clean_smiles
stringlengths 18
103
| id
stringlengths 14
14
| value
float64 -72.94
187
⌀ | scaffold
stringlengths 0
100
|
|---|---|---|---|
C[C@H]1CN(C(=O)C=CBr)C[C@H]1NC(=O)c1cccc(C2CC2)c1 | CP003509323804 | -28.55 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CC(C)OCC(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc(C3CC3(F)F)c2)C1 | CP001824359845 | -27.65 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
O=C(N[C@H]1CCN(CC(Cl)=CCl)C1)c1cccc(C2CC2)c1 | CP003476964999 | -26.46 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CNS(=O)(=O)CCC(=O)N1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 | CP002957968199 | -26.43 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 | CP000086950064 | -26.28 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CC(C(=O)N1CC[C@H](NC(=O)c2cccc(C3(C)CC3)c2)C1)S(N)(=O)=O | CP002960417240 | -25.63 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
COc1ccc(C(=O)N[C@H]2CCN(CC(Cl)=CCl)C2)cc1C1CC1 | CP003130091497 | -24.98 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
C[C@H]1CN(C(=O)C(C)(C)CCCO)C[C@H]1NC(=O)c1cccc(C2(C)CC2)c1 | CP000826352973 | -22.41 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
CC(C)(C(N)=O)C(=O)N1CC[C@H](NC(=O)c2cccc(C3(C)CC3)c2)C1 | CP002960417031 | -22.26 | O=C(N[C@H]1CCNC1)c1cccc(C2CC2)c1 |
COC1CC(CCC(=O)N2CC3(C2)CN(c2nc(C)c(C#N)cc2Cl)C3)C1 | CP001463504790 | -31.73 | O=C(CCC1CCC1)N1CC2(C1)CN(c1ccccn1)C2 |
Cc1cnc(N2CCC[C@@H]2CN(C)C(=O)c2cnoc2-c2cnn(C)c2)nc1C | CP000127376611 | -27.67 | O=C(NC[C@H]1CCCN1c1ncccn1)c1cnoc1-c1cn[nH]c1 |
Cc1n[nH]c(C(=O)N2CCN(C)C(CNC(=O)c3nccnc3N)C2)c1N | CP002034910469 | -27.17 | O=C(NCC1CN(C(=O)c2ccn[nH]2)CCN1)c1cnccn1 |
CCCc1cc(C(=O)N2CCN(C)C(CNC(=O)c3cnc(C)cn3)C2)n(C)n1 | CP000072405899 | -24.58 | O=C(NCC1CN(C(=O)c2ccn[nH]2)CCN1)c1cnccn1 |
CCC(=O)N1CCC(C(=O)N2CCC(NC(=O)c3n[nH]c(C)c3C)C(C)C2)C1 | CP000683737385 | -26.76 | O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1 |
CCC(=O)N1CCC(C(=O)N2CCC(C)(NC(=O)c3n[nH]cc3C)CC2)C1 | CP001789638337 | -24.13 | O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1 |
COc1cc(C(=O)NC2CCN(C(=O)C3(C)CCN(C(C)=O)C3)CC2)nn1C | CP001014304019 | null | O=C(NC1CCN(C(=O)C2CCNC2)CC1)c1cc[nH]n1 |
CC1(C)CN(C(=O)c2cc3n(n2)CCCO3)CC1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 | CP001629104349 | -24.79 | O=C(NC1CCN(C(=O)c2cc3n(n2)CCCO3)C1)[C@@H]1C[C@@H]2C[C@@H]2C1 |
Cc1nccnc1CN1CCC2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1 | CP001385953780 | -41.91 | O=C(c1ccco1)N1CCC2(CCN(Cc3cnccn3)C2)C1 |
O=C(Cc1cccc(F)c1O)N1CC[C@@H](NC(=O)C2(F)CCOCC2)C1 | CP002961230619 | -32.18 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
C[C@@H]1C[C@H](C(=O)N[C@@H]2CCN(C(=O)C(O)c3cc(F)cc(F)c3)C2)C[C@H](C)O1 | CP001195482617 | -30.5 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
N#CCc1ccccc1CC(=O)N1CC[C@@H](NC(=O)C2CCOCC2)C1 | CP002960937194 | -29.66 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CC(C)C1CC(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(O)cc3)C2)CCO1 | CP002264466635 | -28.29 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](NC(=O)C3CCOCC3)C2)cc1 | CP002818227722 | -26.88 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
COC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(C(C)=O)cc3)C2)CCOCC1 | CP000964065989 | -26.45 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CCC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccc(O)c(OC)c3)C2)CCOCC1 | CP000963718297 | -24.99 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
COC1(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C2)CCOCC1 | CP002818241186 | -24.82 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
COc1cccc(OC)c1CC(=O)N1CC[C@@H](NC(=O)C2(C)CCOCC2)C1 | CP001194307057 | -24.55 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CC(C(=O)N1CC[C@@H](NC(=O)C2(C#N)CCOCC2)C1)c1ccccc1 | CP002819440846 | -24.41 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CCc1ccc(CC(=O)N2CC[C@@H](NC(=O)C3(C)CC(C)OC(C)C3)C2)cc1 | CP001194056227 | -23.69 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CCC1(C(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)CCOCC1 | CP002817851660 | -21.5 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H](NC(=O)C2CCOC(C)C2)C1 | CP000963717460 | -17.06 | O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)C1CCOCC1 |
CC1OCCCC1C(=O)N1CCOC2(CCN(c3ccncc3C#N)CC2)C1 | CP000413123806 | -20.89 | O=C(C1CCCOC1)N1CCOC2(CCN(c3ccncc3)CC2)C1 |
CNC(=O)NCCC(=O)NCC(F)=C1CN(C(=O)CCCc2ccsc2)C1 | CP001770585521 | -32.86 | C=C1CN(C(=O)CCCc2ccsc2)C1 |
Cc1nnc(N2CC(NC(=O)C(C)(O)C3CCC3)CCC2C)nc1C | CP002406068949 | -22.08 | O=C(CC1CCC1)NC1CCCN(c2nccnn2)C1 |
CNC(=O)c1cc(C)nc(N2CCN(C(=O)CCCc3ccccn3)C[C@@H]2C)n1 | CP000279403442 | -25 | O=C(CCCc1ccccn1)N1CCN(c2ncccn2)CC1 |
Cc1cn2nc(N3CCC4(CC(NC(=O)C5CCC6CC6C5)C4)C3)sc2n1 | CP001396695038 | -22.73 | O=C(NC1CC2(CCN(c3nn4ccnc4s3)C2)C1)C1CCC2CC2C1 |
CC1(C(=O)N2CCCCC(C3CN(C(=O)CC4CCC(O)C4)C3)C2)COC1 | CP002139178176 | -27.32 | O=C(CC1CCCC1)N1CC(C2CCCCN(C(=O)C3COC3)C2)C1 |
CCC1(C(=O)N2CCCCC(C3CN(C(=O)CC4CCC(O)C4)C3)C2)COC1 | CP000785685152 | -21.75 | O=C(CC1CCCC1)N1CC(C2CCCCN(C(=O)C3COC3)C2)C1 |
Clc1ccc(OCc2nnc(NCc3cscn3)s2)cc1 | CP002548692757 | -31.26 | c1ccc(OCc2nnc(NCc3cscn3)s2)cc1 |
O=C(CC1NC(=O)NC1=O)NC1CCC(NC(=O)c2c[nH]c3ccccc23)CC1 | CP000363125742 | -24.77 | O=C(CC1NC(=O)NC1=O)NC1CCC(NC(=O)c2c[nH]c3ccccc23)CC1 |
COCc1nc(OC)cc(N2CCC(NC(=O)c3c[nH]c(C)c3)C23CCCC3)n1 | CP000284170431 | -28.87 | O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1 |
Cc1cn(C)cc1C(=O)NC1CCN(c2cc(OC(C)C)ncn2)C12CCCC2 | CP000284177190 | -26.01 | O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1 |
CCc1c[nH]cc1C(=O)NC1CCN(c2cc(O)ncn2)C12CCCC2 | CP002217757926 | -25.51 | O=C(NC1CCN(c2ccncn2)C12CCCC2)c1cc[nH]c1 |
O=C(Nc1ccc2c(c1)CCCC2=O)C1=NOC(c2ccccc2)C1 | CP001222217241 | -37.61 | O=C(Nc1ccc2c(c1)CCCC2=O)C1=NOC(c2ccccc2)C1 |
CC1C(NC(=O)C(C)(C)C2CC2)CCCN1C(=O)c1cnn2c1CCCC2 | CP001624437633 | -28.31 | O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1 |
CC1(NC(=O)CC2CC2(C)C)CCCN(C(=O)c2cnn3c2CCCC3)C1 | CP002039891361 | -26.78 | O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1 |
CN(C(=O)C(O)C1CC1)C1CCCN(C(=O)c2cnn3c2CCCC3)C1 | CP002873653878 | -22.52 | O=C(CC1CC1)NC1CCCN(C(=O)c2cnn3c2CCCC3)C1 |
Cc1cc(C(=O)N2CC3(C2)CN(C(=O)c2ccc4c(c2)C(=O)NC4)C3)co1 | CP001774040491 | -18.59 | O=C1NCc2ccc(C(=O)N3CC4(CN(C(=O)c5ccoc5)C4)C3)cc21 |
O=C1CC(C(=O)N2CCCCC(NC(=O)c3ccc4c(c3)CC4)C2)C2(CCC2)C1 | CP000159672839 | null | O=C1CC(C(=O)N2CCCCC(NC(=O)c3ccc4c(c3)CC4)C2)C2(CCC2)C1 |
Cc1nnc(N2CCCC(CNC(=O)CCCc3cccs3)CC2)o1 | CP002465986523 | -24.99 | O=C(CCCc1cccs1)NCC1CCCN(c2nnco2)CC1 |
CCn1cnnc1C(=O)N1CC(N(C)C(=O)c2c(Cl)ccc3cn[nH]c23)C1 | CP002019708767 | -27.47 | O=C(NC1CN(C(=O)c2nnc[nH]2)C1)c1cccc2cn[nH]c12 |
COC(Cn1c(C2CCCC2)nnc1N1CCOC2(CCOC2C)C1)C1CC1 | CP000479908335 | -22.12 | C1CCC(c2nnc(N3CCOC4(CCOC4)C3)n2CCC2CC2)C1 |
CC(C)N1CC(C(=O)N(CCCNC(=O)c2ccsc2)C2CC2)CC1=O | CP002742222404 | -23.36 | O=C1CC(C(=O)N(CCCNC(=O)c2ccsc2)C2CC2)CN1 |
CCC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3(OC)CCCCC3)C2)C1 | CP002151866427 | -25.21 | O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1 |
CC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3CCC(NC(N)=O)CC3)C2)C1 | CP000942457712 | -19.77 | O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1 |
CC1=NOC(C(=O)N[C@H]2CCCCN(C(=O)C3(C)CCCCC3(F)F)C2)C1 | CP002151863821 | null | O=C(N[C@H]1CCCCN(C(=O)C2CCCCC2)C1)C1CC=NO1 |
CC(C)c1nnc(C=CC(=O)NCC2CCN2C(=O)C2CCCC(F)(F)C2)o1 | CP001252594643 | -22.85 | O=C(C=Cc1nnco1)NCC1CCN1C(=O)C1CCCCC1 |
CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)c2cncn2C)[nH]1 | CP003026188667 | -24.61 | O=C(NC[C@H]1CCCN1C(=O)c1ccc[nH]1)c1cnc[nH]1 |
COC(=O)c1cnc(NCCC2CCN(C(=O)C3(C)CCCOC3)C2)cn1 | CP001437737840 | -29.93 | O=C(C1CCCOC1)N1CCC(CCNc2cnccn2)C1 |
CCCN(CCNC(=O)c1ccc(C2CC2)cc1)C(=O)C=Cc1ncc[nH]1 | CP002077804878 | -60.37 | O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1 |
Cc1c[nH]c(C=CC(=O)NCCN(C)C(=O)c2ccc(C3CC3)cc2)n1 | CP002890679442 | -28.14 | O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1 |
CCCN(CCNC(=O)C=Cc1nc(C)c[nH]1)C(=O)c1ccc(C2CC2)cc1 | CP001070385348 | -25.4 | O=C(C=Cc1ncc[nH]1)NCCNC(=O)c1ccc(C2CC2)cc1 |
CC1(C(=O)NCC2CCN2C(=O)c2cccc3c2NCCC3)CCCCNC1=O | CP000177367568 | -32.23 | O=C1NCCCCC1C(=O)NCC1CCN1C(=O)c1cccc2c1NCCC2 |
Cc1nc(C)c(CC(=O)N2CCC(NC(=O)C(C)N3CCC3)CC2)c(=O)[nH]1 | CP001961457679 | -43.96 | O=C(CN1CCC1)NC1CCN(C(=O)Cc2cnc[nH]c2=O)CC1 |
N[C@@H](COCc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 | CP000405033810 | -31.22 | O=C(CCOCc1ccccc1)Nc1cccc(C(=O)N2CCSCC2)c1 |
CCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1CCCC1C | CP003488547732 | -42.74 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
COC1(C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CCCC1 | CP003490001670 | -41.82 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCCN(CCNC(=O)[C@@H]1CCCN1C)C(=O)C1CCCC1CC | CP003465706369 | -40.57 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(C)CC(CNC(=O)[C@@H]1CCCN1C)NC(=O)C1(O)CCCC1 | CP003436210374 | -38.43 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC1CCC(C(=O)NC[C@H](C)NC(=O)[C@@H]2CCCN2C)C1 | CP001301916579 | -34.85 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCC1CCCC1C(=O)N(C)CC(C)NC(=O)[C@@H]1CCCN1CC(F)(F)F | CP002195799539 | -23.21 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NC(=O)C1CCC(F)C1 | CP003501609617 | -22.93 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(=O)N1CCC[C@H]1C(=O)NCC(C)NC(=O)C1CCCC1 | CP003486196838 | -21.58 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
C=CCC1(C(=O)NC[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)CCCC1 | CP002760626519 | -21.54 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCCCC(CNC(=O)C1(O)CCCC1)NC(=O)[C@@H]1CCCN1C(C)=O | CP002671485490 | -21.34 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(=O)N1CCC[C@H]1C(=O)NCCN(C)C(=O)C1CCCC1 | CP003489427345 | -21.28 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C1CCC(C)C1 | CP003501652470 | -20.92 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCC1CCCC1(C)C(=O)NCCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O | CP003259014095 | -20.5 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(=O)N1CCC[C@H]1C(=O)NC(CNC(=O)C1CCCC1)C(C)C | CP003437431802 | -20.38 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(CN(C)C(=O)C1(C#N)CCCC1)NC(=O)[C@@H]1CCCN1CC(F)(F)F | CP002195799648 | -18.09 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCC1CCCC1(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O | CP002940933068 | -15.11 | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
COCCN(CCNC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1(C)CCC(C)C1 | CP000580739370 | null | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C(C)CNC(=O)C1(CC(C)C)CCCC1 | CP001038463772 | null | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CCOCCC1(C(=O)N(CC)CCNC(=O)[C@@H]2CCCN2C(C)=O)CCCC1 | CP001062023303 | null | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
C=CCC1(C(=O)N(C)CCN(C)C(=O)[C@@H]2CCCN2C)CCCC1 | CP003438998099 | null | O=C(NCCNC(=O)[C@@H]1CCCN1)C1CCCC1 |
CC1CC1C1CC1C(=O)N(C)CC1COCCN1C(=O)C(C)N1CCOCC1 | CP000585895729 | -25.25 | O=C(NCC1COCCN1C(=O)CN1CCOCC1)C1CC1C1CC1 |
CC(C)c1nsc(CN2CCC2CNC(=O)C2C3CCCC32)n1 | CP003349156304 | -30.41 | O=C(NCC1CCN1Cc1ncns1)C1C2CCCC21 |
CN1CCC(C(=O)N(C)C[C@@H]2CCCCN2C(=O)c2nnn3ccccc23)C1=O | CP000008586563 | -31.26 | O=C1NCCC1C(=O)NC[C@@H]1CCCCN1C(=O)c1nnn2ccccc12 |
Cn1c(NCc2cn(CC3CC3)nn2)nc2ccc(Br)cc21 | CP001665074618 | -52.76 | c1ccc2[nH]c(NCc3cn(CC4CC4)nn3)nc2c1 |
CCOC(=O)c1cc(C)nnc1NC1CCCC(NC(=O)c2ccncc2)C1 | CP000503848473 | -26.52 | O=C(NC1CCCC(Nc2cccnn2)C1)c1ccncc1 |
CC(CCNC(=O)CNC(=O)c1ccccn1)N(C)C(=O)Cc1cscn1 | CP001723179432 | -23.21 | O=C(CNC(=O)c1ccccn1)NCCCNC(=O)Cc1cscn1 |
CCCn1nnnc1CN1CCC(NC(=O)Cc2c(C)cc(C)[nH]c2=O)CC1 | CP000496367613 | -25.31 | O=C(Cc1ccc[nH]c1=O)NC1CCN(Cc2nnn[nH]2)CC1 |
CC(=Cc1ccc(F)cc1)C(=O)N1C[C@]2(C)CSC[C@]2(C)C1 | CP001676703689 | -19.11 | O=C(C=Cc1ccccc1)N1CC2CSCC2C1 |
CC1CC2(C)CC(C)(C1)CC(C(=O)O)(n1nnc(C3CN4CCC3CC4)n1)C2 | CP000243242783 | -15.66 | C1CC2CC(C1)CC(n1nnc(C3CN4CCC3CC4)n1)C2 |
O=C1CCC(CC(=O)NC2CCCN(C(=O)c3cn(CCO)nn3)C2)CN1 | CP001976289105 | -22.53 | O=C1CCC(CC(=O)NC2CCCN(C(=O)c3c[nH]nn3)C2)CN1 |
COC(=O)c1cc(NC(=O)NCc2cccc(N3CCCC3=O)c2)c(C)cc1C | CP000060038907 | -32.02 | O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccccc1 |
CC(C)Oc1ccc(NC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 | CP000521892322 | -29.16 | O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccccc1 |
CC1(C)NC(=O)N(CC(=O)NC2CCN(c3ccccc3C(F)(F)F)C2)C1=O | CP000403905191 | -23.73 | O=C(CN1C(=O)CNC1=O)NC1CCN(c2ccccc2)C1 |
CN(CCC1CCN(C(=O)C2(O)COC2)CC1)C(=O)Cc1ccnc(N)c1 | CP002089586619 | -48.29 | O=C(Cc1ccncc1)NCCC1CCN(C(=O)C2COC2)CC1 |
O=C(Cc1ccncc1Cl)NCCC1CCN(C(=O)C2(CO)COC2)CC1 | CP001941145204 | -20.6 | O=C(Cc1ccncc1)NCCC1CCN(C(=O)C2COC2)CC1 |
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