EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)N(N=C3C(=O)OC)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H16ClN3O5/c1-28-14-9-4-3-8-13(14)23-18(25)15-16(20(27)29-2)22-24(17(15)19(23)26)12-7-5-6-11(21)10-12/h3-10,15,17H,1-2H3/t15-,17+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@]23[C@H]4C5=CC=CC=C5[C@@]4([C@@](O2)(C6=CC=CC=C36)C7=CC=CC=C7)Br
InChI: InChI=1S/C28H19BrO/c29-27-22-16-8-7-15-21(22)25(27)26(19-11-3-1-4-12-19)23-17-9-10-18-24(23)28(27,30-26)20-13-5-2-6-14-20/h1-18,25H/t25-,26-,27-,28+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)O)N6CC(SC(C6)(C)C)(C)C
InChI: InChI=1S/C31H51NO4S/c1-27(2)17-32(18-28(3,4)37-27)22-15-29(5)19(14-23(22)33)8-9-20-21-10-11-25(31(7)35-12-13-36-31)30(21,6)16-24(34)26(20)29/h19-23,25-26,33H,8-18H2,1-7H3/t19-,20-,21-,22-,23-,25-,26+,29-,30-/m0/s1
SMILES: COC1=C(C=C(C=C1)C(=O)[C@H]2[C@H]3[C@@H]([C@@H]4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7)OC
InChI: InChI=1S/C30H24N2O7/c1-36-20-9-7-17(13-22(20)37-2)28(33)27-25-24(26-19-6-4-3-5-16(19)11-12-31(26)27)29(34)32(30(25)35)18-8-10-21-23(14-18)39-15-38-21/h3-14,24-27H,15H2,1-2H3/t24-,25+,26+,27+/m0/s1
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C30H21NO2/c32-29-27-25-20-13-4-5-14-21(20)26(23-16-7-6-15-22(23)25)28(27)30(33)31(29)24-17-9-8-12-19(24)18-10-2-1-3-11-18/h1-17,25-28H/t25?,26?,27-,28+
SMILES: COC1=CC(=CC(=C1[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)O)OC)O
InChI: InChI=1S/C36H31NO8/c1-44-27-15-21(38)16-28(45-2)31(27)32-22-13-14-23-30(35(42)37(43)34(23)41)25(22)17-26-33(40)24(19-9-5-3-6-10-19)18-29(39)36(26,32)20-11-7-4-8-12-20/h3-13,15-16,18,23,25-26,30,32,38,43H,14,17H2,1-2H3/t23-,25+,26-,30-,32+,36-/m0/s1
SMILES: CC1=C[C@@H](OC1=O)O/C=C/2\[C@@H]3CC4=C([C@@H]3OC2=O)CCCC4
InChI: InChI=1S/C17H18O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h6,8,12,14-15H,2-5,7H2,1H3/b13-8+/t12-,14+,15-/m0/s1
SMILES: CCC(=O)N1[C@H]([C@@H]2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H21N3O4/c1-3-19(25)23-21(14-5-4-6-15(11-14)24(26)27)17-10-8-13-7-9-16(28-2)12-18(13)20(17)22-23/h4-7,9,11-12,17,21H,3,8,10H2,1-2H3/t17-,21+/m1/s1
SMILES: CC(=O)N1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C
InChI: InChI=1S/C27H41NO9/c1-13(29)28-11-24(12-37-14(2)30)8-7-18(34-4)26-16-9-15-17(33-3)10-25(31,19(16)20(15)35-5)27(32,23(26)28)22(36-6)21(24)26/h15-23,31-32H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)C(=C(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)Cl)Cl)Cl)Cl)N5N1C(=O)N(C5=O)C6=CC=CC=C6
InChI: InChI=1S/C26H16Cl5N3O5/c27-12-6-7-17(35)15(10-12)18-14-8-9-32-23(38)33(13-4-2-1-3-5-13)24(39)34(32)16(14)11-25(30)21(36)19(28)20(29)22(37)26(18,25)31/h1-8,10,16,18,35H,9,11H2/t16-,18-,25-,26+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C14H21N3O4S/c1-9-4-3-5-12(10(9)2)16-13-7-6-11(22(15,20)21)8-14(13)17(18)19/h6-10,12,16H,3-5H2,1-2H3,(H2,15,20,21)/t9-,10+,12-/m0/s1
SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI: InChI=1S/C20H30N4O6S/c25-15(7-4-3-6-14-19-13(12-31-14)22-20(29)23-19)21-11-5-1-2-8-18(28)30-24-16(26)9-10-17(24)27/h13-14,19H,1-12H2,(H,21,25)(H2,22,23,29)/t13-,14-,19-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C(C(=C(C=C34)Br)O)Br
InChI: InChI=1S/C20H22Br2O2/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,23-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC7=CC=CC=C76)O)C)C8=CC(=NN8C)C9=C(C1=C(S9)C=CC(=C1)Cl)C)Cl
InChI: InChI=1S/C45H36Cl2N4O5S/c1-21-9-12-25(18-32(21)47)50-41(53)28-14-13-27-30(37(28)43(50)55)19-31-42(54)51(36-20-33(48-49(36)4)40-22(2)29-17-24(46)11-16-35(29)57-40)44(56)45(31,3)39(27)38-26-8-6-5-7-23(26)10-15-34(38)52/h5-13,15-18,20,28,30-31,37,39,52H,14,19H2,1-4H3/t28-,30+,31-,37-,39+,45+/m0/s1
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=C(O4)C5=CC=CC=C5)SC2)C(=O)O
InChI: InChI=1S/C22H20N6O5S2/c1-27-22(24-25-26-27)35-11-13-10-34-20-17(19(30)28(20)18(13)21(31)32)23-16(29)9-14-7-8-15(33-14)12-5-3-2-4-6-12/h2-8,17,20H,9-11H2,1H3,(H,23,29)(H,31,32)/t17-,20-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=NN=C(S2)C3CC3)C(=O)[O-]
InChI: InChI=1S/C13H17N3O3S/c17-10(8-3-1-2-4-9(8)12(18)19)14-13-16-15-11(20-13)7-5-6-7/h7-9H,1-6H2,(H,18,19)(H,14,16,17)/p-1/t8-,9+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C
InChI: InChI=1S/C26H40O3/c1-17(27)21-9-10-22-20-8-7-18-16-19(29-24-6-4-5-15-28-24)11-13-25(18,2)23(20)12-14-26(21,22)3/h7,19-24H,4-6,8-16H2,1-3H3/t19-,20-,21+,22-,23-,24?,25-,26+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H35NO6/c1-22(32)31-27-29(36-20-25-16-10-5-11-17-25)28(35-19-24-14-8-4-9-15-24)26(37-30(27)33-2)21-34-18-23-12-6-3-7-13-23/h3-17,26-30H,18-21H2,1-2H3,(H,31,32)/t26-,27-,28-,29-,30+/m1/s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2C[C@H]1OO[C@]2(/C=C\C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
InChI: InChI=1S/C24H25ClO4/c1-17(26)27-23(2)14-13-20-16-22(23)28-29-24(20,19-6-4-3-5-7-19)15-12-18-8-10-21(25)11-9-18/h3-12,15,20,22H,13-14,16H2,1-2H3/b15-12-/t20-,22-,23-,24-/m1/s1
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)[O-]
InChI: InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1
SMILES: CC1=CC(=C(C(=C1)C)/C=N\NC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C20H22N2O/c1-13-9-14(2)19(15(3)10-13)12-21-22-20(23)18-11-17(18)16-7-5-4-6-8-16/h4-10,12,17-18H,11H2,1-3H3,(H,22,23)/b21-12-/t17-,18+/m1/s1
SMILES: CC(C)(C1=NC=C(O1)C2=CC(=CN=C2)OC)N3CCN([C@@H](C3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](COC6=CC=CC=C56)O)O
InChI: InChI=1S/C40H47F3N6O7/c1-39(2,38-45-20-34(56-38)27-17-29(54-3)19-44-18-27)49-14-13-48(31(22-49)37(53)46-24-40(41,42)43)21-28(50)16-26(15-25-9-5-4-6-10-25)36(52)47-35-30-11-7-8-12-33(30)55-23-32(35)51/h4-12,17-20,26,28,31-32,35,50-51H,13-16,21-24H2,1-3H3,(H,46,53)(H,47,52)/t26-,28+,31+,32-,35+/m1/s1
SMILES: CCCC(=O)OC[C@@]12C[C@@H]3[C@]4(O3)[C@@H](CC[C@]4(CCC(=C)CC[C@@H]1O2)C)C(C)(C)O
InChI: InChI=1S/C24H38O5/c1-6-7-20(25)27-15-23-14-19-24(29-19)17(21(3,4)26)11-13-22(24,5)12-10-16(2)8-9-18(23)28-23/h17-19,26H,2,6-15H2,1,3-5H3/t17-,18-,19+,22+,23-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@]1(C(=O)O)OC2=CC=C(C=C2)CC(=O)NC3=CC(=CC(=C3)C)C
InChI: InChI=1S/C23H27NO4/c1-15-11-16(2)13-19(12-15)24-21(25)14-18-6-8-20(9-7-18)28-23(22(26)27)10-4-5-17(23)3/h6-9,11-13,17H,4-5,10,14H2,1-3H3,(H,24,25)(H,26,27)/t17-,23+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN8CCC[C@H]8COC
InChI: InChI=1S/C43H55N3O5/c1-28-39(25-46-15-5-10-38(46)27-49-2)50-41(51-40(28)34-13-11-29(26-47)12-14-34)37-9-4-8-36(20-37)35-7-3-6-30(19-35)24-44-42(48)45-43-21-31-16-32(22-43)18-33(17-31)23-43/h3-4,6-9,11-14,19-20,28,31-33,38-41,47H,5,10,15-18,21-27H2,1-2H3,(H2,44,45,48)/t28-,31?,32?,33?,38+,39+,40+,41+,43?/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=C(C=CC=C3C)C
InChI: InChI=1S/C20H25N3O4/c1-12-7-4-5-10-15(12)23-19(26)18(25)22(20(23)27)11-16(24)21-17-13(2)8-6-9-14(17)3/h6,8-9,12,15H,4-5,7,10-11H2,1-3H3,(H,21,24)/t12-,15+/m0/s1
SMILES: CC(C)C1=C(C=C2C(=C1)C[C@H]([C@@H]3[C@@]2(CCCC3(C)C)C)ON=O)OC
InChI: InChI=1S/C21H31NO3/c1-13(2)15-10-14-11-18(25-22-23)19-20(3,4)8-7-9-21(19,5)16(14)12-17(15)24-6/h10,12-13,18-19H,7-9,11H2,1-6H3/t18-,19+,21-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)C=COCCO)OC7(O5)CC8=CC=CC=C8C7
InChI: InChI=1S/C46H53N3O12/c1-44(2,3)58-36(52)16-15-34(27-51)48-41(53)31-10-6-7-30(21-31)25-47-43(55)46-24-35-37-38(60-45(59-37)22-32-8-4-5-9-33(32)23-45)40(46)61-49(39(46)42(54)57-35)26-29-13-11-28(12-14-29)17-19-56-20-18-50/h4-14,17,19,21,34-35,37-40,50-51H,15-16,18,20,22-27H2,1-3H3,(H,47,55)(H,48,53)/t34-,35+,37-,38-,39-,40+,46-/m0/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]2C7=CC(=C(C=C7)O)F)C
InChI: InChI=1S/C35H34FN5O8/c1-17-12-29(43)35(2)20(31(17)44)14-24-19(30(35)18-6-7-26(42)21(36)13-18)8-11-40-33(46)39(34(47)41(24)40)10-9-22-32(45)38(3)25-16-28(49-5)27(48-4)15-23(25)37-22/h6-8,12-13,15-16,20,24,30,42H,9-11,14H2,1-5H3/t20-,24+,30-,35-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)C(=O)NCCO)CCCCC
InChI: InChI=1S/C32H46N2O7/c1-5-7-9-16-32(17-10-8-6-2)40-27-22-25(30(37)33-18-19-35)21-26(29(27)41-32)39-31(38)24-13-11-12-23(20-24)14-15-28(36)34(3)4/h11-15,20,22,26-27,29,35H,5-10,16-19,21H2,1-4H3,(H,33,37)/t26-,27-,29+/m1/s1
SMILES: CCO[C@H]1C[C@H]2[C@@H](O[C@@H]3CO[C@H](O[C@H]3[C@H]2O1)C4=CC=CC=C4)C#N
InChI: InChI=1S/C18H21NO5/c1-2-20-15-8-12-13(9-19)22-14-10-21-18(11-6-4-3-5-7-11)24-17(14)16(12)23-15/h3-7,12-18H,2,8,10H2,1H3/t12-,13-,14+,15+,16-,17+,18+/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]1(CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C)C)OC(=O)C
InChI: InChI=1S/C25H36O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-11-23(3)17(13-25)5-6-18-19-7-8-21(28)24(19,4)10-9-20(18)23/h17-20H,5-14H2,1-4H3/t17-,18+,19-,20+,23-,24-,25+/m1/s1
SMILES: C1CC2CCC1[C@@H]([C@@H]2C(=O)O)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4
InChI: InChI=1S/C23H30N2O3/c26-22(20-18-8-10-19(11-9-18)21(20)23(27)28)25-15-13-24(14-16-25)12-4-7-17-5-2-1-3-6-17/h1-7,18-21H,8-16H2,(H,27,28)/b7-4+/t18?,19?,20-,21+/m0/s1
SMILES: CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C23H31N3O2S/c1-2-3-13-26-22(28)19-10-6-7-11-20(19)24-23(26)29-16-21(27)25-14-12-17-8-4-5-9-18(17)15-25/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3/t17-,18+/m0/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Br)N=O
InChI: InChI=1S/C14H11BrN4O5/c1-2-24-14(22)10-9-11(19(16-10)17-23)13(21)18(12(9)20)8-5-3-7(15)4-6-8/h3-6,9,11H,2H2,1H3/t9-,11-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)CC6C7=CC=CC=C7C8=CC=CC=C68)C)OC(=O)C
InChI: InChI=1S/C48H50O13/c1-25-35(57-26(2)49)23-48(55)43(60-44(54)29-15-9-8-10-16-29)41-46(7,42(53)40(58-27(3)50)39(25)45(48,5)6)36(22-37-47(41,24-56-37)61-28(4)51)59-38(52)21-34-32-19-13-11-17-30(32)31-18-12-14-20-33(31)34/h8-20,34-37,40-41,43,55H,21-24H2,1-7H3/t35-,36-,37+,40+,41-,43-,46+,47-,48+/m0/s1
SMILES: CCC(=O)O[C@H]1C=C2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C
InChI: InChI=1S/C23H34O6/c1-8-18(26)28-17-12-14-19(3,4)11-10-15(24)21(14,6)23(27)16(25)13-20(5,9-2)29-22(17,23)7/h9,12,15,17,24,27H,2,8,10-11,13H2,1,3-7H3/t15-,17-,20-,21+,22+,23-/m0/s1
SMILES: CC1=NC(=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])Cl
InChI: InChI=1S/C21H22ClN3O4/c1-12-5-4-8-18(23-12)25-20(27)16-11-13(9-10-17(16)22)24-19(26)14-6-2-3-7-15(14)21(28)29/h4-5,8-11,14-15H,2-3,6-7H2,1H3,(H,24,26)(H,28,29)(H,23,25,27)/p-1/t14-,15+/m1/s1
SMILES: CN1CCN(CC1)CCCN(C[C@@H]2CCC=CC2)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C25H37N3O/c1-26-15-17-27(18-16-26)13-8-14-28(20-21-9-4-2-5-10-21)25(29)24-19-23(24)22-11-6-3-7-12-22/h2-4,6-7,11-12,21,23-24H,5,8-10,13-20H2,1H3/t21-,23-,24-/m0/s1
SMILES: CC[C@@]1(C(=O)N(C(=O)N1)NC(=O)CN2CCC[C@@H]3[C@@H]2CCCC3)C4=CC=CC=C4
InChI: InChI=1S/C22H30N4O3/c1-2-22(17-11-4-3-5-12-17)20(28)26(21(29)23-22)24-19(27)15-25-14-8-10-16-9-6-7-13-18(16)25/h3-5,11-12,16,18H,2,6-10,13-15H2,1H3,(H,23,29)(H,24,27)/t16-,18+,22+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C4CNCCS4)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C18H27N3O4S2/c1-8-14-13(9(2)22)17(23)21(14)15(18(24)25)16(8)27-10-5-11(20-6-10)12-7-19-3-4-26-12/h8-14,19-20,22H,3-7H2,1-2H3,(H,24,25)/t8-,9-,10+,11+,12?,13-,14-/m1/s1
SMILES: C[C@H](CCC(C(=C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,18,20-25,28-29H,1,6,8-16H2,2-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
SMILES: C[C@@H]1CCC23CCC(=O)C2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)C4=CN=C(NC4=O)NCCN)C
InChI: InChI=1S/C27H40N4O5/c1-6-25(4)13-19(36-23(35)17-14-30-24(29-12-11-28)31-22(17)34)26(5)15(2)7-9-27(16(3)21(25)33)10-8-18(32)20(26)27/h6,14-16,19-21,33H,1,7-13,28H2,2-5H3,(H2,29,30,31,34)/t15-,16+,19-,20?,21+,25-,26+,27?/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C6[C@@H](N4[C@H]([C@H](C2)N3C)C#N)CNC6=C(C(=C5O)C)OC)C(=C1OC)O
InChI: InChI=1S/C26H30N4O4/c1-11-6-13-7-15-17(9-27)30-16(22(29(15)3)19(13)24(32)25(11)33-4)8-14-20-18(30)10-28-21(20)26(34-5)12(2)23(14)31/h6,15-18,22,28,31-32H,7-8,10H2,1-5H3/t15-,16-,17-,18-,22-/m0/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2=O)C(=O)O[C@H]3[C@H](C(OC4=C3C5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)(C)C)OC(=O)[C@]78CC[C@](C7(C)C)(C(=O)O8)C
InChI: InChI=1S/C40H42O11/c1-34(2)29(48-33(45)40-19-17-38(8,31(43)51-40)36(40,5)6)28(47-32(44)39-18-16-37(7,30(42)50-39)35(39,3)4)26-24(49-34)15-14-22-23(41)20-25(46-27(22)26)21-12-10-9-11-13-21/h9-15,20,28-29H,16-19H2,1-8H3/t28-,29-,37+,38+,39-,40-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C)Cl)Cl)C
InChI: InChI=1S/C22H22Cl2N4O6/c1-4-34-14-7-5-6-12(16(14)29)15-11-8-9-27-19(32)26(3)20(33)28(27)13(11)10-21(23)17(30)25(2)18(31)22(15,21)24/h5-8,13,15,29H,4,9-10H2,1-3H3/t13-,15-,21-,22+/m1/s1
SMILES: CN([C@@H]1CC[C@]2([C@@H]3CC4=C5C2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O)C(=O)/C=C/C7=COC=C7
InChI: InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22+,26+,27?,28-/m1/s1
SMILES: CC1=C(C=C(O1)CC2=CC3=CC[C@H]4[C@@H]5CC[C@@H]([C@]5(CC[C@@H]4[C@]3(CC2)C)C)[C@H](C)CCCC(C)C)C(=O)C
InChI: InChI=1S/C35H52O2/c1-22(2)9-8-10-23(3)31-13-14-32-29-12-11-27-19-26(20-28-21-30(24(4)36)25(5)37-28)15-17-34(27,6)33(29)16-18-35(31,32)7/h11,19,21-23,29,31-33H,8-10,12-18,20H2,1-7H3/t23-,29+,31-,32+,33+,34+,35-/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=C(C=C7)OC)NC8=C(C=C(C=C8)Cl)Cl)(O)O
InChI: InChI=1S/C40H34BCl2N3O9/c1-54-24-9-6-20(7-10-24)40-30(37(49)46(39(40)51)44-32-15-8-22(42)17-31(32)43)19-29-26(35(40)27-12-11-25(55-2)18-33(27)47)13-14-28-34(29)38(50)45(36(28)48)23-5-3-4-21(16-23)41(52)53/h3-13,15-18,28-30,34-35,44,47,52-53H,14,19H2,1-2H3/t28-,29+,30-,34-,35+,40+/m0/s1
SMILES: CCC1=C(C(=C(S1)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(=O)OCC)C
InChI: InChI=1S/C20H24N2O5S/c1-4-14-11(3)16(20(26)27-5-2)17(28-14)21-15(23)10-22-18(24)12-8-6-7-9-13(12)19(22)25/h6-7,12-13H,4-5,8-10H2,1-3H3,(H,21,23)/t12-,13-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCCCC4)CCC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C29H44O3/c1-28-17-15-22(30)19-21(28)10-11-23-24-12-13-26(29(24,2)18-16-25(23)28)32-27(31)14-9-20-7-5-3-4-6-8-20/h19-20,23-26H,3-18H2,1-2H3/t23-,24-,25-,26-,28-,29-/m0/s1
SMILES: COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C20H26N4O2S/c1-26-18-8-4-7-17(11-18)24-14-21-22-20(24)27-13-19(25)23-10-9-15-5-2-3-6-16(15)12-23/h4,7-8,11,14-16H,2-3,5-6,9-10,12-13H2,1H3/t15-,16+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=S)NC3=CC=CC(=C3)C#N)NC4=NC=CC(=N4)C5=CC=CS5
InChI: InChI=1S/C22H20N6O2S2/c23-10-13-3-1-4-14(9-13)25-22(31)28-17-12-30-19-16(11-29-20(17)19)27-21-24-7-6-15(26-21)18-5-2-8-32-18/h1-9,16-17,19-20H,11-12H2,(H,24,26,27)(H2,25,28,31)/t16-,17-,19+,20+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C=CO[C@@H]1COCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3
InChI: InChI=1S/C23H26O6/c1-17(24)29-23-21(28-15-18-6-4-3-5-7-18)12-13-27-22(23)16-26-14-19-8-10-20(25-2)11-9-19/h3-13,21-23H,14-16H2,1-2H3/t21-,22-,23+/m1/s1
SMILES: CC[C@H]1[C@H]([C@@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)OC(=O)CC)CC=O)C)C)C
InChI: InChI=1S/C34H55NO10/c1-10-27-22(6)32-34(7,45-32)14-12-25(37)19(3)16-23(13-15-36)30(21(5)26(38)18-29(40)42-27)44-33-31(43-28(39)11-2)24(35(8)9)17-20(4)41-33/h12,14-15,19-24,26-27,30-33,38H,10-11,13,16-18H2,1-9H3/b14-12+/t19-,20+,21+,22-,23+,24-,26-,27+,30-,31+,32-,33-,34+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@]5(C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=CC(=C6)Br)O)Cl)CBr)Cl
InChI: InChI=1S/C29H24Br2Cl2N2O5/c1-2-14-3-6-16(7-4-14)35-24(37)18-9-8-17-20(22(18)25(35)38)12-28(32)26(39)34(13-30)27(40)29(28,33)23(17)19-11-15(31)5-10-21(19)36/h3-8,10-11,18,20,22-23,36H,2,9,12-13H2,1H3/t18-,20+,22-,23+,28+,29-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2
InChI: InChI=1S/C16H25N3O4/c1-9-5-4-6-12(10(9)2)17-15(21)11(3)23-16(22)13-7-8-14(20)19-18-13/h9-12H,4-8H2,1-3H3,(H,17,21)(H,19,20)/t9-,10-,11-,12+/m1/s1
SMILES: COC(=O)N1C2=C(C[C@@H]3[C@@H](C2)C(=O)NC3=O)C4=CC=CC=C41
InChI: InChI=1S/C16H14N2O4/c1-22-16(21)18-12-5-3-2-4-8(12)9-6-10-11(7-13(9)18)15(20)17-14(10)19/h2-5,10-11H,6-7H2,1H3,(H,17,19,20)/t10-,11-/m1/s1
SMILES: CC(C)[C@H]1CC[C@@H]([C@H]2[C@@H]1[C@@H]3C4=C(C[C@H]2O3)[C@@H](CC4)S(=O)(=O)C5=CC=CC=C5)COC
InChI: InChI=1S/C25H34O4S/c1-15(2)18-10-9-16(14-28-3)23-21-13-20-19(25(29-21)24(18)23)11-12-22(20)30(26,27)17-7-5-4-6-8-17/h4-8,15-16,18,21-25H,9-14H2,1-3H3/t16-,18-,21-,22-,23-,24-,25+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C23CC2COP3(=O)OCC=C)C(C)C
InChI: InChI=1S/C18H29O5P/c1-5-8-21-24(20)18(10-14(18)11-22-24)17(19)23-16-9-13(4)6-7-15(16)12(2)3/h5,12-16H,1,6-11H2,2-4H3/t13-,14?,15+,16-,18?,24?/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2C=C(C(=O)C[C@H]2C3CCCCC3)[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C37H59NO3Si/c1-25(2)42(26(3)4,27(5)6)35-24-38(32(23-33(35)39)29-16-12-10-13-17-29)36(40)41-34-22-28(7)20-21-31(34)37(8,9)30-18-14-11-15-19-30/h11,14-15,18-19,24-29,31-32,34H,10,12-13,16-17,20-23H2,1-9H3/t28-,31-,32+,34-/m1/s1
SMILES: CCOC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N[C@H](C)C5=CC=C(C=C5)[N+](=O)[O-])CO)O
InChI: InChI=1S/C27H29N7O7/c1-3-40-19-6-4-5-17(11-19)26(37)32-21-23(36)20(12-35)41-27(21)33-14-30-22-24(28-13-29-25(22)33)31-15(2)16-7-9-18(10-8-16)34(38)39/h4-11,13-15,20-21,23,27,35-36H,3,12H2,1-2H3,(H,32,37)(H,28,29,31)/t15-,20-,21-,23-,27-/m1/s1
SMILES: C/C(=C/1\[C@@H]2C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@](C1(C)C)(O2)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)/COC(=O)[C@@H]([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O
InChI: InChI=1S/C42H51NO14/c1-22(20-52-36(49)30(46)29(24-15-11-9-12-16-24)43-37(50)57-38(3,4)5)28-31-33(47)40(8)26(45)19-27-41(21-53-27,55-23(2)44)32(40)34(42(51,56-31)39(28,6)7)54-35(48)25-17-13-10-14-18-25/h9-18,26-27,29-32,34,45-46,51H,19-21H2,1-8H3,(H,43,50)/b28-22-/t26-,27+,29-,30+,31+,32?,34-,40+,41-,42+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H18N4O5/c1-13-7-9-15(10-8-13)25-22(29)18-17-6-3-11-24-26(17)20(19(18)23(25)30)21(28)14-4-2-5-16(12-14)27(31)32/h2-12,17-20H,1H3/t17-,18+,19-,20+/m1/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3)C
InChI: InChI=1S/C21H30N2O5/c1-4-27-20(25)18-13(2)19(22-14(18)3)21(26)28-12-17(24)23-11-7-9-15-8-5-6-10-16(15)23/h15-16,22H,4-12H2,1-3H3/t15-,16+/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)C2CCC(=O)C3=C2C=C(C=C3)Cl)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H61ClO5Si3/c1-22(38-41(11,12)32(2,3)4)28-30(39-42(13,14)33(5,6)7)31(40-43(15,16)34(8,9)10)29(37-28)25-19-20-27(36)24-18-17-23(35)21-26(24)25/h17-18,21-22,25,28-31H,19-20H2,1-16H3/t22-,25?,28+,29-,30+,31+/m1/s1
SMILES: COC(=O)[C@H]1[C@@H](C[C@@H]2[C@@H]([C@]1(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4
InChI: InChI=1S/C30H30O11/c1-37-26(32)20-19-15-18(16-11-7-5-8-12-16)21(27(33)38-2)30(36,22(19)28(34)39-3)23(29(35)40-4)24(20)41-25(31)17-13-9-6-10-14-17/h5-14,18-19,21-23,36H,15H2,1-4H3/t18-,19-,21+,22+,23?,30+/m0/s1
SMILES: CC1([C@H]([C@@H](C2=C(C1=O)C=CC(=C2)C#N)NC(=O)C3=CC=CC=C3)O)C
InChI: InChI=1S/C20H18N2O3/c1-20(2)17(23)14-9-8-12(11-21)10-15(14)16(18(20)24)22-19(25)13-6-4-3-5-7-13/h3-10,16,18,24H,1-2H3,(H,22,25)/t16-,18+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)C3=CC=CC=C3)O[C@@H]1OCC4=CC=CC=C4)OCC=C
InChI: InChI=1S/C25H29NO6/c1-3-14-28-23-21(26-17(2)27)25(29-15-18-10-6-4-7-11-18)31-20-16-30-24(32-22(20)23)19-12-8-5-9-13-19/h3-13,20-25H,1,14-16H2,2H3,(H,26,27)/t20-,21-,22-,23-,24?,25+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCC=C)OC(=O)C)O)OC
InChI: InChI=1S/C12H20O6/c1-5-6-16-12-11(18-8(3)13)9(14)10(15-4)7(2)17-12/h5,7,9-12,14H,1,6H2,2-4H3/t7-,9+,10-,11+,12+/m0/s1
SMILES: C/C=C(/C)\C(=O)OC/C/1=C/[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C=O)OC(=O)C)C(=C)C(=O)O2
InChI: InChI=1S/C22H26O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-18(28-15(4)24)20-14(3)22(26)29-19(20)10-17/h5,7,10-11,18-20H,3,6,8-9,12H2,1-2,4H3/b13-5-,16-7+,17-10+/t18-,19-,20-/m1/s1
SMILES: CC1=CC2=C(CCCCN2CC/C(=N/OCC[C@@H]3C=C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C)/C)N=C1C
InChI: InChI=1S/C27H39N3O6/c1-18-16-25-24(28-20(18)3)8-6-7-13-30(25)14-11-19(2)29-34-15-12-23-9-10-26(35-22(5)32)27(36-23)17-33-21(4)31/h9-10,16,23,26-27H,6-8,11-15,17H2,1-5H3/b29-19+/t23-,26-,27+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCCN(C)C)N=C(S3)NC(=O)C4=CC(=CC=C4)F)(C)CO)O
InChI: InChI=1S/C27H37FN4O4S/c1-26-9-8-21(34)27(2,15-33)20(26)14-19-23(18(26)13-22(35)29-10-11-32(3)4)30-25(37-19)31-24(36)16-6-5-7-17(28)12-16/h5-7,12,18,20-21,33-34H,8-11,13-15H2,1-4H3,(H,29,35)(H,30,31,36)/t18-,20+,21-,26+,27+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C17H20BrN3O2S/c1-11-4-2-3-5-14(11)19-15(22)10-24-17-21-20-16(23-17)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)/t11-,14+/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)/C=C/P(=O)(O)O)O)O
InChI: InChI=1S/C10H14N3O7P/c11-6-1-3-13(10(16)12-6)9-8(15)7(14)5(20-9)2-4-21(17,18)19/h1-5,7-9,14-15H,(H2,11,12,16)(H2,17,18,19)/b4-2+/t5-,7-,8+,9-/m1/s1
SMILES: CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCC4=CC=CC=C4)O2
InChI: InChI=1S/C21H25NO4/c1-2-3-13-25-20(24)17-16-9-11-21(26-16)14-22(19(23)18(17)21)12-10-15-7-5-4-6-8-15/h4-9,11,16-18H,2-3,10,12-14H2,1H3/t16-,17+,18+,21-/m1/s1
SMILES: CCCCNC1CC[C@@]2([C@H](CCCC2C1CC3=CC(=CC(=C3)OC)OC)O)C
InChI: InChI=1S/C24H39NO3/c1-5-6-12-25-22-10-11-24(2)21(8-7-9-23(24)26)20(22)15-17-13-18(27-3)16-19(14-17)28-4/h13-14,16,20-23,25-26H,5-12,15H2,1-4H3/t20?,21?,22?,23-,24-/m0/s1
SMILES: C1CCC(=CC1)CCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)O)O3
InChI: InChI=1S/C16H21NO4/c18-15(17-9-8-10-4-2-1-3-5-10)13-11-6-7-12(21-11)14(13)16(19)20/h4,6-7,11-14H,1-3,5,8-9H2,(H,17,18)(H,19,20)/t11-,12+,13-,14-/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C3=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1
InChI: InChI=1S/C50H38N4O9/c1-60-40-23-26(24-41(61-2)44(40)55)11-20-32-31-21-22-33-43(50(59)53(47(33)56)29-16-12-27(13-17-29)45-51-36-7-3-5-9-38(36)62-45)34(31)25-35-42(32)49(58)54(48(35)57)30-18-14-28(15-19-30)46-52-37-8-4-6-10-39(37)63-46/h3-21,23-24,32-35,42-43,55H,22,25H2,1-2H3/t32-,33-,34+,35+,42-,43-/m0/s1
SMILES: CCC(CC)C(=O)NC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O
InChI: InChI=1S/C13H25NO6/c1-4-7(5-2)12(18)14-6-8-9(15)10(16)11(17)13(19-3)20-8/h7-11,13,15-17H,4-6H2,1-3H3,(H,14,18)/t8-,9-,10+,11+,13+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(C)C
InChI: InChI=1S/C18H25NO5/c1-12(2)16-9-4-13(3)10-17(16)24-18(20)11-23-15-7-5-14(6-8-15)19(21)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16-,17-/m1/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)C=C[C@H]([C@@H]2C(=O)OC)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C28H36O5Si/c1-27(2,3)34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-24-18-17-23-22(25(24)26(29)30-6)19-31-28(4,5)32-23/h7-18,22-25H,19H2,1-6H3/t22-,23-,24+,25+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)CN(C)C)C)C)O
InChI: InChI=1S/C25H44N2O2/c1-16(28)20-8-9-21-19-7-6-17-14-18(26-23(29)15-27(4)5)10-12-24(17,2)22(19)11-13-25(20,21)3/h16-22,28H,6-15H2,1-5H3,(H,26,29)/t16-,17-,18+,19-,20+,21-,22-,24-,25+/m0/s1
SMILES: CC(C)(C)C1=CN(N=N1)C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H29N5O/c1-21(2,3)19-14-26(24-23-19)12-17-11-15-9-10-25(17)13-18(15)20(27)22-16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,22,27)/p+1/t15-,17+,18-/m0/s1