mirror of
https://github.com/RYDE-WORK/lnp_ml.git
synced 2026-10-01 13:25:46 +08:00
327 lines
12 KiB
JSON
327 lines
12 KiB
JSON
{
|
|
"items": [
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O",
|
|
"cationic_lipid_to_mrna_ratio": 7.46,
|
|
"cationic_lipid_mol_ratio": 37.58,
|
|
"phospholipid_mol_ratio": 23.5,
|
|
"cholesterol_mol_ratio": 36.53,
|
|
"peg_lipid_mol_ratio": 2.39,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCC)=O)CCNC(CCC(NCC1=CC=C(B(O)O)C=C1)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 16.82,
|
|
"cationic_lipid_mol_ratio": 50.09,
|
|
"phospholipid_mol_ratio": 13.01,
|
|
"cholesterol_mol_ratio": 33.14,
|
|
"peg_lipid_mol_ratio": 3.76,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCN([C@H](C(NCCCN(CCCCCCOC(CCCCCCC)=O)CCCCCCOC(CCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCC)=O)CCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 9.92,
|
|
"cationic_lipid_mol_ratio": 46.82,
|
|
"phospholipid_mol_ratio": 16.37,
|
|
"cholesterol_mol_ratio": 33.48,
|
|
"peg_lipid_mol_ratio": 3.33,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCN([C@H](C(NCCCCCCN(CCCCCCOC(CCCCC)=O)CCCCCCOC(CCCCC)=O)=O)CO)CCCCCCOC(CCCCC)=O)CCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 10.73,
|
|
"cationic_lipid_mol_ratio": 36.31,
|
|
"phospholipid_mol_ratio": 23.42,
|
|
"cholesterol_mol_ratio": 35.49,
|
|
"peg_lipid_mol_ratio": 4.78,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=NC=CS1)CC2=NC=CS2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O",
|
|
"cationic_lipid_to_mrna_ratio": 19.35,
|
|
"cationic_lipid_mol_ratio": 51.39,
|
|
"phospholipid_mol_ratio": 10.87,
|
|
"cholesterol_mol_ratio": 35.21,
|
|
"peg_lipid_mol_ratio": 2.53,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCC)=O)CCCN1CCOCC1",
|
|
"cationic_lipid_to_mrna_ratio": 17.21,
|
|
"cationic_lipid_mol_ratio": 46.17,
|
|
"phospholipid_mol_ratio": 19.64,
|
|
"cholesterol_mol_ratio": 31.96,
|
|
"peg_lipid_mol_ratio": 2.23,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCCC(OCCCCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCOC([C@@H](N(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)CO)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 10.34,
|
|
"cationic_lipid_mol_ratio": 44.28,
|
|
"phospholipid_mol_ratio": 17.74,
|
|
"cholesterol_mol_ratio": 34.79,
|
|
"peg_lipid_mol_ratio": 3.19,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCN([C@H](C(NCCN(C)CCN(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)=O)CO)CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCCCC=C",
|
|
"cationic_lipid_to_mrna_ratio": 9.15,
|
|
"cationic_lipid_mol_ratio": 42.88,
|
|
"phospholipid_mol_ratio": 10.3,
|
|
"cholesterol_mol_ratio": 43.76,
|
|
"peg_lipid_mol_ratio": 3.06,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CC(CNC([C@@H](N(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)CO)=O)(CN(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)C",
|
|
"cationic_lipid_to_mrna_ratio": 10.12,
|
|
"cationic_lipid_mol_ratio": 49.74,
|
|
"phospholipid_mol_ratio": 12.42,
|
|
"cholesterol_mol_ratio": 35.63,
|
|
"peg_lipid_mol_ratio": 2.21,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(NCCN(CCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)CCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)CCCN",
|
|
"cationic_lipid_to_mrna_ratio": 19.72,
|
|
"cationic_lipid_mol_ratio": 32.8,
|
|
"phospholipid_mol_ratio": 25.26,
|
|
"cholesterol_mol_ratio": 38.21,
|
|
"peg_lipid_mol_ratio": 3.73,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN1CC(C(OC)=O)CC1=O)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O",
|
|
"cationic_lipid_to_mrna_ratio": 13.7,
|
|
"cationic_lipid_mol_ratio": 43.91,
|
|
"phospholipid_mol_ratio": 21.35,
|
|
"cholesterol_mol_ratio": 31.92,
|
|
"peg_lipid_mol_ratio": 2.82,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCCCOC(CCN([C@H](C(NCCCCCCN(CCC(OCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCC)=O)=O)CO)CCC(OCCCCCCCCCCCC)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 10.47,
|
|
"cationic_lipid_mol_ratio": 32.49,
|
|
"phospholipid_mol_ratio": 24.48,
|
|
"cholesterol_mol_ratio": 40.96,
|
|
"peg_lipid_mol_ratio": 2.07,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C([C@H](CO)N(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)N(CC1)CCN1C2=NC=CC=N2",
|
|
"cationic_lipid_to_mrna_ratio": 12.86,
|
|
"cationic_lipid_mol_ratio": 51.8,
|
|
"phospholipid_mol_ratio": 19.97,
|
|
"cholesterol_mol_ratio": 25.07,
|
|
"peg_lipid_mol_ratio": 3.16,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(CN(CC(O)CCCCCCCC)CC(O)CCCCCCCC)NCCCN(CC(O)CCCCCCCC)CC(O)CCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 18.73,
|
|
"cationic_lipid_mol_ratio": 45.45,
|
|
"phospholipid_mol_ratio": 13.35,
|
|
"cholesterol_mol_ratio": 38.13,
|
|
"peg_lipid_mol_ratio": 3.07,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCCC(OCCCCCCN(CCN(C)CCNC([C@@H](N(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)CO)=O)CCCCCCOC(CCCCCCCCCCC)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 10.09,
|
|
"cationic_lipid_mol_ratio": 37.43,
|
|
"phospholipid_mol_ratio": 11.94,
|
|
"cholesterol_mol_ratio": 45.78,
|
|
"peg_lipid_mol_ratio": 4.85,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "OC[C@@H](C(NCCCCCCN(CC(O)CCCCCCCCCC)CC(O)CCCCCCCCCC)=O)N(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O",
|
|
"cationic_lipid_to_mrna_ratio": 13.05,
|
|
"cationic_lipid_mol_ratio": 52.84,
|
|
"phospholipid_mol_ratio": 8.6,
|
|
"cholesterol_mol_ratio": 37.06,
|
|
"peg_lipid_mol_ratio": 1.5,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCCCC)=O)CCNC(C[C@@H](CN)CC(C)C)=O",
|
|
"cationic_lipid_to_mrna_ratio": 11.09,
|
|
"cationic_lipid_mol_ratio": 48.25,
|
|
"phospholipid_mol_ratio": 14.52,
|
|
"cholesterol_mol_ratio": 32.66,
|
|
"peg_lipid_mol_ratio": 4.57,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC/C=C\\C/C=C\\CCCCC)CCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCNC(CCC(NCCC1=CC=C(O)C(O)=C1)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 19.63,
|
|
"cationic_lipid_mol_ratio": 31.98,
|
|
"phospholipid_mol_ratio": 25.5,
|
|
"cholesterol_mol_ratio": 40.57,
|
|
"peg_lipid_mol_ratio": 1.95,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(NCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC)[C@H](C)N(CCCCCCCCCCCC)CCCCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 16.96,
|
|
"cationic_lipid_mol_ratio": 28.21,
|
|
"phospholipid_mol_ratio": 28.57,
|
|
"cholesterol_mol_ratio": 39.51,
|
|
"peg_lipid_mol_ratio": 3.71,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CCC(F)(F)F)CCC(F)(F)F)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O",
|
|
"cationic_lipid_to_mrna_ratio": 19.73,
|
|
"cationic_lipid_mol_ratio": 37.62,
|
|
"phospholipid_mol_ratio": 22.08,
|
|
"cholesterol_mol_ratio": 36.42,
|
|
"peg_lipid_mol_ratio": 3.88,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCC(CN(CCCNC([C@@H](N(CC(CCCCCCCC)O)CC(CCCCCCCC)O)CO)=O)CC(CCCCCCCC)O)O",
|
|
"cationic_lipid_to_mrna_ratio": 15.62,
|
|
"cationic_lipid_mol_ratio": 51.29,
|
|
"phospholipid_mol_ratio": 27.02,
|
|
"cholesterol_mol_ratio": 18.83,
|
|
"peg_lipid_mol_ratio": 2.86,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C([C@H](CO)N(CCCCCCOC(CCCCCCCCC=C)=O)CCCCCCOC(CCCCCCCCC=C)=O)N(CC1)CCN1C2=NC=CC=N2",
|
|
"cationic_lipid_to_mrna_ratio": 14.57,
|
|
"cationic_lipid_mol_ratio": 38.85,
|
|
"phospholipid_mol_ratio": 18.16,
|
|
"cholesterol_mol_ratio": 40.17,
|
|
"peg_lipid_mol_ratio": 2.82,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "CCCCCCCCCCCC(OCCCCCCN([C@H](C(NCCCCCCN(CCCCCCOC(CCCCCCCCCCC)=O)CCCCCCOC(CCCCCCCCCCC)=O)=O)CO)CCCCCCOC(CCCCCCCCCCC)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 17.0,
|
|
"cationic_lipid_mol_ratio": 41.61,
|
|
"phospholipid_mol_ratio": 21.12,
|
|
"cholesterol_mol_ratio": 35.9,
|
|
"peg_lipid_mol_ratio": 1.37,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCCCCCC)CCN(CCC(OCCCCCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCCCCCC)=O)CCC(OCCCCCCCCCCCC)=O)CCN1CCOCC1",
|
|
"cationic_lipid_to_mrna_ratio": 12.75,
|
|
"cationic_lipid_mol_ratio": 31.73,
|
|
"phospholipid_mol_ratio": 29.19,
|
|
"cholesterol_mol_ratio": 37.55,
|
|
"peg_lipid_mol_ratio": 1.53,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(CN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)NCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 19.09,
|
|
"cationic_lipid_mol_ratio": 41.63,
|
|
"phospholipid_mol_ratio": 16.23,
|
|
"cholesterol_mol_ratio": 39.43,
|
|
"peg_lipid_mol_ratio": 2.71,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCCCN(CCCCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC(CCC(NCCC1=CC=C(O)C(O)=C1)=O)=O",
|
|
"cationic_lipid_to_mrna_ratio": 16.96,
|
|
"cationic_lipid_mol_ratio": 34.46,
|
|
"phospholipid_mol_ratio": 28.65,
|
|
"cholesterol_mol_ratio": 32.06,
|
|
"peg_lipid_mol_ratio": 4.83,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O)CCNC([C@@H](N)CCCCN)=O",
|
|
"cationic_lipid_to_mrna_ratio": 14.76,
|
|
"cationic_lipid_mol_ratio": 34.58,
|
|
"phospholipid_mol_ratio": 25.73,
|
|
"cholesterol_mol_ratio": 35.03,
|
|
"peg_lipid_mol_ratio": 4.66,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(CN(CCCCCCCCCCCC)CCCCCCCCCCCC)NCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 7.01,
|
|
"cationic_lipid_mol_ratio": 42.86,
|
|
"phospholipid_mol_ratio": 23.71,
|
|
"cholesterol_mol_ratio": 30.73,
|
|
"peg_lipid_mol_ratio": 2.7,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCN(CC1=COC=N1)CC2=COC=N2)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O",
|
|
"cationic_lipid_to_mrna_ratio": 7.11,
|
|
"cationic_lipid_mol_ratio": 43.3,
|
|
"phospholipid_mol_ratio": 22.32,
|
|
"cholesterol_mol_ratio": 31.55,
|
|
"peg_lipid_mol_ratio": 2.83,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC)CCN(CCC(OCCCCCCCC)=O)CCCCN(CCNC(CCCN)=O)CCCCN(CCC(OCCCCCCCC)=O)CCC(OCCCCCCCC)=O",
|
|
"cationic_lipid_to_mrna_ratio": 18.85,
|
|
"cationic_lipid_mol_ratio": 45.22,
|
|
"phospholipid_mol_ratio": 17.28,
|
|
"cholesterol_mol_ratio": 33.01,
|
|
"peg_lipid_mol_ratio": 4.49,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
},
|
|
{
|
|
"smiles": "O=C(CN(CCCCCCCCCC)CCCCCCCCCC)NCCCN(CCCCCCCCCC)CCCCCCCCCC",
|
|
"cationic_lipid_to_mrna_ratio": 10.74,
|
|
"cationic_lipid_mol_ratio": 38.47,
|
|
"phospholipid_mol_ratio": 25.72,
|
|
"cholesterol_mol_ratio": 32.81,
|
|
"peg_lipid_mol_ratio": 3.0,
|
|
"helper_lipid": "DOPE",
|
|
"route": "intravenous"
|
|
},
|
|
{
|
|
"smiles": "O=C(OCCCCCCCC/C=C\\C/C=C\\CCCCC)CCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCCCN(CCCCN(CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCC(OCCCCCCCC/C=C\\C/C=C\\CCCCC)=O)CCNC(CCCN)=O",
|
|
"cationic_lipid_to_mrna_ratio": 17.44,
|
|
"cationic_lipid_mol_ratio": 42.07,
|
|
"phospholipid_mol_ratio": 17.36,
|
|
"cholesterol_mol_ratio": 36.89,
|
|
"peg_lipid_mol_ratio": 3.68,
|
|
"helper_lipid": "DSPC",
|
|
"route": "intramuscular"
|
|
}
|
|
],
|
|
"batch_size": 32,
|
|
"use_llm": true
|
|
}
|