CC)CC1COC2(C=CC(CC2(O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(C=CC(CC2(O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C)CC2(O)O)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)CC2(O)O)O1 0 514 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4b38e982-d350-4220-b7a5-5b9367490829 CCCN(CCO)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 CCCN(CCO)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 False CCCN(CCO)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CCO)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 515 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7948f436-0cb2-4537-bf0a-3b1d7e44fe07 C=CN(CC(CO)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 C=CN(CC(CO)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False C=CN(CC(O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=CN(CC(O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 516 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b5433dbf-d104-449b-bdaa-48856af82bfc CCCN(CC)CC1COC2(C(=CC(CC2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C(=CC(CC2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(O1)C(O)=CC(C(C)(C)C)CC2O CCCN(CC)CC1COC2(O1)C(O)=CC(C(C)(C)C)CC2O 0 517 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f5b6821e-3cfc-4b46-960d-c5368ff2f1f1 CCCN(CC)CC1COC2(CCC(C(=O)C2O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(=O)C2O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(=O)C2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(=O)C2O)O1 0 518 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/78c1cddd-2295-4f73-9b82-2b40d3c144d0 CCCN(CC)CC1COC2(C=CC(C(C2O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(C=CC(C(C2O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)C2O)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)C2O)O1 0 519 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0697e78c-11b2-4903-9a0a-135aa08f58f7 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C=O)CO)O1 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C=O)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C=O)CO)CC2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C=O)CO)CC2)O1 0 520 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e708c77d-7e59-4bf1-891f-7d2c9624575a CCN(CCCO)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CCCO)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CCCO)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CCCO)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 521 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3eec605c-c568-4b3f-88c4-6e9d9f65a1dd CC(N(CCC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CC(N(CCC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CC(O)N(CCC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(O)N(CCC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 522 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d1820b5e-a92c-4cc5-8b96-bb477b0f4ef7 CCCN(CC=O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(CC=O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCCN(CC=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CC=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 523 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b49dd43b-35d5-4743-980c-14e42f5d3c7a CC(C)(C)C1CCC2(CC1)OCC(CN(CCCO)CC=O)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(CCCO)CC=O)O2 False CC(C)(C)C1CCC2(CC1)OCC(CN(CC=O)CCCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(CC=O)CCCO)O2 0 524 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3c8f3686-8e6c-47be-9cbb-5fce5967d94b CCCN(CC)CC1COC2(CCC(C=C2O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(C=C2O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)C=C2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)C=C2O)O1 0 525 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ac77653b-3ea9-4938-980d-51c9fadc7daa CCCN(CC)CC1COC2(CC(C(CC2=O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(C(CC2=O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)CC2=O)O1 CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)CC2=O)O1 0 526 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e2bed0ba-59a9-417c-9407-66c8f4c8337c CCCN(CC)CC1COC2(C(C=C(CC2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C(C=C(CC2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(O1)C(O)C=C(C(C)(C)C)CC2O CCCN(CC)CC1COC2(O1)C(O)C=C(C(C)(C)C)CC2O 0 527 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/512ec597-6359-42c2-bac2-68681b6dd1c6 CCCN(CC)CC1COC2(C=CC(C(C2)O)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C=CC(C(C2)O)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)C)C(O)C2)O1 0 528 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2e359408-a60a-4a27-adca-01af8eab3215 CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(/C=C\O)O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(/C=C\O)O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)/C=C\O CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)/C=C\O 0 529 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/782d2576-38ac-4381-93e1-84d96096ac26 CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CC=O)O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(CC=O)O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CC=O CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CC=O 0 530 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/231d16b2-2574-46a7-8328-93d10c61f883 C/C=C(/N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)\O C/C=C(/N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)\O False C/C=C(\O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C/C=C(\O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 531 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7039fca8-d150-4072-b753-6427515f1a0c CCCN(CC)CC1COC2(CCC(CC2)(C(C)(C)C=O)O)O1 CCCN(CC)CC1COC2(CCC(CC2)(C(C)(C)C=O)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C=O)CC2)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C=O)CC2)O1 0 532 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4259d719-7bb7-41b1-ae1a-2b570137ab86 CC(CN(CC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CC(CN(CC=O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CC(O)CN(CC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(O)CN(CC=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 533 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4d1aa6f0-dfec-46e7-9f84-5bf9d73e23c4 CCCN(/C=C/O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(/C=C/O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCCN(/C=C/O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(/C=C/O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 534 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6de67dbf-2073-462a-ab4b-edfd9318c38d CC(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C)O CC(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C)O False CC(=O)N(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(=O)N(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 535 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/26fe10d7-5a0f-4f59-becd-2ef457238b68 CCCN(CC)CC1COC2(C=CC(C(C2)O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(C=CC(C(C2)O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)C(O)C2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)C(O)C2)O1 0 536 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/21683da2-02a1-46a7-ae71-fb3b0cc5c85b CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(=C)O)O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(=C)O)O False C=C(O)C(O)N(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)C(O)N(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 537 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ccd140fb-de1d-474f-b223-7d90025e737b C/C(=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)/O C/C(=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)/O False C/C(O)=C/N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O C/C(O)=C/N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 538 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6ca3c6c4-c496-4080-8cf6-e20280cda8de CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C(C)O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C(C)O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)C(C)O CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)C(C)O 0 539 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/73ab6618-6339-4319-b045-f87cdd5a3f7f CC(=O)N(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CC(=O)N(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CC(=O)N(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(=O)N(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 540 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/98ab97f9-93bb-497e-a7a6-091d70ac3eb5 CCN(CC(=O)C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(CC(=O)C)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCN(CC(C)=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC(C)=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 541 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/005c294d-da75-401b-bb46-65cd1b5dd778 CCN(CCC=O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(CCC=O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCN(CCC=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CCC=O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 542 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/dbaed623-8a2b-4d80-a556-c36527f7242d C/C=C(/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)\O C/C=C(/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O)\O False C/C=C(\O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O C/C=C(\O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 543 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/68226a54-a8f0-450d-95ba-4fcfa59759c6 CCCN(CC)CC1COC2(CCC(C(=C2)O)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CCC(C(=C2)O)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=C(O)C(O)(C(C)(C)C)CC2)O1 CCCN(CC)CC1COC2(C=C(O)C(O)(C(C)(C)C)CC2)O1 0 544 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7cc78b26-08b8-4fb7-8939-9af2429cdda7 CCCN(C(=C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCCN(C(=C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=C(O)N(CCC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)N(CCC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 545 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/98cce739-a83c-4af9-8153-adcd9b2980c9 CCCN(CC)CC1COC2(CC(=C(CC2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(=C(CC2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(O)=C(C(C)(C)C)CC2O)O1 CCCN(CC)CC1COC2(CC(O)=C(C(C)(C)C)CC2O)O1 0 546 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/818a3ddc-8207-4364-ae65-2617f748599f CCCN(CC)CC1COC2(C=CC(CC2)(C(C)(C)CO)O)O1 CCCN(CC)CC1COC2(C=CC(CC2)(C(C)(C)CO)O)O1 False CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)CO)CC2)O1 CCCN(CC)CC1COC2(C=CC(O)(C(C)(C)CO)CC2)O1 0 547 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d911af3b-5868-43f2-b7ff-8ef1a4a601bc CCCN(CC)CC1COC2(C(CC(CC2=O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C(CC(CC2=O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(O1)C(=O)CC(C(C)(C)C)CC2O CCCN(CC)CC1COC2(O1)C(=O)CC(C(C)(C)C)CC2O 0 548 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1690b17d-24e1-4dea-812f-40660882ee1d CC(C)(C)C1CCC2(CC1)OCC(CN(C/C=C/O)CCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(C/C=C/O)CCO)O2 False CC(C)(C)C1CCC2(CC1)OCC(CN(C/C=C/O)CCO)O2 CC(C)(C)C1CCC2(CC1)OCC(CN(C/C=C/O)CCO)O2 0 549 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/12f8f629-89e9-4cbf-bb17-1235961903d9 CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C/CO)/O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C(=C/CO)/O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C/CO CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)/C(O)=C/CO 0 550 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e226ab9e-69e9-4062-a60b-9c10c3fcb3a7 CCCN(CC)CC1COC2(CCC(C(=O)C2)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CCC(C(=O)C2)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)C(=O)C2)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)C(=O)C2)O1 0 551 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c9e99aaa-af66-48f2-9d5c-53f759dcd9c7 C=CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(C)O)O C=CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(C)O)O False C=CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C(C)O C=CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C(C)O 0 552 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2b7d4581-b82c-4721-b253-a34cec50c089 CCCN(CC)CC1COC2(CC=C(C(C2)O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CC=C(C(C2)O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)C(O)C2)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)CO)C(O)C2)O1 0 553 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/81a13a07-1ada-420e-bb4c-f8a20d7eeec5 CCN(CC(=O)CO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CC(=O)CO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CC(=O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC(=O)CO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 554 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d1143691-d4be-45a7-9051-e37823d58690 CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)CO CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)CO False CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)CO CCCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)CO 0 555 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/16a8179b-bd44-464a-8a61-1e8d06eb6d39 CCCN(CC)CC1COC2(CC(C(=CC2O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(C(=CC2O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)=CC2O)O1 CCCN(CC)CC1COC2(CC(O)C(C(C)(C)C)=CC2O)O1 0 556 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0225c271-db42-432e-9e0c-0749291c84b1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(C2)(O)O)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(C2)(O)O)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)(O)C2)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)(O)C2)O1 0 557 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b84657c9-8164-4f8b-a378-513d5d52e3d8 CCCN(C(C)O)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 CCCN(C(C)O)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 False CCCN(C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O CCCN(C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 558 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1fd1137a-4f27-4b4d-8b50-33dce655e025 CCCN(CC)CC1COC2(C=CC(CC2O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(C=CC(CC2O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)CC2O)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)CO)CC2O)O1 0 559 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9b678cdd-6bdc-43fb-8636-6134637f6c36 C=CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(O)O C=CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(O)O False C=CCN(CC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=CCN(CC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 560 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/59e848df-7c4d-4a93-90f2-3e37bacf0192 CCN(C/C=C(\O)/O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(C/C=C(\O)/O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CC=C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC=C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 561 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ef42e55e-241a-428c-a732-dab25ed35b2d C=CN(CCC(O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 C=CN(CCC(O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False C=CN(CCC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=CN(CCC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 562 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/03f890c6-ccd1-41cc-af18-1f9446120bce CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(C2)(O)O)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(C2)(O)O)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)(O)C2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(C)C)C(O)(O)C2)O1 0 563 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/761dc15d-b926-4bc6-9d02-7c78921408b4 CCN(C/C=C\O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(C/C=C\O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCN(C/C=C\O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(C/C=C\O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 564 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cb7fbe5e-9913-433b-81e3-f188128c272b CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)CCO CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)CCO False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)CCO CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(=O)CCO 0 565 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8891bf98-fd96-4eb8-bd2e-2de590dcef57 CCN(CC(C=O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CC(C=O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CC(O)C=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC(O)C=O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 566 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7b7edde6-a12b-4140-b9fb-ba1f77d3b06a CCC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C)O CCC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=O)C)O False CCC(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)=O CCC(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)=O 0 567 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/13cc68cd-126a-45a1-b787-d73c15b56d39 CCN(CC(C)O)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 CCN(CC(C)O)C(=O)C1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(CC(C)O)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(CC(C)O)C(=O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 568 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/2ddada6a-af1f-4b34-894a-adb59b0e287e CCN(/C=C/C(O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(/C=C/C(O)O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(/C=C/C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(/C=C/C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 569 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/11bd625c-bddd-47e3-af1f-12f9d9fa64d9 CC(=O)CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O CC(=O)CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C)O False CC(=O)CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O CC(=O)CN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(C)O 0 570 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9af5c4f9-5e3d-4e5d-9611-2d62fdbed976 CCN(C/C(=C\O)/O)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCN(C/C(=C\O)/O)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCN(C/C(O)=C\O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCN(C/C(O)=C\O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 571 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7dd0a787-4f5b-4e67-88e7-085454caf731 CCCN(CC)CC1COC2(CCC(=C(C2)O)C(C)(C)CO)O1 CCCN(CC)CC1COC2(CCC(=C(C2)O)C(C)(C)CO)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)CO)=C(O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)CO)=C(O)C2)O1 0 572 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ed8f6b3f-79b9-4772-a674-39295223cd5b CCCN(CC)CC1COC2(CCC(C(=C2O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(=C2O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)=C2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)=C2O)O1 0 573 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/12c9ade4-4e0b-4281-b2bd-0aa9839a76d5 C/C=C(/N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)\O C/C=C(/N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)\O False C/C=C(\O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C/C=C(\O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 574 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/dcef18d1-c57a-4edc-867c-b0ce4e9c44d9 CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(=O)C)O CCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(C(=O)C)O False CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C(C)=O CCN(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)C(C)=O 0 575 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/16a1cd97-47ed-437f-b568-636fc536b904 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(CO)CO)O1 CCCN(CC)CC1COC2(C=CC(CC2)C(C)(CO)CO)O1 False CCCN(CC)CC1COC2(C=CC(C(C)(CO)CO)CC2)O1 CCCN(CC)CC1COC2(C=CC(C(C)(CO)CO)CC2)O1 0 576 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a8332212-a59a-4a3e-9edd-c7d24dfcb079 CCCN(CC)CC1COC2(CC(C(C(=O)C2)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(C(C(=O)C2)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(=O)C(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(CC(=O)C(C(C)(C)C)C(O)C2)O1 0 577 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/79a1675d-e550-4b20-942b-ad8be2d516b0 CCN(/C=C/CO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O CCN(/C=C/CO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False CCN(/C=C/CO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 CCN(/C=C/CO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 578 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4bfd7bc9-064d-42b5-a061-bdaf217a7885 C=C(N(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O C=C(N(CCCO)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False C=C(O)N(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)N(CCCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 579 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/714b84d4-74b7-47de-8c65-80a82b5bb6e1 CCCN(CC)CC1COC2(CCC(C(C2)O)C(C)(C)C=O)O1 CCCN(CC)CC1COC2(CCC(C(C2)O)C(C)(C)C=O)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)C(O)C2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)C(O)C2)O1 0 580 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0122ceed-8841-45f0-a794-7534217d4139 C=CC(N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)O C=CC(N(CC)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O)O False C=CC(O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CC(O)N(CC)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 581 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1bd5fe1b-d8d6-492e-8d79-b53ef8cc44a8 CCCN(CC)CC1COC2(CCC(CC2O)C(C)(C)C=O)O1 CCCN(CC)CC1COC2(CCC(CC2O)C(C)(C)C=O)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)CC2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C=O)CC2O)O1 0 582 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9c0d276b-2428-4cb4-a7fe-918e95cc97f9 CCCN(CC)CC1COC2(CCC(=C(C2O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(=C(C2O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)=C(O)C2O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)=C(O)C2O)O1 0 583 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a8efed86-99fd-4a13-8aaf-dd924de489c6 CCCN(CC)CC1COC2(CC(C(=C(C2)O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CC(C(=C(C2)O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CC(O)=C(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(CC(O)=C(C(C)(C)C)C(O)C2)O1 0 584 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d506ee2f-fffc-4fc6-995a-6ebbaaf6203b CCCN(CC)CC1COC2(C=C(C(C(C2)O)C(C)(C)C)O)O1 CCCN(CC)CC1COC2(C=C(C(C(C2)O)C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)C(O)C2)O1 CCCN(CC)CC1COC2(C=C(O)C(C(C)(C)C)C(O)C2)O1 0 585 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/0bd27137-866a-479d-9377-eaf1e9af9df6 C/C=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(O)O C/C=C/N(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(O)O False C/C=C/N(CC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 C/C=C/N(CC(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 586 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a283fdcd-924e-41d5-9c9b-5bfd8fc9d01a CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(=O)O CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)CC(=O)O False CCCN(CC(=O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CC(=O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 587 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/418b996d-1bfa-425a-9ca9-2314e20e75f8 C=CN(CC(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C=CN(CC(C)O)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=CN(CC(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CN(CC(C)O)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 588 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c3071a5f-8d52-4314-a99b-7156ebb155b0 CCC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=C)O)O CCC(N(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=C)O)O False C=C(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CC C=C(O)N(CC1COC2(CCC(C(C)(C)C)CC2)O1)C(O)CC 0 589 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/826f84b4-6191-4e46-987e-1bc8d540c4a6 CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C=C(\O)/O CCCN(CC1COC2(CCC(CC2)C(C)(C)C)O1)/C=C(\O)/O False CCCN(C=C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(C=C(O)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 590 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/223953fc-58a8-40f8-897d-7f47271521f1 CC(CN(/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CC(CN(/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CC(O)CN(/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(O)CN(/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 591 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a08a4447-9976-4a0a-b1b2-fb7e3764af14 C/C=C/N(CCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C/C=C/N(CCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C/C=C/N(CCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C/C=C/N(CCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 592 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/c135cd6b-d5fa-4337-a76d-e030eb157df6 C=CCN(CCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O C=CCN(CCO)C(C1COC2(CCC(CC2)C(C)(C)C)O1)O False C=CCN(CCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 C=CCN(CCO)C(O)C1COC2(CCC(C(C)(C)C)CC2)O1 0 593 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5346029f-e792-492f-ad8e-b01b2f460bf6 CCCN(CC)CC1COC2(CCC(CC2=O)(C(C)(C)C)O)O1 CCCN(CC)CC1COC2(CCC(CC2=O)(C(C)(C)C)O)O1 False CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)CC2=O)O1 CCCN(CC)CC1COC2(CCC(O)(C(C)(C)C)CC2=O)O1 0 594 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6c3d505a-9f38-4fbd-9917-65e93ee57f8d CCCN(CC)CC1COC2(CC=C(C(C2O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CC=C(C(C2O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)C2O)O1 CCCN(CC)CC1COC2(CC=C(C(C)(C)C)C(O)C2O)O1 0 595 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/05a18488-21f6-497d-a442-5c5717973313 CCCN(CC)CC1COC2(CCC(C(C2=O)O)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(C(C2=O)O)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)C2=O)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)C(O)C2=O)O1 0 596 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/634f9505-4009-4acf-abe5-479ea827478f CC(N(C/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O CC(N(C/C=C/O)CC1COC2(CCC(CC2)C(C)(C)C)O1)O False CC(O)N(C/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 CC(O)N(C/C=C/O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 597 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/40f3d8ca-6369-4afd-9d62-710daffef8d8 CC(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=C)O)O CC(CN(CC1COC2(CCC(CC2)C(C)(C)C)O1)C(=C)O)O False C=C(O)N(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 C=C(O)N(CC(C)O)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 598 SPI_TP_M328 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8539b0b2-670e-4c7d-8a92-5417dc5a5e1a CCC(=O)N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCC(=O)N(CCO)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCC(=O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCC(=O)N(CCO)CC1COC2(CCC(C(C)(C)C)CC2)O1 0 599 Spiroxamine https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cc1e02ea-4b63-46c6-8f76-f638c783c00a CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1 False CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1 12 600 Sulfadiazine (SDZ) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/963d0631-a222-43ea-88aa-086cd69da591 C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N False Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 0 601 Sulfamethazine (SMZ) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/6c127e83-1760-493b-99ea-30acdb443e6c CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N CC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N False Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 0 602 Sulfamethoxazole https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d9df7995-af11-4126-b4f5-0d458ec9973f CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N False Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 0 603 Sulfamic acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/ce1e2342-d7d3-4800-88d5-e5f3455ad8d7 NS(=O)(=O)[O-] NS(=O)(=O)[O-] False NS(=O)(=O)O NS(=O)(=O)O 0 604 Sulfapyridine (SPY) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5bcdad00-95b1-4687-8cc5-ae36003dde60 C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N C1=CC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N False Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 0 606 TEB_TP_M144 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a93f033c-1b0b-4dda-8f16-42a9bbbd83c1 CC(C)NC(=O)C(C)(C)C CC(C)NC(=O)C(C)(C)C False CC(C)NC(=O)C(C)(C)C CC(C)NC(=O)C(C)(C)C 0 607 TMP_TP_M290 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/e81c983a-d91a-4d0b-af0d-570eb4b1b699 COC1=CC(=CC(=C1O)OC)C(=O)C2=C(N)N=C(N)N=C2 COC1=CC(=CC(=C1O)OC)C(=O)C2=C(N)N=C(N)N=C2 False COc1cc(C(=O)c2cnc(N)nc2N)cc(OC)c1O COc1cc(C(=O)c2cnc(N)nc2N)cc(OC)c1O 0 608 TMP_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/9f4c3aac-d163-46ae-a0f7-aaf3518dd91a COC1=CC(=CC(=C1O)OC)C(C2=C(N)N=C(N)N=C2)O COC1=CC(=CC(=C1O)OC)C(C2=C(N)N=C(N)N=C2)O False COc1cc(C(O)c2cnc(N)nc2N)cc(OC)c1O COc1cc(C(O)c2cnc(N)nc2N)cc(OC)c1O 0 609 TMP_TP_M306 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/bb25d6da-ece3-4bdb-9f97-ae2deb587b44 COC1=CC(=CC(=C1OC)OC)C(C2=C(N)N=C(N)N=C2)O COC1=CC(=CC(=C1OC)OC)C(C2=C(N)N=C(N)N=C2)O False COc1cc(C(O)c2cnc(N)nc2N)cc(OC)c1OC COc1cc(C(O)c2cnc(N)nc2N)cc(OC)c1OC 0 610 TMP_TP_M324 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/70ab8113-806a-4f68-a028-e43610ee3844 COC1=CC(=CC(=C1OC)OC)CC2(C(N)NC(=NC2=O)N)O COC1=CC(=CC(=C1OC)OC)CC2(C(N)NC(=NC2=O)N)O False COc1cc(CC2(O)C(=O)N=C(N)NC2N)cc(OC)c1OC COc1cc(CC2(O)C(=O)N=C(N)NC2N)cc(OC)c1OC 0 613 Trinexapac acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f02896f6-a2c9-462d-84b0-4b746021bd42 C1CC1C(=C2C(=O)CC(CC2=O)C(=O)O)O C1CC1C(=C2C(=O)CC(CC2=O)C(=O)O)O False O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1 O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1 0 615 VAL_TP_M252 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/8f5ddb4e-9ee4-4737-840f-87290280637e C1=CC(=C(C=C1)C2=NN=NN2)C3=CC=C(C=C3)CN C1=CC(=C(C=C1)C2=NN=NN2)C3=CC=C(C=C3)CN False NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 0 616 VAL_TP_M336 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/f9f7763e-bf3f-42fc-96d8-ea5f2ad5b0f4 CCCCC(=O)NCC1=CC=C(C=C1)C2=C(C=CC=C2)C3=NN=NN3 CCCCC(=O)NCC1=CC=C(C=C1)C2=C(C=CC=C2)C3=NN=NN3 False CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 0 617 VEN_TP_M274 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/660f5994-17d1-4410-b05e-aaea5754221a CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CC=CC2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CC=CC2)O False COc1ccc(C(CN(C)C)C2(O)C=CC=CC2)cc1 COc1ccc(C(CN(C)C)C2(O)C=CC=CC2)cc1 0 618 VEN_TP_M274 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/afdca49d-6bc0-414a-9ca5-82f47bd19d1c CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCC=C2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCC=C2)O False COc1ccc(C(CN(C)C)C2(O)C=CCC=C2)cc1 COc1ccc(C(CN(C)C)C2(O)C=CCC=C2)cc1 0 619 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b7348380-7627-4af3-878f-d47f3f2b91de CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=CC(C2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=CC(C2)O)O False COc1ccc(C(CN(C)C)C2(O)CC=CC(O)C2)cc1 COc1ccc(C(CN(C)C)C2(O)CC=CC(O)C2)cc1 0 620 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b8f8e0d4-e602-4c21-8aac-029b7b973002 CN(C)CC(C1=CC=C(C=C1)OC)(C2(C=CCCC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)(C2(C=CCCC2)O)O False COc1ccc(C(O)(CN(C)C)C2(O)C=CCCC2)cc1 COc1ccc(C(O)(CN(C)C)C2(O)C=CCCC2)cc1 0 621 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/04b68e99-0a8a-49e9-9008-74be8afb0419 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC=C(C2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC=C(C2)O)O False COc1ccc(C(CN(C)C)C2(O)CCC=C(O)C2)cc1 COc1ccc(C(CN(C)C)C2(O)CCC=C(O)C2)cc1 0 622 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/26af7eeb-2cc9-4574-bff0-ced81e77c363 CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CC(CC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CC(CC2)O)O False COc1ccc(C(CN(C)C)C2(O)C=CC(O)CC2)cc1 COc1ccc(C(CN(C)C)C2(O)C=CC(O)CC2)cc1 0 623 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/011be806-916c-4738-987a-fd0e7a50a265 CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCC(C2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCC(C2)O)O False COc1ccc(C(CN(C)C)C2(O)C=CCC(O)C2)cc1 COc1ccc(C(CN(C)C)C2(O)C=CCC(O)C2)cc1 0 624 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/55102ad5-a931-468e-999b-33b88924bc8c CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=CCC2O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=CCC2O)O False COc1ccc(C(CN(C)C)C2(O)CC=CCC2O)cc1 COc1ccc(C(CN(C)C)C2(O)CC=CCC2O)cc1 0 625 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/5bed3ce0-8d32-4623-a8d9-52c01d151c30 CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=C(CC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CC=C(CC2)O)O False COc1ccc(C(CN(C)C)C2(O)CC=C(O)CC2)cc1 COc1ccc(C(CN(C)C)C2(O)CC=C(O)CC2)cc1 0 626 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a163a581-2daa-4405-8132-1e2c3255e46d CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(=C2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(=C2)O)O False COc1ccc(C(CN(C)C)C2(O)C=C(O)CCC2)cc1 COc1ccc(C(CN(C)C)C2(O)C=C(O)CCC2)cc1 0 627 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7b702f85-bec5-45ab-8d3a-82999f62d297 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC(=O)CC2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC(=O)CC2)O False COc1ccc(C(CN(C)C)C2(O)CCC(=O)CC2)cc1 COc1ccc(C(CN(C)C)C2(O)CCC(=O)CC2)cc1 0 628 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/df75a51b-fb88-4f96-812b-6090ae81bd16 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC=C2O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC=C2O)O False COc1ccc(C(CN(C)C)C2(O)CCCC=C2O)cc1 COc1ccc(C(CN(C)C)C2(O)CCCC=C2O)cc1 0 629 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/b45e23ab-9f42-4de7-a009-456a014d31fd CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCCC2O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(C=CCCC2O)O False COc1ccc(C(CN(C)C)C2(O)C=CCCC2O)cc1 COc1ccc(C(CN(C)C)C2(O)C=CCCC2O)cc1 0 630 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1a16da03-8e87-437c-96b3-90d387e85634 CN(C)CC(C1=CC=C(C=C1)OC)(C2(CC=CCC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)(C2(CC=CCC2)O)O False COc1ccc(C(O)(CN(C)C)C2(O)CC=CCC2)cc1 COc1ccc(C(O)(CN(C)C)C2(O)CC=CCC2)cc1 0 631 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/05bcc327-b9a2-4db6-9e60-c56bdc3dc250 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC=CC2O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC=CC2O)O False COc1ccc(C(CN(C)C)C2(O)CCC=CC2O)cc1 COc1ccc(C(CN(C)C)C2(O)CCC=CC2O)cc1 0 632 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/86625e55-482d-4391-bdf0-be49e862677e CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(=O)C2)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(=O)C2)O False COc1ccc(C(CN(C)C)C2(O)CCCC(=O)C2)cc1 COc1ccc(C(CN(C)C)C2(O)CCCC(=O)C2)cc1 0 633 VEN_TP_M292 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/30518ce5-63bc-4ff7-97d0-5158f457b5c8 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2=O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2=O)O False COc1ccc(C(CN(C)C)C2(O)CCCCC2=O)cc1 COc1ccc(C(CN(C)C)C2(O)CCCCC2=O)cc1 0 634 VEN_TP_M294 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/1c90a6d8-6b4a-40a2-a7e2-2996dc6472a4 C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-] False COc1ccc(C(C[N+](C)(C)[O-])C2(O)CCCCC2)cc1 COc1ccc(C(C[N+](C)(C)[O-])C2(O)CCCCC2)cc1 0 635 VEN_TP_M294 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/cd02b082-07a5-475e-a109-ccef4f578c80 CN(C)CC(C1=CC=C(C=C1O)OC)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1O)OC)C2(CCCCC2)O False COc1ccc(C(CN(C)C)C2(O)CCCCC2)c(O)c1 COc1ccc(C(CN(C)C)C2(O)CCCCC2)c(O)c1 0 636 VEN_TP_M294 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/d12a0a0b-eb15-42c8-a9a3-1dddd629cd92 CN(C)CC(C1=CC=C(C=C1)OCO)C2(CCCCC2)O CN(C)CC(C1=CC=C(C=C1)OCO)C2(CCCCC2)O False CN(C)CC(c1ccc(OCO)cc1)C1(O)CCCCC1 CN(C)CC(c1ccc(OCO)cc1)C1(O)CCCCC1 0 637 VEN_TP_M294 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/7ead4ccf-4c5c-4132-9a80-3a5232bf6a0f CN(C)CC(C1=CC=C(C(=C1)O)OC)C2(CCCCC2)O CN(C)CC(C1=CC=C(C(=C1)O)OC)C2(CCCCC2)O False COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1O COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1O 0 638 VEN_TP_M294 (2) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/fe1164c7-b20c-4721-b8ce-321afefc3360 CN(C)CC(C1=CC=C(C=C1)OC)(C2(CCCCC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)(C2(CCCCC2)O)O False COc1ccc(C(O)(CN(C)C)C2(O)CCCCC2)cc1 COc1ccc(C(O)(CN(C)C)C2(O)CCCCC2)cc1 0 639 VEN_TP_M294 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/541a0f7d-d32a-4567-940d-cea14a2db640 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2O)O False COc1ccc(C(CN(C)C)C2(O)CCCCC2O)cc1 COc1ccc(C(CN(C)C)C2(O)CCCCC2O)cc1 0 640 VEN_TP_M294 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4060147d-4a62-48f4-be88-bf38bba96603 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC(CC2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCC(CC2)O)O False COc1ccc(C(CN(C)C)C2(O)CCC(O)CC2)cc1 COc1ccc(C(CN(C)C)C2(O)CCC(O)CC2)cc1 0 641 VEN_TP_M294 (3) https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/4a3bc437-fd6c-40ab-98ed-6e5a0ea9c781 CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(C2)O)O CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCC(C2)O)O False COc1ccc(C(CN(C)C)C2(O)CCCC(O)C2)cc1 COc1ccc(C(CN(C)C)C2(O)CCCC(O)C2)cc1 0 643 Valsartan acid https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/885a8881-efb6-4166-a392-cf5ca1bfb7d5 OC(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1 OC(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1 False O=C(O)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 O=C(O)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 0 645 X1_TP_M259 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/a2d66943-b02a-4dff-96e0-5d4c8da3e8c9 CC1CCC2C3=CC=C(C=C3CCC2C1C(=O)O)O CC1CCC2C3=CC=C(C=C3CCC2C1C(=O)O)O False CC1CCC2c3ccc(O)cc3CCC2C1C(=O)O CC1CCC2c3ccc(O)cc3CCC2C1C(=O)O 0 647 mPH2_TP_M108 https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/774db20f-0940-481c-a3e4-a3662e9c250a CC1=C(C=CC=C1)N CC1=C(C=CC=C1)N False Cc1ccccc1N Cc1ccccc1N 0 648 p-Chlorophenol https://envipath.org/package/4a3cd0f4-4d2b-4f00-b3e6-a29e721f7038/compound/3ad8c8fc-a622-474b-aa6f-abdc85c85a05 C1=C(C=CC(=C1)O)Cl C1=C(C=CC(=C1)O)Cl False Oc1ccc(Cl)cc1 Oc1ccc(Cl)cc1 0