EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCO[P@@]1(=O)C([C@H]([C@@H](CO1)NC(=O)OC(C)(C)C)C)(F)F
InChI: InChI=1S/C12H22F2NO5P/c1-6-18-21(17)12(13,14)8(2)9(7-19-21)15-10(16)20-11(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,16)/t8-,9+,21-/m0/s1
SMILES: CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O
InChI: InChI=1S/C28H30O15/c1-9-16(6-14-18(19(9)32)21(34)12-4-3-11(30)5-13(12)20(14)33)41-28-26(43-27-25(38)22(35)15(31)7-40-27)24(37)23(36)17(42-28)8-39-10(2)29/h3-6,15,17,22-28,30-32,35-38H,7-8H2,1-2H3/t15-,17-,22+,23-,24+,25-,26-,27+,28-/m1/s1
SMILES: CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)F
InChI: InChI=1S/C20H19FN2O6/c1-11(24)22-12-6-7-15(16(21)8-12)17(25)10-29-18(26)9-23-19(27)13-4-2-3-5-14(13)20(23)28/h2-3,6-8,13-14H,4-5,9-10H2,1H3,(H,22,24)/t13-,14+
SMILES: CCN(CC)C(=O)[C@H]1[C@@H](O1)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3
InChI: InChI=1S/C27H37NO2/c1-3-28(4-2)27(29)26-25(30-26)24-21-15-14-20-23(24)19-13-8-6-5-7-10-16-22-17-11-9-12-18-22/h9,11-12,14-15,17-18,20-21,25-26H,3-8,10,13,16,19H2,1-2H3/t25-,26+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC(=O)N4C=CSC4=N3
InChI: InChI=1S/C18H19N3O5S/c22-14-9-11(19-18-20(14)7-8-27-18)10-26-15(23)5-6-21-16(24)12-3-1-2-4-13(12)17(21)25/h7-9,12-13H,1-6,10H2/t12-,13-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C/C=C(/C)\CC2=C[C@]3(CCC[C@]3([C@@]4(O2)C=CC(O4)(C)C)C)C)OC
InChI: InChI=1S/C28H38O4/c1-19(9-10-21-17-22(30-7)16-20(2)24(21)29)15-23-18-26(5)11-8-12-27(26,6)28(31-23)14-13-25(3,4)32-28/h9,13-14,16-18,29H,8,10-12,15H2,1-7H3/b19-9-/t26-,27-,28-/m1/s1
SMILES: C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C
InChI: InChI=1S/C30H50O6/c1-19(9-14-26(33)29(3,4)35)23-12-13-24-21(8-6-15-30(23,24)5)10-11-22-18-25(32)28(27(34)20(22)2)36-17-7-16-31/h10-11,19,23-28,31-35H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24?,25-,26+,27-,28-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=NN=C2SCC3=NC4=C(C(=C(S4)C(=O)C)C)C(=O)N3)C5=CN=CC=C5
InChI: InChI=1S/C24H26N6O2S2/c1-13-7-4-5-9-17(13)30-21(16-8-6-10-25-11-16)28-29-24(30)33-12-18-26-22(32)19-14(2)20(15(3)31)34-23(19)27-18/h6,8,10-11,13,17H,4-5,7,9,12H2,1-3H3,(H,26,27,32)/t13-,17-/m0/s1
SMILES: CC1CC(C(=O)C(O1)O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C=O)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O
InChI: InChI=1S/C29H40O9/c1-15-9-21(31)25(34)26(37-15)38-23-11-17-3-4-20-19(28(17,14-30)12-22(23)32)5-7-27(2)18(6-8-29(20,27)35)16-10-24(33)36-13-16/h10,14-15,17-23,26,31-32,35H,3-9,11-13H2,1-2H3/t15?,17-,18+,19-,20+,21?,22+,23+,26?,27+,28+,29-/m0/s1
SMILES: CCOC(=O)[C@](C1=CC=C(O1)[C@H]2C[C@@H]2C3CC3)(C(F)(F)F)O
InChI: InChI=1S/C15H17F3O4/c1-2-21-13(19)14(20,15(16,17)18)12-6-5-11(22-12)10-7-9(10)8-3-4-8/h5-6,8-10,20H,2-4,7H2,1H3/t9-,10+,14-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CN(C)CC=C
InChI: InChI=1S/C30H36N2O5S/c1-4-18-32(3)20-28-22(2)29(25-14-12-24(21-33)13-15-25)37-30(36-28)26-16-10-23(11-17-26)19-31-38(34,35)27-8-6-5-7-9-27/h4-17,22,28-31,33H,1,18-21H2,2-3H3/t22-,28+,29+,30+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@H]([C@H](O1)OCC2=CC=CC=C2)OC)OC
InChI: InChI=1S/C19H28O6/c1-19(2,3)18(20)24-12-14-15(21-4)16(22-5)17(25-14)23-11-13-9-7-6-8-10-13/h6-10,14-17H,11-12H2,1-5H3/t14-,15+,16-,17+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC(=O)NC4=CC=CC=C4)O)O
InChI: InChI=1S/C24H30N2O4/c1-30-21-15-17(10-11-20(21)27)23-19-9-5-6-12-24(19,29)13-14-26(23)16-22(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,15,19,23,27,29H,5-6,9,12-14,16H2,1H3,(H,25,28)/p+1/t19-,23-,24-/m0/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CO3)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C16H20N2O5/c1-4-16(15(21)22-5-2)11-10(13(19)18(3)14(11)20)12(17-16)9-7-6-8-23-9/h6-8,10-12,17H,4-5H2,1-3H3/p+1/t10-,11+,12-,16-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C40H29Br2NO5/c41-24-11-14-26(15-12-24)43-38(47)28-17-16-27-30(35(28)39(43)48)20-32-37(46)29(22-7-3-1-4-8-22)21-34(45)40(32,23-9-5-2-6-10-23)36(27)31-19-25(42)13-18-33(31)44/h1-16,18-19,21,28,30,32,35-36,44H,17,20H2/t28-,30+,32-,35-,36+,40-/m0/s1
SMILES: CC1(O[C@H]2CN([C@@H]([C@H]2O1)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)F)F)C
InChI: InChI=1S/C22H22F2N2O4/c1-22(2)29-17-12-26(21(28)15-9-8-14(23)10-16(15)24)18(19(17)30-22)20(27)25-11-13-6-4-3-5-7-13/h3-10,17-19H,11-12H2,1-2H3,(H,25,27)/t17-,18-,19-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=C(C=C(C=C5)F)F
InChI: InChI=1S/C27H17F2N3O/c28-19-10-11-21(22(29)14-19)23-24(25(33)18-7-2-1-3-8-18)32-13-12-17-6-4-5-9-20(17)26(32)27(23,15-30)16-31/h1-14,23-24,26H/t23-,24+,26-/m1/s1
SMILES: CC1=C(N=C[N+](=C1N)SC/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC(C4=CC(=C(C=C4)O)O)C(=O)O)/C5=CSC(=N5)N)SC2)C(=O)[O-])N
InChI: InChI=1S/C28H27N9O9S3/c1-11-21(29)32-10-36(22(11)30)49-6-2-3-13-8-47-25-18(24(41)37(25)19(13)26(42)43)34-23(40)17(14-9-48-28(31)33-14)35-46-20(27(44)45)12-4-5-15(38)16(39)7-12/h2-5,7,9-10,18,20,25H,6,8H2,1H3,(H10,29,30,31,33,34,35,38,39,40,42,43,44,45)/b3-2+/t18-,20?,25-/m1/s1
SMILES: C1C[C@H]2[C@@](C1)(OC(=C(C2(C#N)C#N)C#N)N)N3CCOCC3
InChI: InChI=1S/C15H17N5O2/c16-8-11-13(19)22-15(20-4-6-21-7-5-20)3-1-2-12(15)14(11,9-17)10-18/h12H,1-7,19H2/t12-,15-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3/t17-,18-,19-,20+,21-/m0/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=NC(=O)CCC(=O)[O-])N2CC3=CC=C(C=C3)F
InChI: InChI=1S/C16H17FN2O5S2/c17-11-3-1-10(2-4-11)7-19-12-8-26(23,24)9-13(12)25-16(19)18-14(20)5-6-15(21)22/h1-4,12-13H,5-9H2,(H,21,22)/p-1/t12-,13-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@]([C@@H]([C@H](O1)OC(=O)C)I)(C)O)OC(=O)C(C)C
InChI: InChI=1S/C13H21IO6/c1-6(2)11(16)20-10-7(3)18-12(19-8(4)15)9(14)13(10,5)17/h6-7,9-10,12,17H,1-5H3/t7-,9+,10-,12+,13-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C(=C7Br)Br)O)OC)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C49H39Br2ClFN3O8/c1-62-32-18-21-38(63-2)26(22-32)7-4-25-5-16-31(17-6-25)55-45(58)34-20-19-33-35(40(34)47(55)60)23-37-46(59)56(54-30-14-12-29(53)13-15-30)48(61)49(37,27-8-10-28(52)11-9-27)41(33)36-24-39(64-3)44(57)43(51)42(36)50/h4-19,21-22,24,34-35,37,40-41,54,57H,20,23H2,1-3H3/t34-,35+,37-,40-,41+,49+/m0/s1
SMILES: CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)COC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C23H30N2O2/c1-24(21-10-4-5-11-22(21)25-14-6-7-15-25)23(26)17-27-20-13-12-18-8-2-3-9-19(18)16-20/h2-3,8-9,12-13,16,21-22H,4-7,10-11,14-15,17H2,1H3/t21-,22-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)NC8=CC=CC=C8
InChI: InChI=1S/C38H23Cl3F5N3O5/c39-24-14-19(50)10-11-21(24)26-20-12-13-22-25(34(52)48(33(22)51)18-8-6-17(7-9-18)47-16-4-2-1-3-5-16)23(20)15-37(40)35(53)49(36(54)38(26,37)41)32-30(45)28(43)27(42)29(44)31(32)46/h1-12,14,22-23,25-26,47,50H,13,15H2/t22-,23+,25-,26+,37+,38-/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CC
InChI: InChI=1S/C35H65O13P/c1-3-5-7-9-11-13-14-16-17-19-21-23-28(36)45-25-27(47-29(37)24-22-20-18-15-12-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h6,8,27,30-35,38-42H,3-5,7,9-26H2,1-2H3,(H,43,44)/b8-6+/t27-,30?,31-,32+,33+,34+,35?/m0/s1
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2[C@H]([C@H]2/C=C/C(=O)OCC3=CC=CC=C3)CCCCNC(=O)OCC4=CC=CC=C4Cl)C
InChI: InChI=1S/C33H37ClN2O6S/c1-23-19-24(2)32(25(3)20-23)43(39,40)36-29(30(36)16-17-31(37)41-21-26-11-5-4-6-12-26)15-9-10-18-35-33(38)42-22-27-13-7-8-14-28(27)34/h4-8,11-14,16-17,19-20,29-30H,9-10,15,18,21-22H2,1-3H3,(H,35,38)/b17-16+/t29-,30+,36?/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC4=C(S3)C=CN=C4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H15N3O4S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)25-16-18-8-5-17-4-3-9(8)24-16/h3-7,10-11,20H,1-2H3,(H,22,23)/t6-,7-,10-,11-/m1/s1
SMILES: CC(=C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)CCCC(=O)OC
InChI: InChI=1S/C23H42O3Si/c1-17(2)18-13-14-19-20(26-27(7,8)22(3,4)5)11-9-15-23(18,19)16-10-12-21(24)25-6/h18-20H,1,9-16H2,2-8H3/t18-,19+,20+,23+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)C2=CC=CC=C2)CCC(C#C)OCC3=CC=CC=C3)C
InChI: InChI=1S/C23H26O3/c1-4-20(24-17-18-11-7-5-8-12-18)15-16-21-22(26-23(2,3)25-21)19-13-9-6-10-14-19/h1,5-14,20-22H,15-17H2,2-3H3/t20?,21-,22+/m0/s1
SMILES: C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4
InChI: InChI=1S/C19H16N4O6/c24-18-17(13(9-20-18)11-4-2-1-3-5-11)19(25)22-21-8-12-6-15-16(29-10-28-15)7-14(12)23(26)27/h1-8,13,17H,9-10H2,(H,20,24)(H,22,25)/b21-8+/t13-,17-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@](C2)(CC3(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C26H27NO2S/c1-20-13-15-23(16-14-20)30(28,29)27-17-24-25(2,19-27)18-26(24,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24H,17-19H2,1-2H3/t24-,25+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H23ClN2O2/c1-13-18(20(26)15-7-11-17(23)12-8-15)19(25-21(27)24-13)14-5-9-16(10-6-14)22(2,3)4/h5-12,18-19H,1H2,2-4H3,(H2,24,25,27)/t18-,19-/m1/s1
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/C6=CC=C(C=C6)Cl
InChI: InChI=1S/C39H53ClO4/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29?,30?,31-,36-,37+,38+,39-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2C[C@H]([C@@H](CO2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C19H22O4/c1-21-16-9-7-15(8-10-16)18-11-17(20)19(13-23-18)22-12-14-5-3-2-4-6-14/h2-10,17-20H,11-13H2,1H3/t17-,18+,19-/m1/s1
SMILES: CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3[C@H]([C@H](C(O3)CO)O)O)Cl)Cl
InChI: InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11?,12-,13-,14-/m0/s1
SMILES: CCOC(=O)C1=C(N=C2C[C@H]([C@H](C(=O)[C@H]2[C@@H]1C3=CC=CS3)C(=O)OC)C)C
InChI: InChI=1S/C20H23NO5S/c1-5-26-20(24)15-11(3)21-12-9-10(2)14(19(23)25-4)18(22)16(12)17(15)13-7-6-8-27-13/h6-8,10,14,16-17H,5,9H2,1-4H3/t10-,14-,16-,17-/m1/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N(C)C
InChI: InChI=1S/C17H22N4O5/c1-7-11(20(2)3)14(23)10-8(6-26-16(18)24)17(25-4)15-9(19-15)5-21(17)12(10)13(7)22/h8-9,15,19H,5-6H2,1-4H3,(H2,18,24)/t8-,9?,15?,17-/m1/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C23H24N4/c1-22(2,3)16-9-10-17-18(11-16)20(15-7-5-4-6-8-15)23(13-25,14-26)21(27)19(17)12-24/h4-8,10,16,18-20,27H,9,11H2,1-3H3/t16-,18-,19?,20-/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCC4=CC=C(C=C4)C=O)/CO2)C)C)(C)O
InChI: InChI=1S/C41H61N3O12/c1-11-33-41(8,50)34-17-31(42-27(6)46)23(2)18-40(7,52-22-30(21-51-34)43-53-20-29-14-12-28(19-45)13-15-29)37(25(4)35(47)26(5)38(49)55-33)56-39-36(48)32(44(9)10)16-24(3)54-39/h12-15,19,23-26,32-34,36-37,39,48,50H,11,16-18,20-22H2,1-10H3/b42-31?,43-30-/t23-,24-,25+,26-,32+,33-,34-,36-,37-,39+,40-,41-/m1/s1
SMILES: C[C@@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)F)C(=O)OC
InChI: InChI=1S/C19H17FN2O4S/c1-19(18(25)26-2)14-13(15(21-19)12-4-3-9-27-12)16(23)22(17(14)24)11-7-5-10(20)6-8-11/h3-9,13-15,21H,1-2H3/p+1/t13-,14+,15-,19+/m0/s1
SMILES: CCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H27N3O3S/c1-2-5-15-8-10-16(11-9-15)19-14-30-23(24-19)25-20(27)12-13-26-21(28)17-6-3-4-7-18(17)22(26)29/h8-11,14,17-18H,2-7,12-13H2,1H3,(H,24,25,27)/t17-,18-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O
InChI: InChI=1S/C32H27NO9/c1-3-42-24-6-4-5-18(29(24)37)25-16-9-10-19-26(20(16)13-21-27(25)23(35)11-14(2)28(21)36)31(39)33(30(19)38)15-7-8-17(32(40)41)22(34)12-15/h4-9,11-12,19-20,25-26,34,37H,3,10,13H2,1-2H3,(H,40,41)/t19-,20+,25+,26-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)C4=CSC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H43N5O3SSi2/c1-25(2,3)36(7,8)32-14-19-18(34-37(9,10)26(4,5)6)13-20(33-19)31-16-28-22-21(17-11-12-35-15-17)29-24(27)30-23(22)31/h11-12,15-16,18-20H,13-14H2,1-10H3,(H2,27,29,30)/t18-,19+,20+/m0/s1
SMILES: CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C23H27N3O2S/c1-17(27)26(21-9-3-2-4-10-21)23-24-20(16-29-23)11-12-22(28)25-14-13-18-7-5-6-8-19(18)15-25/h2-4,9-12,16,18-19H,5-8,13-15H2,1H3/b12-11+/t18-,19+/m1/s1
SMILES: C[C@@]12CCC3=C([C@H]1[C@H](C[C@]4([C@H]2CC[C@@H]4O)C)C5=CC=C(C=C5)OCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C3)O
InChI: InChI=1S/C35H45F5O5S/c1-32-17-15-24-21-25(41)9-12-27(24)31(32)28(22-33(2)29(32)13-14-30(33)42)23-7-10-26(11-8-23)45-18-4-3-5-19-46(43,44)20-6-16-34(36,37)35(38,39)40/h7-12,21,28-31,41-42H,3-6,13-20,22H2,1-2H3/t28-,29+,30+,31+,32+,33+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)C)C)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]
InChI: InChI=1S/C23H27NO5S/c1-4-29-23(28)19-18(15-10-9-13(2)14(3)11-15)12-30-21(19)24-20(25)16-7-5-6-8-17(16)22(26)27/h9-12,16-17H,4-8H2,1-3H3,(H,24,25)(H,26,27)/p-1/t16-,17-/m1/s1
SMILES: CCS(=O)(=O)CCC12CCC(CC1)(CC2)C(=O)N[C@@H]3C[C@@H]4CC[C@]3(C4(C)C)C
InChI: InChI=1S/C23H39NO3S/c1-5-28(26,27)15-14-22-8-11-23(12-9-22,13-10-22)19(25)24-18-16-17-6-7-21(18,4)20(17,2)3/h17-18H,5-16H2,1-4H3,(H,24,25)/t17-,18+,21+,22?,23?/m0/s1
SMILES: C[C@@]1([C@H]2C[C@H](C2(C)C)CC1=NCC(=O)OC(C)(C)C)O
InChI: InChI=1S/C16H27NO3/c1-14(2,3)20-13(18)9-17-12-8-10-7-11(15(10,4)5)16(12,6)19/h10-11,19H,7-9H2,1-6H3/t10-,11-,16-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)N(C)C6=C(C=CC(=N6)C(F)(F)F)Cl)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C36H30Cl2F4N4O7/c1-35-20(32(49)45(34(35)51)15-5-9-23(39)22(38)11-15)14-19-17(29(35)28-24(52-3)12-16(47)13-25(28)53-4)6-7-18-27(19)33(50)46(31(18)48)44(2)30-21(37)8-10-26(43-30)36(40,41)42/h5-6,8-13,18-20,27,29,47H,7,14H2,1-4H3/t18-,19+,20-,27-,29+,35+/m0/s1
SMILES: CC(=O)[C@@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)C)OC(=O)C
InChI: InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19-,20-,21-,22+,23-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]3[C@H](S2)OC(O3)(C)C)O)C
InChI: InChI=1S/C12H20O5S/c1-11(2)14-5-6-8(15-11)7(13)9-10(18-6)17-12(3,4)16-9/h6-10,13H,5H2,1-4H3/t6-,7+,8-,9-,10+/m1/s1
SMILES: C1[C@@H]([C@H]1C2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C18H14F3N3S/c19-18(20,21)14-8-4-5-9-15(14)24-16(22-23-17(24)25)13-10-12(13)11-6-2-1-3-7-11/h1-9,12-13H,10H2,(H,23,25)/t12-,13+/m1/s1
SMILES: CC[C@@]1([C@]2([C@@]1(C3([NH+]=C2N)OCCO3)C#N)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H15ClN4O2/c1-2-14(11-3-5-12(18)6-4-11)15(9-19)13(21)22-17(16(14,15)10-20)23-7-8-24-17/h3-6H,2,7-8H2,1H3,(H2,21,22)/p+1/t14-,15-,16+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=CN(N=N2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CN5C=C(N=N5)CCCO[C@@H]6[C@H](C[C@H]([C@@H]([C@H]6O)O)N)N)O)O)N
InChI: InChI=1S/C38H54N12O10S/c39-27-15-29(41)37(35(55)33(27)53)59-13-1-3-23-17-49(47-45-23)19-31(51)43-21-5-9-25(10-6-21)61(57,58)26-11-7-22(8-12-26)44-32(52)20-50-18-24(46-48-50)4-2-14-60-38-30(42)16-28(40)34(54)36(38)56/h5-12,17-18,27-30,33-38,53-56H,1-4,13-16,19-20,39-42H2,(H,43,51)(H,44,52)/t27-,28-,29+,30+,33+,34+,35-,36-,37-,38-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C(F)(F)F)C
InChI: InChI=1S/C14H19F3O7/c1-12(2)19-5-6(22-12)7-8(21-11(18)14(15,16)17)9-10(20-7)24-13(3,4)23-9/h6-10H,5H2,1-4H3/t6-,7-,8+,9-,10-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=C[C@@H]3[C@@H]4[C@H]([C@H](N3C=C2)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)F
InChI: InChI=1S/C30H20ClFN2O4/c31-20-11-9-18(10-12-20)28(36)26-25-24(29(37)34(30(25)38)22-8-4-7-21(32)16-22)23-15-19(13-14-33(23)26)27(35)17-5-2-1-3-6-17/h1-16,23-26H/t23-,24-,25-,26+/m1/s1
SMILES: CN1C(=O)[C@]2(CC3=C(C=CC=C3Cl)N4[C@@H]2CCC4)C(=O)NC1=S
InChI: InChI=1S/C16H16ClN3O2S/c1-19-14(22)16(13(21)18-15(19)23)8-9-10(17)4-2-5-11(9)20-7-3-6-12(16)20/h2,4-5,12H,3,6-8H2,1H3,(H,18,21,23)/t12-,16+/m1/s1
SMILES: CC(C)[C@@]1(CC[C@]2([C@@H]1[C@@H](C[C@@]3([C@@H](C2)O3)C)OC(=O)C4=CC=C(C=C4)O)C)O
InChI: InChI=1S/C22H30O5/c1-13(2)22(25)10-9-20(3)12-17-21(4,27-17)11-16(18(20)22)26-19(24)14-5-7-15(23)8-6-14/h5-8,13,16-18,23,25H,9-12H2,1-4H3/t16-,17-,18+,20-,21-,22-/m1/s1
SMILES: C1CC[C@@]2(CCN(C[C@@H]2C1)C(=O)COC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4)O
InChI: InChI=1S/C23H27NO5/c25-21(24-11-10-23(27)9-2-1-4-15(23)13-24)14-28-16-7-8-18-17-5-3-6-19(17)22(26)29-20(18)12-16/h7-8,12,15,27H,1-6,9-11,13-14H2/t15-,23-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@@H](O1)N2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2)O)O)O
InChI: InChI=1S/C11H12N4O6/c16-7-4-21-11(10(18)9(7)17)14-5-2-1-3-6(15(19)20)8(5)12-13-14/h1-3,7,9-11,16-18H,4H2/t7-,9+,10+,11-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2(CC[C@H]2C(=C)C)CC=C(C)C
InChI: InChI=1S/C20H28O3S/c1-15(2)10-12-20(13-11-19(20)16(3)4)14-23-24(21,22)18-8-6-17(5)7-9-18/h6-10,19H,3,11-14H2,1-2,4-5H3/t19-,20-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@@]2(C)O)(C)C)C
InChI: InChI=1S/C22H34O4S/c1-16-7-9-17(10-8-16)27(24,25)26-15-19-21(4)13-6-12-20(2,3)18(21)11-14-22(19,5)23/h7-10,18-19,23H,6,11-15H2,1-5H3/t18-,19+,21-,22+/m0/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OC(=O)C3=CC(=C(C=C3)O)OC
InChI: InChI=1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3/t12-,15+,18+/m1/s1
SMILES: C[C@@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4C[NH+](C)C[C@H](C5=CC=C(C=C5)O)O)C
InChI: InChI=1S/C24H33NO5/c1-14-5-4-10-23(2)11-19-20(21-24(14,23)30-21)17(22(28)29-19)12-25(3)13-18(27)15-6-8-16(26)9-7-15/h6-9,14,17-21,26-27H,4-5,10-13H2,1-3H3/p+1/t14-,17+,18-,19-,20-,21+,23-,24+/m1/s1
SMILES: C1=CC(=CC(=C1)I)CNC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)NC(=O)N)O
InChI: InChI=1S/C18H19ClIN7O4/c19-17-25-14(22-5-8-2-1-3-9(20)4-8)12-15(26-17)27(7-23-12)16-13(29)11(24-18(21)30)10(6-28)31-16/h1-4,7,10-11,13,16,28-29H,5-6H2,(H3,21,24,30)(H,22,25,26)/t10-,11-,13-,16-/m1/s1
SMILES: CC(=O)OC1=CC(=C(C=C1)OC(=O)C)C[C@@H]2[C@]3(CCCC([C@@H]3C[C@H]([C@@]2(C)O)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC)(C)C)C
InChI: InChI=1S/C35H43F3O8/c1-21(39)44-25-14-15-26(45-22(2)40)23(18-25)19-28-32(5)17-11-16-31(3,4)27(32)20-29(33(28,6)42)46-30(41)34(43-7,35(36,37)38)24-12-9-8-10-13-24/h8-10,12-15,18,27-29,42H,11,16-17,19-20H2,1-7H3/t27-,28+,29+,32-,33-,34+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@H](CCCC#CCC/C=C\C#C[Si](C)(C)C)NO)C
InChI: InChI=1S/C26H40N2O4SSi/c1-25(2)21-16-17-26(25)20-33(31,32)28(23(26)19-21)24(29)22(27-30)15-13-11-9-7-6-8-10-12-14-18-34(3,4)5/h10,12,21-23,27,30H,6,8,11,13,15-17,19-20H2,1-5H3/b12-10-/t21-,22+,23-,26-/m1/s1
SMILES: C[C@@]12CC[C@@]3([C@@](C1CC=C4[C@]2(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O)C)([C@@H](C[C@@H](C3(CO)CO)O)O)C)O
InChI: InChI=1S/C29H44O7/c1-17-7-8-27(23(34)35)11-9-24(2)18(19(27)13-17)5-6-20-25(24,3)10-12-29(36)26(20,4)21(32)14-22(33)28(29,15-30)16-31/h5,19-22,30-33,36H,1,6-16H2,2-4H3,(H,34,35)/t19-,20?,21+,22-,24+,25+,26-,27-,29-/m0/s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC[C@H]3CCCC[C@H]3C2
InChI: InChI=1S/C18H26N2O3S/c1-2-23-17-9-11-18(12-10-17)24(21,22)20-19-16-8-7-14-5-3-4-6-15(14)13-16/h9-12,14-15,20H,2-8,13H2,1H3/b19-16+/t14-,15+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)Br
InChI: InChI=1S/C17H18BrNO4/c18-11-5-7-12(8-6-11)23-15(20)9-10-19-16(21)13-3-1-2-4-14(13)17(19)22/h5-8,13-14H,1-4,9-10H2/t13-,14-/m1/s1
SMILES: CCCOC1=CC=C(C=C1)/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)C5=C4C(=C(N5)C)C(=O)OC
InChI: InChI=1S/C26H26N2O5/c1-4-11-33-18-8-5-16(6-9-18)7-10-21(30)28-14-17-13-26(17)20(28)12-19(29)24-23(26)22(15(2)27-24)25(31)32-3/h5-10,12,17,27H,4,11,13-14H2,1-3H3/b10-7+/t17-,26+/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N2[C@H]([C@H](C2=O)O)[C@H]3[C@H](C(=O)N3[C@@H](C)C4=CC=CC=C4)O
InChI: InChI=1S/C22H24N2O4/c1-13(15-9-5-3-6-10-15)23-17(19(25)21(23)27)18-20(26)22(28)24(18)14(2)16-11-7-4-8-12-16/h3-14,17-20,25-26H,1-2H3/t13-,14-,17-,18-,19+,20+/m0/s1
SMILES: C1CN(CC[NH+]1C[C@@H]2C[C@@H]3C[C@H]2C=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H23ClN2/c19-17-3-5-18(6-4-17)21-9-7-20(8-10-21)13-16-12-14-1-2-15(16)11-14/h1-6,14-16H,7-13H2/p+1/t14-,15+,16-/m0/s1
SMILES: C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)C
InChI: InChI=1S/C17H17ClO5/c1-8-5-10(19)6-9(2)17(8)16(20)13-11(21-3)7-12(22-4)14(18)15(13)23-17/h5,7,9H,6H2,1-4H3/t9-,17-/m1/s1
SMILES: C/C(=C\[C@H]1CC[C@H]2[C@]([C@]13CC(=O)OC3)(CCC4[C@@]2(CC=CC4(C)C)C)C)/C(=O)NC5=CC=C(C=C5)Cl
InChI: InChI=1S/C31H40ClNO3/c1-20(27(35)33-23-10-8-22(32)9-11-23)17-21-7-12-25-29(4)15-6-14-28(2,3)24(29)13-16-30(25,5)31(21)18-26(34)36-19-31/h6,8-11,14,17,21,24-25H,7,12-13,15-16,18-19H2,1-5H3,(H,33,35)/b20-17+/t21-,24?,25-,29+,30-,31+/m1/s1
SMILES: CCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC(=C(C=C5)O)OC
InChI: InChI=1S/C27H25ClN2O6/c1-3-14-35-20-11-9-18(10-12-20)29-26(32)23-24(16-4-13-21(31)22(15-16)34-2)30(36-25(23)27(29)33)19-7-5-17(28)6-8-19/h4-13,15,23-25,31H,3,14H2,1-2H3/t23-,24-,25-/m0/s1
SMILES: CCC1=CC(=CC=C1)NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O3/c1-2-13-6-5-7-14(12-13)20-17(22)10-11-21-18(23)15-8-3-4-9-16(15)19(21)24/h3-7,12,15-16H,2,8-11H2,1H3,(H,20,22)/t15-,16+
SMILES: CC[C@@]1(C(=O)N(C(=O)N1)CC(=O)N2CCC[C@H]3[C@@H]2CCCC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H31N3O4/c1-3-23(17-10-12-18(30-2)13-11-17)21(28)26(22(29)24-23)15-20(27)25-14-6-8-16-7-4-5-9-19(16)25/h10-13,16,19H,3-9,14-15H2,1-2H3,(H,24,29)/t16-,19-,23-/m0/s1
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)S(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC7CCCC7)NC(=O)OC8CCCC8
InChI: InChI=1S/C47H56N6O9S2/c1-6-28-25-47(28,43(56)64(58,59)33-18-8-7-9-19-33)52-41(54)38-23-32(26-53(38)42(55)40(46(2,3)4)51-45(57)62-30-16-12-13-17-30)61-39-24-36(49-35-22-31(60-5)20-21-34(35)39)37-27-63-44(50-37)48-29-14-10-11-15-29/h6-9,18-22,24,27-30,32,38,40H,1,10-17,23,25-26H2,2-5H3,(H,48,50)(H,51,57)(H,52,54)/t28-,32-,38?,40-,47-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)[O-])C
InChI: InChI=1S/C23H25NO5S/c1-11-4-6-13(7-5-11)16-12(2)30-21(19(16)23(28)29-3)24-20(25)17-14-8-9-15(10-14)18(17)22(26)27/h4-7,14-15,17-18H,8-10H2,1-3H3,(H,24,25)(H,26,27)/p-1/t14-,15+,17+,18+/m0/s1
SMILES: CC1=C(C(=O)C=C2C1=CC(=O)[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O
InChI: InChI=1S/C30H40O5/c1-17-18-14-21(32)24-28(4,19(18)15-20(31)23(17)33)11-13-29(5)22-16-27(3,25(34)35-7)9-8-26(22,2)10-12-30(24,29)6/h14-15,22,24,33H,8-13,16H2,1-7H3/t22-,24+,26-,27-,28+,29+,30-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)N=[N+]=[N-]
InChI: InChI=1S/C14H17N3O5/c1-19-14-10(16-17-15)11(18)12-9(21-14)7-20-13(22-12)8-5-3-2-4-6-8/h2-6,9-14,18H,7H2,1H3/t9-,10-,11-,12+,13-,14-/m1/s1
SMILES: C[C@]1([C@@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OO)O
InChI: InChI=1S/C10H16N2O8/c1-10(17)7(15)11-9(16)12(8(10)20-18)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,17-18H,2-3H2,1H3,(H,11,15,16)/t4-,5+,6+,8-,10-/m0/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1C3CCC(CC3)C4=NNN=N4)C(=O)O
InChI: InChI=1S/C17H27N5O2/c23-17(24)15-8-14-7-12(5-6-13(14)9-18-15)10-1-3-11(4-2-10)16-19-21-22-20-16/h10-15,18H,1-9H2,(H,23,24)(H,19,20,21,22)/t10?,11?,12-,13-,14+,15-/m0/s1
SMILES: CC1=C(C=CC2=C1NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5[NH+]3CCC5)C(=O)N(C4=O)C6=CC7=CC=CC=C7C=C6)Cl
InChI: InChI=1S/C27H22ClN3O3/c1-14-19(28)11-10-18-23(14)29-26(34)27(18)22-21(20-7-4-12-30(20)27)24(32)31(25(22)33)17-9-8-15-5-2-3-6-16(15)13-17/h2-3,5-6,8-11,13,20-22H,4,7,12H2,1H3,(H,29,34)/p+1/t20-,21+,22-,27-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC)N=[N+]=[N-]
InChI: InChI=1S/C21H24N6O7/c1-12-10-27(20(30)24-18(12)28)17-9-14(25-26-22)16(34-17)11-33-21(31)23-15(19(29)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,23,31)(H,24,28,30)/t14-,15+,16+,17+/m0/s1