EdisonScientific/glyph-datasets huggingface dataset:
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=C(C=CC(=C8)OC(F)(F)F)O)C(=O)N(C7=O)C9=CC=C(C=C9)N1CCOCC1)C
InChI: InChI=1S/C45H39ClF3N5O7S/c1-22-29-18-23(46)4-13-35(29)62-39(22)33-21-36(51(3)50-33)54-41(57)32-20-30-27(38(44(32,2)43(54)59)31-19-26(9-12-34(31)55)61-45(47,48)49)10-11-28-37(30)42(58)53(40(28)56)25-7-5-24(6-8-25)52-14-16-60-17-15-52/h4-10,12-13,18-19,21,28,30,32,37-38,55H,11,14-17,20H2,1-3H3/t28-,30+,32-,37-,38+,44+/m0/s1
SMILES: CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O.C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.[Na]
InChI: InChI=1S/C23H15F2NO2.C9H12N2O6.Na/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25;12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;/h2-12H,1H3,(H,27,28);1-2,4,6-8,12,14-15H,3H2,(H,10,13,16);/t;4-,6-,7-,8-;/m.1./s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
SMILES: C[C@@H]1[C@@H]2C=C[C@@H]([C@@H]([C@@H]2C(=O)O1)C(=O)OC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C28H34O5Si/c1-19-23-17-16-20(24(26(29)31-5)25(23)27(30)33-19)18-32-34(28(2,3)4,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19-20,23-25H,18H2,1-5H3/t19-,20-,23+,24+,25-/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@H]2C[NH+](CC3)C)C(=O)/C=C/C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C23H23F3N2O/c1-15-6-8-20-18(12-15)19-14-27(2)11-10-21(19)28(20)22(29)9-7-16-4-3-5-17(13-16)23(24,25)26/h3-9,12-13,19,21H,10-11,14H2,1-2H3/p+1/b9-7+/t19-,21-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CCCC2=CNC3=CC=CC=C32
InChI: InChI=1S/C22H30N2O3/c1-15-8-3-5-11-19(15)24-22(26)16(2)27-21(25)13-7-9-17-14-23-20-12-6-4-10-18(17)20/h4,6,10,12,14-16,19,23H,3,5,7-9,11,13H2,1-2H3,(H,24,26)/t15-,16+,19+/m0/s1
SMILES: CCOC(=O)/C=C/CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H32O12/c1-6-28-18(27)10-8-7-9-11-29-22-21(33-16(5)26)20(32-15(4)25)19(31-14(3)24)17(34-22)12-30-13(2)23/h8,10,17,19-22H,6-7,9,11-12H2,1-5H3/b10-8+/t17-,19-,20+,21-,22-/m1/s1
SMILES: C[N@@+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)CC=C
InChI: InChI=1S/C20H23NO3/c1-3-9-21(2)10-8-20-13-5-7-16(23)19(20)24-18-15(22)6-4-12(17(18)20)11-14(13)21/h3-7,13-14,16,19,23H,1,8-11H2,2H3/p+1/t13-,14+,16-,19-,20-,21-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N
InChI: InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6+,8-,9-,10-,11-,14-,15+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=CC(=C5)OC(F)(F)F)O)C(=O)N(C4=O)C6=CC=C(C=C6)C=C
InChI: InChI=1S/C32H24F3NO6/c1-3-16-4-6-17(7-5-16)36-30(40)20-10-9-19-21(27(20)31(36)41)14-23-28(25(38)12-15(2)29(23)39)26(19)22-13-18(8-11-24(22)37)42-32(33,34)35/h3-9,11-13,20-21,26-27,37H,1,10,14H2,2H3/t20-,21+,26+,27-/m0/s1
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H](N2C1)C4=CC=CC=C4)C(=O)N(C3=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C22H21FN2O2/c23-16-10-8-14(9-11-16)13-25-21(26)18-17-7-4-12-24(17)20(19(18)22(25)27)15-5-2-1-3-6-15/h1-3,5-6,8-11,17-20H,4,7,12-13H2/t17-,18-,19-,20-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C29H21ClN2O7/c1-13-9-23(34)26-21(27(13)35)12-20-17(24(26)18-6-5-16(33)11-22(18)30)7-8-19-25(20)29(37)31(28(19)36)14-3-2-4-15(10-14)32(38)39/h2-7,9-11,19-20,24-25,33H,8,12H2,1H3/t19-,20+,24+,25-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=S)NC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C18H28N4S2/c1-11-8-9-15(10-13(11)3)19-17(23)21-22-18(24)20-16-7-5-6-12(2)14(16)4/h8-10,12,14,16H,5-7H2,1-4H3,(H2,19,21,23)(H2,20,22,24)/t12-,14+,16+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h12,18-21,23,28H,6-11,13-17H2,1-5H3/t19-,20+,21+,23-,26+,27-/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=C[C@]([C@H]3C2=O)(O4)CNC(=O)C5=CC=CS5
InChI: InChI=1S/C20H16N2O4S/c23-17(14-7-4-10-27-14)21-11-20-9-8-13(26-20)15-16(20)19(25)22(18(15)24)12-5-2-1-3-6-12/h1-10,13,15-16H,11H2,(H,21,23)/t13-,15-,16+,20-/m0/s1
SMILES: CC1=CC[C@@H]([C@H](C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)C(=O)[O-]
InChI: InChI=1S/C17H18N2O3S/c1-9-3-5-11(16(21)22)12(7-9)15(20)19-17-18-13-6-4-10(2)8-14(13)23-17/h3-4,6,8,11-12H,5,7H2,1-2H3,(H,21,22)(H,18,19,20)/p-1/t11-,12-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@@H]2[C@H](O2)C(=O)C3=CC=CC=C3OCC4=CC=CC=C4
InChI: InChI=1S/C24H22O5/c1-26-17-12-13-20(27-2)19(14-17)23-24(29-23)22(25)18-10-6-7-11-21(18)28-15-16-8-4-3-5-9-16/h3-14,23-24H,15H2,1-2H3/t23-,24-/m1/s1
SMILES: CO[C@H]1[C@H](C[C@@H]2C[NH+]3CCC4=C([C@H]3C[C@H]2[C@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1/t18-,22-,24-,27+,28-,31+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H](CC2=C1NC3=CC=CC=C23)C(=O)OC)C(=O)OC
InChI: InChI=1S/C19H21NO6/c1-4-26-19(23)15-14(18(22)25-3)12(17(21)24-2)9-11-10-7-5-6-8-13(10)20-16(11)15/h5-8,12,14-15,20H,4,9H2,1-3H3/t12-,14+,15-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@@H](C[C@@H](O6)OCCN(CCO)S(=O)(=O)C7=CC=C(C=C7)OC)C8=CSC=C8)OC)OC)OC)OC
InChI: InChI=1S/C50H63N3O11S2/c1-7-32-30-51-15-12-33-24-44(59-3)46(61-5)28-40(33)42(51)22-36(32)23-43-41-29-47(62-6)45(60-4)25-34(41)13-16-53(43)50(55)48-26-37(35-14-21-65-31-35)27-49(64-48)63-20-18-52(17-19-54)66(56,57)39-10-8-38(58-2)9-11-39/h8-11,14,21,24-26,28-29,31-32,36-37,42-43,49,54H,7,12-13,15-20,22-23,27,30H2,1-6H3/t32-,36+,37-,42-,43+,49+/m0/s1
SMILES: COC1=C(C=C2C(=C1)CCN3[C@@]24CCCC[C@@H]4[C@H](C3=O)SC)OC
InChI: InChI=1S/C19H25NO3S/c1-22-15-10-12-7-9-20-18(21)17(24-3)13-6-4-5-8-19(13,20)14(12)11-16(15)23-2/h10-11,13,17H,4-9H2,1-3H3/t13-,17-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)CN2C(=O)[C@@](NC2=O)(CC3C4=CC=CC=C4OC5=CC=CC=C35)[C@H]6C[C@@H]6C(=O)OCC7=CC=C(C=C7)OC
InChI: InChI=1S/C37H34N2O7/c1-43-25-15-11-23(12-16-25)21-39-35(41)37(38-36(39)42,31-19-29(31)34(40)45-22-24-13-17-26(44-2)18-14-24)20-30-27-7-3-5-9-32(27)46-33-10-6-4-8-28(30)33/h3-18,29-31H,19-22H2,1-2H3,(H,38,42)/t29-,31-,37+/m0/s1
SMILES: CC(=O)C[C@H]1[C@]2(C[NH+](C[C@@]1(C(=O)C=C2)[N+](=O)[O-])CC3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H19N3O6/c1-13(22)9-15-17(20(24)25)8-7-16(23)18(15,21(26)27)12-19(11-17)10-14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3/p+1/t15-,17-,18+/m0/s1
SMILES: CON=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)N(CC7=CC=CC8=CC=CC=C87)C(=O)C=CC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C58H59N3O9/c1-3-33-68-58-54(60(38-44-18-12-17-41-14-6-7-19-48(41)44)55(64)30-23-39-21-25-45(26-22-39)61(65)66)37-52(59-67-2)50-35-43(16-8-10-31-62)49(20-9-11-32-63)56(57(50)58)51-36-47(28-29-53(51)70-58)69-46-27-24-40-13-4-5-15-42(40)34-46/h3-7,12-15,17-19,21-30,34-36,43,49,54,56-57,62-63H,1,8-11,16,20,31-33,37-38H2,2H3/t43-,49+,54-,56+,57+,58+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)CN2C=NC3=CC=CC=C3C2=O
InChI: InChI=1S/C19H25N5O2S/c1-12-6-5-9-15(13(12)2)21-19(27)23-22-17(25)10-24-11-20-16-8-4-3-7-14(16)18(24)26/h3-4,7-8,11-13,15H,5-6,9-10H2,1-2H3,(H,22,25)(H2,21,23,27)/t12-,13-,15-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(SC3=CC=CC=C3)Cl)OCC4=CC=CC=C4)C
InChI: InChI=1S/C21H23ClO4S/c1-21(2)25-18-16(23-13-14-9-5-3-6-10-14)17(24-20(18)26-21)19(22)27-15-11-7-4-8-12-15/h3-12,16-20H,13H2,1-2H3/t16-,17-,18+,19?,20+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC3(O2)C[C@H]4CC[C@@]3(C4(C)C)C
InChI: InChI=1S/C23H31F3O11S/c1-10(27)32-14-15(33-11(2)28)17-18(19(16(14)34-12(3)29)37-38(30,31)23(24,25)26)36-22(35-17)9-13-7-8-21(22,6)20(13,4)5/h13-19H,7-9H2,1-6H3/t13-,14+,15+,16-,17-,18-,19+,21-,22?/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]([C@@]2(C1=O)Cl)C6=C(C=C(C=C6OC)O)OC)Cl
InChI: InChI=1S/C27H24Cl2N4O7/c1-30-22(35)26(28)13-17-16(9-10-31-24(37)32(25(38)33(17)31)14-7-5-4-6-8-14)21(27(26,29)23(30)36)20-18(39-2)11-15(34)12-19(20)40-3/h4-9,11-12,17,21,34H,10,13H2,1-3H3/t17-,21-,26-,27+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C20H31N3O4S/c1-15-5-3-4-6-19(15)21-16(2)20(24)22-17-7-9-18(10-8-17)28(25,26)23-11-13-27-14-12-23/h7-10,15-16,19,21H,3-6,11-14H2,1-2H3,(H,22,24)/p+1/t15-,16+,19+/m1/s1
SMILES: C[Si](C)(C)CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C11H24O6Si/c1-18(2,3)5-4-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10+,11+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4C(F)(F)F)O)O
InChI: InChI=1S/C20H20F3N7O5/c1-2-24-17(33)14-12(31)13(32)18(35-14)30-8-27-11-15(25-7-26-16(11)30)29-19(34)28-10-6-4-3-5-9(10)20(21,22)23/h3-8,12-14,18,31-32H,2H2,1H3,(H,24,33)(H2,25,26,28,29,34)/t12-,13+,14-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@](C2=O)(C3(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,30+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1C[C@H](O[C@H]2[C@H]1O[C@@]3(CC[C@@H]([C@H](O[C@H]3C2)CCCO)OCC=C)C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C45H72O7Si2/c1-12-28-47-38-25-26-45(11)42(50-39(38)24-19-27-46)30-40-43(51-45)41(52-53(32(2)3,33(4)5)34(6)7)29-35(49-40)31-48-54(44(8,9)10,36-20-15-13-16-21-36)37-22-17-14-18-23-37/h12-18,20-23,32-35,38-43,46H,1,19,24-31H2,2-11H3/t35-,38-,39+,40+,41-,42-,43+,45+/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)CC(=O)OCC(=O)N2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C21H28N2O4/c1-15(24)22-18-10-8-16(9-11-18)13-21(26)27-14-20(25)23-12-4-6-17-5-2-3-7-19(17)23/h8-11,17,19H,2-7,12-14H2,1H3,(H,22,24)/t17-,19+/m1/s1
SMILES: CC[C@@H]([C@@H]1[C@H](C(=O)OC1(C)C)C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C23H30BrNO4/c1-4-17(20(26)14-10-12-15(24)13-11-14)19-18(22(28)29-23(19,2)3)21(27)25-16-8-6-5-7-9-16/h10-13,16-19H,4-9H2,1-3H3,(H,25,27)/t17-,18-,19+/m0/s1
SMILES: COC(=O)[C@@H]1C[C@]2([C@@H](CC[C@H]2[C@H]3[C@H]1C4=CC=CC=C4CC3)C=C)O
InChI: InChI=1S/C21H26O3/c1-3-14-9-11-18-16-10-8-13-6-4-5-7-15(13)19(16)17(20(22)24-2)12-21(14,18)23/h3-7,14,16-19,23H,1,8-12H2,2H3/t14-,16+,17-,18+,19-,21-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)N[C@@]2(CC[C@@H]3[C@H]2C3)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2O/c1-15(16-8-4-2-5-9-16)22-20(24)23-21(13-12-17-14-19(17)21)18-10-6-3-7-11-18/h2-11,15,17,19H,12-14H2,1H3,(H2,22,23,24)/t15-,17-,19+,21-/m0/s1
SMILES: CCOC(=O)[C@H]([C@@H](C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@H](C(CO)O)NC(=O)CCCC(=O)O
InChI: InChI=1S/C21H36N2O13/c1-4-34-20(33)14(9(2)35-21-18(31)17(30)16(29)10(3)36-21)23-19(32)15(11(25)8-24)22-12(26)6-5-7-13(27)28/h9-11,14-18,21,24-25,29-31H,4-8H2,1-3H3,(H,22,26)(H,23,32)(H,27,28)/t9-,10+,11?,14+,15+,16-,17-,18+,21-/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4=CC=C(C=C4)C(=O)C
InChI: InChI=1S/C25H29N3O6/c1-14(2)16-4-8-19(9-5-16)27-25(31)34-21-13-33-22-20(12-32-23(21)22)28-24(30)26-18-10-6-17(7-11-18)15(3)29/h4-11,14,20-23H,12-13H2,1-3H3,(H,27,31)(H2,26,28,30)/t20-,21+,22+,23+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2C[C@@]2(O[C@@H]([C@H]1OC(=O)C)OC)CO
InChI: InChI=1S/C12H18O7/c1-6(14)17-9-8-4-12(8,5-13)19-11(16-3)10(9)18-7(2)15/h8-11,13H,4-5H2,1-3H3/t8-,9-,10-,11-,12+/m0/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H]([NH+]3C=CC2=C1)C#N)C(=O)N(C4=O)C5=CC(=C(C=C5)F)Cl
InChI: InChI=1S/C21H13ClFN3O2/c22-14-9-12(5-6-15(14)23)26-20(27)17-16(10-24)25-8-7-11-3-1-2-4-13(11)19(25)18(17)21(26)28/h1-9,16-19H/p+1/t16-,17+,18+,19-/m1/s1
SMILES: C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=C\C(=O)O[C@H]3CC(CC(=O)CC(=C)C1)O[C@H]3/C=C/[C@@H]4CC(=CCO4)C
InChI: InChI=1S/C30H40O6/c1-20-12-13-33-25(16-20)10-11-28-29-19-27(35-28)18-23(31)15-21(2)14-22(3)17-26-8-4-6-24(34-26)7-5-9-30(32)36-29/h4-6,9-12,22,24-29H,2,7-8,13-19H2,1,3H3/b9-5-,11-10+/t22-,24-,25+,26-,27?,28-,29-/m0/s1
SMILES: C1C=C(C[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4)Cl
InChI: InChI=1S/C20H16ClN3O2/c21-13-6-11-17-18(12-13)20(26)24(19(17)25)16-9-7-15(8-10-16)23-22-14-4-2-1-3-5-14/h1-10,17-18H,11-12H2/t17-,18+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C3=CC=C(C=C3)O
InChI: InChI=1S/C17H22O3/c1-16(2)12-8-9-17(16,3)14(10-12)20-15(19)11-4-6-13(18)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3/t12-,14-,17+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC=CO3
InChI: InChI=1S/C16H21N3O3S/c1-10-5-3-6-12(11(10)2)17-14(20)9-23-16-19-18-15(22-16)13-7-4-8-21-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,17,20)/t10-,11+,12-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N4[C@@H]3OCCC4)O2
InChI: InChI=1S/C14H17NO5/c1-2-18-12(17)9-8-4-5-14(20-8)10(9)11(16)15-6-3-7-19-13(14)15/h4-5,8-10,13H,2-3,6-7H2,1H3/t8-,9+,10+,13-,14+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(=O)O)C)C(=O)O
InChI: InChI=1S/C33H50O6/c1-19(2)20-10-15-33(28(37)38)17-16-31(6)21(27(20)33)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h20-24,27H,1,8-18H2,2-7H3,(H,34,35)(H,37,38)/t20-,21+,22?,23+,24-,27+,30-,31+,32+,33-/m0/s1
SMILES: CC1(COC2(C[C@H]3CC[C@@H]4[C@H]3[C@H]2C[C@@]4(CO)O)OC1)C
InChI: InChI=1S/C16H26O4/c1-14(2)8-19-16(20-9-14)5-10-3-4-11-13(10)12(16)6-15(11,18)7-17/h10-13,17-18H,3-9H2,1-2H3/t10-,11-,12-,13+,15+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)F)N3CCCCC3)O)C.Cl
InChI: InChI=1S/C16H22FNO2.ClH/c1-16(2)15(19)14(18-8-4-3-5-9-18)12-10-11(17)6-7-13(12)20-16;/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3;1H/t14-,15+;/m1./s1
SMILES: C[C@@H]1[C@H](C(=O)N(C1=O)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)C
InChI: InChI=1S/C20H21NO3/c1-13-4-6-15(7-5-13)12-18-14(2)19(22)21(20(18)23)16-8-10-17(24-3)11-9-16/h4-11,14,18H,12H2,1-3H3/t14-,18-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])C3=C(C)C
InChI: InChI=1S/C21H25NO5/c1-4-27-21(26)12-5-7-13(8-6-12)22-19(23)17-14-9-10-15(16(14)11(2)3)18(17)20(24)25/h5-8,14-15,17-18H,4,9-10H2,1-3H3,(H,22,23)(H,24,25)/p-1/t14-,15+,17+,18-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O)O
InChI: InChI=1S/C22H36O19/c1-34-15-11(27)14(30)21(41-17(15)18(31)32)40-16-8(24)5(23)2-36-22(16)39-7-4-37-20(13(29)10(7)26)38-6-3-35-19(33)12(28)9(6)25/h5-17,19-30,33H,2-4H2,1H3,(H,31,32)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-,15+,16-,17+,19-,20+,21+,22+/m1/s1
SMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(=O)NCCN(C)CCN3C4=CC=CC=C4S[C@H]([C@H](C3=O)OC(=O)C)C5=CC=C(C=C5)OC
InChI: InChI=1S/C38H39N5O7S/c1-24-31(21-28(22-39)37(46)41-24)26-9-15-30(16-10-26)49-23-34(45)40-17-18-42(3)19-20-43-32-7-5-6-8-33(32)51-36(35(38(43)47)50-25(2)44)27-11-13-29(48-4)14-12-27/h5-16,21,35-36H,17-20,23H2,1-4H3,(H,40,45)(H,41,46)/t35-,36+/m1/s1
SMILES: C[C@H](CCC(C1(CO1)C)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C27H44O3/c1-17(5-10-24(29)27(4)16-30-27)21-8-9-22-20-7-6-18-15-19(28)11-13-25(18,2)23(20)12-14-26(21,22)3/h6,17,19-24,28-29H,5,7-16H2,1-4H3/t17-,19+,20+,21-,22+,23+,24?,25+,26-,27?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=C(N(C(=C3)C)C4CC4)C
InChI: InChI=1S/C21H27N3O4/c1-12-6-4-5-7-17(12)24-20(27)19(26)22(21(24)28)11-18(25)16-10-13(2)23(14(16)3)15-8-9-15/h10,12,15,17H,4-9,11H2,1-3H3/t12-,17-/m1/s1
SMILES: CCOC1=CC(=C(C=C1)Br)[C@@]2(C[C@H]([NH+](C[C@H]2C)C)C)O
InChI: InChI=1S/C16H24BrNO2/c1-5-20-13-6-7-15(17)14(8-13)16(19)9-12(3)18(4)10-11(16)2/h6-8,11-12,19H,5,9-10H2,1-4H3/p+1/t11-,12-,16+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3C=CCC4=CC=CC=C4O)OCO2
InChI: InChI=1S/C33H39NO9/c1-33(2,3)43-29(37)16-15-24(19-35)34-31(38)23-17-27-30(41-20-40-27)28(18-23)42-32(39)25-13-6-4-9-21(25)11-8-12-22-10-5-7-14-26(22)36/h4-11,13-14,17,24,27-28,30,35-36H,12,15-16,18-20H2,1-3H3,(H,34,38)/t24-,27+,28+,30+/m0/s1
SMILES: CC(C)[C@H]1CC[C@@]23[C@@]1(C[C@@H]([C@@]2(C(=C)CC3)C)O)C
InChI: InChI=1S/C17H28O/c1-11(2)13-7-9-17-8-6-12(3)16(17,5)14(18)10-15(13,17)4/h11,13-14,18H,3,6-10H2,1-2,4-5H3/t13-,14+,15-,16+,17+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5/C=N/O)O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C47H55NO10/c1-29-38(56-41(49)30-13-7-4-8-14-30)39(57-42(50)31-15-9-5-10-16-31)40(58-43(51)32-17-11-6-12-18-32)44(54-29)55-35-22-24-45(2)33(27-35)19-20-37-36(45)23-25-46(3)34(28-48-53)21-26-47(37,46)52/h4-18,28-29,33-40,44,52-53H,19-27H2,1-3H3/b48-28+/t29-,33+,34+,35-,36-,37+,38-,39+,40+,44+,45-,46+,47-/m0/s1
SMILES: COC1([C@@]2([C@@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)Br)C#N)OC
InChI: InChI=1S/C15H13BrN4O2/c1-21-15(22-2)14(8-18)11(9-4-3-5-10(16)6-9)13(14,7-17)12(19)20-15/h3-6,11H,1-2H3,(H2,19,20)/p+1/t11-,13-,14-/m1/s1
SMILES: CC(CCO)(CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O)O
InChI: InChI=1S/C12H23NO8/c1-12(20,2-3-14)4-7(16)13-8-10(18)9(17)6(5-15)21-11(8)19/h6,8-11,14-15,17-20H,2-5H2,1H3,(H,13,16)/t6-,8-,9+,10-,11+,12?/m1/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C25H33ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,6-7,13,20-23H,1,4-5,8-12,14-16H2,2H3/p+1/t20-,21-,22+,23+,25-/m0/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H25NO5/c1-19-7-5-12-25-27(19)29(34)31(28(25)33)24-11-6-10-23(17-24)30(35)36-18-26(32)22-15-13-21(14-16-22)20-8-3-2-4-9-20/h2-11,13-17,19,25,27H,12,18H2,1H3/t19-,25+,27+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=C(S2)CCC3
InChI: InChI=1S/C18H24N2O4S/c1-11-5-2-3-7-13(11)19-18(23)20-16(21)10-24-17(22)15-9-12-6-4-8-14(12)25-15/h9,11,13H,2-8,10H2,1H3,(H2,19,20,21,23)/t11-,13-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=C(C=C3)F)F
InChI: InChI=1S/C18H16F2N2O5/c19-10-5-6-14(13(20)7-10)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-2,5-7,11-12H,3-4,8-9H2,(H,21,23)/t11-,12-/m0/s1
SMILES: CC[C@@H](C)OC(=O)C1=C(NC2=C([C@H]1C3=CC=C(C=C3)OCC)C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C26H33NO6/c1-7-15(4)33-26(30)21-16(5)27-19-13-14(3)20(25(29)31-6)24(28)23(19)22(21)17-9-11-18(12-10-17)32-8-2/h9-12,14-15,20,22,27H,7-8,13H2,1-6H3/t14-,15+,20-,22-/m0/s1
SMILES: C[Si](C)(C)/C=C/[C@H]1[C@@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI: InChI=1S/C21H23BrOSi/c1-24(2,3)14-13-18-19(15-9-11-17(22)12-10-15)20(18)21(23)16-7-5-4-6-8-16/h4-14,18-20H,1-3H3/b14-13+/t18-,19-,20-/m0/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15+,16+,17-,18-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)O)C)N(C1)CCCl
InChI: InChI=1S/C30H46ClNO2/c1-18-13-27-28(32(17-18)12-11-31)20(3)30(34-27)10-8-23-24-6-5-21-14-22(33)7-9-29(21,4)26(24)15-25(23)19(2)16-30/h5,18,20,22-24,26-28,33H,6-17H2,1-4H3/t18-,20+,22-,23-,24-,26-,27+,28-,29-,30?/m0/s1
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C18H18ClN3O5/c1-27-14-7-6-10(19)8-13(14)16(24)21-20-15(23)9-22-17(25)11-4-2-3-5-12(11)18(22)26/h2-3,6-8,11-12H,4-5,9H2,1H3,(H,20,23)(H,21,24)/t11-,12-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C2[C@@H]([C@@H](C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)CI)F
InChI: InChI=1S/C32H32FIN2O6/c1-20-18-36(31(38)35-29(20)37)30-28(33)26(17-34)27(42-30)19-41-32(21-7-5-4-6-8-21,22-9-13-24(39-2)14-10-22)23-11-15-25(40-3)16-12-23/h4-16,18,26-28,30H,17,19H2,1-3H3,(H,35,37,38)/t26-,27?,28-,30?/m1/s1
SMILES: CC(C)(C)OC[C@@H]1C[C@@H]([C@@H]2[C@H]1OC3(O2)CCCCC3)N4C(=O)N=C(C=N4)N
InChI: InChI=1S/C19H30N4O4/c1-18(2,3)25-11-12-9-13(23-17(24)22-14(20)10-21-23)16-15(12)26-19(27-16)7-5-4-6-8-19/h10,12-13,15-16H,4-9,11H2,1-3H3,(H2,20,22,24)/t12-,13-,15-,16+/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NCC3=CC=CC=C3)C(=O)[O-]
InChI: InChI=1S/C16H17NO3/c18-15(17-9-10-4-2-1-3-5-10)13-11-6-7-12(8-11)14(13)16(19)20/h1-7,11-14H,8-9H2,(H,17,18)(H,19,20)/p-1/t11-,12+,13-,14+/m1/s1
SMILES: CC(C)CCCC[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C28H46O2/c1-19(2)8-6-7-9-21-11-13-25-24-12-10-22-18-23(30-20(3)29)14-16-28(22,5)26(24)15-17-27(21,25)4/h10,19,21,23-26H,6-9,11-18H2,1-5H3/t21-,23+,24-,25+,26+,27-,28+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=CC(=O)OCC(F)(F)F)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C47H52F3N3O13/c1-27(55)36(41(58)51-32(25-54)20-22-35(57)63-44(2,3)4)52-43(60)45-23-33-37-38(65-47(64-37,30-15-7-5-8-16-30)31-17-9-6-10-18-31)40(45)66-53(39(45)42(59)62-33)24-29-14-12-11-13-28(29)19-21-34(56)61-26-46(48,49)50/h5-19,21,27,32-33,36-40,54-55H,20,22-26H2,1-4H3,(H,51,58)(H,52,60)/t27-,32-,33+,36+,37-,38-,39-,40+,45-/m0/s1
SMILES: CC1CO[C@]2(CC1OC(=O)/C=C/C3=CC=CC=C3)[C@]4(CO4)C5CC[C@@H](CC5O2)C(=O)NC6C(C(C(C(O6)CO)O)O)O
InChI: InChI=1S/C30H39NO11/c1-16-14-38-30(12-21(16)40-23(33)10-7-17-5-3-2-4-6-17)29(15-39-29)19-9-8-18(11-20(19)42-30)27(37)31-28-26(36)25(35)24(34)22(13-32)41-28/h2-7,10,16,18-22,24-26,28,32,34-36H,8-9,11-15H2,1H3,(H,31,37)/b10-7+/t16?,18-,19?,20?,21?,22?,24?,25?,26?,28?,29-,30-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)NCC#C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C21H26N4O2S/c1-4-13-22-19(26)14-28-21-24-23-20(16-9-11-17(27-3)12-10-16)25(21)18-8-6-5-7-15(18)2/h1,9-12,15,18H,5-8,13-14H2,2-3H3,(H,22,26)/t15-,18+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H](O[C@H]1C[C@H](C)C(=O)C(C[C@]2(C=CC[C@H](O2)/C=C/CCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC)S(=O)(=O)C5=CC=CC=C5)OC
InChI: InChI=1S/C50H72O9SSi2/c1-10-61(11-2,12-3)59-45-37-47(54-8)57-44(45)36-39(4)48(51)46(60(52,53)41-28-18-13-19-29-41)38-50(55-9)34-25-27-40(58-50)26-17-16-24-35-56-62(49(5,6)7,42-30-20-14-21-31-42)43-32-22-15-23-33-43/h13-15,17-23,25-26,28-34,39-40,44-47H,10-12,16,24,27,35-38H2,1-9H3/b26-17+/t39-,40+,44-,45-,46?,47+,50+/m0/s1
SMILES: CCC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4CC[C@H](C[C@H]4C3=O)C
InChI: InChI=1S/C24H26N2O3/c1-3-16-7-4-5-10-21(16)25-22(27)17-8-6-9-18(14-17)26-23(28)19-12-11-15(2)13-20(19)24(26)29/h4-10,14-15,19-20H,3,11-13H2,1-2H3,(H,25,27)/t15-,19-,20-/m1/s1
SMILES: C[C@@H]1[C@@H](C1C(=O)N2[C@H]3CC[NH2+][C@@H]3[C@@H](C2=O)C)C.[Cl-]
InChI: InChI=1S/C13H20N2O2.ClH/c1-6-7(2)10(6)13(17)15-9-4-5-14-11(9)8(3)12(15)16;/h6-11,14H,4-5H2,1-3H3;1H/t6-,7+,8-,9-,10?,11+;/m0./s1
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4
InChI: InChI=1S/C17H16N2O3S/c1-8-2-5-11-12(6-8)23-17(18-11)19-15(20)13-9-3-4-10(7-9)14(13)16(21)22/h2-6,9-10,13-14H,7H2,1H3,(H,21,22)(H,18,19,20)/t9-,10+,13+,14+/m1/s1
SMILES: CCOC(=O)[C@H]1CCC(=C[C@]1(C)CCC2=COC=C2)O[Si](C)(C)C
InChI: InChI=1S/C19H30O4Si/c1-6-22-18(20)17-8-7-16(23-24(3,4)5)13-19(17,2)11-9-15-10-12-21-14-15/h10,12-14,17H,6-9,11H2,1-5H3/t17-,19+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)N[C@H](C)C4=CC=CC=C4)O)O
InChI: InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14+,15-,16+,20-/m1/s1
SMILES: C[C@H]([C@]12COC(=O)C=C[C@H]1[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]([C@@H]2OC(=O)C)OC(=O)C)([C@@H]([C@@H]([C@@]5([C@]4(CC(=O)[C@@H]6[C@]5(O6)C(=O)OC)O)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C39H50O17/c1-17(51-18(2)40)37-16-50-26(46)12-11-24(37)34(7)14-13-25-35(8,28(34)27(52-19(3)41)30(37)53-20(4)42)31(54-21(5)43)32(55-22(6)44)36(9)38(25,48)15-23(45)29-39(36,56-29)33(47)49-10/h11-12,17,24-25,27-32,48H,13-16H2,1-10H3/t17-,24+,25-,27+,28+,29-,30+,31-,32+,34+,35+,36-,37-,38-,39+/m1/s1