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50 SMILES Strings for MurA (E. coli)

Compound NameSMILES String
BDBM119067 Clc1ssc(=O)c1-c1ccccc1
BDBM119068 CN(C)CCC(=O)C(OCC=C)(c1ccccc1)c1ccccc1
BDBM119070 OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 |r,t:11,17|
BDBM119071 OC1COC(=O)C1=C |w:1.0|
BDBM119072 CN1CCN(CC1)C1CCc2ccccc2C1=O
BDBM119073 Oc1cc(Cl)c2oc(=O)sc2c1Cl
BDBM119079 CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM119080 [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
BDBM119122 FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16|
BDBM119091 CC(C)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)c1cc(O)cc(O)c1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1)c1cc(O)cc(O)c1 |r|
BDBM50024894 C[C@@H]1O[C@@H]1P(O)(O)=O |r|
BDBM50096873 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16|
BDBM50166475 Clc1ccc(cc1)N1N(C(=O)C(CCCCCCc2ccccc2)(CCCCCCc2ccccc2)C1=O)c1ccc(Cl)cc1
BDBM50166476 Oc1c(Cc2ccccc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166477 CCN(CC)CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
BDBM50166478 Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166479 CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1
BDBM50166480 Oc1c(CC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166481 Oc1c(CCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166482 CCCCCCCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
BDBM50166483 Oc1c(CCOCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166484 CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50166485 Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
BDBM50166486 Oc1c(Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166487 Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166488 CC1(CCOCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50166489 COc1cccc(Cc2c(O)n(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)c2=O)c1
BDBM50166490 Oc1c(Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166491 CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50166492 CCC(CC)Cc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O
BDBM50166493 Oc1c(CCSCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166494 Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166495 Oc1c(CCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166496 Oc1c(Cc2ccc(cc2)C2(CC=CC=C2)C#N)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 |c:13,15|
BDBM50166497 Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166498 Oc1c(CCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166499 Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1
BDBM50166500 Oc1c(CCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166501 Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
BDBM50166502 CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM50194428 C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)C(\CO)=C\CO |c:1|
BDBM50194429 C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1|
BDBM50194430 OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |r|
BDBM50194425 CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12 |t:1|
BDBM50370831 C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C |r|
BDBM50370832 CC1=CCC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@H](O)CO |r,t:7|
BDBM50411242 C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1,t:6|
BDBM50428794 [O-][N+](=O)\C=C\c1ccc(Br)o1
BDBM50428795 [O-][N+](=O)C(\Br)=C\c1ccc(Br)o1
BDBM50428793 [O-][N+](=O)CBr