Compound Name

SMILES String

OC(=O)COC[C@H]1CC[C@@H](Cn2nc(c(c2SCC#N)-c2ccccc2)-c2ccccc2)CC1 |r,wU:9.9,6.5,(9.46,-2.31,;8.13,-1.54,;8.13,0,;6.79,-2.31,;5.46,-1.54,;4.13,-2.31,;2.79,-1.54,;1.46,-2.31,;.13,-1.54,;.13,0,;-1.21,.77,;-2.54,0,;-2.77,-1.52,;-4.29,-1.78,;-5,-.41,;-3.92,.69,;-4.32,2.18,;-3.23,3.26,;-3.63,4.75,;-4.03,6.24,;-6.49,-.01,;-6.89,1.48,;-8.37,1.87,;-9.46,.79,;-9.06,-.7,;-7.58,-1.1,;-4.69,-3.26,;-6.17,-3.66,;-6.57,-5.15,;-5.48,-6.24,;-4,-5.84,;-3.6,-4.35,;1.46,.77,;2.79,0,)|

CSc1c(-c2ccc(C)s2)c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1 |r,wU:14.15,17.19,(-3.06,4.75,;-4.15,3.66,;-3.75,2.18,;-4.83,1.08,;-6.32,1.48,;-7.41,.39,;-8.78,1.09,;-8.54,2.61,;-9.63,3.7,;-7.02,2.85,;-4.12,-.29,;-2.6,-.04,;-2.37,1.49,;-1.04,2.26,;.29,1.49,;.29,-.05,;1.63,-.82,;2.96,-.05,;4.29,-.82,;5.63,-.05,;6.96,-.82,;8.29,-.05,;9.63,-.82,;8.29,1.49,;2.96,1.49,;1.63,2.26,;-4.52,-1.78,;-6.01,-2.18,;-6.41,-3.66,;-5.32,-4.75,;-3.83,-4.35,;-3.43,-2.87,)|

OCCSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1ccccc1 |r,wU:10.10,13.14,(-2.54,6.04,;-3.63,4.95,;-3.23,3.46,;-4.32,2.37,;-3.92,.89,;-5,-.21,;-4.29,-1.58,;-2.77,-1.32,;-2.54,.2,;-1.21,.97,;.13,.2,;.13,-1.34,;1.46,-2.11,;2.79,-1.34,;4.13,-2.11,;5.46,-1.34,;6.79,-2.11,;8.13,-1.34,;9.46,-2.11,;8.13,.2,;2.79,.2,;1.46,.97,;-4.69,-3.06,;-6.17,-3.46,;-6.57,-4.95,;-5.48,-6.04,;-4,-5.64,;-3.6,-4.15,;-6.49,.19,;-6.89,1.67,;-8.37,2.07,;-9.46,.98,;-9.06,-.5,;-7.58,-.9,)|

CSc1c(c(nn1C[C@@H]1CC[C@H](COCC(O)=O)CC1)-c1ccccc1)-c1cncc(F)c1 |r,wU:8.8,11.12,(-2.88,4.75,;-3.97,3.66,;-3.57,2.18,;-4.65,1.08,;-3.94,-.29,;-2.42,-.04,;-2.2,1.49,;-.86,2.26,;.47,1.49,;.47,-.05,;1.8,-.82,;3.14,-.05,;4.47,-.82,;5.81,-.05,;7.14,-.82,;8.47,-.05,;9.81,-.82,;8.47,1.49,;3.14,1.49,;1.8,2.26,;-4.34,-1.78,;-5.83,-2.18,;-6.23,-3.66,;-5.14,-4.75,;-3.65,-4.35,;-3.25,-2.87,;-6.14,1.48,;-6.54,2.96,;-8.03,3.36,;-9.12,2.27,;-8.72,.79,;-9.81,-.3,;-7.23,.39,)|

CCC(C)C(NC(=O)c1ccccc1)C(=O)N1CCc2ccccc12

CCCCNc1nc2ccccc2n1CC(=O)N1CCc2ccccc12

Cc1cccc2cc3c(N)c(sc3nc12)C(=O)NC1CCCC1

Cc1cc2cc3OCCOc3cc2nc1SCCN1CCCCC1

O=C(Cc1c[nH]c2ccccc12)NC1CCc2ccccc2C1

CC1CCCCN1CC(=O)Nc1sc2CCCCCc2c1C#N

CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl

CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl

CN(C)CCCN1c2ccccc2CCc3c1cccc3

CN(C)CCCN1c2ccccc2Sc3c1cccc3

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

c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N

CC(CN1c2ccccc2Sc2ccccc12)N(C)C

CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C

c1ccc2nc3ccccc3nc2c1

CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1F

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)c(F)c1

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cn1

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)nc1

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cccnc2)cc1

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccn2)cc1

CC(C)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

CC(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1

CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1

CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1

Clc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1

CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1

CN1CCN(CC1)c1ccc(NC(=O)c2cccc(Br)c2)cc1

COc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1

CCOc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1

O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1

O=C(CN1C(=O)COc2ccccc12)N1CCCc2ccccc12

O=C(N[C@@H]1CCc2ccccc2C1)C(=O)O[C@@H]1C=CCc2ccccc12 |r,c:19|

Cc1cccc2cc(C#N)c(nc12)N1CCCN(CC1)C(=O)C1CCC1

O=C(CC1CNc2ccccc12)NC1CCc2ccccc2C1

COc1ccc(cc1)-c1nc(N)sc1-c1ccc(OC)cc1

COc1ccc(OC)c(c1)-c1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc1C

COc1ccc(OC)c(Nc2nnc(s2)-c2cc3cccc(OC)c3oc2=O)c1

O=C(CSc1ncnc2sc3CCCc3c12)NCC1CCCO1

CC1CCCCC1NC(=O)COc1ncnc2sc3CCCc3c12

O=C(Nc1sc2CCCCc2c1C#N)c1cc2CCCCc2s1

O=C(CN1C(=O)N[C@@]2(CCCc3ccccc23)C1=O)N1CCCCC1 |r|

CC1Cc2ccccc2N1C(=O)COc1ncnc2sccc12

CCC[C@@H]1Nc2ccccc2N1CC(=O)N1CCCc2ccccc12 |r|

[H][C@]12CC[C@]([H])(C1)[C@@H](C2)NC(=O)CN1C(=O)c2cccc3cccc1c23 |r|

O=C(CCc1nc2ccccc2c(=O)[nH]1)NC1CCCc2ccccc12

O=C(COC(=O)c1c2CCCc2nc2ccccc12)NC1CCCC1

[H][C@]12CCCC[C@]1([H])[C@@H](C#N)[C@H](NC(=O)CN1CCCC[C@H]1C)S2 |r|

CC(=O)NC(=O)NC=C

CN1\C(=C\C(=O)Nc2cccs2)c2ccccc2CC1(C)C

Nc1c(cnn1-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCNCC1