EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)CCNC(=O)N(CCCl)N=O)C
InChI: InChI=1S/C32H54ClN3O3/c1-21(2)7-6-8-22(3)26-9-10-27-29-23(13-17-34-30(38)36(35-39)18-16-33)19-24-20-25(37)11-14-31(24,4)28(29)12-15-32(26,27)5/h19,21-23,25-29,37H,6-18,20H2,1-5H3,(H,34,38)/t22-,23+,25+,26-,27?,28?,29?,31+,32-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2NC(=O)[C@@H]3CN(CCN3S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H29N3O5S2/c28-24(25-22-16-18-11-12-19(22)15-18)23-17-26(33(29,30)20-7-3-1-4-8-20)13-14-27(23)34(31,32)21-9-5-2-6-10-21/h1-10,18-19,22-23H,11-17H2,(H,25,28)/t18-,19+,22-,23+/m1/s1
SMILES: CCC1([C@]2([C@@]1(C(=O)NC2=O)C#N)C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H10ClN3O2/c1-2-13(9-3-5-10(16)6-4-9)14(7-17)11(20)19-12(21)15(13,14)8-18/h3-6H,2H2,1H3,(H,19,20,21)/t13?,14-,15+
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(O5)CO)C(=O)N(C4=O)C
InChI: InChI=1S/C23H21NO6/c1-10-7-16(26)19-15(21(10)27)8-14-12(20(19)17-6-3-11(9-25)30-17)4-5-13-18(14)23(29)24(2)22(13)28/h3-4,6-7,13-14,18,20,25H,5,8-9H2,1-2H3/t13-,14+,18-,20+/m0/s1
SMILES: C1C[C@H]2[C@H](C[C@@H]1OC2=O)C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C13H13NO4/c15-13-10-6-5-8(18-13)7-11(10)9-3-1-2-4-12(9)14(16)17/h1-4,8,10-11H,5-7H2/t8-,10+,11-/m1/s1
SMILES: CCCC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C22H28N2O5/c1-3-6-16-8-10-17(11-9-16)18(25)14-29-19(26)13-24-20(27)22(23-21(24)28)12-5-4-7-15(22)2/h8-11,15H,3-7,12-14H2,1-2H3,(H,23,28)/t15-,22+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCN[C@@H]3C4=C2C=C(C=C4)OC
InChI: InChI=1S/C20H23NO/c1-13-5-7-14(8-6-13)19-17-4-3-11-21-20(17)16-10-9-15(22-2)12-18(16)19/h5-10,12,17,19-21H,3-4,11H2,1-2H3/t17-,19+,20+/m0/s1
SMILES: CC(C)CCC[C@@H](COS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)[O-])O)C)C.[Na+].[Na+]
InChI: InChI=1S/C27H48O9S2.2Na/c1-17(2)6-5-7-18(16-35-37(29,30)31)21-10-11-22-20-9-8-19-14-25(36-38(32,33)34)24(28)15-27(19,4)23(20)12-13-26(21,22)3;;/h17-25,28H,5-16H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t18-,19?,20-,21+,22-,23-,24-,25-,26+,27-;;/m0../s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C(F)(F)P(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O
InChI: InChI=1S/C19H26F2N4O22P4/c20-19(21,48(34,35)46-50(38,39)42-5-7-11(28)13(30)15(44-7)24-3-1-9(26)22-17(24)32)49(36,37)47-51(40,41)43-6-8-12(29)14(31)16(45-8)25-4-2-10(27)23-18(25)33/h1-4,7-8,11-16,28-31H,5-6H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,22,26,32)(H,23,27,33)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES: COC(=O)/C=C/C1=CC=CC=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C4=CC=CC=C4
InChI: InChI=1S/C23H24O2/c1-25-21(24)14-13-16-7-5-6-10-20(16)23-19-12-11-18(15-19)22(23)17-8-3-2-4-9-17/h2-10,13-14,18-19,22-23H,11-12,15H2,1H3/b14-13+/t18-,19+,22+,23+/m1/s1
SMILES: CO[C@@H](C1=CC=CC=C1)C(=O)O[C@H]2[C@H]3CCC[C@]34CCCN4C2=O
InChI: InChI=1S/C19H23NO4/c1-23-15(13-7-3-2-4-8-13)18(22)24-16-14-9-5-10-19(14)11-6-12-20(19)17(16)21/h2-4,7-8,14-16H,5-6,9-12H2,1H3/t14-,15+,16+,19+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=CC(=C2)O)/C=C/C3=CC=C(C=C3)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H32O12/c1-16(30)36-15-25-26(37-17(2)31)27(38-18(3)32)28(39-19(4)33)29(41-25)40-24-13-21(12-22(34)14-24)7-6-20-8-10-23(35-5)11-9-20/h6-14,25-29,34H,15H2,1-5H3/b7-6+/t25-,26-,27+,28-,29-/m1/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=N)C(Cl)(Cl)Cl)OS(=O)(=O)C(F)(F)F)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H27Cl3F3NO7S2/c1-2-40-22-21(36-14-17-11-7-4-8-12-17)20(35-13-16-9-5-3-6-10-16)19(39-41(33,34)25(29,30)31)18(38-22)15-37-23(32)24(26,27)28/h3-12,18-22,32H,2,13-15H2,1H3/t18-,19-,20+,21-,22+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N2CCN(CC2)C3=CC=CC=N3
InChI: InChI=1S/C19H30N4O/c1-15-7-3-4-8-17(15)21-19(24)16(2)22-11-13-23(14-12-22)18-9-5-6-10-20-18/h5-6,9-10,15-17H,3-4,7-8,11-14H2,1-2H3,(H,21,24)/t15-,16+,17+/m0/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@@H](C)C2=C[C@@H]([C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)OC(=O)C)C
InChI: InChI=1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2CCN[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C22H30N2O/c1-22(2,3)18-10-11-20(25-4)17(14-18)15-24-19-12-13-23-21(19)16-8-6-5-7-9-16/h5-11,14,19,21,23-24H,12-13,15H2,1-4H3/t19-,21+/m1/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C[C@H](NO4)C5=CN=CC=C5)C
InChI: InChI=1S/C19H25N3O4S/c1-18(2)13-5-6-19(18)11-27(24,25)22(16(19)8-13)17(23)15-9-14(21-26-15)12-4-3-7-20-10-12/h3-4,7,10,13-16,21H,5-6,8-9,11H2,1-2H3/t13-,14+,15+,16-,19-/m1/s1
SMILES: CCOC(=O)[C@H]1C=C[C@@]2([C@@H]1C(=C)[C@@H](CC[C@H]2C(C)C)C)O
InChI: InChI=1S/C18H28O3/c1-6-21-17(19)14-9-10-18(20)15(11(2)3)8-7-12(4)13(5)16(14)18/h9-12,14-16,20H,5-8H2,1-4H3/t12-,14+,15+,16-,18-/m1/s1
SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C3=C(C4=C(C=C3C2=O)O[C@@H]5[C@H]4CCO5)O
InChI: InChI=1S/C20H16O7/c1-24-8-5-10-15(12(6-8)25-2)19(23)16-11(17(10)21)7-13-14(18(16)22)9-3-4-26-20(9)27-13/h5-7,9,20,22H,3-4H2,1-2H3/t9-,20+/m0/s1
SMILES: CC1=CC(=CC(=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]([NH+]4[C@@H]3C5=CC=CC=C5C=C4)C(=O)C)C
InChI: InChI=1S/C24H22N2O3/c1-13-10-14(2)12-17(11-13)26-23(28)19-20(24(26)29)22-18-7-5-4-6-16(18)8-9-25(22)21(19)15(3)27/h4-12,19-22H,1-3H3/p+1/t19-,20+,21-,22+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H](CC(=O)[C@H](C(=O)O1)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#CC4=CN=C(S4)C5=NN(N=N5)C)C)C)NC(=O)O2)C
InChI: InChI=1S/C37H53N7O10S/c1-11-26-37(7)30(39-35(49)54-37)22(5)28(46)19(2)17-36(6,50-14-12-13-23-18-38-32(55-23)31-40-42-44(10)41-31)27(16-25(45)21(4)33(48)52-26)53-34-29(47)24(43(8)9)15-20(3)51-34/h18-22,24,26-27,29-30,34,47H,11,14-17H2,1-10H3,(H,39,49)/t19-,20-,21-,22+,24+,26-,27-,29-,30-,34?,36+,37-/m1/s1
SMILES: C[C@@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC(C)C)C3=CC(=CC=C3)Cl)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C23H26ClNO5/c1-11(2)30-23(28)18-13(4)25-16-9-12(3)17(22(27)29-5)21(26)20(16)19(18)14-7-6-8-15(24)10-14/h6-8,10-12,17,19,25H,9H2,1-5H3/t12-,17+,19-/m1/s1
SMILES: C1=CC=C(C=C1)NC(=O)CN2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2
InChI: InChI=1S/C18H13F2N5O3/c19-12-7-6-11(8-13(12)20)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,21,26)/t15-,16-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)CCl)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H30BrClO6/c30-29-28(37-25(32)16-31)27(35-19-23-14-8-3-9-15-23)26(34-18-22-12-6-2-7-13-22)24(36-29)20-33-17-21-10-4-1-5-11-21/h1-15,24,26-29H,16-20H2/t24-,26-,27+,28-,29+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC([C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C20H27N10O16P3/c21-15-8-17(25-2-23-15)29(4-27-8)19-12(33)10(31)6(42-19)1-7(44-48(38,39)46-49(40,41)45-47(35,36)37)14-11(32)13(34)20(43-14)30-5-28-9-16(22)24-3-26-18(9)30/h2-7,10-14,19-20,31-34H,1H2,(H,38,39)(H,40,41)(H2,21,23,25)(H2,22,24,26)(H2,35,36,37)/t6-,7?,10-,11+,12-,13-,14-,19-,20-/m1/s1
SMILES: C1=C(C=C(C(=C1O)O)O)[C@@H]2[C@H]([C@@H](C3=C(C=C(C=C3O2)O)O)SC[C@@H](C(=O)O)N)O
InChI: InChI=1S/C18H19NO9S/c19-8(18(26)27)5-29-17-13-9(21)3-7(20)4-12(13)28-16(15(17)25)6-1-10(22)14(24)11(23)2-6/h1-4,8,15-17,20-25H,5,19H2,(H,26,27)/t8-,15+,16+,17+/m0/s1
SMILES: C[C@H]1[C@H](C/C=C\C=C/C=C\[C@@H](CC(=O)NC2=CC(=CC(=C2O)CC/C=C(\[C@@H]1O)/C)O)OC)O
InChI: InChI=1S/C26H35NO6/c1-17-10-9-11-19-14-20(28)15-22(26(19)32)27-24(30)16-21(33-3)12-7-5-4-6-8-13-23(29)18(2)25(17)31/h4-8,10,12,14-15,18,21,23,25,28-29,31-32H,9,11,13,16H2,1-3H3,(H,27,30)/b5-4-,8-6-,12-7-,17-10-/t18-,21-,23-,25-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]2O[C@@H]([C@@]([C@H]1O2)(COCC3=CC=CC=C3)O)COCC4=CC=CC=C4)O
InChI: InChI=1S/C23H28O7/c1-26-20-19(24)22-29-18(14-27-12-16-8-4-2-5-9-16)23(25,21(20)30-22)15-28-13-17-10-6-3-7-11-17/h2-11,18-22,24-25H,12-15H2,1H3/t18-,19-,20-,21+,22-,23-/m1/s1
SMILES: C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1(C4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C
InChI: InChI=1S/C22H30O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,12,15-17,23,26-27H,8-10H2,1-5H3/t12-,15+,16?,17-,20-,21+,22-/m1/s1
SMILES: CC(C)(C)N(CCNC(=O)NCC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NCC(C4=CC=CC=C4)C5=CC=CC=C5)C6CCCCC6
InChI: InChI=1S/C38H52N8O5/c1-38(2,3)46(27-17-11-6-12-18-27)20-19-39-37(50)41-22-30-43-34(40-21-28(25-13-7-4-8-14-25)26-15-9-5-10-16-26)31-35(44-30)45(24-42-31)36-33(49)32(48)29(23-47)51-36/h4-5,7-10,13-16,24,27-29,32-33,36,47-49H,6,11-12,17-23H2,1-3H3,(H2,39,41,50)(H,40,43,44)/t29-,32-,33-,36-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C22H33N3O3S/c1-18-8-10-20(11-9-18)29(27,28)24-15-13-23(14-16-24)17-22(26)25-12-4-6-19-5-2-3-7-21(19)25/h8-11,19,21H,2-7,12-17H2,1H3/p+1/t19-,21-/m1/s1
SMILES: C[C@@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22+,23+,24-,25+,26-,27+/m0/s1
SMILES: CC[C@H]1[C@H](CN1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)O
InChI: InChI=1S/C18H18F2N2O4/c1-2-12-13(23)7-22(12)16-11(19)5-9-15(14(16)20)21(8-3-4-8)6-10(17(9)24)18(25)26/h5-6,8,12-13,23H,2-4,7H2,1H3,(H,25,26)/t12-,13-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4CC[C@@H]([C@@H]3C2=O)O4
InChI: InChI=1S/C16H17NO3/c1-2-9-3-5-10(6-4-9)17-15(18)13-11-7-8-12(20-11)14(13)16(17)19/h3-6,11-14H,2,7-8H2,1H3/t11-,12+,13-,14-/m0/s1
SMILES: CCC(C)C(=O)O[C@@H]1[C@@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@@]5([C@H]4CC(=O)O[C@H]5C6=CC(OC6=O)O)C)[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C
InChI: InChI=1S/C32H42O11/c1-8-14(2)27(37)42-25-22-23(36)31(6,17(29(25,3)4)12-19(33)39-7)16-9-10-30(5)18(32(16)26(22)43-32)13-21(35)40-24(30)15-11-20(34)41-28(15)38/h11,14,16-18,20,22,24-26,34H,8-10,12-13H2,1-7H3/t14?,16-,17+,18-,20?,22-,24+,25-,26-,30-,31-,32-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](O[C@@H](N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C27H23NO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(23-17-9-3-10-18-23)28(25)24-19-11-4-12-20-24/h1-20,25-27H/t25-,26-,27+/m0/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)CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C40H41N3O8S/c1-25-35(24-52-33-18-16-32(17-19-33)41-26(2)45)50-39(51-37(25)30-12-10-28(22-44)11-13-30)31-14-8-27(9-15-31)21-43-36(46)20-34(38(43)47)42-40(48)49-23-29-6-4-3-5-7-29/h3-19,25,34-35,37,39,44H,20-24H2,1-2H3,(H,41,45)(H,42,48)/t25-,34?,35+,37+,39+/m1/s1
SMILES: C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C40H46O8Si/c1-49(2,3)23-22-43-39-38(45-25-29-16-8-5-9-17-29)37(44-24-28-14-6-4-7-15-28)36(41)35(48-39)27-47-40(42)46-26-34-32-20-12-10-18-30(32)31-19-11-13-21-33(31)34/h4-21,34-39,41H,22-27H2,1-3H3/t35-,36-,37+,38-,39-/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)C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC=C(C=C6)I)Cl
InChI: InChI=1S/C27H20Cl3IN2O5/c1-32-24(37)26(29)11-18-15(21(27(26,30)25(32)38)16-7-6-14(34)10-19(16)28)8-9-17-20(18)23(36)33(22(17)35)13-4-2-12(31)3-5-13/h2-8,10,17-18,20-21,34H,9,11H2,1H3/t17-,18+,20-,21+,26+,27-/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)N[C@@H]2C[C@@H]([C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)NC(=O)C
InChI: InChI=1S/C35H56N2O15/c1-9-10-11-12-13-14-15-45-35-30(36-19(2)38)29(33(50-24(7)43)28(52-35)18-47-21(4)40)37-27-16-26(17-46-20(3)39)31(48-22(5)41)34(51-25(8)44)32(27)49-23(6)42/h26-35,37H,9-18H2,1-8H3,(H,36,38)/t26-,27-,28-,29-,30-,31+,32+,33-,34+,35-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=NC(=NC5=C4SC=C5)C6=CC=CC=N6)C(=O)O
InChI: InChI=1S/C34H40N6O7S/c1-33(2,3)47-32(45)37-24-13-8-6-4-5-7-11-20-18-34(20,31(43)44)39-28(41)25-17-21(19-40(25)30(24)42)46-29-26-22(14-16-48-26)36-27(38-29)23-12-9-10-15-35-23/h7,9-12,14-16,20-21,24-25H,4-6,8,13,17-19H2,1-3H3,(H,37,45)(H,39,41)(H,43,44)/b11-7+/t20-,21-,24+,25+,34-/m1/s1
SMILES: CC1=CN2C(=NC(=CC2=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C=C1
InChI: InChI=1S/C20H19N3O5/c1-12-6-7-16-21-13(8-17(24)22(16)9-12)11-28-18(25)10-23-19(26)14-4-2-3-5-15(14)20(23)27/h2-3,6-9,14-15H,4-5,10-11H2,1H3/t14-,15+
SMILES: CC12[C@@H]3[C@H](C(C=C1OC)[C@@H]4[C@H]2C(=O)OC4=O)C(=O)OC3=O
InChI: InChI=1S/C14H12O7/c1-14-5(19-2)3-4(6-8(14)12(17)20-10(6)15)7-9(14)13(18)21-11(7)16/h3-4,6-9H,1-2H3/t4?,6-,7+,8+,9-,14?
SMILES: CC(C)(C(CCC(=C)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
InChI: InChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(18)7-24-15-14(22)13(21)12(20)10(6-17)25-15/h9-15,17-23H,1,4-7H2,2-3H3/t9-,10-,11?,12-,13+,14-,15-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@@H]4[C@H]([C@H]3C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)CC
InChI: InChI=1S/C26H30N2O7/c1-5-27-23(30)14-8-7-13-15(19(14)25(27)32)11-16-21(26(33)28(6-2)24(16)31)20(13)22-17(34-3)9-12(29)10-18(22)35-4/h7,9-10,14-16,19-21,29H,5-6,8,11H2,1-4H3/t14-,15+,16+,19-,20-,21+/m0/s1
SMILES: C[C@@H]1CC[C@H](C(=O)[C@H]1CCC(=O)C)[C@@H](C)C(=O)N(C)C=O
InChI: InChI=1S/C16H25NO4/c1-10-5-7-14(12(3)16(21)17(4)9-18)15(20)13(10)8-6-11(2)19/h9-10,12-14H,5-8H2,1-4H3/t10-,12-,13+,14+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NO)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C20H31NO3/c1-19-9-7-13(22)11-12(19)3-4-14-15-5-6-17(18(23)21-24)20(15,2)10-8-16(14)19/h3,13-17,22,24H,4-11H2,1-2H3,(H,21,23)/t13-,14-,15-,16-,17+,19-,20-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2N)C3=CN(C4=CC=CC=C43)C(=O)C)CCCO
InChI: InChI=1S/C27H31N3O5/c1-3-34-27-19(10-8-14-31)20(21-16-30(17(2)32)24-13-7-4-9-18(21)24)15-25(35-27)26(33)29-23-12-6-5-11-22(23)28/h4-7,9,11-13,15-16,19-20,27,31H,3,8,10,14,28H2,1-2H3,(H,29,33)/t19-,20+,27-/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@@H](C2(C5=CC=CC=C35)C(=O)O)C(=O)N(C4=O)C6=CC=CC=C6F
InChI: InChI=1S/C25H16FNO4/c26-17-11-5-6-12-18(17)27-22(28)20-19-13-7-1-3-9-15(13)25(24(30)31,21(20)23(27)29)16-10-4-2-8-14(16)19/h1-12,19-21H,(H,30,31)/t19?,20-,21-,25?/m1/s1
SMILES: C[C@@H]1CC[C@H]2C(=C)C[C@@H]3C(=O)C=CC[C@]3([C@@]2(C1)O[Si](C)(C)C)C
InChI: InChI=1S/C20H32O2Si/c1-14-9-10-16-15(2)12-17-18(21)8-7-11-19(17,3)20(16,13-14)22-23(4,5)6/h7-8,14,16-17H,2,9-13H2,1,3-6H3/t14-,16+,17-,19-,20+/m1/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)N(N=N3)C4=CC=CC=C4Br
InChI: InChI=1S/C17H13BrN4O3/c1-25-13-9-5-4-8-12(13)21-16(23)14-15(17(21)24)22(20-19-14)11-7-3-2-6-10(11)18/h2-9,14-15H,1H3/t14-,15-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OC(O2)(C5CC5)C6CC6)O
InChI: InChI=1S/C36H48N2O14/c1-18(41)27(33(46)37-12-13-39)38-32(45)20-15-24(31-25(16-20)51-36(52-31,21-8-9-21)22-10-11-22)49-34(47)23-7-3-2-5-19(23)6-4-14-48-35-30(44)29(43)28(42)26(17-40)50-35/h2-7,16,18,21-22,24-31,35,39-44H,8-15,17H2,1H3,(H,37,46)(H,38,45)/t18-,24+,25+,26+,27+,28-,29-,30+,31-,35-/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=S)N[C@@H]3[C@H]([C@@]2(OC4=CC=CC=C34)C)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C25H23N3O2S/c1-16-12-14-18(15-13-16)28-24(31)27-22-19-10-6-7-11-20(19)30-25(28,2)21(22)23(29)26-17-8-4-3-5-9-17/h3-15,21-22H,1-2H3,(H,26,29)(H,27,31)/t21-,22-,25-/m0/s1
SMILES: C[C@H]1[C@@H](C2=CC3=CC(=CC(=C3C(=C2CO1)OCC4=CC=CC=C4)OC)OC)OCOC
InChI: InChI=1S/C25H28O6/c1-16-24(31-15-26-2)20-11-18-10-19(27-3)12-22(28-4)23(18)25(21(20)14-29-16)30-13-17-8-6-5-7-9-17/h5-12,16,24H,13-15H2,1-4H3/t16-,24-/m0/s1
SMILES: C1=CN(N=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c10-8(16)4-1-2-12(11-4)9-7(15)6(14)5(3-13)17-9/h1-2,5-7,9,13-15H,3H2,(H2,10,16)/t5-,6-,7-,9-/m1/s1
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br
InChI: InChI=1S/C24H18BrClN2O3/c1-14-10-11-17(26)13-19(14)27-23(29)20-21(15-6-5-7-16(25)12-15)28(31-22(20)24(27)30)18-8-3-2-4-9-18/h2-13,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C51H64N2O9/c1-4-28-59-51-47(53(2)48(57)25-20-35-14-8-9-15-35)32-44(52-60-34-36-16-6-5-7-17-36)42-30-37(18-10-12-26-54)41(19-11-13-27-55)49(50(42)51)43-31-40(22-24-46(43)62-51)61-39-21-23-45(58-3)38(29-39)33-56/h4-7,16-17,21-24,29-31,33,35,37,41,47,49-50,54-55H,1,8-15,18-20,25-28,32,34H2,2-3H3/t37-,41+,47-,49+,50+,51+/m0/s1
SMILES: CC1=CC=CC=C1[C@H]2CC(=O)[C@H]3[C@@H](N4C(=NC=N4)NC3=C2)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C26H22N4O/c1-16-7-2-4-10-19(16)18-13-22-24(23(31)14-18)25(30-26(29-22)27-15-28-30)21-12-6-9-17-8-3-5-11-20(17)21/h2-13,15,18,24-25H,14H2,1H3,(H,27,28,29)/t18-,24+,25+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](C2=O)NN=C3C(=O)OC
InChI: InChI=1S/C14H13N3O4/c1-7-4-3-5-8(6-7)17-12(18)9-10(13(17)19)15-16-11(9)14(20)21-2/h3-6,9-10,15H,1-2H3/t9-,10-/m1/s1
SMILES: CC[C@@H]1[C@H](C2=CC\3=NC(=C(/C3=C(/C)\[O-])C)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=NCCN(CC)CC)[O-])CC(=O)OC)CCC(=O)NCC(CO)O)C)C.[Pd+2]
InChI: InChI=1S/C44H61N7O7.Pd/c1-10-29-23(4)32-20-37-40(27(8)53)25(6)34(48-37)18-33-24(5)30(13-14-38(55)46-21-28(54)22-52)42(49-33)31(17-39(56)58-9)43-41(26(7)35(50-43)19-36(29)47-32)44(57)45-15-16-51(11-2)12-3;/h18-20,23-24,28-30,47,52-54H,10-17,21-22H2,1-9H3,(H,45,57)(H,46,55);/q;+2/p-2/b32-20?,33-18?,36-19?,40-27+,43-31?;/t23-,24+,28?,29-,30+;/m1./s1
SMILES: C[C@@H]([C@H]1[C@@H](N(C(=O)C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4
InChI: InChI=1S/C24H21ClN2O2/c1-16(26-19-8-4-2-5-9-19)21-22(17-12-14-18(25)15-13-17)27(24(29)23(21)28)20-10-6-3-7-11-20/h2-16,21-22,26H,1H3/t16-,21-,22-/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)SC)NC2=C1)C4=C(C=CC(=C4)OC)OC)C
InChI: InChI=1S/C20H24N4O3S/c1-20(2)9-13-16(14(25)10-20)17(24-18(21-13)22-19(23-24)28-5)12-8-11(26-3)6-7-15(12)27-4/h6-9,16-17H,10H2,1-5H3,(H,21,22,23)/t16-,17-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C/C=C(\C)/CCC=C(C)C)C2=CC=C(C=C2)OC)C(C)C
InChI: InChI=1S/C29H44O3/c1-20(2)9-8-10-22(5)11-18-27(24-13-15-25(31-7)16-14-24)29(30)32-28-19-23(6)12-17-26(28)21(3)4/h9,11,13-16,21,23,26-28H,8,10,12,17-19H2,1-7H3/b22-11+/t23-,26+,27-,28-/m1/s1
SMILES: C[C@@]1(CCO[C@H]1[C@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI: InChI=1S/C27H31NO2/c1-27(29)17-18-30-26(27)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-26,29H,17-21H2,1H3/t25-,26-,27-/m0/s1
SMILES: CON1[C@@H]2CCCC[C@H]2N([C@@]3([C@@]1(C4=CC=CC=C4C3=O)O)O)OC
InChI: InChI=1S/C17H22N2O5/c1-23-18-13-9-5-6-10-14(13)19(24-2)17(22)15(20)11-7-3-4-8-12(11)16(17,18)21/h3-4,7-8,13-14,21-22H,5-6,9-10H2,1-2H3/t13-,14-,16-,17-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C(=O)C=C2C(=O)CC1)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H18O4S/c18-15-10-6-2-5-9-13-14(15)11-16(19)17(13)22(20,21)12-7-3-1-4-8-12/h1,3-4,7-8,11,13,17H,2,5-6,9-10H2/t13-,17+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C3=CC4=NC(=NN4C(=N3)N)C5=CC=CO5
InChI: InChI=1S/C18H22N6O/c19-18-21-15(23-8-7-12-4-1-2-5-13(12)11-23)10-16-20-17(22-24(16)18)14-6-3-9-25-14/h3,6,9-10,12-13H,1-2,4-5,7-8,11H2,(H2,19,21)/t12-,13-/m0/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)C4=CC=CC=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CN7CCC[C@H]7CO
InChI: InChI=1S/C40H42N4O5/c1-26-37(23-44-20-6-8-32(44)25-46)48-40(49-38(26)29-14-12-27(24-45)13-15-29)30-18-16-28(17-19-30)33-9-3-2-7-31(33)21-42-39(47)36-22-41-34-10-4-5-11-35(34)43-36/h2-5,7,9-19,22,26,32,37-38,40,45-46H,6,8,20-21,23-25H2,1H3,(H,42,47)/t26-,32-,37+,38+,40+/m0/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3C[C@@H]4[C@H](C3)C4C(=O)O)F
InChI: InChI=1S/C18H19F2N3O5/c1-8(24)21-4-10-5-23(18(27)28-10)9-2-13(19)16(14(20)3-9)22-6-11-12(7-22)15(11)17(25)26/h2-3,10-12,15H,4-7H2,1H3,(H,21,24)(H,25,26)/t10-,11-,12+,15?/m0/s1
SMILES: COC(=O)C1(C[C@H]2[C@@H](C(=O)[C-]=C2C1)C3=CC=CC=C3)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[W+2]
InChI: InChI=1S/C18H17O5.C5H5.3CO.W/c1-22-16(20)18(17(21)23-2)9-12-8-14(19)15(13(12)10-18)11-6-4-3-5-7-11;1-2-4-5-3-1;3*1-2;/h3-7,13,15H,9-10H2,1-2H3;1-5H;;;;/q-1;;;;;+2/t13-,15+;;;;;/m1...../s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N[C@@H](C3=CC=C(C=C3)C(C)C)C(C)C
InChI: InChI=1S/C24H35N3O3/c1-15(2)18-9-11-19(12-10-18)21(16(3)4)25-20(28)14-27-22(29)24(26-23(27)30)13-7-6-8-17(24)5/h9-12,15-17,21H,6-8,13-14H2,1-5H3,(H,25,28)(H,26,30)/t17-,21-,24+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1CN(C[C@@H]1O[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI: InChI=1S/C22H38N2O3Si/c1-21(2,3)26-20(25)23-18-15-24(14-17-12-10-9-11-13-17)16-19(18)27-28(7,8)22(4,5)6/h9-13,18-19H,14-16H2,1-8H3,(H,23,25)/t18-,19+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@]3([C@H]2C1=O)C4=C(C=CC(=C4)Br)NC3=O)C
InChI: InChI=1S/C18H20BrN3O3/c1-3-4-7-22-15(23)13-9(2)21-18(14(13)16(22)24)11-8-10(19)5-6-12(11)20-17(18)25/h5-6,8-9,13-14,21H,3-4,7H2,1-2H3,(H,20,25)/t9-,13+,14+,18-/m0/s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C16H13F3N2O4S/c17-16(18,19)15(25)11(13(23)10-2-1-7-26-10)12(20-14(24)21-15)8-3-5-9(22)6-4-8/h1-7,11-12,22,25H,(H2,20,21,24)/t11-,12+,15+/m0/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C
InChI: InChI=1S/C34H52O8/c1-19-10-14-24(35)18-23(19)13-12-22-8-7-17-34(6)25(15-16-26(22)34)20(2)9-11-21(3)33(4,5)42-32-29(38)27(36)28(37)30(41-32)31(39)40/h9,11-13,20-21,24-30,32,35-38H,1,7-8,10,14-18H2,2-6H3,(H,39,40)/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,27+,28+,29-,30+,32?,34-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OCCO)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H45N5O5Si2/c1-23(2,3)35(7,8)32-13-16-18(34-36(9,10)24(4,5)6)19(31-12-11-30)22(33-16)29-15-28-17-20(25)26-14-27-21(17)29/h14-16,18-19,22,30H,11-13H2,1-10H3,(H2,25,26,27)/t16-,18-,19-,22-/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2(C([C@@]1(C)C3CC4CC(OC4O3)O)CC[C@@H]([C@]25CO5)OC(=O)C)COC(=O)C)OC(=O)C
InChI: InChI=1S/C26H38O10/c1-13-8-21(34-16(4)29)25(11-31-14(2)27)18(6-7-19(33-15(3)28)26(25)12-32-26)24(13,5)20-9-17-10-22(30)36-23(17)35-20/h13,17-23,30H,6-12H2,1-5H3/t13-,17?,18?,19+,20?,21+,22?,23?,24+,25+,26-/m1/s1
SMILES: CC1(CN([C@H]([C@@H]1CSCC2=CC=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC)C
InChI: InChI=1S/C23H29NO5S2/c1-23(2)16-24(31(26,27)19-12-10-18(28-3)11-13-19)21(22(25)29-4)20(23)15-30-14-17-8-6-5-7-9-17/h5-13,20-21H,14-16H2,1-4H3/t20-,21+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@H]4C(=CC(=O)[C@@H]5[C@@]4(CC[C@H]([C@]5(C)CO)O)C)C2)(CC[C@H]([C@]3(C)C(=O)OC)O)C
InChI: InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25+,27-,28+,29+,30-,31+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6)Br)O)OC)C(=O)N(C5=O)CC7=CC=CS7)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C39H32BrCl2N3O7S/c1-51-22-8-5-20(6-9-22)39-27(36(48)45(38(39)50)43-30-12-7-21(41)16-29(30)42)17-26-24(33(39)19-14-28(40)34(46)31(15-19)52-2)10-11-25-32(26)37(49)44(35(25)47)18-23-4-3-13-53-23/h3-10,12-16,25-27,32-33,43,46H,11,17-18H2,1-2H3/t25-,26+,27-,32-,33-,39+/m0/s1
SMILES: CCOP(=O)([C@@H](C(=O)OCC1=CC=CC=C1)N2[C@@H]([C@@H](C2=O)N)CCC3(OCCO3)COC(=O)C)OCC
InChI: InChI=1S/C24H35N2O10P/c1-4-35-37(30,36-5-2)22(23(29)31-15-18-9-7-6-8-10-18)26-19(20(25)21(26)28)11-12-24(16-32-17(3)27)33-13-14-34-24/h6-10,19-20,22H,4-5,11-16,25H2,1-3H3/t19-,20+,22+/m1/s1
SMILES: C1CN([C@@H](CN1CC2=CN=CC=C2)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C34H40F3N5O4/c35-34(36,37)22-39-33(46)29-21-41(19-24-9-6-12-38-18-24)13-14-42(29)20-27(43)16-26(15-23-7-2-1-3-8-23)32(45)40-31-28-11-5-4-10-25(28)17-30(31)44/h1-12,18,26-27,29-31,43-44H,13-17,19-22H2,(H,39,46)(H,40,45)/t26-,27+,29+,30-,31+/m1/s1
SMILES: C[C@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(CC3=NC=CN3)C4=CC=C(C=C4)Br)O)C(OC)OC
InChI: InChI=1S/C23H25BrN4O6/c1-23(22(32-2)33-3)21(29)20(17-12-16(28(30)31)8-9-18(17)34-23)27(13-19-25-10-11-26-19)15-6-4-14(24)5-7-15/h4-12,20-22,29H,13H2,1-3H3,(H,25,26)/t20-,21+,23+/m1/s1