smiles
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CCOC(=O)c1nc2n(n1)C(C(C)=O)CC2OCc1ccccc1 |
CCN(Cc1noc(CC(C)C)n1)C(=O)Cn1[nH]c(=O)ccc1=O |
O=C([O-])Cc1c(CCl)cc(C(F)(F)F)nc1OC(F)(F)F |
COCc1cc(N2CCC3(C=Cc4ccccc43)CC2)n2nccc2n1 |
COCC(=O)N1C2CCCC(C)C(O)C(C)C(=O)C(C)(C)C(O)CC(=O)NC(C(C)=Cc3csc(C)n3)CC21 |
C=CC(C)(C[NH2+]C)CC1CSc2ccccc21 |
C=CC(O)(CCCCCC)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
CCC[NH2+]C(c1ccc(Br)cc1)c1c(Cl)cccc1Cl |
CC(=O)Nc1cc(N(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-])ccc1N=Nc1c(C#N)cnn1-c1ccc(S(=O)(=O)[O-])cc1 |
O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(CNC(=O)c2cccs2)cc1 |
COc1cccc(OC)c1C[NH+]1CCc2nc(N)ncc2C1 |
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CCC4(CC3)OCCO4)CC2)s1 |
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(Br)cc1 |
CC(CCNC(=O)C1=NN(C)C(=O)CC1)c1ccccc1 |
CSc1nnc(C=O)c(C)n1 |
CC(=O)CC(C)C(=O)c1cncc(Br)c1 |
COC(=O)c1cc(N)cn1Cc1ccc2ncccc2c1 |
Cc1ccnc(C)c1Nc1cc(N)nc(N)n1 |
CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(C(F)(F)F)cc21 |
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 |
CC(=O)Nc1ccc(Nc2c(-c3ccc4c(c3)NC(=O)CO4)nc3c(C#N)c[nH]n23)cc1 |
CCCOC(=O)c1cnn(-c2c[n+]([O-])c3cc(Cl)ccc3n2)c1N |
Cc1cc(OCc2ccc(F)cc2Cl)ccc1C#CC[NH3+] |
C[NH+]=C(NCc1ccc(F)cc1CSC)NCC(C)[NH+]1CCOCC1C |
CC(C)(C)OC(=O)N1CC(CP(c2ccccc2)c2ccccc2)CC1CP(c1ccccc1)c1ccccc1 |
CCCCCC=CCC=CCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC |
COc1ccc(CNC(=O)c2cc(NCC(C)C)nc(-c3ccccc3)n2)cc1 |
Cc1cccc(Nc2nc(Cl)ncc2[N+](=O)[O-])c1C(=O)[O-] |
C#CC[NH2+]CC(C)N1CCCSCC1 |
COc1ccc(CNc2nc(NCCOCCOCC[NH3+])nc(NCc3ccccc3C(F)(F)F)n2)cc1OC |
O=C(OC1Cc2c(O)cc(O)c(-c3c(C4Oc5cc(O)cc(O)c5CC4OC(=O)c4cc(O)c(O)c(O)c4)cc(O)c(O)c3O)c2OC1c1cc(O)c(O)c(O)c1-c1c(C2Oc3c(c(O)cc(O)c3-c3c(C4Oc5cc(O)cc(O)c5CC4OC(=O)c4cc(O)c(O)c(O)c4)cc(O)c(O)c3O)CC2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1 |
O=C1Nc2ccc([N+](=O)[O-])cc2C1C(=Nc1ccc(Cn2cccn2)cc1)c1ccccc1 |
O=C(CSc1nnnn1C1CC1)Nc1ccc(-n2cccn2)nc1 |
COc1cccc(C2CC2C(=O)NCc2nnc3n2CCC3)c1 |
CC[NH2+]C(CC)c1ccc(OCc2cccc(F)c2)cc1 |
Cn1cnc2cc(C(=O)NCCc3cc(F)c(F)c(F)c3)cnc21 |
CCC(=N[NH+]=C(C)N)c1ccccc1 |
C=CCS(=O)(=O)c1ccc(F)cc1 |
COc1ccc(C)cc1CC(=O)c1cc2ccccc2o1 |
CS(=O)(=O)N1CCC([NH2+]Cc2cccc(O)c2O)CC1 |
CC(C)(C)c1csc(C[NH+](CC(N)=S)C2CCCC2)n1 |
CN1CC2(CCN(C(=O)c3ccccc3F)CC2)CC(O)C(O)Cc2ccccc2OCC1=O |
COc1cc(C2CC(C(=O)[O-])C[NH2+]2)cc(Cl)c1OC1CC1 |
Cc1ccc2c(c1)C(N1CCN(C(=O)c3cccs3)CC1)=[NH+]c1ccccc1O2 |
c1ccc(C2(C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5ccccc5c3)c3cccc5c3oc3ccccc35)c3ccccc43)c3ccc4ccccc4c3-c3c2cc(N(c2ccc4ccccc4c2)c2cccc4c2oc2ccccc24)c2ccccc32)cc1 |
COC(=O)C(c1ccccc1)[NH+]1CCC(=O)CC1 |
N#Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 |
O=S(=O)(c1cccc2ccccc12)n1cc(C2CCCC3CCCC[NH+]32)c2cnccc21 |
CCC(=O)C(=O)CCCCCNC(=O)C(C)C |
O=C([O-])c1cn2c(c([O-])c1=O)C(=O)N(Cc1ccc3c(c1)CCO3)CN2Cc1ccccn1 |
Cc1cnc(N2CCNC(=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1 |
COc1cc(C=CC(=O)NCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)ccc1O |
COc1cc2nc(C)n(CCNC(=O)C(C)C)c(=O)c2cc1OC |
Cc1ccnc(NCC(CC(C)C)C(=O)[O-])c1C(N)=O |
CCNc1cc(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1 |
Nc1ccc(NCC(O)CO)c(-c2cccc(C=O)c2)c1 |
COc1cc(C)n2[n+]1CCCC2 |
Cn1ncnc1COc1ccc(S(=O)(=O)NC2CCCC2)cc1 |
CCCONC(=[NH+]Br)c1ccccc1 |
CCc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)C2c2cccc(C)c2)cc1 |
CCOc1ccc(NC(=O)OCc2ccccc2Br)cc1OCC |
Cc1nc(Br)c(C#N)c(C#N)c1[N+](=O)[O-] |
COc1cc2c3c(c1OC)-c1ccccc1C(O)C3[NH+](C)CC2 |
CC(C)NC(=O)CN(C)c1cc(N(C)CC(=O)NC(C)C)nc(-c2ccc(F)cc2)n1 |
CCNC(NCC(c1ccccc1)[NH+](CC)CC)=[NH+]Cc1ccc(OC)c(O)c1 |
Cn1cc(-c2ccc3c(c2)CCC32NC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCC(C(=O)[O-])CC3)C2=O)cn1 |
Cc1ccc(Oc2ccccc2NC(=O)COC(=O)c2ccccc2CSC2=NCCS2)cc1 |
COCC1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 |
O=C(Cc1cccc2ccccc12)C1CC[NH2+]C1 |
CCOC(=O)CC[NH2+]Cc1c(F)ccc(Br)c1F |
Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)Cn3cncn3)C2)cc1 |
COc1cccc(N2CC(C(=O)N3CCCC(Cc4nc(C5CC5)no4)C3)CC2=O)c1 |
CCCCc1ccc(N2C(=O)C(Cl)=C([NH+]3CCN(c4cccc(C)c4C)CC3)C2=O)cc1 |
C=C(C)C[NH+]1CCC(NC(NCCc2ccc(C)c(OC)c2)=[NH+]C)CC1 |
CC([NH2+]Cc1cnoc1)c1cc(F)c(CN2C(C)CCC(c3ccccc3)S2(=O)=O)cc1F |
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)[O-])CSCCC1(C)C |
NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 |
CCN(CC[NH+]=C(N)NC(C)COC)c1cccc(C)c1 |
CCOC(=O)N1CCC(NC(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 |
CN(Cc1ccc(Cl)s1)c1nc(NN)nc2[nH]ncc12 |
[NH3+]Cc1nc(-c2ccc(C3CCCC3)c(Br)c2)no1 |
CCCCCCCCc1ccc(C2(C(=O)Oc3ccc(CC)cc3C#N)CCCCC2)cc1 |
[NH3+]Cc1ccccc1NC(=O)Cc1c[nH]c2ccccc12 |
CCC([NH2+]C(C)c1ccc(F)c(F)c1)C1CC1 |
NC(=O)c1ccc(C#CCNC(=O)c2c(F)cccc2F)cc1 |
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)c(Br)c1 |
COc1cccc(-c2cc(C3(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccc(C)n5)cc4)CC3)no2)c1 |
COc1cccc(C#N)c1Nc1cc(Cl)nc(C2CC2)n1 |
COC(=O)NC1CCN(c2ccc(C)cc2CO)C1 |
O=C([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1SCc1ccccc1 |
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CO)Cc1ccccc1)OC)N(C)C(=O)CC(C)C |
Cc1ccc(S(=O)(=O)n2c(C(=O)C(C#N)=C[NH+](C)C)cc3cc(F)c(Br)cc32)cc1 |
CC1(C)CC(NC(=O)Cc2nc(CCl)cs2)CC(C)(C)C1 |
COC(=O)c1ccc(CN(CCCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 |
CC(C)(C)c1nc2cc(S(=O)(=O)c3ncc(S(C)(=O)=O)cc3Br)ccc2n1CC1CCCCC1 |
CC#CCCNC(=O)C=Cc1ccc(F)cc1 |
CC12CC3(O)OC(O1)C1(CO)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O |
CCNC(=O)C1Cc2c(ncnc2-c2cnn(C)c2)CCN(C(=O)N(C)C)C1 |
CC[NH2+]C1CCC(C)CC1OCCC(F)(F)F |
O=C(NCCCC(=O)N1CCc2ccccc2C1)NCc1cn2cc(Cl)ccc2[nH+]1 |