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67 SMILES Strings for 3C-like proteinase (3CL-PRO)

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM11232 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
BDBM11233 C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
BDBM53105 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
BDBM59237 Nc1ccccc1C(=O)On1nnc2ccccc12
BDBM59240 CCN(CC)c1ccc(cc1)C(=O)On1nnc2ccccc12
BDBM59241 O=C(On1nnc2ccccc12)c1ccc2nc[nH]c2c1
BDBM59242 O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
BDBM59243 O=C(On1nnc2ccccc12)c1cc2ccccc2[nH]1
BDBM59244 Fc1ccc2[nH]c(cc2c1)C(=O)On1nnc2ccccc12
BDBM59245 O=C(Cn1nnc2ccccc12)c1ccc(cc1)N(=O)=O
BDBM59246 CCN(CC)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM59239 CNc1ccc(cc1)C(=O)On1nnc2ccccc12
BDBM59247 Nc1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM59248 Nc1ccc(cc1)C(O)Cn1nnc2ccccc12
BDBM59249 CNc1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM59250 CN(C)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
BDBM59251 CNc1ccc(cc1)C(O)Cn1nnc2ccccc12
BDBM59252 CN(C)c1ccc(cc1)C(O)Cn1nnc2ccccc12
BDBM59238 CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
BDBM78957 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
BDBM92520 CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(C)=O |r,w:39.41|
BDBM92521 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)NC(C[C@@H]1CCNC1=O)=CCC(=O)C1CC1 |r,w:38.40|
BDBM50115572 OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
BDBM50137863 OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
BDBM50137878 OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccccc1
BDBM50258085 OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1
BDBM50258132 OC(=O)C(=O)CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1
BDBM50258134 OC(=O)C(=O)CC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
BDBM50258136 OC(=O)C(=O)CC(=O)c1ccccc1OCc1ccc(Cl)cc1
BDBM50258183 OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
BDBM50297248 Oc1cc(CNCc2ccc(Cl)cc2)oc2ccc(O)c(=O)c12
BDBM50297249 Oc1cc(CNCc2cccc(Cl)c2)oc2ccc(O)c(=O)c12
BDBM50297250 Oc1cc(CNCc2cccc(c2)C#N)oc2ccc(O)c(=O)c12
BDBM50297251 Oc1cc(O)c2c(c1)oc(-c1ccc3OCOc3c1)c(O)c2=O
BDBM50297252 Oc1ccc(cc1O)-c1oc2cc(OCc3ccc(Cl)cc3)cc(O)c2c(=O)c1O
BDBM50297253 Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(Cl)c3)cc(O)c2c(=O)c1O
BDBM50297254 Oc1ccc(cc1O)-c1oc2cc(OCc3cccc(c3)C#N)cc(O)c2c(=O)c1O
BDBM50297255 Oc1cc(OCc2ccc(Cl)cc2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
BDBM50297256 Oc1cc(OCc2cccc(Cl)c2)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
BDBM50297257 Oc1cc(OCc2cccc(c2)C#N)cc2oc(c(O)c(=O)c12)-c1ccc2OCOc2c1
BDBM50343551 Nc1nc(CSc2nnc(-c3cccc4ccccc34)n2-c2ccccc2)cs1
BDBM50343552 COc1cc(ccc1O)C1C(C(=O)c2ccc(OCC(C)C)cc2C)C(=O)C(=O)N1CCN(C)C
BDBM50343553 Cc1nc(C)c(s1)C(=O)C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
BDBM50343554 COc1cc(\C=N\NC(=O)C(\NC(=O)c2ccccc2)=C/c2ccccc2)cc(OC)c1O
BDBM50343555 O=C(CSc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)NCc1ccco1
BDBM50176858 CC(C)(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:12|
BDBM50176859 OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(cc2)C#N)o1 |c:19|
BDBM50176860 COc1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:10|
BDBM50176813 CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1)c1cccc(c1)C(O)=O |t:1|
BDBM50176814 OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19|
BDBM50176802 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)C(F)(F)F |c:11|
BDBM50176803 OC(=O)c1cccc(c1)N1N=C(\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O)C(F)(F)F |c:11|
BDBM50176804 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:11|
BDBM50176805 CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1ccccc1 |t:1|
BDBM50176806 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20|
BDBM50176807 OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:20|
BDBM50176809 CC(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:11|
BDBM50176856 OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:19|
BDBM50176857 CC(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:11|
BDBM50176801 CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1|
BDBM50176810 CC(C)(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:12|
BDBM50176811 O=C1N(N=C(\C1=C\c1ccc(o1)-c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
BDBM50176812 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)c1ccccc1 |c:11|
BDBM50176861 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccco2)C1=O)c1ccccc1 |c:11|
BDBM50176862 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(cc2)-c2ccccc2)C1=O)c1ccccc1 |c:11|
BDBM50176863 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccccc1 |c:11|