Compound Name

SMILES String

C(Oc1cccnc1)[C@@H]1CCN1 |r|

c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl

C[N@@]1CCC[C@H]1c2cccnc2

CNCCC(Oc1ccccc1C)c1ccccc1

C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3

C[C@@H](Cc1ccc2c(c1)OCO2)NC

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

Clc1ccc(OC[C@H]2CCN2)cn1 |r|

Clc1cncc(c1)N1CCCNCC1

C1CN[C@@H](C1)c1cc2ncccc2o1

CN1CCC[C@H]1c1cc(C)no1 |r|

CN1CCC[C@H]1c1cccnc1 |r|

CN1CCC[C@H]1COc1cccnc1

CN1CCC[C@H]1c1cc2ncccc2o1

CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8|

CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|

C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8|

CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11|

Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|

Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|

Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|

CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|

Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1

COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1

Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1

C(Oc1cccnc1)[C@H]1CCN1

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1

C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|

CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|

CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1

Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1

O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1

NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|

Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl

NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|

Clc1ccc(Cn2ccsc2=N)cn1

Clc1ccc(CN2CCSC2=N)cn1

c1cc(ncc1CN\2CCS/C2=N\C#N)Cl

[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|

[O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1

[H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|

COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|