Compound Name

SMILES String

CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|

C1CN(CCN1)c1cccc2ccccc12

c1cc2c(cc1C(=O)N)c(c[nH]2)CCN

Cc1[nH]c2ccc(O)cc2c1CCN

NCCc1c[nH]c2ccc(O)cc12

COc1ccc2c(c1)c(c[nH]2)CCN

CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F

CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O

CCCN(CCC)C1CCc2cccc(O)c2C1

Clc1cccc(c1)N1CCNCC1

CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C

CC(C)NCC(O)COc1cccc2[nH]ccc12

C1CN(CCN1)c1ccc2ccccc2n1

COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F

CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

FC(F)(F)c1cccc(c1)N1CCNCC1

NCCc1c[nH]c2ccccc12

CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC

c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N

NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|

NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1

CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1

CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F

CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1

CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|

C(Cc1c[nH]c2ccccc12)C1CCNCC1

c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F

C1CN(CCN1)c1cccc2OCCOc12

COc1cc(CC(C)N)c(OC)cc1Br

C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C

CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|

c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F

CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21

OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|

CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC

CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC

CCc1cc2c(ccc3cnn(CC(C)N)c23)o1

COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1

CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15|

CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18|

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4|

CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|

CN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18|

CN1CCC(=CC1)c1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:15.15,c:4|

CN(C)CCCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.16|

CN(C)CCc1c[nH]c2ccc(CN=C(N)c3cccs3)cc12 |w:13.12|

CCN1CCC(CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:17.19|

CN1CCC(=CC1)c1c[nH]c2ccc(NC(=S)NC(=O)c3ccccc3)cc12 |c:4|

CCSC(N)=Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |w:5.5,t:13|

CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|

CN1CCC[C@H]1Cc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:16.18|

CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:15.17|

CN1CCC(C1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:15.17|