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192 SMILES Strings for Myeloperoxidase (MPO)

Compound NameSMILES String
BDBM50008382 [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM17636 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
BDBM30853 NCCc1c[nH]c2ccc(F)cc12
BDBM55880 Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
BDBM81461 NNc1nncc2ccccc12
BDBM94407 C1COc2n(C1)nc1ccccc21
BDBM92466 CC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
BDBM92467 Fc1ccc(Cn2c3nc[nH]c3c(=O)[nH]c2=S)cc1
BDBM92468 O=c1[nH]c(=S)n(CC2CCCO2)c2nc[nH]c12
BDBM92469 O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 |r|
BDBM92470 COCCn1c2nc[nH]c2c(=O)[nH]c1=S
BDBM95711 C(N=Nc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12 |w:2.2|
BDBM119872 CCOC(C)Cn1c2nc[nH]c2c(=O)[nH]c1=S
BDBM119873 CCO[C@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
BDBM119874 CCO[C@@H](C)Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
BDBM50002435 COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1
BDBM50008371 CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](N)Cc1cccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50008373 CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50008381 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50008383 CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50015089 ONC(=O)c1ccccc1O
BDBM50024210 NCCc1c[nH]c2ccccc12
BDBM50056999 CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
BDBM50125096 C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50162708 CN(C)CCCc1c[nH]c2ccc(F)cc12
BDBM50336507 NNC(=O)c1ccncc1
BDBM50332578 CN(C)CCc1c[nH]c2ccc(F)cc12
BDBM50332579 CCN(CC)CCc1c[nH]c2ccc(F)cc12
BDBM50332580 Fc1ccc2[nH]cc(CCN3CCCC3)c2c1
BDBM50332581 CN1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
BDBM50332582 NCCCc1c[nH]c2ccc(F)cc12
BDBM50332583 CNCCCc1c[nH]c2ccc(F)cc12
BDBM50332584 CCNCCCc1c[nH]c2ccc(F)cc12
BDBM50332585 CCCNCCCc1c[nH]c2ccc(F)cc12
BDBM50332586 CCCCNCCCc1c[nH]c2ccc(F)cc12
BDBM50332587 CCN(CC)CCCc1c[nH]c2ccc(F)cc12
BDBM50332588 Fc1ccc2[nH]cc(CCCN3CCCC3)c2c1
BDBM50332589 NCCCCc1c[nH]c2ccc(F)cc12
BDBM50332590 NCCCCCc1c[nH]c2ccc(F)cc12
BDBM50332569 NCCCCCCc1c[nH]c2ccc(F)cc12
BDBM50332570 CN1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
BDBM50332571 NCc1c[nH]c2ccc(F)cc12
BDBM50332572 CCN(CC)Cc1c[nH]c2ccc(F)cc12
BDBM50332573 CN1CCN(Cc2c[nH]c3ccc(F)cc23)CC1
BDBM50332574 CNCCc1c[nH]c2ccc(F)cc12
BDBM50332575 CCNCCc1c[nH]c2ccc(F)cc12
BDBM50332576 CCCNCCc1c[nH]c2ccc(F)cc12
BDBM50332577 CCCCNCCc1c[nH]c2ccc(F)cc12
BDBM50349829 CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:30|
BDBM50371730 OC(=O)\C=C\C(=O)Nc1ccc(C(O)=O)c(Nc2cccc(c2)C(F)(F)F)c1
BDBM50371731 OC(=O)c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[N+]([O-])=O
BDBM50371732 OC(=O)c1cc(F)ccc1Nc1cccc(c1)C(F)(F)F
BDBM50371733 NCCCC(=O)Nc1ccc(C(O)=O)c(Nc2cccc(c2)C(F)(F)F)c1
BDBM50371734 OCCCC(=O)Nc1ccc(C(O)=O)c(Nc2cccc(c2)C(F)(F)F)c1
BDBM50371735 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1Nc1cccc(c1)C(F)(F)F
BDBM50371736 CC(=O)Nc1ccc(C(O)=O)c(Nc2cccc(c2)C(F)(F)F)c1
BDBM50371737 OC(=O)c1cc(Br)ccc1Nc1cccc(c1)C(F)(F)F
BDBM50371738 OC(=O)c1cc(Cl)ccc1Nc1cccc(c1)C(F)(F)F
BDBM50371739 OC(=O)c1cccc(Nc2cccc(c2)C(F)(F)F)c1C(O)=O
BDBM50396405 CCC1=CCCc2cc(OC)ccc12 |t:2|
BDBM50396406 CC(C)CN1C(=S)N=C2N=CN=C2C1=O |c:9,11,t:7|
BDBM50396407 NNC(=O)c1ccc(N)cc1
BDBM50396408 COc1cc(OC)c(cc1OC)C1NC(N)=Nc2nc3ccccc3n12 |c:16|
BDBM50396409 Cn1c2nc(NCCN)n(CCCOc3ccccc3)c2c(=O)[nH]c1=O
BDBM50396411 COc1ccccc1N1CCN(CC1)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
BDBM50396412 COc1cc(ccc1OCC(O)=O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
BDBM50396413 COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1
BDBM50396414 Oc1ccccc1CN1CCCN(Cc2ccccc2O)C1
BDBM50396415 NC1=Nc2nc3ccccc3n2C(N1)c1ccc(OCC(O)=O)cc1 |t:1|
BDBM50432565 NC(=O)CCCc1c[nH]c2ccc(F)cc12
BDBM50432566 Fc1ccc2[nH]cc(CCCC#N)c2c1
BDBM50432567 NCC(N)CCc1c[nH]c2ccc(F)cc12
BDBM50432568 Fc1ccc2[nH]cc(CCCSC#N)c2c1
BDBM50432569 ONCCCc1c[nH]c2ccc(F)cc12
BDBM50432570 CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
BDBM50432571 CCN(CCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O
BDBM50432572 NCCSCCCc1c[nH]c2c(F)cccc12
BDBM50432573 NCCSCCc1c[nH]c2c(F)cccc12
BDBM50432574 NCCSCCCc1c[nH]c2ccc(F)cc12
BDBM50432575 NCCSCCc1c[nH]c2ccc(F)cc12
BDBM50432576 OCCNCCCc1c[nH]c2ccc(F)cc12
BDBM50432577 OCCNCCc1c[nH]c2ccc(F)cc12
BDBM50432578 Fc1ccc2[nH]cc(CCCNCc3ccccc3)c2c1
BDBM50432579 Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3)c2c1
BDBM50432580 NCCCCc1c[nH]c2c(F)cccc12
BDBM50432581 NCCCc1c[nH]c2c(F)cccc12
BDBM50432582 NCCc1c[nH]c2c(F)cccc12
BDBM50432583 CCNC(=O)CCCc1c[nH]c2ccc(F)cc12
BDBM50432584 CNC(=O)CCCc1c[nH]c2ccc(F)cc12
BDBM50432585 NC(=O)CCCCc1c[nH]c2c(F)cccc12
BDBM50432586 NC(=O)CCCCc1c[nH]c2ccc(F)cc12
BDBM50432587 NC(=O)CCc1c[nH]c2ccc(F)cc12
BDBM50432588 NC(=O)CCCc1c[nH]c2c(F)cccc12
BDBM50432589 NC(=O)CCc1c[nH]c2c(F)cccc12
BDBM50432590 CCCc1c[nH]c2ccc(F)cc12
BDBM50432591 CCSCCCc1c[nH]c2ccc(F)cc12
BDBM50432592 CCSCCc1c[nH]c2ccc(F)cc12
BDBM50448070 CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 |r,t:22,30|
BDBM50448071 CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 |r,t:22,30|
BDBM50448072 CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:32|
BDBM50444748 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
BDBM50035200 C1Oc2cc3nn4CCCSc4c3cc2O1
BDBM50035201 C1CSc2n(C1)nc1ccccc21
BDBM50035203 C1Cn2nc3cc4OCOc4cc3c2S1
BDBM50035214 C1Cn2nc3ccccc3c2S1
BDBM50035215 C1Oc2cc3nn4CCCOc4c3cc2O1
BDBM50035216 C1Oc2n(nc3ccccc23)-c2ccccc12
BDBM50035217 CC1(C)COc2n1nc1ccccc21
BDBM50035219 CC1COc2n1nc1ccccc21
BDBM50035220 CC(CBr)n1n(CC(=O)N2CCOCC2)c2ccccc2c1=O
BDBM50035221 CC(CCl)n1n(c2ccccc2c1=O)S(C)(=O)=O
BDBM50035222 CC(COC(C)=O)n1n(C(C)=O)c2ccccc2c1=O
BDBM50035224 CC(C)n1n(C(C)=O)c2ccccc2c1=O
BDBM50035225 CC(C)n1n(c2ccccc2c1=O)S(C)(=O)=O
BDBM50035226 CC(COC(C)=O)n1[nH]c2ccccc2c1=O
BDBM50035227 OCCCn1[nH]c2ccccc2c1=O
BDBM50035228 OCCn1[nH]c2ccccc2c1=O
BDBM50035229 CCCCCCCCn1[nH]c2ccccc2c1=O
BDBM50035231 CC(C)n1[nH]c2ccccc2c1=O
BDBM50035232 COc1n(nc2ccccc12)-c1ccc(cc1)C#C
BDBM50035233 COc1n(nc2ccccc12)-c1cccc(I)c1
BDBM50035234 COc1n(nc2ccccc12)-c1ccc(I)cc1
BDBM50035241 COc1n(nc2ccccc12)-c1cccc(Cl)c1
BDBM50035261 COc1n(nc2ccccc12)-c1ccccc1
BDBM50035282 COc1n(CCCCCO)nc2ccccc12
BDBM50035283 COc1n(CCCCO)nc2ccccc12
BDBM50035284 CCCCCCCCn1nc2ccccc2c1OCC
BDBM50035286 CCCCCn1nc2ccccc2c1OC
BDBM50035287 CCCCn1nc2ccccc2c1OCC
BDBM50035288 CCCCn1nc2ccccc2c1OC
BDBM50035289 COc1n(nc2cc3OCOc3cc12)C(C)C
BDBM50035290 COCCOc1n(nc2ccccc12)C(C)C
BDBM50035291 CCOc1n(nc2ccccc12)C(C)C
BDBM50035230 CCCCn1[nH]c2ccccc2c1=O
BDBM50035223 CC(C)n1n(CC(=O)N2CCOCC2)c2ccccc2c1=O
BDBM50035281 COCCn1nc2ccccc2c1OC
BDBM50035285 CCCCCCCCn1nc2ccccc2c1OC
BDBM50035292 COc1n(nc2ccccc12)C(C)C
BDBM50133595 COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
BDBM50133596 COc1ccc(OC)c(c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
BDBM50133597 CCCc1cc(=O)[nH]c(=S)[nH]1
BDBM50133598 COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1
BDBM50133600 COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCOC(C)C
BDBM50133601 COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCO
BDBM50133603 COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O
BDBM50133604 COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(=O)NCCN
BDBM217355 ONC(=O)c1ccc(Cc2ccccc2)cc1O
BDBM217354 ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O
BDBM50133602 COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CCN
BDBM217356 ONC(=O)c1c[nH]c(NCc2ccccc2)nc1=O
BDBM223077 COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
BDBM50206360 Oc1ccccc1CCCNCc1ccccc1F
BDBM50206361 Oc1ccccc1CNCCCc1ccccc1
BDBM50206362 Oc1ccccc1CCNCc1ccc(F)cc1
BDBM50206363 Oc1ccccc1CN1CCCCC1
BDBM50206364 Oc1ccccc1CNCCCc1c[nH]c2ccc(F)cc12
BDBM50206365 Oc1ccccc1CNCCc1c[nH]c2ccc(F)cc12
BDBM50206366 Oc1ccccc1CCCNCc1ccc(F)cc1
BDBM50206367 Oc1ccccc1CCCNCc1ccccc1
BDBM50206369 Oc1ccccc1CNCCc1ccccc1
BDBM50206370 Oc1ccccc1CC1CCCNC1
BDBM50206371 Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1
BDBM50206372 Oc1ccccc1CCCNCc1ccccc1O
BDBM50206373 Oc1ccccc1CCNCc1cccc(F)c1
BDBM50206374 Oc1ccccc1CNCCCc1ccccc1F
BDBM50206375 Oc1ccccc1CN1CCN(Cc2ccccc2O)CC1
BDBM50206376 Fc1ccccc1CN1CCN(Cc2ccccc2F)CC1
BDBM50206377 Fc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1
BDBM50206378 COc1ccccc1CCCNCc1ccccc1O
BDBM50206379 Oc1ccccc1CNCCc1ccccc1F
BDBM50206380 Oc1ccccc1CCCNCc1cccc(F)c1
BDBM50206381 Oc1ccccc1CCNCc1ccccc1F
BDBM50206382 Oc1ccccc1CCNCc1ccccc1
BDBM50210131 COc1cc(\C=N\Nc2nncc3ccccc23)ccc1O
BDBM50210132 COc1ccc(\C=N\Nc2nncc3ccccc23)cc1O
BDBM50210133 CN(C)c1ccc(\C=N\Nc2nncc3ccccc23)cc1
BDBM50210134 COc1cc(\C=N\Nc2ccc(F)cc2)ccc1O
BDBM50210135 CN(C)c1ccc(\C=N\NC(=O)c2ccncc2)cc1
BDBM50210136 OC\C=N\Nc1ccc(F)cc1
BDBM50210137 OC\C=N\Nc1nncc2ccccc12
BDBM50210138 COc1ccc(\C=N\Nc2ccc(F)cc2)cc1O
BDBM50210139 CN(C)c1ccc(\C=N\Nc2ccc(F)cc2)cc1
BDBM50210143 COc1ccc(\C=N\NC(=O)c2ccncc2)cc1O
BDBM50210144 OC\C=N\NC(=O)c1ccncc1
BDBM50206383 COc1ccccc1CCNCc1ccccc1O
BDBM50210145 NNc1ccc(F)cc1
BDBM50206368 Oc1ccccc1CCNCc1ccccc1O
BDBM50229909 Cc1cc(NCc2ccccc2)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
BDBM50229897 Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
BDBM50229902 Cc1cc(N)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
BDBM50229904 Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1