EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC5=NOC6=C5C=CC(=C6)F.Cl
InChI: InChI=1S/C24H27FN4O.ClH/c1-27-12-13-29-21-9-11-28(15-19(21)17-4-2-6-22(27)24(17)29)10-3-5-20-18-8-7-16(25)14-23(18)30-26-20;/h2,4,6-8,14,19,21H,3,5,9-13,15H2,1H3;1H/t19-,21-;/m0./s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H23N3O5/c1-13-7-8-16-15(11-13)24(23(32)25-16)20-19(17(26-24)9-10-18(28)29)21(30)27(22(20)31)12-14-5-3-2-4-6-14/h2-8,11,17,19-20,26H,9-10,12H2,1H3,(H,25,32)(H,28,29)/t17-,19+,20-,24+/m0/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1S/C22H28O6/c1-22(2)27-13-16(14-7-9-17(23-3)19(11-14)25-5)21(28-22)15-8-10-18(24-4)20(12-15)26-6/h7-12,16,21H,13H2,1-6H3/t16-,21+/m1/s1
SMILES: CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C21H26NO2S/c1-15-20(25-14-22(15)13-16-5-3-2-4-6-16)9-10-24-21(23)19-12-17-7-8-18(19)11-17/h2-6,14,17-19H,7-13H2,1H3/q+1/t17-,18+,19-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[C@H]2N1C[C@@H]3C[C@@H](O[C@@H](O3)C4=CC=C(C=C4)C5=CC=CC=C5CNC(=O)NC6=CC=C(C=C6)OC7=CC=CC=C7)C8=CC=C(C=C8)CO
InChI: InChI=1S/C52H60N4O6/c1-52(2,3)55-49(58)47-30-25-37-11-8-10-16-46(37)56(47)33-44-31-48(38-19-17-35(34-57)18-20-38)62-50(61-44)39-23-21-36(22-24-39)45-15-9-7-12-40(45)32-53-51(59)54-41-26-28-43(29-27-41)60-42-13-5-4-6-14-42/h4-7,9,12-15,17-24,26-29,37,44,46-48,50,57H,8,10-11,16,25,30-34H2,1-3H3,(H,55,58)(H2,53,54,59)/t37-,44+,46-,47-,48-,50-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H28ClN3O2/c1-15-6-2-5-9-18(15)22-19(25)14-23-10-12-24(13-11-23)20(26)16-7-3-4-8-17(16)21/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,22,25)/t15-,18+/m1/s1
SMILES: CN1[C@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3O)C(=O)N(C2=O)CCOC
InChI: InChI=1S/C15H19N3O4/c1-17-13-11(14(20)18(15(13)21)7-8-22-2)12(16-17)9-5-3-4-6-10(9)19/h3-6,11-13,16,19H,7-8H2,1-2H3/t11-,12+,13+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@]([C@]13CC[C@](O3)(C)CO)(CC[C@H]4[C@@]2(COC(O4)(C)C)C)C
InChI: InChI=1S/C22H38O4/c1-15-7-8-16-20(5)14-24-18(2,3)25-17(20)9-10-21(16,6)22(15)12-11-19(4,13-23)26-22/h15-17,23H,7-14H2,1-6H3/t15-,16+,17+,19-,20-,21-,22+/m1/s1
SMILES: CC(=O)OC[C@@H](CC1=CC=CC=C1)[C@H]2[C@@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI: InChI=1S/C26H33NO5/c1-18(28)30-17-21(15-19-11-7-5-8-12-19)23-24(31-23)22(16-20-13-9-6-10-14-20)27-25(29)32-26(2,3)4/h5-14,21-24H,15-17H2,1-4H3,(H,27,29)/t21-,22+,23+,24+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)OC2=CN=C(C=C2)NC(=O)N[C@@H]3[C@H]4[C@@H]3C5=C(C=CC(=C5OC4)F)F
InChI: InChI=1S/C24H20F2N4O4/c1-12(31)28-13-2-4-14(5-3-13)34-15-6-9-19(27-10-15)29-24(32)30-22-16-11-33-23-18(26)8-7-17(25)21(23)20(16)22/h2-10,16,20,22H,11H2,1H3,(H,28,31)(H2,27,29,30,32)/t16-,20-,22-/m1/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C=C=C([C@H](C2=CC=CC=C2)O)[Si](C)(C)C)C3=CC=CC=C3
InChI: InChI=1S/C24H30N2O2Si/c1-18-22(19-12-8-6-9-13-19)26(24(28)25(18)2)17-16-21(29(3,4)5)23(27)20-14-10-7-11-15-20/h6-15,17-18,22-23,27H,1-5H3/t16?,18-,22-,23-/m0/s1
SMILES: COC1=CC=CC=C1C2=CC(=NC(=N2)S[C@H]3CC(=O)[C@H]4OC[C@@H]3O4)C(F)(F)F
InChI: InChI=1S/C18H15F3N2O4S/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14-,16-/m0/s1
SMILES: C[C@@]12CC3=C(C(=C4C(=C3)C[C@@H]5C6=C4C(=C7C(=C6OCO5)OC8=C(C7=O)[C@H](C[C@H]([C@@H]8O)O)O)O)O)C(=O)N1CCO2
InChI: InChI=1S/C28H25NO11/c1-28-7-10-4-9-5-13-17-18(14(9)21(33)15(10)27(36)29(28)2-3-39-28)23(35)19-22(34)16-11(30)6-12(31)20(32)24(16)40-26(19)25(17)38-8-37-13/h4,11-13,20,30-33,35H,2-3,5-8H2,1H3/t11-,12+,13+,20-,28+/m0/s1
SMILES: C[C@@]12CC[C@H](C[C@H]1C[C@@H](C3=C2OC(OC3=O)(C)C)C[C@H](CC=C)O)OC
InChI: InChI=1S/C21H32O5/c1-6-7-15(22)11-13-10-14-12-16(24-5)8-9-21(14,4)18-17(13)19(23)26-20(2,3)25-18/h6,13-16,22H,1,7-12H2,2-5H3/t13-,14-,15+,16-,21-/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C23H28N2O5/c1-3-13-6-5-7-14(4-2)21(13)24-17(26)12-30-18(27)11-25-22(28)19-15-8-9-16(10-15)20(19)23(25)29/h5-7,15-16,19-20H,3-4,8-12H2,1-2H3,(H,24,26)/t15-,16+,19-,20-/m0/s1
SMILES: CC(=CC(=O)N(CC12CC3CC(C1)CC(C3)C2)[C@@H]4CC(=C[C@@H]([C@H]4O)OC5=C(C=C(C=C5I)CO)OC)C(=O)NCCO)C
InChI: InChI=1S/C33H45IN2O7/c1-19(2)6-29(39)36(18-33-14-20-7-21(15-33)9-22(8-20)16-33)26-12-24(32(41)35-4-5-37)13-27(30(26)40)43-31-25(34)10-23(17-38)11-28(31)42-3/h6,10-11,13,20-22,26-27,30,37-38,40H,4-5,7-9,12,14-18H2,1-3H3,(H,35,41)/t20?,21?,22?,26-,27+,30+,33?/m1/s1
SMILES: CCCCC(=O)O[C@@]12[C@@H]([C@H]([C@]3(C(C1C2(C)C)C=C(C[C@]4(C3C=C(C4=O)C)O)CO)O)C)OC(=O)/C=C/CC
InChI: InChI=1S/C30H42O8/c1-7-9-11-22(32)37-26-18(4)29(36)20(24-27(5,6)30(24,26)38-23(33)12-10-8-2)14-19(16-31)15-28(35)21(29)13-17(3)25(28)34/h9,11,13-14,18,20-21,24,26,31,35-36H,7-8,10,12,15-16H2,1-6H3/b11-9+/t18-,20?,21?,24?,26-,28-,29-,30-/m1/s1
SMILES: CCCCCCC(=O)CCCCCC/C=C/C[C@@H]1[C@H]2[C@](COC(O2)(C)C)(C(=O)O1)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C31H45NO6/c1-4-5-6-15-20-25(33)21-16-10-8-7-9-11-17-22-26-27-31(29(35)37-26,23-36-30(2,3)38-27)32-28(34)24-18-13-12-14-19-24/h11-14,17-19,26-27H,4-10,15-16,20-23H2,1-3H3,(H,32,34)/b17-11+/t26-,27+,31-/m1/s1
SMILES: CCCCCCCCCCCCCC[C@H]1[C@@H](OC(O1)(C)C)[C@H](CO)N=[N+]=[N-]
InChI: InChI=1S/C21H41N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20(18(17-25)23-24-22)27-21(2,3)26-19/h18-20,25H,4-17H2,1-3H3/t18-,19-,20-/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)[C@@H](C(=O)N(C)CCC3=CC=CC=C3)O)C(=O)O)C
InChI: InChI=1S/C19H24N2O7S/c1-19(2)14(18(25)26)21-15(23)12(17(21)29(19,27)28)13(22)16(24)20(3)10-9-11-7-5-4-6-8-11/h4-8,12-14,17,22H,9-10H2,1-3H3,(H,25,26)/t12-,13+,14+,17-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4[NH+](C)CC#N)C)OC(=O)CCl
InChI: InChI=1S/C24H37ClN2O2/c1-23-10-8-17(29-22(28)15-25)14-16(23)4-5-18-19-6-7-21(27(3)13-12-26)24(19,2)11-9-20(18)23/h16-21H,4-11,13-15H2,1-3H3/p+1/t16-,17+,18+,19+,20-,21-,23-,24-/m0/s1
SMILES: C1CN(C[C@H]1NC2=C3C(=NC=N2)N(C=N3)C4C[C@@H]([C@H]([C@H]4O)O)CO)C5=CC=CC=C5
InChI: InChI=1S/C21H26N6O3/c28-10-13-8-16(19(30)18(13)29)27-12-24-17-20(22-11-23-21(17)27)25-14-6-7-26(9-14)15-4-2-1-3-5-15/h1-5,11-14,16,18-19,28-30H,6-10H2,(H,22,23,25)/t13-,14+,16?,18-,19+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C(=O)N)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C32H27N3O6/c1-32-22(28(38)34(30(32)40)17-8-3-2-4-9-17)15-21-19(12-13-20-24(21)29(39)35(27(20)37)31(33)41)26(32)25-18-10-6-5-7-16(18)11-14-23(25)36/h2-12,14,20-22,24,26,36H,13,15H2,1H3,(H2,33,41)/t20-,21+,22-,24-,26+,32+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)N3C4=CC=CC=C4N=N3
InChI: InChI=1S/C16H16N4O3/c21-14(20-13-8-4-3-7-12(13)17-18-20)9-19-15(22)10-5-1-2-6-11(10)16(19)23/h3-4,7-8,10-11H,1-2,5-6,9H2/t10-,11+
SMILES: CCC(C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)CC(O3)(CC(C)O)OC)C)Cl
InChI: InChI=1S/C25H33ClO5/c1-7-15(2)10-16(3)8-9-18-11-19-20(14-30-18)21-13-25(29-6,12-17(4)27)31-24(21,5)23(28)22(19)26/h8-11,14-15,17,21,27H,7,12-13H2,1-6H3/b9-8+,16-10+/t15?,17?,21-,24-,25?/m0/s1
SMILES: C[C@@H](C(=O)OC)N=C[C@H]([C@H]1[C@H](C(=O)N1CC=C)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H34N2O5Si/c1-10-11-21-15(16(24-6)17(21)22)14(12-20-13(2)18(23)25-7)26-27(8,9)19(3,4)5/h10,12-16H,1,11H2,2-9H3/t13-,14+,15-,16+/m0/s1
SMILES: C[C@]12CCC3([C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)CC[C@@]43C)O
InChI: InChI=1S/C21H28O3/c1-4-20(23)10-8-16-17-6-5-14-13-15(22)7-9-18(14,2)21(17,24)12-11-19(16,20)3/h1,13,16-17,23-24H,5-12H2,2-3H3/t16-,17-,18-,19-,20?,21?/m0/s1
SMILES: C[Si](C)(C)C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H20N2O6Si/c1-21(2,3)7-4-14(12(19)13-10(7)18)11-9(17)8(16)6(5-15)20-11/h4,6,8-9,11,15-17H,5H2,1-3H3,(H,13,18,19)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@]4([C@@]3(CC(=C)CC4)C)C)C)O
InChI: InChI=1S/C23H38O/c1-15-8-11-21(3)12-9-17-19-7-6-18(16(2)24)22(19,4)13-10-20(17)23(21,5)14-15/h16-20,24H,1,6-14H2,2-5H3/t16-,17+,18+,19-,20+,21+,22+,23+/m0/s1
SMILES: CCCC(=O)O[C@H]1C[C@]([C@H]2C[C@H](C(=C2[C@H]3[C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C)/C)(C)OC(=O)C
InChI: InChI=1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18-,21-,24-,25+,26+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)OC(=N)C(Cl)(Cl)Cl)N=[N+]=[N-])OCC4=CC=CC=C4)OCC5=CC=C(C=C5)OC
InChI: InChI=1S/C39H43Cl3N4O6Si/c1-38(2,3)53(30-16-10-6-11-17-30,31-18-12-7-13-19-31)50-26-32-34(48-25-28-20-22-29(47-4)23-21-28)35(49-24-27-14-8-5-9-15-27)33(45-46-44)36(51-32)52-37(43)39(40,41)42/h5-23,32-36,43H,24-26H2,1-4H3/t32-,33-,34-,35-,36?/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=S)NNC3=C(C=C(C=C3Cl)Cl)Cl
InChI: InChI=1S/C14H16Cl3N3S/c15-9-5-10(16)13(11(17)6-9)19-20-14(21)18-12-4-7-1-2-8(12)3-7/h5-8,12,19H,1-4H2,(H2,18,20,21)/t7-,8-,12-/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)CC6=CC=CC=C6)C(=O)N(C3=O)CC7=CC=CC=C7
InChI: InChI=1S/C35H32N2O6/c1-43-22-12-15-28(38)26(16-22)29-23-13-14-24-30(34(41)36(32(24)39)18-20-8-4-2-5-9-20)25(23)17-27-31(29)35(42)37(33(27)40)19-21-10-6-3-7-11-21/h2-13,15-16,24-25,27,29-31,38H,14,17-19H2,1H3/t24-,25+,27+,29+,30-,31+/m0/s1
SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1([C@H]2[C@]3(CCN4[C@H]3[C@]([C@H]1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)Br)O
InChI: InChI=1S/C29H40BrN3O6/c1-7-16(3)21(22(34)39-6)31-26(36)29(37)24-28(17-14-18(30)20(38-5)15-19(17)32(24)4)11-13-33-12-9-10-27(8-2,23(28)33)25(29)35/h9-10,14-16,21,23-25,35,37H,7-8,11-13H2,1-6H3,(H,31,36)/t16-,21-,23-,24+,25+,27+,28+,29?/m0/s1
SMILES: C[C@@H](C(=O)N1CCNC1=O)OC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C16H19N3O6/c1-9(13(21)18-7-6-17-16(18)24)25-12(20)8-19-14(22)10-4-2-3-5-11(10)15(19)23/h2-3,9-11H,4-8H2,1H3,(H,17,24)/t9-,10-,11+/m0/s1
SMILES: COC(=O)C1=CC=CC(=C1)CN2[C@H]([C@@H]([C@@H](N(C2=O)CC3=CC(=CC=C3)C(=O)OC)CC4=CC=CC=C4)O)CCC5=CC=CC=C5
InChI: InChI=1S/C37H38N2O6/c1-44-35(41)30-17-9-15-28(21-30)24-38-32(20-19-26-11-5-3-6-12-26)34(40)33(23-27-13-7-4-8-14-27)39(37(38)43)25-29-16-10-18-31(22-29)36(42)45-2/h3-18,21-22,32-34,40H,19-20,23-25H2,1-2H3/t32-,33-,34-/m0/s1
SMILES: C/C=C/C1=CC(=C(C=C1)OCC(=O)NNC(=S)N[C@H]2CCC[C@H]([C@@H]2C)C)OC
InChI: InChI=1S/C21H31N3O3S/c1-5-7-16-10-11-18(19(12-16)26-4)27-13-20(25)23-24-21(28)22-17-9-6-8-14(2)15(17)3/h5,7,10-12,14-15,17H,6,8-9,13H2,1-4H3,(H,23,25)(H2,22,24,28)/b7-5+/t14-,15+,17+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C
InChI: InChI=1S/C18H24N2O6S/c1-12-7-3-5-9-14(12)19-18(23)20-16(21)11-26-17(22)13-8-4-6-10-15(13)27(2,24)25/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H2,19,20,21,23)/t12-,14+/m1/s1
SMILES: CC(C)NC(=O)N[C@H]1CCN2[C@@H]1C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C24H28N4O5/c1-13(2)25-24(31)27-19-9-10-28-21(19)22(29)26-18-8-5-14(11-17(18)23(28)30)16-7-6-15(32-3)12-20(16)33-4/h5-8,11-13,19,21H,9-10H2,1-4H3,(H,26,29)(H2,25,27,31)/t19-,21-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)COC(=O)CP(=O)(O)O)O
InChI: InChI=1S/C13H18ClN2O9P/c14-2-1-7-4-16(13(20)15-12(7)19)10-3-8(17)9(25-10)5-24-11(18)6-26(21,22)23/h4,8-10,17H,1-3,5-6H2,(H,15,19,20)(H2,21,22,23)/t8-,9+,10+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C[C@@H]3C(=CC(=O)O3)C=C2)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26O12/c1-10(23)28-9-17-19(29-11(2)24)20(30-12(3)25)21(31-13(4)26)22(34-17)32-15-6-5-14-7-18(27)33-16(14)8-15/h5-7,15-17,19-22H,8-9H2,1-4H3/t15-,16-,17-,19-,20+,21-,22-/m1/s1
SMILES: CCOC(=O)C1[C@@H]([C@H](O[Si]1(C(C)C)C(C)C)C2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H34O4Si/c1-6-27-25(26)24-23(28-17-20-13-9-7-10-14-20)22(21-15-11-8-12-16-21)29-30(24,18(2)3)19(4)5/h7-16,18-19,22-24H,6,17H2,1-5H3/t22-,23-,24?/m1/s1
SMILES: C[C@H]1C=C([C@@H]2[C@H]([C@H]1CO[C@H]2C3=CC=C(C=C3)O)C)C
InChI: InChI=1S/C17H22O2/c1-10-8-11(2)16-12(3)15(10)9-19-17(16)13-4-6-14(18)7-5-13/h4-8,10,12,15-18H,9H2,1-3H3/t10-,12-,15-,16+,17-/m0/s1
SMILES: C[C@]12CC/C(=N/OC3=CC=C(C=C3)[N+](=O)[O-])/C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C)O)C
InChI: InChI=1S/C26H36N2O4/c1-24-13-10-18(27-32-20-7-5-19(6-8-20)28(30)31)16-17(24)4-9-21-22(24)11-14-25(2)23(21)12-15-26(25,3)29/h5-8,17,21-23,29H,4,9-16H2,1-3H3/b27-18-/t17-,21+,22-,23-,24-,25-,26-/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H](C[C@H](O2)CCOC3=CC=C(C=C3)OC)O)O[C@@H]1C
InChI: InChI=1S/C20H30O5/c1-14-8-10-20(24-15(14)2)13-16(21)12-19(25-20)9-11-23-18-6-4-17(22-3)5-7-18/h4-7,14-16,19,21H,8-13H2,1-3H3/t14-,15+,16+,19+,20-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CO)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C20H28O2/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(20)12-21/h5,7,11,14,17-19,21H,3-4,6,8-10,12H2,1-2H3/t14-,17-,18-,19+,20-/m1/s1
SMILES: CCC(=O)N1[C@H]([C@@H]2CCO[C@H]2C3=CC=CC=C31)C4=CC=CO4
InChI: InChI=1S/C18H19NO3/c1-2-16(20)19-14-7-4-3-6-12(14)18-13(9-11-22-18)17(19)15-8-5-10-21-15/h3-8,10,13,17-18H,2,9,11H2,1H3/t13-,17+,18-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](N(C(=O)O1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H25NO7S/c1-3-32-25(28)24-23(20-11-13-21(14-12-20)33-17-19-7-5-4-6-8-19)27(26(29)34-24)35(30,31)22-15-9-18(2)10-16-22/h4-16,23-24H,3,17H2,1-2H3/t23-,24-/m1/s1
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)CNC(=O)CCl)C5=CC=CC=C5
InChI: InChI=1S/C30H30ClN3O8/c1-34(2)23-18-10-14-8-17-16(13-6-4-3-5-7-13)9-15(12-33-19(35)11-31)24(36)21(17)25(37)20(14)27(39)30(18,42)28(40)22(26(23)38)29(32)41/h3-7,9,14,18,20,22-23,36,42H,8,10-12H2,1-2H3,(H2,32,41)(H,33,35)/t14-,18-,20?,22?,23-,30-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OC
InChI: InChI=1S/C33H52O4/c1-20(2)22-12-17-33(28(35)36-9)19-18-31(7)23(27(22)33)10-11-25-30(6)15-14-26(37-21(3)34)29(4,5)24(30)13-16-32(25,31)8/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,30-,31+,32+,33-/m0/s1
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)O[C@@H]2C[C@@H](O[C@H]2CO)N3C=C(C(NC3=O)N)F)N4C=C(C(=O)NC4=O)F
InChI: InChI=1S/C18H24F2N5O10P/c19-9-4-25(17(28)22-15(9)21)14-3-11(12(6-26)34-14)35-36(30,31)32-7-8-1-2-13(33-8)24-5-10(20)16(27)23-18(24)29/h4-5,8,11-15,26H,1-3,6-7,21H2,(H,22,28)(H,30,31)(H,23,27,29)/t8-,11+,12-,13+,14+,15?/m0/s1
SMILES: CC1=CC=CC=C1COC(=O)[C@H](C)NP(=O)(OC2C([C@@]([C@@H](O2)N3C=NC4=C3N=CN=C4N(C)NS(=O)(=O)C)(C)O)O)OC5=CC=C(C=C5)Cl
InChI: InChI=1S/C29H35ClN7O10PS/c1-17-8-6-7-9-19(17)14-44-26(39)18(2)34-48(41,46-21-12-10-20(30)11-13-21)47-27-23(38)29(3,40)28(45-27)37-16-33-22-24(31-15-32-25(22)37)36(4)35-49(5,42)43/h6-13,15-16,18,23,27-28,35,38,40H,14H2,1-5H3,(H,34,41)/t18-,23?,27?,28+,29+,48?/m0/s1
SMILES: C/C(=N/NC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2)/C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O3/c1-12(14-8-5-9-15(10-14)21(23)24)19-20-18(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-17H,11H2,1H3,(H,20,22)/b19-12-/t16-,17+/m1/s1
SMILES: CC(C)[C@@H]1[C@H](C(C(CC1=O)(C#N)C#N)(C#N)C#N)C2=CC=C(C=C2)OC
InChI: InChI=1S/C20H18N4O2/c1-13(2)17-16(25)8-19(9-21,10-22)20(11-23,12-24)18(17)14-4-6-15(26-3)7-5-14/h4-7,13,17-18H,8H2,1-3H3/t17-,18+/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1C[C@H]([C@H]([C@@H](O1)[C@H](C(SC2=CC=CC=C2)SC3=CC=CC=C3)O)O)OC(=O)C
InChI: InChI=1S/C25H30O7S2/c1-15(2)30-24(29)20-14-19(31-16(3)26)21(27)23(32-20)22(28)25(33-17-10-6-4-7-11-17)34-18-12-8-5-9-13-18/h4-13,15,19-23,25,27-28H,14H2,1-3H3/t19-,20+,21-,22-,23-/m1/s1
SMILES: CCOC(=O)CCCN[C@H]1[C@@H](C(OC2=C1C=CC(=C2)[N+](=O)[O-])(C)C)O
InChI: InChI=1S/C17H24N2O6/c1-4-24-14(20)6-5-9-18-15-12-8-7-11(19(22)23)10-13(12)25-17(2,3)16(15)21/h7-8,10,15-16,18,21H,4-6,9H2,1-3H3/t15-,16+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](OC1O)COC(=O)C(C)(C)C)OC=O)[C@@H](CC#C)OC
InChI: InChI=1S/C17H26O7/c1-7-8-12(21-6)17(5)13(23-10-18)11(24-15(17)20)9-22-14(19)16(2,3)4/h1,10-13,15,20H,8-9H2,2-6H3/t11-,12-,13-,15?,17-/m1/s1
SMILES: CCO[P@@]1(=O)C=C(O[C@@H]1C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI: InChI=1S/C17H16FO3P/c1-2-20-22(19)12-16(13-6-4-3-5-7-13)21-17(22)14-8-10-15(18)11-9-14/h3-12,17H,2H2,1H3/t17-,22-/m0/s1
SMILES: C1=CC=C(C(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl
InChI: InChI=1S/C13H15ClO7/c14-7-4-2-1-3-6(7)5-20-13-10(17)8(15)9(16)11(21-13)12(18)19/h1-4,8-11,13,15-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@H](C2(C)C)C(=O)[C@@H](CCC1=O)C
InChI: InChI=1S/C15H24O2/c1-9-5-7-11-13(15(11,3)4)14(17)10(2)6-8-12(9)16/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O)CO)O)NC(=O)C)O)O)O
InChI: InChI=1S/C26H45NO20/c1-6-12(32)15(35)17(37)25(41-6)46-21-11(27-7(2)31)24(47-22-14(34)9(4-29)42-23(40)19(22)39)44-10(5-30)20(21)45-26-18(38)16(36)13(33)8(3-28)43-26/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17-,18+,19+,20+,21+,22-,23+,24-,25-,26-/m0/s1
SMILES: CCNC(=O)NC1=CC=CC(=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NC=CN4C
InChI: InChI=1S/C26H32N4O4S/c1-4-27-25(32)29-21-7-5-6-20(14-21)24-33-22(16-35-26-28-12-13-30(26)3)17(2)23(34-24)19-10-8-18(15-31)9-11-19/h5-14,17,22-24,31H,4,15-16H2,1-3H3,(H2,27,29,32)/t17-,22+,23+,24+/m1/s1
SMILES: C[C@H]1C[C@H]2CN3[C@](C1)(O2)CC[C@@]4([C@]35[C@H]([C@]6([C@@H]7CC(=CC(=O)[C@H]7[C@H](C(=O)C6[C@@]4(CC(=O)O5)C)C)C)C)O)C
InChI: InChI=1S/C30H41NO6/c1-15-10-19-22(20(32)11-15)17(3)23(34)24-26(4)13-21(33)37-30(25(35)28(19,24)6)27(26,5)7-8-29-12-16(2)9-18(36-29)14-31(29)30/h11,16-19,22,24-25,35H,7-10,12-14H2,1-6H3/t16-,17+,18-,19+,22-,24?,25-,26-,27-,28-,29-,30+/m0/s1
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CC/C(=N/OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[2H])[2H]
InChI: InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11-/t10-,12-,13+,14-,15+/m1/s1/i1D,2D,3D,4D,5D
SMILES: CN1C2=C([C@@H]([C@H](C(=O)N2)C#N)C3=CC=C(C=C3)Cl)C(=O)N(C1=O)C
InChI: InChI=1S/C16H13ClN4O3/c1-20-13-12(15(23)21(2)16(20)24)11(10(7-18)14(22)19-13)8-3-5-9(17)6-4-8/h3-6,10-11H,1-2H3,(H,19,22)/t10-,11-/m1/s1
SMILES: CCOC1=C(C(=CC(=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3)I)OCC#N
InChI: InChI=1S/C22H21IN4O3S/c1-3-29-17-12-14(11-16(23)20(17)30-10-9-24)19-18(13(2)25-22(31)27-19)21(28)26-15-7-5-4-6-8-15/h4-8,11-12,18-19H,2-3,10H2,1H3,(H,26,28)(H2,25,27,31)/t18-,19+/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC=CC=C8O)C(=O)N(C7=O)C9=CC=C(C=C9)I)C
InChI: InChI=1S/C40H32ClIN4O5S/c1-19-26-16-20(41)8-15-31(26)52-35(19)29-18-32(44(3)43-29)46-37(49)28-17-27-23(34(40(28,2)39(46)51)24-6-4-5-7-30(24)47)13-14-25-33(27)38(50)45(36(25)48)22-11-9-21(42)10-12-22/h4-13,15-16,18,25,27-28,33-34,47H,14,17H2,1-3H3/t25-,27+,28-,33-,34+,40+/m0/s1
SMILES: COC1=CC=C(C=C1)CNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H24N2O4/c1-25-14-8-6-13(7-9-14)12-20-17(22)10-11-21-18(23)15-4-2-3-5-16(15)19(21)24/h6-9,15-16H,2-5,10-12H2,1H3,(H,20,22)/t15-,16-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C20H30N2O3/c1-13-7-6-8-18(14(13)2)21-19(23)15(3)25-20(24)16-9-11-17(12-10-16)22(4)5/h9-15,18H,6-8H2,1-5H3,(H,21,23)/t13-,14-,15-,18+/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=NC=C(C=C1)Cl)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22ClN3O5/c1-10(23-17(25)13-5-3-4-6-14(13)18(23)26)19(27)28-11(2)16(24)22-15-8-7-12(20)9-21-15/h7-11,13-14H,3-6H2,1-2H3,(H,21,22,24)/t10-,11+,13-,14+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@H]1[C@@H](CC[C@@H]1SCCC2=CC=C(C=C2)C3=CC=C(C=C3)Cl)CN4C(=O)C5=CC=CC=C5C4=O
InChI: InChI=1S/C33H34ClNO4S/c1-33(2,3)39-32(38)29-24(20-35-30(36)26-6-4-5-7-27(26)31(35)37)14-17-28(29)40-19-18-21-8-10-22(11-9-21)23-12-15-25(34)16-13-23/h4-13,15-16,24,28-29H,14,17-20H2,1-3H3/t24-,28-,29-/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]4[C@@H]5CC6(C[C@H]7C5CC38CC1C[C@H]9[C@H]8[C@@H]7C4(C6)CC29)S
InChI: InChI=1S/C22H28S/c23-20-4-14-13-6-21-3-9-1-10-12-7-22(8-20,18(14)16(10)21)19(15(13)5-20)17(21)11(12)2-9/h9-19,23H,1-8H2/t9?,10-,11+,12?,13?,14+,15-,16+,17-,18-,19+,20?,21?,22?
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)SC7CCCC7
InChI: InChI=1S/C46H59NO6S/c1-5-26-50-46-42(54-36-17-8-9-18-36)30-40(47-53-45(2,3)4)38-28-33(16-10-12-24-48)37(19-11-13-25-49)43(44(38)46)39-29-35(22-23-41(39)52-46)51-34-21-20-31-14-6-7-15-32(31)27-34/h5-7,14-15,20-23,27-29,33,36-37,42-44,48-49H,1,8-13,16-19,24-26,30H2,2-4H3/t33-,37+,42-,43+,44+,46+/m0/s1
SMILES: CCOC(=O)CC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1C2=CC=CC=C2O[Si](C)(C)C(C)(C)C)C3=C(C=CC(=C3)C(=O)OCC)OCCN4C=CN=C4
InChI: InChI=1S/C38H52N2O8Si/c1-8-43-34(41)18-12-10-11-15-29-26-46-37(47-35(29)30-16-13-14-17-33(30)48-49(6,7)38(3,4)5)31-25-28(36(42)44-9-2)19-20-32(31)45-24-23-40-22-21-39-27-40/h10-11,13-14,16-17,19-22,25,27,29,35,37H,8-9,12,15,18,23-24,26H2,1-7H3/b11-10-/t29-,35+,37+/m1/s1
SMILES: CC[C@@]1([C@@H]2[C@]1(C(=O)OC3=CC=CC=C23)C(=O)C)C(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C22H20O4/c1-4-21(19(24)15-11-9-13(2)10-12-15)18-16-7-5-6-8-17(16)26-20(25)22(18,21)14(3)23/h5-12,18H,4H2,1-3H3/t18-,21-,22+/m1/s1
SMILES: CC(C)(C)C(=O)OCCC[C@H]1[C@@H]2C3=C(CN1CC4=C2C=C(C=C4)F)C=C(C=C3)F
InChI: InChI=1S/C24H27F2NO2/c1-24(2,3)23(28)29-10-4-5-21-22-19-9-8-17(25)11-16(19)14-27(21)13-15-6-7-18(26)12-20(15)22/h6-9,11-12,21-22H,4-5,10,13-14H2,1-3H3/t21-,22+/m0/s1
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3C(=O)N[C@@H]4CCCC[C@@H]4N3
InChI: InChI=1S/C21H30N4O3/c1-28-19-9-5-4-8-18(19)24-10-12-25(13-11-24)20(26)14-17-21(27)23-16-7-3-2-6-15(16)22-17/h4-5,8-9,15-17,22H,2-3,6-7,10-14H2,1H3,(H,23,27)/t15-,16+,17-/m0/s1
SMILES: C[C@@H]1[C@H](CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C23H20Cl4N2O2S/c1-14-22(28-32(30,31)21-11-19(26)10-20(27)12-21)13-29(14)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,14,22-23,28H,13H2,1H3/t14-,22+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O1)[C@@H]([C@@H](O2)CO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H28O4Si/c1-9-7-10-12(16-9)13(11(8-15)17-10)18-19(5,6)14(2,3)4/h9-13,15H,7-8H2,1-6H3/t9-,10-,11+,12+,13-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)Cl
InChI: InChI=1S/C31H26Cl2N2O9/c1-34-28(42)30(32)13-19-16(20(31(30,33)29(34)43)9-3-14-4-10-21(36)23(11-14)44-2)7-8-18-24(19)26(39)35(25(18)38)15-5-6-17(27(40)41)22(37)12-15/h3-7,9-12,18-20,24,36-37H,8,13H2,1-2H3,(H,40,41)/t18-,19+,20-,24-,30+,31-/m0/s1
SMILES: CC[C@@H](C(C)C)C(C([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)OC(=O)C)OC(=O)C)C)C)O)Br
InChI: InChI=1S/C33H53BrO7/c1-9-21(17(2)3)29(34)30(37)18(4)23-10-11-24-22-16-39-31(38)26-14-27(40-19(5)35)28(41-20(6)36)15-33(26,8)25(22)12-13-32(23,24)7/h17-18,21-30,37H,9-16H2,1-8H3/t18-,21-,22-,23+,24-,25-,26+,27-,28+,29?,30?,32+,33+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CCN2CC(=O)NC4=C(C=C(C=C4)Cl)Cl)O)OC
InChI: InChI=1S/C25H30Cl2N2O4/c1-32-17-7-8-18(22(14-17)33-2)24-19-5-3-4-10-25(19,31)11-12-29(24)15-23(30)28-21-9-6-16(26)13-20(21)27/h6-9,13-14,19,24,31H,3-5,10-12,15H2,1-2H3,(H,28,30)/t19-,24-,25-/m0/s1
SMILES: C[C@]12[C@H]3[C@H](CC([C@@H]3O)(C)C)[C@@H]([C@@]14[C@H](O4)C(=O)[C@@]25CO5)O
InChI: InChI=1S/C15H20O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-9,11,16-17H,4-5H2,1-3H3/t6-,7-,8-,9+,11+,13+,14-,15+/m0/s1
SMILES: COC(=O)[C@H]1[C@H]([C@H](N[C@H]1C2CCCO2)C(=O)O)C(=O)OC
InChI: InChI=1S/C13H19NO7/c1-19-12(17)7-8(13(18)20-2)10(11(15)16)14-9(7)6-4-3-5-21-6/h6-10,14H,3-5H2,1-2H3,(H,15,16)/t6?,7-,8+,9-,10-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)CO)CO)O)O)O)O)O
InChI: InChI=1S/C24H42O19/c1-5-9(27)12(30)15(33)22(37-5)42-19-17(35)18(8(4-26)39-21(19)36)41-24-20(14(32)11(29)7(3-25)40-24)43-23-16(34)13(31)10(28)6(2)38-23/h5-36H,3-4H2,1-2H3/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23+,24-/m0/s1