smiles stringlengths 1 2.87k |
|---|
Cc1ccn(-c2cc(Cl)c(F)c(C(C)(C)C)c2)n1 |
O=C1NC(=O)C(=Cc2ccnc(NC3CCC(CNCCc4ccccc4)CC3)n2)S1 |
C=C(Cc1nc2c(N)nc(F)nc2n1CCNS(=O)(=O)C(C)C)C(I)=CC1=CCCC1 |
Cc1ccc(-c2c(CC(=O)OC(C)C)c(C)nc(C)c2-c2ccc3c(c2)CCN(C(=O)OCc2ccccc2)C3)cc1 |
CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1ccc(Cl)cc1 |
CCc1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3F)o2)s1 |
COc1cccc(-c2nn(-c3ccc(CCN4C5CCC4COC5)cc3)c(=O)n2CC(=O)CC(C)C)n1 |
CCc1c(-c2nccs2)c(C(N)=O)c(C)n1C1CC1 |
CC(C)C(CN)Cc1cccc(Cl)c1Cl |
CCN(CCC(=N)N)c1nc(C)cnc1C |
CNC(Cc1ccco1)c1cnn(-c2ccccc2)n1 |
O=C(NCc1cccc(Cn2ccnc2)c1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1 |
CCCCCCN1c2cc3ccccc3cc2Nc2cc3ccccc3cc21 |
CCCN1CCCC1c1ccc([N+](=O)[O-])cc1C |
FC(F)(F)c1ccccc1C1CC(c2cccs2)=NN1c1ccccc1 |
COC(=O)c1ccc2c(c1)C1C(c3ccccc3)=CC2N1C |
CCCCn1cc(C(=O)C(=O)O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc21.CCCCn1cc(C(=O)C(=O)O)c2cc(-c3ccc(OC)cc3)ccc21.Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)O)cn3Cc2ccc(C(C)(C)C)cc2)c1 |
C[Se]CCC(NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(=O)O |
CCNC1C(Sc2nnnn2C2CC2)CCC1(C)C |
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCC |
CCCN(C(=O)COC)c1cccc(C(F)(F)F)c1 |
C1OC2CC3CC1C2C3 |
O=C(OCc1ccc([N+](=O)[O-])cc1)N(c1cncs1)c1ncc([N+](=O)[O-])s1 |
O=C(Nc1ccc(Cl)o1)NC1CCNCC1 |
O=C1C(=Cc2ccc(OCn3ccnc3)cc2)CCC1=Cc1ccc(OCn2ccnc2)cc1 |
O=C(C[NH+]1CCCC1c1nc2ccccc2s1)NC(=O)Nc1ccccc1F |
C1=C(CSC2=NC3CCCCC3N2)N2C(=NC3CCCCC32)S1 |
Cc1sc2c(c1C(=O)c1ccco1)CCC2C(=O)O |
CCOc1cc(CN(C)C(C)C(=O)Nc2ccccc2)ccc1OC(F)F |
COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1C1CCS(=O)(=O)C1)CSC2 |
CCCC(C)n1nc(C)c(CCNC(C)(C)C)c1C |
N#Cc1cn(-c2ccc(C(=O)O)cc2)c2ccccc12 |
CCCC(CCO)Nc1nc(C)ncc1OCCCc1ccc2c(c1)OCO2 |
CC1CCN(c2noc(N)c2C#N)CC1 |
COCC(C)NC(=O)C1Cc2ccccc2S1 |
Cc1ccc(S(=O)(=O)N(CC(=O)N=Nc2c(O)n(C)c3ccccc23)c2ccccc2C)cc1 |
[Br-].[CH2]CC.[Zn] |
COc1ccsc1C(=O)N1CCC2(O)CCCCC2C1 |
CCOc1ccc(-c2nc(Br)cc(Br)n2)cc1 |
Cc1[nH]ncc1CCCNC1CCOc2ccc(Br)cc21 |
CCC#CC1CCCC(C(=O)c2ncn(Cc3ccc(-c4ccccc4C(=O)O)cc3)n2)C1 |
CC1(C)CC1(C(=O)Nc1ccn(-c2ccncc2)n1)c1ncccc1F |
CCCCCCCCCCCCCCCCCCCN([O-])CC1CCCCC1 |
O=C(CCc1c(-c2ccccc2)nc2ccccn12)NCc1ccccc1F |
CCOC(=O)CC(=O)CN(c1ccccn1)S(C)(=O)=O |
FC(F)(F)c1cc(Br)ns1 |
c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c6c(ccc45)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5nc6ccccc6c6c7c(ccc56)C5(c6ccccc6O7)c6ccccc6-c6ccccc65)cc4)nc(-c4ccccc4)n3)c2)cc... |
CC(C)Oc1cc(F)cc2ccc(C=NNc3ccc(C(N4CCC(NC(=O)O)C4)C(F)(F)F)cn3)nc12 |
COC(=O)CN(C)c1nc2cc3c(cc2[nH]1)OCO3 |
CC1(C)C(=CC=CC(=CC=CC2=[N+](CC(=O)O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)c2ccccc2)N(CC(=O)O)c2ccc(S(=O)(=O)[O-])cc21.[Na+] |
C=CC1=C(Cc2ccc(F)cc2)C=C2CCP(Cc3cccc(F)c3C(=C)N3CC(=C)C3)C2(C)C1 |
O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 |
CCC(CC(C)C)C(=O)NC1C(=O)CC(CC(N)=O)C(=O)NC2C(=O)CC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O.Cl |
CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(O)cc2)cs1 |
CCCc1c(N)ncnc1Nc1cccc(Cl)c1Br |
N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1C#N |
COc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCSCC43)C2=O)cc1 |
CC(Cc1ccccc1F)C(=O)NC1CCCN(c2ncccn2)C1 |
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1C1OC(CO)C(O)C1F |
Ic1cnn(-c2ccc(NCCCc3nc4c(s3)CCCC4)nn2)c1 |
CC(C)(C)[Si](C)(C)OC1COC2C(=O)COC12 |
O=C(C1CC1c1cccc(Cl)c1)N1CCC(N2CCNCC2)C1 |
CCC(CC)Oc1ccc(C)cc1C#CCN |
COCC(=O)N1CCCN(CC(C)C)CCCN(C(=O)CCC2CCCO2)Cc2cc(F)ccc21 |
COc1cc(N)c2nc(C(C)CCCN)ccc2c1C1CCCC1 |
CCCn1cc(OCc2cc(C(=O)O)no2)cn1 |
NC(=O)C(CC(=O)O)c1ccc(Cl)c(Cl)c1 |
Cc1ccccc1CSCC(=O)N(Cc1cccc(Cl)c1)C(Cc1ccccc1)C(=O)NC(C)C |
O=Cc1cccc(C2=NC=CCC2=NOCCCCc2ccccc2)n1 |
O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 |
NC(=O)CCc1ccccc1N1CCNC1=O |
CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O |
CCCc1nc(C)n2c(=O)n(CC(=O)OCC)nc2c1Cc1ccc(N)cc1 |
Cc1ccc(C2CN(Cc3nccn3C)C3C4CCN(CC4)C23)cc1 |
Cc1c(O)c(=O)ccn1CCOC(=O)C(C)(C)C |
COC1C=CSc2ccccc21 |
CCCN(CCC(C)CC)c1cc(N2CCN(C(C)C)C2=O)c2nc(C(=O)OC)c(OCc3ccccc3)c(=O)n2c1 |
CC(C)(C)OC(=O)N1CCC(C2CC2CCO)CC1 |
CC(C)N.NCCCCC(N)C(=O)O.O=Cc1ccc(Cl)cc1Cl |
Cn1c(N2CCCCC2)[n+](C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-] |
CC(=O)C(OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(c4)CC(=O)N5)c3)sc2c1-c1ccc(Cl)cc1 |
C=CC(=O)OCCc1cccc(N=Nc2ccc(N)cc2)c1 |
COc1cc(C)ccc1NC(=O)N1CCC(OC)(C(F)(F)F)CC1 |
CC(OC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)c1ccccc1 |
CCC1CCCCC1C(N)c1cccc(Br)c1Cl |
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC |
CS(=O)(=O)c1nc2c(c(=O)[nH]1)CN(Cc1ccc(I)o1)CC2 |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(C)(C)C)CC1 |
CCCC=C1C(CC(=O)O)=NN(Cc2cc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc21 |
Cn1nc(-c2ccccc2)nc1NC(=CC=O)c1ccc(NN)c(N)c1 |
O=C(c1ccc2c(c1)OCCO2)N1CCCc2c(Cl)ccc(F)c21 |
CCCCC(C)(CC)c1cc(C)n(C)n1 |
O=C(C1CN(C(=O)c2cnn(-c3ccccc3)n2)c2ccccc2O1)N1CCOCC1 |
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N=C([O-])Cn4cnnn4)C3SC2)s1.[Na+] |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccsc2)CC1 |
Cc1ncccc1C(=O)N(C)C1CC2CCC(C1)N2 |
CC(C)(C)OC(=O)NC1CCN(c2ccnc3ccc(-c4cnc5ccc(-c6cccc(C#N)c6O)cc5c4N4CCC(N)CC4)cc23)CC1 |
C=Cc1ccc(OC(CCCCCCCCCCCC)CCCCCCCCC(=O)[O-])cc1.[Na+] |
CC.CC.CCOc1ccc(N2C(=O)c3cc4sc(CC)cc4n3CC2C(=O)NC2CCCCC2)cc1 |
COC1=CC=CCC1C(=O)NCc1ccc(-c2nn(C3CCOC(C(F)(F)F)C3)c(N)c2C(N)=O)cc1 |
End of preview. Expand in Data Studio
README.md exists but content is empty.
- Downloads last month
- 5