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493 SMILES Strings for Phenylethanolamine N-methyltransferase

Compound NameSMILES String
BDBM6 O=C1CCCCC1
BDBM10758 NCCc1ccccc1
BDBM10999 NCc1ccccc1
BDBM12584 NCc1cccc(Cl)c1
BDBM13014 Clc1ccc2CCNCc2c1Cl
BDBM13017 NS(=O)(=O)c1ccc2CCNCc2c1
BDBM13018 CS(=O)(=O)c1ccc2CCNCc2c1
BDBM13019 O=S(=O)(c1ccccc1)c1ccc2CCNCc2c1
BDBM13020 C=CCS(=O)(=O)c1ccc2CCNCc2c1
BDBM13021 ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
BDBM13022 NS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13023 NS(=O)(=O)c1ccc2CC(CO)NCc2c1
BDBM13024 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM13025 OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM13026 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM13027 OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM13028 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
BDBM13030 CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13031 CCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13032 COCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13033 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Cc1ccc(Cl)cc1
BDBM13034 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCC(F)(F)F
BDBM13035 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCCC(F)(F)F
BDBM13036 CCS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13037 CCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13038 CCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13039 COCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13040 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CC(F)(F)F
BDBM13041 CS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13029 CNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM14060 Ic1ccc2CCNCc2c1
BDBM14061 Clc1ccc2CCCNCc2c1Cl
BDBM23981 NC1CCc2ccccc2C1
BDBM28422 C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM29135 NCCc1ccc(O)cc1
BDBM50005246 CC(N)Cc1ccccc1
BDBM50009672 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
BDBM50014651 CN1CCc2ccccc2C1
BDBM50018237 C1Cc2ccc3snnc3c2CN1
BDBM50016733 COc1cccc2CCC(N)Cc12
BDBM50023168 CC(N)c1ccc-2c(Cc3ccccc-23)c1
BDBM50023451 OCC1Cc2ccccc2CN1
BDBM50023452 NC(=O)C1Cc2ccccc2CN1
BDBM50023453 OCC1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50023454 OC(=O)C1Cc2ccccc2CN1
BDBM50023169 CC(N)c1ccc(cc1)-c1ccccc1
BDBM50023170 CC(N)c1cccc-2c1Cc1ccccc-21
BDBM50023171 CC(N)c1ccccc1
BDBM50023172 CC(N)c1cccc(c1)-c1ccccc1
BDBM50023455 CCC1Cc2ccccc2CN1
BDBM50023456 COC(=O)C1Cc2ccccc2CN1
BDBM50023304 CC1Cc2ccccc2CN1
BDBM50023305 C1Cc2cccc3CCC[C@@H]1c23
BDBM50023307 NC1CC2C[C@@H]1c1ccccc21 |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
BDBM50023308 C1C2CCN[C@H]1c1ccccc21 |TLB:7:6:0:4.3.2,10:11:0:4.3.2|
BDBM50023309 CC1NCCc2ccccc12
BDBM50023310 C1C[C@H]2NC1Cc1ccccc21 |TLB:7:6:3:1.0,THB:10:11:3:1.0|
BDBM50022781 NC12CCC(CC1)(CC2)c1ccccc1
BDBM50023138 OC1CNCc2ccccc12
BDBM50023139 N[C@H]1CCc2ccccc2[C@@H]1O
BDBM50023311 CC1CNCc2ccccc12
BDBM50023312 C1C[C@H]2NCC1c1ccccc21 |TLB:10:11:3.4:1.0,7:6:3.4:1.0|
BDBM50023313 C1C[C@H]2NC1c1ccccc21 |TLB:6:5:3:0.1,9:10:3:0.1|
BDBM50023314 C1N[C@@H]2CC1c1ccccc21 |THB:6:5:3:1.0,9:10:3:1.0|
BDBM50022721 C[C@@H](N)Cc1ccccc1 |r|
BDBM50022723 C[C@H](N)Cc1ccccc1 |r|
BDBM50020496 COc1ccc2C3CC(N)C(C3)c2c1 |TLB:13:12:11:8.7,THB:4:5:11:8.7,9:8:12.5:11|
BDBM50020497 NC1CC2CC1c1cccc(O)c21 |TLB:7:6:4:1.2,THB:10:12:4:1.2,0:1:6.12:4|
BDBM50020498 COc1cccc2CC(N)CCc12
BDBM50020500 COc1cccc2C3CC(CC3N)c12 |TLB:2:13:8:11.10,THB:12:11:6.13:8,5:6:8:11.10|
BDBM50020502 NCCc1cccc(O)c1
BDBM50020503 NC1CCc2ccc(O)cc2C1
BDBM50020504 NC12CCC(C1)c1ccccc1C2 |TLB:7:6:5:3.2,THB:10:11:5:3.2|
BDBM50020506 NC12CCC(C1)c1c(O)cccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
BDBM50020507 COc1cccc2CC3(N)CCC(C3)c12 |TLB:2:14:13:11.10,THB:5:6:13:11.10|
BDBM50020508 COc1ccc2CC3(N)CCC(C3)c2c1 |TLB:14:13:12:10.9,THB:4:5:12:10.9|
BDBM50020509 COc1ccc2CCC(N)Cc2c1
BDBM50020510 NC1CC2CC1c1ccc(O)cc21 |TLB:7:6:4:1.2,THB:11:12:4:1.2,0:1:6.12:4|
BDBM50020511 NC1CCc2c(O)cccc2C1
BDBM50020512 COc1ccc2CC(N)CCc2c1
BDBM50020513 NC12CCC(C1)c1ccc(O)cc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
BDBM50020489 COc1ccc2C3CCC(N)(C3)Cc2c1 |TLB:4:5:11:7.8,THB:14:13:11:7.8|
BDBM50020490 NC12CCC(C1)c1cc(O)ccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
BDBM50020491 NC1CC2CC1c1ccccc21 |TLB:0:1:6.11:4,THB:10:11:4:1.2|
BDBM50020492 COc1cccc2C3CC(N)C(C3)c12 |TLB:2:13:12:9.8,THB:10:9:12:13.6,5:6:12:9.8|
BDBM50020493 NC1CCc2cc(O)ccc2C1
BDBM50020495 NC1CCc2cccc(O)c2C1
BDBM50024821 N[C@@H]1C2CCC1c1c(C2)cccc1C(F)(F)F |TLB:12:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
BDBM50024822 Oc1ccc2CNCCc2c1
BDBM50024823 COc1cccc2C3CCC([C@H]3N)c12 |TLB:2:13:11:9.8,12:11:6.13:9.8|
BDBM50024824 Oc1cccc2CNCCc12
BDBM50024825 COc1cccc2CCNCc12
BDBM50024826 Oc1ccc2CCNCc2c1
BDBM50024829 COc1ccc2C3CCC([C@H]3N)c2c1 |TLB:13:12:10:8.7,11:10:12.5:8.7|
BDBM50024830 N[C@@H]1CC2CC1c1cccc(O)c21 |TLB:0:1:6.12:4,THB:10:12:4:1.2,7:6:4:1.2|
BDBM50024831 Oc1cc2CCNCc2cc1O
BDBM50024832 COc1cccc2C3C[C@@H](N)C(C3)c12 |TLB:10:9:12:13.6,THB:2:13:12:9.8,5:6:12:9.8|
BDBM50024834 COc1ccc2C3C[C@@H](N)C(C3)c2c1 |TLB:9:8:12.5:11,THB:4:5:11:8.7,13:12:11:8.7|
BDBM50024835 COc1cccc2CNCCc12
BDBM50025229 N[C@@H]1C2CCC1c1c2cccc1O |TLB:11:6:1:4.3,0:1:7.6:4.3,8:7:1:4.3|
BDBM50025230 N[C@@H]1C2CCC1c1cc(O)ccc21 |TLB:11:12:1:4.3,7:6:1:4.3,0:1:6.12:4.3|
BDBM50024836 Oc1cccc2CCNCc12
BDBM50024837 COc1cccc2C3CC(C[C@H]3N)c12 |TLB:2:13:8:11.10,12:11:6.13:8,5:6:8:11.10|
BDBM50024838 N[C@H]1C2CCC1c1c2cccc1O |TLB:0:1:7.6:4.3,THB:11:6:1:4.3|
BDBM50024839 N[C@@H]1CC2CC1c1ccc(O)cc21 |TLB:0:1:6.12:4,THB:7:6:4:1.2,11:12:4:1.2|
BDBM50024840 COc1ccc2CCNCc2c1
BDBM50024841 COc1ccc2CNCCc2c1
BDBM50024842 N[C@H]1C2CCC1c1cc(O)ccc21 |TLB:0:1:6.12:4.3,THB:7:6:1:4.3|
BDBM50024843 N[C@@H]1CC2CC1c1cc(O)c(O)cc21 |TLB:0:1:6.13:4,THB:7:6:4:1.2,12:13:4:1.2|
BDBM50024808 N[C@H]1C2CCC1c1cccc(c1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:10:11:1:4.3,0:1:11.6.12:4.3|
BDBM50024810 N[C@H]1C2CCC1c1c2cccc1C(F)(F)F |THB:11:6:1:4.3,8:7:1:4.3|
BDBM50024811 N[C@@H]1CC2CC1c1c2cccc1C(F)(F)F |TLB:0:1:6.7:4,THB:11:6:4:1.2,8:7:4:1.2|
BDBM50024812 N[C@H]1C2CCC1c1c(C2)cccc1C(F)(F)F |TLB:12:6:1:4.3,THB:0:1:6.7.8:4.3,9:7:1:4.3|
BDBM50024813 NC1C2CC[C@H]1c1ccccc21 |TLB:0:1:6.11:3.4,7:6:1:3.4,10:11:1:3.4|
BDBM50024814 N[C@@H]1CC2CCC1c1ccccc21 |TLB:0:1:7.12:5.4,THB:8:7:1.2:5.4,11:12:1.2:5.4|
BDBM50024815 N[C@@H]1C2CCC1c1ccccc1C2 |TLB:0:1:6.11.12:4.3,7:6:1:4.3,THB:10:11:1:4.3|
BDBM50024816 N[C@@H]1C2CCC1c1cc(ccc1C2)C(F)(F)F |TLB:0:1:6.11.12:4.3,7:6:1:4.3,THB:10:11:1:4.3|
BDBM50024817 N[C@H]1C2CCC1c1cc(ccc1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:0:1:6.11.12:4.3,10:11:1:4.3|
BDBM50024818 N[C@H]1C2CCC1c1ccc(cc1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:0:1:11.6.12:4.3,10:11:1:4.3|
BDBM50024819 N[C@H]1C2CCC1c1ccccc1C2 |TLB:7:6:1:4.3,THB:0:1:6.11.12:4.3,10:11:1:4.3|
BDBM50024820 N[C@@H]1CC2CC1c1cc(ccc21)C(F)(F)F |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
BDBM50028836 NCC(O)C1=C/CCCCCC\1 |t:4|
BDBM50028837 CCCCC=O
BDBM50028838 C[Si](C)(C)OC1(CCCCCCCC1)C#N
BDBM50028839 CCCCCC(O[Si](C)(C)C)C#N
BDBM50028840 CCCCCCCC(O[Si](C)(C)C)C#N
BDBM50028841 CC(C)CC(O)CN
BDBM50028842 CCCCCC(C)=O
BDBM50028843 CCC(CC)C=O
BDBM50028844 CCC(CC)C(O)CN
BDBM50028845 O=CC1CCC1
BDBM50028846 O=CC1CCCCCCCCCC1
BDBM50028847 NCC1(O)CCCC1
BDBM50028848 CCCCCCC(O[Si](C)(C)C)C#N
BDBM50028849 CCC(C)C(C)C(O[Si](C)(C)C)C#N
BDBM50028850 NCC(O)C12CC3CC(CC(C3)C1)C2 |TLB:7:8:12:5.6.11,THB:7:6:12:13.8.9,9:8:5:12.10.11,9:10:5:13.8.7|
BDBM50028851 O=C1CCCCCCCC1
BDBM50028852 NCC(O)C1CCC1
BDBM50029099 Clc1cc(Cl)c2CCNCc2c1Cl
BDBM50029100 CC(N)Cc1ccc(Cl)cc1
BDBM50029101 Clc1c(Cl)c(Cl)c2CNCCc2c1Cl
BDBM50029102 Clc1ccc2CCNCc2c1
BDBM50029103 CC(N)Cc1cccc(Cl)c1
BDBM50029104 NCc1ccccc1Cl
BDBM50028782 NCC(O)C1CC2CC1C=C2 |c:10,TLB:2:4:9.10:7|
BDBM50028783 NCC(O)C1CCCCCCC1
BDBM50028785 NCC(O)C1CCCCC1
BDBM50028786 NCC(O)C1CC2CCC1C2 |THB:2:4:10:8.7|
BDBM50028787 NCC(O)C12CCC(CC1)C2
BDBM50029105 NCCc1ccc(Cl)c(Cl)c1
BDBM50029106 NCc1cccc(Cl)c1Cl
BDBM50029107 Clc1cccc2CCNCc12
BDBM50029108 Clc1cc2CCNCc2c(Cl)c1Cl
BDBM50028788 CC(C)CC(O[Si](C)(C)C)C#N
BDBM50028789 C[Si](C)(C)OC1(CCCCCC1)C#N
BDBM50028790 CCCCCC(C)(O)CN
BDBM50028791 CCC(C)C(C)C=O
BDBM50028792 O=CC1CCCC1
BDBM50028627 NCCC1CCCCC1
BDBM50028628 C[C@@H](N)c1ccccc1 |r|
BDBM50028629 C[C@@H](N)CC1CCCCCCC1
BDBM50028793 O=C1CCCCCCC1
BDBM50028794 NCC(O)C1CCCCCCCCCC1
BDBM50028795 NCC(O)C1=C/CC\C=C/CC\1 |c:8,t:4|
BDBM50028796 CCCCC(O[Si](C)(C)C)C#N
BDBM50028797 NCC(O)/C1=C/C=C\C=C/C=C\1 |c:6,8,10,t:4|
BDBM50028901 CCN1CCc2ccc(Cl)c(Cl)c2C1
BDBM50028902 Clc1ccc2CCN(CCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028630 C[C@H](N)CC1CCCCC1
BDBM50028631 C[C@@H](N)C1CCCCC1
BDBM50028632 CC(N)CC1CCCCCCC1
BDBM50028633 C[C@H](N)CC1CCCCCCC1
BDBM50028634 CC(N)CC1CCC=CC1 |c:7|
BDBM50028798 C[Si](C)(C)OC1(CCCCCCC1)C#N
BDBM50028799 CCCCCCC(O)CN
BDBM50028800 NCC1(O)CCCCCCCC1
BDBM50028801 O=CC1CCCCCCCC1
BDBM50028903 Clc1ccc2CCN(CCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028904 Clc1ccc2CCN(CCCCCCBr)Cc2c1Cl
BDBM50028905 Clc1ccc2CCN(CCCCCCc3ccccc3)Cc2c1Cl
BDBM50028635 CC(N)CC1CCCCC1
BDBM50028636 C[C@@H](N)CC1CCCCC1
BDBM50028637 C[C@H](N)C1CCCCC1
BDBM50028638 C[C@H](N)c1ccccc1 |r|
BDBM50028639 CC(N)Cc1cccc(c1)-c1ccccc1
BDBM50028802 C[Si](C)(C)OC(C#N)C1CCCCCC1
BDBM50028803 CCCCC(O)CN
BDBM50028804 NCC1(O)CCCCCC1
BDBM50028805 NCC(O)C1CCCCCC1
BDBM50028806 CCC(CC)C(O[Si](C)(C)C)C#N
BDBM50028906 Clc1ccc2CCN(CCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028907 OCCCCCCN1CCc2ccc(Cl)c(Cl)c2C1
BDBM50028908 Clc1ccc2CCN(CCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028640 CC(N)Cc1ccc(cc1)-c1ccccc1
BDBM50028642 CCCC(N)Cc1ccccc1
BDBM50028807 CCC(C)C(C)C(O)CN
BDBM50028808 C[Si](C)(C)OC(C#N)C1CCCCCCCC1
BDBM50028809 C[Si](C)(C)OC1(CCCCCCCCCC1)C#N
BDBM50028810 CCCCCCC(C)(O)CN
BDBM50028909 NCCN1CCc2ccc(Cl)c(Cl)c2C1
BDBM50028910 Clc1ccc2CCN(CCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028643 NC(CO)CC1CCCCC1
BDBM50028644 NC(CO)Cc1ccccc1
BDBM50028645 NC(Cc1ccccc1)Cc1ccccc1
BDBM50028646 CCCC(N)c1ccccc1
BDBM50028647 NC(CO)c1ccccc1
BDBM50028811 C[Si](C)(C)OC(C#N)C12CC3CC(CC(C3)C1)C2 |TLB:15:10:17:16.14.13,15:14:17:9.10.11,THB:13:12:9:16.14.15,13:14:9:17.12.11|
BDBM50028812 O=CC1CCCCCC1
BDBM50028813 CCCCCCCC(O)CN
BDBM50028814 NCC(O)C1CCCCCCCC1
BDBM50028815 CCCCCCC(C)=O
BDBM50028911 Clc1ccc2CCN(CCCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028912 Clc1ccc2CCN(Cc3ccccc3)Cc2c1Cl
BDBM50028648 NC(CC1CCCCC1)c1ccccc1
BDBM50028649 CCC(N)Cc1ccccc1
BDBM50028651 NCC1(O)CCCCCCCCCC1
BDBM50028816 NCC(O)/C1=C/CCCC/C=C\1 |c:10,t:4|
BDBM50028817 CCCCCCCC=O
BDBM50028818 C[Si](C)(C)OC(C#N)C1CCCC1
BDBM50028819 C[Si](C)(C)OC1(CCCCC1)C#N
BDBM50028820 C[Si](C)(C)OC(C#N)C1CCC1
BDBM50028913 CCCN1CCc2ccc(Cl)c(Cl)c2C1
BDBM50028914 Clc1ccc2CCN(CCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
BDBM50028821 CCCCCC(O)CN
BDBM50028822 CCCCCC(C)(O[Si](C)(C)C)C#N
BDBM50028823 O=CC12CC3CC(CC(C3)C1)C2 |TLB:1:2:4.5.9:7,THB:3:2:4.5.9:7,3:4:2.11.10:7,10:2:5:8.9.7,10:8:2.11.3:5|
BDBM50028824 CCCCCC=O
BDBM50028825 NCC(O)C1CCCC1
BDBM50028826 CCCCCCC(C)(O[Si](C)(C)C)C#N
BDBM50028827 C[Si](C)(C)OC1(CCCC1)C#N
BDBM50028828 NCC(O)C1CCC=CC1 |c:7|
BDBM50028829 CCCCCCC=O
BDBM50028830 O=C1CCCC1
BDBM50028831 O=C1CCCCCC1
BDBM50028832 CC(C)CC=O
BDBM50028833 NCC1(O)CCCCC1
BDBM50028834 NCC1(O)CCCCCCC1
BDBM50028835 C[Si](C)(C)OC(C#N)C1CCCCCCCCCC1
BDBM50026331 NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)ncnc12)C(O)=O
BDBM50026333 NC(CCSCC1CC(C(O)C1O)n1cnc2c(N)nccc12)C(O)=O
BDBM50026782 COc1ccc(OC)c2CNCCc12
BDBM50052883 C1CNCc2ccccc2C1
BDBM50052884 C[C@H]1Cc2ccccc2CN1
BDBM50052885 C[C@@H]1Cc2ccccc2CN1
BDBM50052886 C1CSc2ccccc2CN1
BDBM50052887 C1NCc2ccccc12
BDBM50052888 C1CNc2ccccc2CN1
BDBM50052889 C1CCc2ccccc2CNC1
BDBM50052890 C1COc2ccccc2CN1
BDBM50061309 CS(=O)(=O)Nc1ccc2CCNCc2c1
BDBM50061310 Clc1ccc(NS(=O)(=O)c2ccc3CCNCc3c2)cc1
BDBM50061311 NCc1cccc2ccccc12
BDBM50061312 COc1ccc2c(CN)cccc2c1
BDBM50061313 CNS(=O)(=O)c1ccc2CCNCc2c1
BDBM50061314 COc1ccc2c3CNCCc3ccc2c1
BDBM50061315 NCc1cccc2cc(O)ccc12
BDBM50061316 CS(=O)(=O)N(c1ccc2CCNCc2c1)S(C)(=O)=O
BDBM50061317 CS(=O)(=O)NCc1ccc2CCNCc2c1
BDBM50061318 Oc1ccc2c3CNCCc3ccc2c1
BDBM50072974 OCc1ccc2CCNCc2c1
BDBM50072975 CS(=O)c1ccc2CCNCc2c1
BDBM50072976 [NH3+]Cc1ccc2CCNCc2c1
BDBM50072977 Brc1ccc2CCNCc2c1
BDBM50072978 COC(=O)c1ccc2CCNCc2c1
BDBM50072979 FC(F)(F)c1ccc2CCNCc2c1
BDBM50072980 Nc1ccc2CCNCc2c1
BDBM50072981 Cc1ccc2CCNCc2c1
BDBM50072982 O=C(c1ccccc1)c1ccc2CCNCc2c1
BDBM50072983 [O-]C(=O)c1ccc2CCNCc2c1
BDBM50072984 C(c1ccccc1)c1ccc2CCNCc2c1
BDBM50072985 CC(=O)c1ccc2CCNCc2c1
BDBM50072986 CSc1ccc2CCNCc2c1
BDBM50072987 FC(F)(F)C(=O)c1ccc2CCNCc2c1
BDBM50072988 CC(=O)Nc1ccc2CCNCc2c1
BDBM50072989 N#Cc1ccc2CCNCc2c1
BDBM50072990 NC(=O)c1ccc2CCNCc2c1
BDBM50072991 [O-][N+](=O)c1ccc2CCNCc2c1
BDBM50079899 FC(F)(F)C1Cc2ccc(cc2CN1)C#N
BDBM50079900 [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50079901 CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50079902 FC(F)(F)C1Cc2ccc(Br)cc2CN1
BDBM50079903 COc1ccc2c3CCN=Cc3[nH]c2c1 |c:9|
BDBM50079904 FC(F)(F)C1Cc2ccccc2CN1
BDBM50077535 CS(=O)(=O)c1ccc2CC(CO)NCc2c1
BDBM50077536 OC[C@@H]1Cc2ccccc2CN1
BDBM50077537 OCC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077538 C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077539 OC[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077540 OC[C@H]1Cc2ccccc2CN1
BDBM50077541 OC[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077542 COCC1Cc2ccccc2CN1
BDBM50077543 CC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50077544 C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50081952 OC[C@H]1Cc2ccc(Br)cc2CN1
BDBM50081953 OC[C@@H]1Cc2ccc(Br)cc2CN1
BDBM50081954 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50081955 FC[C@@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50081956 FC[C@H]1Cc2ccc(cc2CN1)C#N
BDBM50081957 FC[C@H]1Cc2ccc(Br)cc2CN1
BDBM50081958 ClC[C@@H]1Cc2ccccc2CN1
BDBM50081959 FC[C@@H]1Cc2ccc(cc2CN1)C#N
BDBM50081960 [O-][N+](=O)c1ccc2C[C@H](CCl)NCc2c1
BDBM50081961 [O-][N+](=O)c1ccc2C[C@@H](CCl)NCc2c1
BDBM50081962 FC[C@@H]1Cc2ccccc2CN1
BDBM50081963 FC[C@@H]1Cc2ccc(Br)cc2CN1
BDBM50081964 ClC[C@H]1Cc2ccccc2CN1
BDBM50081965 [O-][N+](=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50081966 FC[C@H]1Cc2ccccc2CN1
BDBM50081951 [O-][N+](=O)c1ccc2C[C@@H](CF)NCc2c1
BDBM50080515 FCC1Cc2ccc(Br)cc2CN1
BDBM50080516 FCC1Cc2ccc(cc2CN1)N=C=S
BDBM50080517 FCC1Cc2ccccc2CN1
BDBM50080518 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1
BDBM50080519 FCC1Cc2ccc(cc2CN1)C(F)(F)F
BDBM50080520 FCC1Cc2ccc(I)cc2CN1
BDBM50080521 [O-][N+](=O)c1ccc2CC(CF)NCc2c1
BDBM50080522 FCC1Cc2ccc(cc2CN1)C#N
BDBM50080523 FCC1Cc2ccc(cc2CN1)N=[N+]=[N-]
BDBM50100949 OCC1Cc2ccc(Br)cc2CN1
BDBM50100950 NCc1cccc-2c1Cc1ccccc-21
BDBM50100951 NC12CCC(CC1)(CC2)C1CCCCC1
BDBM50100952 CC(N)c1cccc(Cl)c1Cl
BDBM50100953 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Br)cc1
BDBM50100954 NC1C2CCC1c1c2cccc1C(F)(F)F |TLB:0:1:6.7:4.3,8:7:1:4.3,THB:11:6:1:4.3|
BDBM50100955 ClCC1Cc2ccccc2CN1
BDBM50100956 NCc1ccc-2c(Cc3ccccc-23)c1
BDBM50102893 FC1CNCc2cc(ccc2C1)C#N
BDBM50102894 FC1CNCc2cc(Br)ccc2C1
BDBM50102895 [O-][N+](=O)c1ccc2CC(F)CNCc2c1
BDBM50102896 [O-][N+](=O)c1ccc2C(CF)CNCc2c1
BDBM50102897 OC1CNCc2cc(ccc2C1)[N+]([O-])=O
BDBM50102898 FC1CNCc2ccccc2C1
BDBM50151344 CCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM50151327 Oc1ccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)cc1
BDBM50151328 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc2ccccc2c1
BDBM50151329 FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCCCC1
BDBM50151330 [O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)cc1
BDBM50151332 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCCC(F)(F)F
BDBM50151333 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCc1ccccc1
BDBM50151334 CCOCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM50151335 [O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3CC(CF)NCc3c2)c1
BDBM50151336 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(F)cc1
BDBM50151337 FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCOCC1
BDBM50151338 CCOCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM50151339 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCCCc1ccccc1
BDBM50151340 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NC1CCc2ccccc2C1
BDBM50151341 COCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM50151342 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:18.17.19,23:18:25:22.24.21,THB:21:20:17:22.24.23,21:22:17:20.25.19|
BDBM50151343 FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
BDBM50151345 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1cccc(Cl)c1
BDBM50151331 CC(C)NS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13016 C1Cc2ccccc2CN1
BDBM50158758 OCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
BDBM50158757 CCCNS(=O)(=O)c1ccc2CC(CO)NCc2c1
BDBM50163104 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM50160902 OCCC1Cc2ccc(Br)cc2CN1
BDBM50160903 OCCCC1Cc2ccc(Br)cc2CN1
BDBM50160904 OCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50160905 OCCCC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50160906 [O-][N+](=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50163106 COCCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163105 CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163108 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
BDBM50163107 CCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163109 NS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163110 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
BDBM50174114 CC(C)C1Cc2ccc(Br)cc2CN1
BDBM50174115 [O-][N+](=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
BDBM50174116 FC(F)(F)[C@@H]1Cc2ccc(cc2CN1)C(F)(F)F
BDBM50174117 CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50174118 CC(C)C1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50174119 CCC1Cc2ccc(cc2CN1)[N+]([O-])=O
BDBM50174120 FC(F)(F)[C@H]1Cc2ccc(Cl)cc2CN1
BDBM50174121 CC1Cc2ccc(Br)cc2CN1
BDBM50174122 NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50174123 FC(F)(F)[C@H]1Cc2ccc(I)cc2CN1
BDBM50174124 FC(F)(F)C1Cc2ccc(Cl)cc2CN1
BDBM50174125 FC(F)(F)C1Cc2ccc(I)cc2CN1
BDBM50174126 FC(F)(F)[C@H]1Cc2ccc(cc2CN1)C(F)(F)F
BDBM50174127 CCC1Cc2ccc(Br)cc2CN1
BDBM50174128 FC(F)(F)[C@@H]1Cc2ccc(I)cc2CN1
BDBM50174129 FC(F)(F)C1Cc2ccc(cc2CN1)C(F)(F)F
BDBM50174130 [O-][N+](=O)c1ccc2C[C@@H](NCc2c1)C(F)(F)F
BDBM50174131 FC(F)(F)[C@@H]1Cc2ccc(Cl)cc2CN1
BDBM50176887 NCC(O)c1ccc(Cl)c(Cl)c1
BDBM50176888 NCC(O)c1cccc(c1)C(F)(F)F
BDBM50176889 NC1C2CCC1c1cc(ccc21)C(F)(F)F |TLB:7:6:1:4.3,0:1:6.11:4.3|
BDBM50176890 CC(N)Cc1ccc(Cl)c(Cl)c1
BDBM50186667 FC(F)(F)CNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50186668 FC(F)C1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50186669 [O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(NCc3c2)C(F)F)cc1
BDBM50186670 FC(F)C1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM50186671 FC(F)C1Cc2ccc(cc2CN1)C#N
BDBM50186672 [O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc3CC(NCc3c2)C(F)(F)F)cc1
BDBM50186673 FC(F)C1Cc2ccccc2CN1
BDBM50186674 CCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186675 FC(F)(F)C1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50186676 FC(F)C1Cc2ccc(Br)cc2CN1
BDBM50186677 NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186678 FC(F)C1Cc2ccc(cc2CN1)C(F)(F)F
BDBM50186679 CCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186680 CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186681 COCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186682 FC(F)C1Cc2ccc(I)cc2CN1
BDBM50186683 CS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
BDBM50186684 COCCCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
BDBM50199506 N#Cc1cccc2c3CNCCc3ccc12
BDBM50199507 NS(=O)(=O)c1cccc2c3CNCCc3ccc12
BDBM50199508 Brc1cccc2c3CNCCc3ccc12
BDBM50199509 COc1cccc2c3CNCCc3ccc12
BDBM50199511 [O-][N+](=O)c1cccc2c3CNCCc3ccc12
BDBM50199512 Oc1cccc2c3CNCCc3ccc12
BDBM50227498 C[C@@H]1Cc2sc(cc2CN1)[N+]([O-])=O
BDBM50227499 C[C@H]1Cc2sc(cc2CN1)[N+]([O-])=O
BDBM50227500 FC(F)(F)C1CC2SC=CC2CN1 |w:6.5,10.11,4.3,c:8|
BDBM50227501 NCc1cccs1
BDBM50227502 BrC1=CC2CNCCC2S1 |w:8.9,3.3,t:1|
BDBM50227503 CC1Cc2sc3ccccc3c2CN1
BDBM50227504 FC(F)(F)C1Cc2sc3ccccc3c2CN1 |w:4.3|
BDBM50227505 C[C@H]1Cc2sc(cc2CN1)C#N
BDBM50227506 CC(=O)c1cc2CNCCc2s1
BDBM50227507 FC(F)(F)C1Cc2sc(Br)cc2CN1 |w:4.3|
BDBM50227508 C[C@@H]1Cc2sc(cc2CN1)C#N
BDBM50227509 NCc1ccsc1
BDBM50227510 NC(=O)c1cc2CNCCc2s1
BDBM50227511 N#Cc1cc2CNCCc2s1
BDBM50227512 [O-][N+](=O)C1=CC2CNCCC2S1 |w:10.9,5.5,t:3|
BDBM50227513 NCCc1cccs1
BDBM50227514 CC1CC2SC=CC2CN1 |w:3.3,7.8,1.0,c:5|
BDBM50227515 Cc1cc2CNCCc2s1
BDBM50227516 C1Cc2sccc2CN1
BDBM50227517 CC1Cc2sc(Br)cc2CN1 |w:1.0|
BDBM50240933 CCNS(=O)(=O)c1ccc2CC(CO)NCc2c1
BDBM50240934 OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
BDBM50294573 NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50276413 S=C=Nc1ccc2CCNCc2c1
BDBM50367282 N[C@@H]1CC2C[C@@H]1c1ccccc21 |TLB:0:1:6.11:4,THB:7:6:4:1.2,10:11:4:1.2|
BDBM50367283 N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
BDBM50367284 N[C@@H]1CC2CC1c1cc(O)ccc21 |TLB:0:1:6.12:4,THB:11:12:4:1.2,7:6:4:1.2|
BDBM50367056 N[C@@H](CO)CC1CCCCC1 |r|
BDBM50367057 N[C@@H](CO)Cc1ccccc1 |r|
BDBM50367058 N[C@H](CO)Cc1ccccc1 |r|
BDBM50367059 N[C@@H](CO)c1ccccc1 |r|
BDBM50367060 N[C@H](CO)CC1CCCCC1 |r|
BDBM50366988 NCC(O)C12CCC(C1)C=C2 |c:10|
BDBM50366990 NCC(O)[C@@]12CC3C[C@@H](C[C@H](C3)C1)C2 |r,TLB:7:8:11.6.5:12,THB:7:6:13.8.9:12|
BDBM50367450 COc1ccc2C3CC(C[C@H]3N)c2c1 |TLB:4:5:7:10.9,13:12:7:10.9,11:10:5.12:7|
BDBM50367603 C[C@@H](N)[C@H](O)c1ccccc1
BDBM50405613 C[C@@H](N)[C@@H](O)c1ccccc1
BDBM50405614 N[C@H]1CCc2ccccc2C1 |r|
BDBM50405615 C[C@H](N)[C@@H](O)c1ccccc1
BDBM50405616 N[C@@H]1CCc2ccccc2C1 |r|
BDBM50405612 N[C@@H]1CCc2ccccc2[C@@H]1O |r|
BDBM50404749 NC[C@]1(O)CCC2CCCCC2C1 |r|
BDBM50404750 NC[C@@]1(O)CCC2CCCCC2C1 |r|
BDBM50217345 C[C@H]1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50217384 Brc1ccc2CCCNCc2c1
BDBM50217341 CSc1ccc2CCCNCc2c1
BDBM50217386 CS(=O)(=O)c1ccc2CCCNCc2c1
BDBM50217340 C[C@@H]1Cc2ccc(Cl)c(Cl)c2CN1
BDBM50217343 COC(=O)Nc1ccc2CCNCc2c1
BDBM50217346 C[C@@H](N)c1ccc(Cl)c(Cl)c1
BDBM50217382 OC(=O)c1ccc2CCNCc2c1
BDBM50217389 C[C@@H]1CCc2ccc(Cl)c(Cl)c2CN1
BDBM50217339 Nc1ccc2CCCNCc2c1
BDBM50217387 [O-][N+](=O)c1ccc2CCCCNCc2c1
BDBM50217344 C[C@H](N)c1ccc(Cl)c(Cl)c1
BDBM50217342 NS(=O)(=O)c1ccc2CCCNCc2c1
BDBM50217380 [O-][N+](=O)c1cc2CNCCc2c(c1)[N+]([O-])=O
BDBM50217381 C[C@H]1CCc2ccc(Cl)c(Cl)c2CN1
BDBM50217385 C[C@H]1Cc2sc3ccccc3c2CN1
BDBM50217383 [O-][N+](=O)c1ccc2CCCNCc2c1
BDBM50217388 CN1CCCCc2ccccc2C1
BDBM50217390 NCc1ccc2CCNCc2c1
BDBM50217391 [O-][N+](=O)c1cc2CNCCCc2c(c1)[N+]([O-])=O
BDBM50217392 NS(=O)(=O)c1ccc2C[C@H](NCc2c1)C(F)(F)F
BDBM50506000 N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
BDBM50554680 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
BDBM50554681 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554682 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)C2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
BDBM50554683 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|
BDBM50554684 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554685 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554686 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2CNCc3ccccc23)[C@@H](O)[C@H]1O |r|
BDBM50554687 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554688 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNC(=O)C2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554689 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554690 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554691 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554692 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(Cl)cc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554693 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|
BDBM50554694 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r|
BDBM50554695 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNCC2Cc3ccc(cc3CN2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|