SANC00875 1-Hydroxy-2-methylanthraquinone




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-1259829577 1 O=C1C2C=C(C)C(C)=C(O)C=2C(C2C=CC=CC=21)=O
MCULE-1726526706 1 C1=CC2C(=O)C3C(O)=C(C)C=CC=3C(=O)C=2C=C1
MCULE-8938401547 1 O=C1C2C=C(C)C=C(O)C=2C(C2C=CC=CC=21)=O
MolPort-044-754-028 1 CN1C2CC(CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-506-902 1 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-005-938-576 1 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-044-754-028 1 CN1C2CC(CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-027-835-539 0.99 [Br-].CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-765-987 0.99 [Br-].CCC[N@@+]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-758-227 0.99 Br.CN1C2CC(CC1[C@H]1OC21)OC(=O)C(CO)c1ccccc1
MolPort-046-033-499 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-140-207 0.99 Cl.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-003-983-417 0.99 [Br-].CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-648 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-648 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-690-943 0.99 Br.[2H]C([2H])([2H])N1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-052-331 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-039-052-331 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)c1ccccc1
MolPort-003-983-455 0.99 Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-038-942-545 0.99 O.O.O.Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-006-126-037 0.99 [Br-].CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-006-111-080 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-027-835-539 0.99 [Br-].CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-016-633-266 0.99 [Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-035-783-543 0.99 O.O.O.Br.CN1C2C[C@@H](C[C@H]1[C@H]1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-035-783-543 0.99 O.O.O.Br.CN1C2C[C@@H](C[C@H]1[C@H]1OC21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-690-943 0.99 Br.[2H]C([2H])([2H])N1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-033-499 0.99 [Br-].CCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-038-942-545 0.99 O.O.O.Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
MolPort-046-765-987 0.99 [Br-].CCC[N@@+]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MCULE-5315502864 0.98 C12C(O)=C(C)C(=C(O)C=1C(C1C=CC=CC=1C2=O)=O)C
MCULE-5296458901 0.98 C1=C(O)C2C(C3C(O)=CC(C)=CC=3C(C=2C=C1)=O)=O
MolPort-046-418-823 0.98 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-338-409 0.98 OCC(C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-046-765-988 0.98 OC[C@@H](C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1
MolPort-046-690-676 0.98 OC[C@@H](C(=O)OC1C[C@H]2N[C@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-039-338-409 0.98 OCC(C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-046-765-988 0.98 OC[C@@H](C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1
MolPort-009-680-770 0.98 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-823 0.98 [Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-690-676 0.98 OC[C@@H](C(=O)OC1C[C@H]2N[C@H](C1)[C@@H]1O[C@H]21)c1ccccc1
MolPort-046-688-734 0.95 Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-046-761-660 0.95 Br.CN1C2CC(CC1C1OC21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-046-688-734 0.95 Br.CN1[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MolPort-046-761-660 0.95 Br.CN1C2CC(CC1C1OC21)OC(=O)[C@H](COC(C)=O)c1ccccc1
MCULE-3919628835 0.94 C1=CC2C(=O)C3C=C(C)C(O)=C(O)C=3C(=O)C=2C=C1
MCULE-1554674116 0.92 C12C=CC(O)=CC=1C(=O)C1C=C(O)C(C)=C(O)C=1C2=O
MCULE-1867080462 0.92 OC1=CC2=C(C(=O)C3=CC=CC=C3C2=O)C(O)=C1C
MolPort-002-932-970 0.92 C[N+]1(C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-002-507-372 0.92 CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-044-754-024 0.92 CN1C2CC(O)C1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-003-855-410 0.92 CN1C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-002-935-596 0.92 CC[N@@+]1(C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-754-024 0.92 CN1C2CC(O)C1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MCULE-1083063386 0.91 C12C(=O)C3C=C(O)C=C(O)C=3C(=O)C1=C(O)C=C(C)C=2
MolPort-009-653-450 0.91 Cl.CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-009-758-160 0.91 Br.CN1[C@H]2C[C@@H](O)[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
MCULE-9035118732 0.90 C1=CC2C(=O)C3C(O)=C(CO)C=CC=3C(=O)C=2C=C1
MCULE-5739975630 0.89 C1=CC2C(=O)C3C=C(C)C(O)=CC=3C(=O)C=2C=C1
MolPort-046-764-785 0.89 CN1(=O)[C@@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-764-785 0.89 CN1(=O)[C@@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1
MCULE-6965338444 0.88 C12C(O)=CC(=CC=1C(=O)C1=C(C(=CC=C1)O)C2=O)CO
MCULE-2999506154 0.88 C12C(C)=C(O)C(=CC=1C(C1=CC=CC=C1C2=O)=O)C
MCULE-1289124194 0.88 C1(=O)C2C=CC=C(O)C=2C(C2=CC=CC(O)=C12)=O
MCULE-8559162827 0.88 C12C=C(CC)C(=CC=1C(C1C=CC=CC=1C2=O)=O)O
MCULE-6359940891 0.88 C1(=O)C2C=CC=CC=2C(C2C=CC=C(O)C1=2)=O
MolPort-039-337-900 0.88 Br.C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-702-017 0.88 Br.C[N]1([O])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-600 0.88 Br.C[N]1(O)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-337-900 0.88 Br.C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-600 0.88 Br.C[N]1(O)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-702-017 0.88 Br.C[N]1([O])[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
MCULE-9512575507 0.87 C12C(O)=C3C=CC(=CC3=CC=1C(=O)C1=C(C(=CC=C1)O)C2=O)CC
MCULE-7746200733 0.87 OC1=C2C(CC3=C(C2=O)C=CC=C3)=CC=C1
MCULE-5800615690 0.87 C1(=O)C2C(=CC=CC=2C(C2=CC=CC(O)=C12)=O)O
MCULE-3130863142 0.87 C12C(O)=CC=C(O)C=1C(C1C=CC=CC=1C2=O)=O
MCULE-5033815757 0.87 C12C(O)=C3C=CC=CC3=CC=1C(=O)C1=C(C=CC=C1)C2=O
MCULE-1866414443 0.86 O=C1C2C=CC(CC=C)=C(O)C=2C(C2C=CC=CC=21)=O
MCULE-3738923041 0.86 C12C(O)=C(C=CC=1C(=O)C1=C(C=CC=C1)C2=O)C(O)=O
MolPort-006-392-363 0.86 CN1C2CC(CC1C1OC21)OC(=O)C(=C)c1ccccc1
MolPort-046-688-569 0.86 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-046-688-569 0.86 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MCULE-2592383590 0.85 C12C(O)=C3C=CC=CC3=C(O)C=1C(C1C=CC=CC=1C2=O)=O
MCULE-1248137705 0.85 C12C(O)=CC(=CC=1C(=O)C1=C(C(=CC=C1)O)C2=O)C(O)=O
MCULE-8492759735 0.85 C1(=O)C2C(=CC=CC=2CC2C=CC=C(O)C1=2)O
MCULE-7232642933 0.85 C12C(O)=CC=C(O)C=1C(C1C(=CC=C(O)C=1C2=O)O)=O
MolPort-006-392-364 0.85 Cl.CN1C2CC(CC1C1OC21)OC(=O)C(=C)c1ccccc1
MolPort-046-764-844 0.85 [Br-].CCCC[N@@]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-046-764-844 0.85 [Br-].CCCC[N@@]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)c1ccccc1
MolPort-000-703-604 0.85 [Br-].C[N+]1(CC#C)C2CC(O)C1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-757-618 0.85 [Br-].C[N+]1(CC#C)[C@H]2CC(O)[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-653-413 0.84 O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-764-784 0.84 CCCCC.C[NH+]1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-006-167-542 0.84 CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-947-665 0.84 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-598-119 0.84 CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-418-594 0.84 C.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-446 0.84 CN1C2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-002-526-644 0.84 CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-035-675-645 0.84 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-763-652 0.84 [2H]c1c([2H])c([2H])c(C(CO)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c([2H])c1[2H]
MolPort-046-764-851 0.84 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)(CO)c1ccccc1
MolPort-046-765-156 0.84 CC(C)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-343-880 0.84 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-183-446 0.84 CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-764-784 0.84 CCCCC.C[NH+]1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-039-343-880 0.84 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-764-851 0.84 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)(CO)c1ccccc1
MolPort-046-763-652 0.84 [2H]c1c([2H])c([2H])c(C(CO)C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c([2H])c1[2H]
MolPort-046-765-156 0.84 CC(C)N1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-598-119 0.84 CCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-183-446 0.84 CC(C)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-446 0.84 CN1C2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-035-675-645 0.84 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-046-418-594 0.84 C.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MCULE-4376533567 0.83 C12C(O)=C(C=CC=1C(=O)C1C=CC(O)=CC=1C2=O)O
MCULE-2021815891 0.83 O=C1C2C=CC(C)=C(OC)C=2C(C2C=CC=CC=21)=O
MCULE-9793510419 0.83 C12C(O)=C(O)C=CC=1C(=O)C1=C(C=CC=C1)C2=O
MCULE-7605040309 0.83 C12C(O)=CC=C(O)C=1C(C1C(=CC(CCC)=CC=1C2=O)CCC)=O
MCULE-4529069971 0.83 C12C(C)=C(O)C=CC=1C(=O)C1C(=CC=CC=1)C2=O
MCULE-3098130841 0.83 C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC(O)=C1CO
MolPort-039-140-487 0.83 [Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-046-417-339 0.83 [Br-].CC(C)[N@+]1(C)C2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-003-848-225 0.83 O.[Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-758-008 0.83 [I-].C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-757-825 0.83 [Cl-].CC[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-027-946-829 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-000-703-558 0.83 [Cl-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-248 0.83 [Br-].[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-039-053-495 0.83 Br.CN1C2CCC1CC(C2)OC(=O)[C@H](CO)c1ccccc1
MolPort-000-711-438 0.83 [I-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-000-710-779 0.83 [Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-044-768-566 0.83 [Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-006-069-092 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-005-976-538 0.83 [Br-].CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-009-758-175 0.83 [Br-].CCCC[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-035-924-120 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-019-994-237 0.83 O.[Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
MolPort-046-766-248 0.83 [Br-].[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
MolPort-027-946-829 0.83 [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c1ccccc1
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MolPort-046-762-165 0.70 [Br-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+]2([C@H]3CC[C@@H]2CC(C3)OC(=O)C(O)(c2ccccc2)c2ccccc2)C1([2H])[2H]
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MolPort-005-935-494 0.70 [Cl-].OC(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)(c1ccccc1)c1ccccc1
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MolPort-042-562-926 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)CCc1ccccc1
MolPort-039-171-899 0.62 Cc1cc(C)cc(CCC(=O)N2CCOCC2C2CCCC2O)c1
MolPort-046-423-347 0.62 [Cl-].[Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-044-305-361 0.62 Fc1ccccc1CC(=O)N1CCC2(CC1)CC(CC(=O)N1CCOCC1)CCO2
MolPort-039-171-960 0.62 OC1CCCC1C1COCCN1C(=O)Cc1cc(F)ccc1F
MolPort-039-151-010 0.62 OC1CCCC1C1COCCN1C(=O)Cc1cccc(F)c1F
MolPort-035-717-582 0.62 CCC(CN(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-044-650-337 0.62 CCC(C[N+](CC)(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-046-516-778 0.62 OC(=O)C(N1CCC2(CCCO2)CC1)c1ccccc1
MolPort-005-943-127 0.62 CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-002-242-637 0.62 Cl.COc1ccc(CC(=O)OC(C)CN2CCCCC2)cc1
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MolPort-002-726-877 0.62 COCCN1CCC(OC(C)=O)C2CCCCC12
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MolPort-044-315-557 0.62 O=C(CCCc1ccccc1)N1CCC2(CC1)CC(CC(=O)N1CCOCC1)CCO2
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MolPort-046-622-567 0.62 CCc1ccc(CN2CCC3(CC2)CC(CCO3)OCC(=O)N2CCCC2)cc1
MolPort-042-577-402 0.62 CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)Cc1ccc(F)c(C)c1
MolPort-042-568-120 0.62 CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)Cc1ccc(Cl)cc1
MolPort-042-575-945 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)Cc1cc(C)ccc1C
MolPort-042-558-319 0.62 CO[C@]12CCN([C@H]1C[C@H](O)CC2)C(=O)Cc1cccc2ccccc12
MolPort-029-911-852 0.62 COC1CCC2OCCN(CCC(=O)c3ccc(F)cc3)C2C1
MolPort-028-720-365 0.62 COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC
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MolPort-046-480-652 0.62 C(CN1CC2(CCNCC2)[C@H]2COC[C@@H]12)Cc1ccccc1
MolPort-044-369-658 0.62 CCC1(O)CCOC2(CCN(CC2)C(=O)Cc2ccc(F)cc2)C1
MolPort-027-833-599 0.62 CN(C)CCO[C@H]1C[C@@H](O)C11CCN(CC1)C(=O)Cc1ccc2ccccc2c1
MolPort-046-464-611 0.62 O[C@H](CN1CCC(CC1)OC1CCCCC1)Cc1ccccc1
MolPort-045-999-046 0.62 CCOC(=O)C1(CCCCN1)c1ccccc1
MolPort-039-221-447 0.62 CO[C@]12CCN([C@H]1C[C@@H](CC2)OCCO)C(=O)C1(CC1)c1ccccc1
MolPort-039-225-035 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1(CC1)c1ccccc1
MolPort-044-369-609 0.62 CN(CC1(O)CCOC2(CCNCC2)C1)C(=O)Cc1cccc(F)c1
MolPort-046-417-126 0.62 Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-042-562-926 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)CCc1ccccc1
MolPort-028-602-880 0.62 Cc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1
MolPort-044-872-730 0.62 CC1(CCOC1C1CC1)NCC(O)(C(N)=O)c1ccccc1
MolPort-046-763-650 0.62 Cl.CN1[C@@H]2CC(O)C[C@@H]1[C@@H]1O[C@H]21
MolPort-042-560-069 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)Cc1ccc(F)c(F)c1
MolPort-044-369-712 0.62 COCC1(O)CCOC2(CCN(CC2)C(=O)Cc2ccc(C)cc2)C1
MolPort-039-171-899 0.62 Cc1cc(C)cc(CCC(=O)N2CCOCC2C2CCCC2O)c1
MolPort-039-220-530 0.62 CO[C@]12CCN(CCCc3ccccc3)[C@H]1C[C@@H](CC2)OCCO
MolPort-044-369-747 0.62 COCC1(O)CCOC2(CCN(CC2)C(=O)Cc2ccc(F)cc2)C1
MolPort-023-209-785 0.62 O=C(Cc1cccc2ccccc12)N1C2CCC1COC2
MolPort-042-566-830 0.62 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)Cc1ccccc1F
MolPort-046-690-941 0.62 [Br-].C[N+]1(C)C2CC(O)CC1C1OC21
MolPort-023-220-231 0.62 Cl.CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21
MolPort-046-622-524 0.62 COc1cccc(CC(=O)N2CCC3(CC2)CC(CCO3)OCC(=O)N2CCCC2)c1
MolPort-044-356-946 0.62 O=C(N1CCC(CC1)N1CC(OCC2CC2)C11CCOCC1)C1(CC1)c1ccccc1
MolPort-035-717-582 0.62 CCC(CN(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-044-650-337 0.62 CCC(C[N+](CC)(CC)CC)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-039-145-561 0.62 OC1CCCC1C1COCCN1C(=O)CC1CC(C1)c1ccccc1
MolPort-039-171-960 0.62 OC1CCCC1C1COCCN1C(=O)Cc1cc(F)ccc1F
MolPort-039-151-010 0.62 OC1CCCC1C1COCCN1C(=O)Cc1cccc(F)c1F
MolPort-046-423-347 0.62 [Cl-].[Cl-].CC[N+]1(C)C2CCC1CC(C2)OC(=O)C1CCC(C(=O)OC2CC3CCC(C2)[N+]3(C)CC)(c2ccccc2)c2ccccc12
MolPort-046-516-778 0.62 OC(=O)C(N1CCC2(CCCO2)CC1)c1ccccc1
MolPort-044-305-361 0.62 Fc1ccccc1CC(=O)N1CCC2(CC1)CC(CC(=O)N1CCOCC1)CCO2
MCULE-2365770975 0.62 C12C(Cl)=C(C)C=CC=1C(=O)C1=C(C=CC=C1)C2=O
MolPort-044-323-071 0.61 O=C(CCc1ccccc1)N1CCC2(CC1)CC(CC(=O)N1CCOCC1)CCO2
MolPort-046-742-889 0.61 Oc1cccc(CCC(=O)N2CCO[C@@]3(C[C@@H]4CC[C@H](C3)N4)C2)c1
MolPort-004-020-248 0.61 O=C(COC(=O)C(c1ccccc1)c1ccccc1)N1CCCCCC1
MolPort-000-757-971 0.61 OC(=O)C([O-])=O.CC1(C)CC(OC(=O)c2ccccc2)C(C[NH+]2CCOCC2)CO1
MolPort-023-185-657 0.61 COC(=O)[C@H]1CCCCN1C(=O)CCCOCCc1ccccc1
MolPort-009-765-765 0.61 Cl.OC(C1CCCCC1)(C(=O)OCCCN1CCCC1)c1ccccc1
MolPort-039-171-879 0.61 CC(C)c1ccc(CCC(=O)N2CCOCC2C2CCCC2O)cc1
MolPort-038-991-801 0.61 COC1CCC2OCCN(C2C1)C(=O)CC1CC(C1)c1ccccc1
MolPort-003-666-147 0.61 [Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-046-111-471 0.61 OC(=O)C(N1CCC(CC1)OCC1CCCCO1)c1ccccc1
MolPort-023-209-788 0.61 O=C(Cc1ccc(cc1)-c1ccccc1)N1C2CCC1COC2
MolPort-039-171-910 0.61 CCc1ccc(CCC(=O)N2CCOCC2C2CCCC2O)cc1
MolPort-009-249-079 0.61 CC(OC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1
MolPort-000-709-438 0.61 [Cl-].OC(C1CCCCC1)(C(=O)OCCC[NH+]1CCCC1)c1ccccc1
MolPort-008-348-970 0.61 OC(=O)C(O)=O.CC1(C)CC(OC(=O)c2ccccc2)C(CN2CCOCC2)CO1
MolPort-039-067-889 0.61 CC(CCN1CCOCC11CCOC1)c1ccccc1
MolPort-004-089-492 0.61 O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
MolPort-029-911-773 0.61 Fc1ccc(cc1)C(=O)CCN1CCOC(C1)C1CCCO1
MolPort-039-171-948 0.61 OC1CCCC1C1COCCN1C(=O)Cc1cccc(Cl)c1
MolPort-000-715-912 0.61 [I-].COc1ccc(CC(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1Br
MolPort-044-317-634 0.61 Fc1cccc(CC(=O)N2CCC(CC2)N2CC(OCC3CC3)C22CCOCC2)c1
MolPort-044-319-616 0.61 CCOC1CCOC2(CCN(CC2)C(=O)Cc2cccc(C)c2)C1
MolPort-039-171-956 0.61 COc1ccc(CC(=O)N2CCOCC2C2CCCC2O)cc1
MolPort-044-317-313 0.61 COCCC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-046-055-581 0.61 OCCC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-004-013-973 0.61 CC1CCCC(C)N1C(=O)COC(=O)C1(CCCC1)c1cccc(F)c1
MolPort-042-570-503 0.61 CO[C@@H]1CC[C@]2(CCN([C@H]2C1)C(=O)Cc1ccc(cc1)C(C)C)OC
MolPort-004-091-736 0.61 O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CCCCC1
MolPort-023-304-471 0.61 Cc1cccc(CC(=O)OCC(=O)NC2CCCCC2)c1
MolPort-044-369-618 0.61 CN(CC1(O)CCOC2(CCNCC2)C1)C(=O)Cc1ccccc1C
MolPort-044-369-667 0.61 CCC1(O)CCOC2(CCN(CC2)C(=O)Cc2cccc(C)c2)C1
MolPort-039-338-348 0.61 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-044-369-752 0.61 COCC1(O)CCOC2(CCN(CC2)C(=O)Cc2ccccc2F)C1
MolPort-039-171-911 0.61 OC1CCCC1C1COCCN1C(=O)CCc1ccc(F)cc1
MolPort-002-582-385 0.61 O=C(OC(CCN1CCCCC1)c1ccccc1)C1(CCCC1)c1ccccc1
MolPort-042-568-856 0.61 CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)Cc1cccc(F)c1F
MolPort-046-622-443 0.61 COc1ccc(CC(=O)N2CCC3(CC2)CC(CCO3)OCC(=O)N(C)C)cc1
MolPort-035-858-523 0.61 Oc1ccc(CC(=O)NC2COC3(CCCC3)C2)cc1F
MolPort-005-787-547 0.61 Fc1ccc(cc1)C1(CCCC1)C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
MolPort-009-562-691 0.61 CC1CN(CCCOCCc2ccccc2)CCO1
MolPort-044-873-341 0.61 CC1(O)CCOCC1C1CCCN1CCOCC(F)(F)F
MolPort-044-539-086 0.61 CC(OCCc1ccccc1)C(=O)N1CC2CC2C1
MolPort-001-902-918 0.61 CC(CCOC(=O)C[N+]1(C)CCCCC1)CCc1ccccc1
MolPort-044-369-699 0.61 COCC1(O)CCOC2(CCN(CCCc3ccccc3)CC2)C1
MolPort-001-942-621 0.61 CC(CCOC(=O)CN1CCCCC1)CCc1ccccc1
MolPort-003-181-404 0.61 CCOC(=O)C1CCCCN1C1CCC(CC1)c1ccccc1
MolPort-044-369-766 0.61 COCC1(O)CCOC2(CCN(CC2)C(=O)Cc2ccccc2C)C1
MolPort-027-700-626 0.61 Oc1cccc(CC(=O)OCC(=O)N2CCCCCCC2)c1
MolPort-023-300-782 0.61 Fc1cccc(CC(=O)OCC(=O)NC2CCCCC2)c1
MolPort-044-344-068 0.61 COC1CCOC2(CCN(CC2)C(=O)Cc2cccc(F)c2)C1
MolPort-002-537-664 0.61 COc1ccc(CC(C(=O)OC2CC(C)N(C)C(C)C2)c2ccccc2)cc1
MolPort-003-666-226 0.61 [Br-].C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolPort-004-004-381 0.61 CC1CCCC(C)N1C(=O)COC(=O)Cc1ccc(Br)cc1
MolPort-046-553-412 0.61 CCC(C(=O)OCC(=O)NCC1CCCO1)c1ccccc1
MolPort-004-053-243 0.61 Brc1ccc(CC(=O)OCC(=O)NC2CCCCCC2)cc1
MolPort-042-567-024 0.61 CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1(CC1)c1ccc(C)cc1
MolPort-005-127-062 0.61 CCOC(=O)C1(CCCc2ccccc2)CCCN(C1)C(=O)CCN1CCOCC1
MolPort-046-622-632 0.61 CC(C)c1ccc(CN2CCC3(CC2)CC(CCO3)OCC(=O)N2CCOCC2)cc1
MolPort-002-721-261 0.61 CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)c1ccccc1
MolPort-044-344-233 0.61 COCCOC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-030-012-460 0.61 CC1CC(CC(C)O1)NCC(C(=O)N1CCOCC1)c1ccccc1
MolPort-038-992-098 0.61 CC(C)(C(=O)N1CCCC1C1COCCC1O)c1ccc(F)cc1
MolPort-005-875-319 0.61 Fc1cccc(c1)C1(CCCC1)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1
MolPort-028-799-625 0.61 CC1(COC(=O)C2CC3CCC2O3)CCCCN1Cc1ccccc1
MolPort-042-571-036 0.61 CO[C@@H]1CC[C@]2(CCN([C@H]2C1)C(=O)Cc1ccc(cc1)-c1ccccc1)OC
MolPort-039-295-193 0.61 CC1CCCCC1OCC(=O)N1CCC(CC1)(C(O)=O)c1ccccc1
MolPort-039-295-192 0.61 CC1CCCC(C1)OCC(=O)N1CCC(CC1)(C(O)=O)c1ccccc1
MolPort-002-530-759 0.61 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCc4ccccc4)[C@H]3C3OC123
MolPort-009-141-749 0.61 O=C(COC(=O)C1(CCC1)c1ccccc1)NC1CCCC1
MolPort-001-999-451 0.61 CC(CN1CCOCC1)OC(=O)Cc1ccccc1
MolPort-038-411-907 0.61 Fc1ccc(CC(=O)NC2COC3(C2)CCCCC3)c(F)c1
MolPort-039-171-880 0.61 OC1CCCC1C1COCCN1C(=O)Cc1ccccc1Cl
MolPort-030-014-396 0.61 Cl.COC1CCC2OCCN(C2C1)C(=O)C(N)c1ccccc1
MolPort-042-562-845 0.61 COc1ccc(CC(=O)N2CC[C@@]3(CC[C@H](C[C@H]23)OCC2CC2)OC)cc1
MolPort-005-877-834 0.61 CC1CCCC(NC(=O)COC(=O)C2(CCCC2)c2cccc(F)c2)C1C
MolPort-044-533-957 0.61 CC(C)(C)OC(=O)C(CN1CCC(C)(O)CC1)c1ccccc1
MolPort-046-459-006 0.61 O=C(C(c1ccccc1)c1ccccc1)N1C2CCC1COC2
MolPort-002-927-987 0.61 CN(C)C1[C@H]2C[C@H]3C[C@@H]1CC(C3)(C2)OC(=O)C(c1ccccc1)c1ccccc1
MolPort-042-575-471 0.61 CO[C@@H]1CC[C@]2(CCN(CCCc3ccccc3)[C@H]2C1)OC
MolPort-044-327-762 0.61 O=C(Cc1ccccc1)N1CCC2(CC1)CC(CCOCC1CC1)CCO2
MolPort-019-884-011 0.61 CN(CC1CCCCO1)C(=O)C(C)(C)c1ccccc1
MolPort-033-368-303 0.61 CCOC(=O)C1CCCCN1CCCc1ccccc1
MolPort-044-356-985 0.61 COC1CN(C2CCN(CC2)C(=O)Cc2ccccc2)C11CCOCC1
MolPort-046-110-354 0.61 CC(COCC(=O)N1CCCC(C1)C(O)=O)c1ccccc1
MolPort-044-611-568 0.61 CC(C)C(O)C(NC1COC2(CCC2)C1)c1ccccc1
MolPort-005-865-005 0.61 O=C(COC(=O)Cc1ccc(cc1)-c1ccccc1)NC1CCCCCCC1
MolPort-008-821-771 0.61 Fc1ccc(CC(=O)N2CCOC3CCCCC23)cc1
MolPort-003-319-209 0.61 Fc1ccc(CC(=O)OCC(=O)NC2CCCCC2)cc1
MolPort-005-006-983 0.61 CC(C)CC(=O)N1CCC2(CCC(CNC(=O)CCc3ccccc3)O2)CC1
MolPort-023-238-654 0.61 Fc1ccccc1CC(=O)OC1CCN(CC(F)(F)F)CC1
MolPort-046-458-142 0.61 Fc1cccc(CC(=O)N2CCOCC22CCCCC2)c1
MolPort-023-185-657 0.61 COC(=O)[C@H]1CCCCN1C(=O)CCCOCCc1ccccc1
MolPort-044-611-568 0.61 CC(C)C(O)C(NC1COC2(CCC2)C1)c1ccccc1
MolPort-044-356-985 0.61 COC1CN(C2CCN(CC2)C(=O)Cc2ccccc2)C11CCOCC1
MolPort-038-992-098 0.61 CC(C)(C(=O)N1CCCC1C1COCCC1O)c1ccc(F)cc1
MolPort-046-459-006 0.61 O=C(C(c1ccccc1)c1ccccc1)N1C2CCC1COC2
MolPort-044-327-762 0.61 O=C(Cc1ccccc1)N1CCC2(CC1)CC(CCOCC1CC1)CCO2
MolPort-033-368-303 0.61 CCOC(=O)C1CCCCN1CCCc1ccccc1
MolPort-023-238-654 0.61 Fc1ccccc1CC(=O)OC1CCN(CC(F)(F)F)CC1
MolPort-042-575-471 0.61 CO[C@@H]1CC[C@]2(CCN(CCCc3ccccc3)[C@H]2C1)OC
MolPort-044-533-957 0.61 CC(C)(C)OC(=O)C(CN1CCC(C)(O)CC1)c1ccccc1
MolPort-038-411-907 0.61 Fc1ccc(CC(=O)NC2COC3(C2)CCCCC3)c(F)c1
MolPort-042-562-845 0.61 COc1ccc(CC(=O)N2CC[C@@]3(CC[C@H](C[C@H]23)OCC2CC2)OC)cc1
MolPort-039-171-880 0.61 OC1CCCC1C1COCCN1C(=O)Cc1ccccc1Cl
MolPort-030-014-396 0.61 Cl.COC1CCC2OCCN(C2C1)C(=O)C(N)c1ccccc1
MolPort-042-571-036 0.61 CO[C@@H]1CC[C@]2(CCN([C@H]2C1)C(=O)Cc1ccc(cc1)-c1ccccc1)OC
MolPort-028-799-625 0.61 CC1(COC(=O)C2CC3CCC2O3)CCCCN1Cc1ccccc1
MolPort-039-295-192 0.61 CC1CCCC(C1)OCC(=O)N1CCC(CC1)(C(O)=O)c1ccccc1
MolPort-044-344-233 0.61 COCCOC1CCOC2(CCN(CC2)C(=O)Cc2ccccc2)C1
MolPort-046-110-354 0.61 CC(COCC(=O)N1CCCC(C1)C(O)=O)c1ccccc1
MolPort-044-369-618 0.61 CN(CC1(O)CCOC2(CCNCC2)C1)C(=O)Cc1ccccc1C
MolPort-030-012-460 0.61 CC1CC(CC(C)O1)NCC(C(=O)N1CCOCC1)c1ccccc1
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