Compound Name

SMILES String

CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O

Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|

OC(=O)C(CS)C1CCCNC1 |w:3.3,6.6|

NC(=N)N1CCCC(C1)C(CS)C(O)=O |w:9.10,7.6|

OC(=O)C(CS)CC1CCCNC1 |w:7.6,3.5|

[#7]\[#6](-[#7])=[#7]\c1cccc(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O

NC(=N)c1ccc(cc1)C(CS)C(O)=O |w:9.10|

NCC(=O)N1CCC(CC1)C(CS)C(O)=O |w:10.11|

[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#6]-[#16])-[#6](-[#8])=O

CC(=N)N1CCC(CC1)C(CS)C(O)=O

OC(=O)C(CS)CC1CCNCC1 |w:3.5|

[#7]\[#6](-[#7])=[#7]\c1ccc(Cl)c(c1)-[#6](-[#6]-[#16])-[#6](-[#8])=O

Nc1cccc(c1)C(CS)C(O)=O |w:7.8|

NC(=N)N1CCC(CC1)C(CS)C(O)=O |w:9.10|

OC(=O)C(CS)C1CCNCC1 |w:3.3|

NCCN[C@@H](Cc1cnc[nH]1)C(O)=O

CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O

CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O

NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O |r|

NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O |r|

NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O |(12.03,-18.01,;11.64,-19.5,;10.15,-19.91,;9.76,-21.4,;8.28,-21.8,;8.28,-20.26,;6.95,-19.48,;5.61,-20.25,;5.62,-21.8,;6.95,-22.56,;4.15,-22.29,;3.24,-21.04,;4.14,-19.78,;3.66,-18.32,;4.68,-17.17,;4.2,-15.71,;5.22,-14.56,;4.74,-13.1,;3.23,-12.78,;2.2,-13.93,;2.68,-15.4,;2.75,-11.32,;3.78,-10.18,;3.31,-8.72,;1.8,-8.39,;.77,-9.54,;1.25,-11.01,;9.04,-23.13,;8.26,-24.46,;10.58,-23.14,)|

NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O

CCc1cnc2CC(CCCN)(CCn12)C(O)=O

NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O |r|

NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O |r|

[H][C@]1(NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)[C@@H](C)CC |r|

CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|