Compound Name

SMILES String

C(Cc1nnc(Nc2ccc3nnsc3c2)[nH]1)C1CCCCC1

CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccccc5)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O |w:31.32,11.12|

CC(C)(C)CCNC(=O)Nc1ccc2nnsc2c1

CC(C)Oc1ccc(cc1)-c1c[nH]cc1CN(C)CCN

CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1

CCNC(=O)Nc1ccc2nnsc2c1

CCNC(=O)[C@@H](C)N |r|

CCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CC)c2cccc3cccc1c23

CN(C)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1

CN(CCN)Cc1c[nH]cc1-c1cccc(c1)C(F)(F)F

CN(CCN)Cc1n[nH]nc1-c1cccc(c1)C(F)(F)F

CNCCN(C)C

CNCCN1CCC(C)CC1

CNCCN1CCC(CC1)OCc1cccc(F)c1

CNCCN1CCC(CC1)OCc1cccc(c1)-c1ccccc1

CNCCN1CCC(CC1)OCc1ccccc1

CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC

COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1

COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1

COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C

COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1

COc1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1

CS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1

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

C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|

C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|

FC(F)(CNC(=O)Nc1ccc2nnsc2c1)c1ccccc1

FC(F)(F)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1

FC(F)(F)c1ccccc1CNC(=O)Nc1ccc2nnsc2c1

Fc1ccc(CCCNC(=O)Nc2ccc3nnsc3c2)cc1

Fc1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1

Fc1ccc(cc1)C(=O)CNC(=O)Nc1ccc2nnsc2c1

N#CNC(NCCC1CCCCC1)=Nc1ccc2nnsc2c1 |w:13.14|

NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1

NC(CNC(=O)Nc1ccc2nnsc2c1)c1ccccc1

NCCN1CCC(Cc2ccccc2)CC1

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c2c(N)ncnc12)C(O)=O |r|

N[C@H]1CC[C@@H](CCNC(=O)Nc2ccc3nnsc3c2)CC1 |r,wU:4.4,1.0,(18.61,-54.01,;17.28,-54.78,;17.27,-56.32,;15.94,-57.08,;14.62,-56.31,;13.29,-57.08,;11.95,-56.31,;10.62,-57.08,;9.28,-56.32,;9.28,-54.78,;7.95,-57.09,;6.62,-56.32,;6.61,-54.77,;5.28,-54.01,;3.95,-54.78,;2.47,-54.3,;1.57,-55.56,;2.48,-56.8,;3.95,-56.32,;5.28,-57.09,;14.6,-54.77,;15.94,-54,)|

N[C@H]1CC[C@H](CCCNC(=O)Nc2ccc3nnsc3c2)CC1 |r,wU:4.4,wD:1.0,(21.99,-11.24,;20.66,-10.47,;20.66,-8.93,;19.33,-8.15,;18,-8.92,;16.67,-8.16,;15.34,-8.93,;14,-8.16,;12.67,-8.93,;11.34,-8.16,;11.33,-6.62,;10,-8.94,;8.67,-8.17,;8.66,-6.62,;7.33,-5.85,;6,-6.62,;4.53,-6.15,;3.62,-7.4,;4.53,-8.64,;6,-8.17,;7.33,-8.94,;18,-10.47,;19.33,-11.24,)|

N[C@H]1CC[C@H](CCNC(=O)Nc2ccc3nnsc3c2)CC1 |r,wU:4.4,wD:1.0,(39.54,-53.05,;38.2,-53.82,;36.87,-53.05,;35.53,-53.81,;35.54,-55.35,;34.21,-56.12,;32.87,-55.35,;31.54,-56.13,;30.21,-55.36,;30.2,-53.82,;28.87,-56.13,;27.54,-55.36,;27.53,-53.81,;26.2,-53.05,;24.87,-53.82,;23.4,-53.34,;22.49,-54.6,;23.4,-55.84,;24.87,-55.36,;26.2,-56.13,;36.87,-56.12,;38.19,-55.36,)|

O=C(CNc1c(Nc2ccc3nnsc3c2)c(=O)c1=O)c1ccccc1

O=C(NCC(=O)C1CCCCC1)Nc1ccc2nnsc2c1

O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1

O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1

O=C(NCC1CCCCC1)Nc1ccc2nnsc2c1

O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5|

O=C(NCCC1CCCCC1)Nc1ccc2[nH]c(=O)oc2c1

O=C(NCCC1CCCCC1)Nc1ccc2[nH]ncc2c1

O=C(NCCC1CCCCC1)Nc1ccc2cn[nH]c2c1

O=C(NCCC1CCCCC1)Nc1ccc2ncsc2c1

O=C(NCCC1CCCCC1)Nc1ccc2nn[nH]c2c1

O=C(NCCC1CCCCC1)Nc1ccc2nnsc2c1

O=C(NCCC1CCNCC1)Nc1ccc2nnsc2c1

O=C(NCCC1CCOCC1)Nc1ccc2nnsc2c1

O=C(NCCCC1CCNCC1)Nc1ccc2nnsc2c1

O=C(NCCCN1CCOCC1)Nc1ccc2nnsc2c1

O=C(NCCN1CCCC1)Nc1ccc2nnsc2c1

O=C(NCCN1CCCCC1)Nc1ccc2nnsc2c1

O=C(NCCN1CCOCC1)Nc1ccc2nnsc2c1

O=C(NCc1ccc(cc1)C#N)Nc1ccc2nnsc2c1

O=C(NCc1ccccc1)Nc1ccc2nnsc2c1

O=C(NCc1ccccn1)Nc1ccc2nnsc2c1

O=C(NCc1cccnc1)Nc1ccc2nnsc2c1

O=C(NCc1ccncc1)Nc1ccc2nnsc2c1

O=c1c(NCCC2CCCCC2)c(Nc2ccc3nnsc3c2)c1=O

OC(CNC(=O)Nc1ccc2nnsc2c1)C1CCCCC1

OC(CNC(=O)Nc1ccc2nnsc2c1)c1ccc(F)cc1

OC(CNC(=O)Nc1ccc2nnsc2c1)c1ccccc1

OC(CNC(=O)Nc1ccc2nnsc2c1)c1ccccc1F

[O-][N+](=O)c1ccc(CNC(=O)Nc2ccc3nnsc3c2)cc1