EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C30H30N2O6/c1-29(2,3)38-28(34)31-30(27(33)37-20-21-14-16-25(17-15-21)32(35)36)19-24(30)18-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-18,24H,19-20H2,1-3H3,(H,31,34)/t24-,30-/m1/s1
SMILES: C1[C@@H]([C@H](CN[C@H]1C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3
InChI: InChI=1S/C18H19NO2/c20-18(21)16-12-19-17(14-9-5-2-6-10-14)11-15(16)13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2,(H,20,21)/t15-,16+,17-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC5=CC(=CC=C5)OC(C)C(=O)OC6=CC=CC=C6OC)C
InChI: InChI=1S/C31H38O9/c1-18-13-14-24-19(2)28(37-29-31(24)23(18)15-16-30(4,38-29)39-40-31)35-22-10-8-9-21(17-22)34-20(3)27(32)36-26-12-7-6-11-25(26)33-5/h6-12,17-20,23-24,28-29H,13-16H2,1-5H3/t18-,19-,20?,23+,24+,28-,29-,30-,31-/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC(=O)[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-17,19H,4-11H2,1-3H3/t13-,15+,16-,17-,19-,20-,21+/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C19H27N3O2/c1-13(22-11-10-14-4-2-3-5-16(14)12-22)19(24)21-17-8-6-15(7-9-17)18(20)23/h6-9,13-14,16H,2-5,10-12H2,1H3,(H2,20,23)(H,21,24)/p+1/t13-,14-,16+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F
InChI: InChI=1S/C19H26FNO3S/c1-13-4-3-5-17(14(13)2)21-18(22)12-24-19(23)10-11-25-16-8-6-15(20)7-9-16/h6-9,13-14,17H,3-5,10-12H2,1-2H3,(H,21,22)/t13-,14-,17+/m1/s1
SMILES: C1C(=O)NC2=C(C(=O)N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C11H16N4O12P2/c16-5-1-12-10(19)6-9(14-5)13-3-15(6)11-8(18)7(17)4(26-11)2-25-29(23,24)27-28(20,21)22/h3-4,7-8,11,17-18H,1-2H2,(H,12,19)(H,14,16)(H,23,24)(H2,20,21,22)/t4-,7-,8-,11-/m1/s1
SMILES: CC(=O)C[C@H]([C@H]1[C@H](C(=O)N1C2=CC=CC=C2)OCC=C)O
InChI: InChI=1S/C16H19NO4/c1-3-9-21-15-14(13(19)10-11(2)18)17(16(15)20)12-7-5-4-6-8-12/h3-8,13-15,19H,1,9-10H2,2H3/t13-,14+,15-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@]45CO[C@H]([C@@H]4O)[C@@H](O5)C6=CC=CC=C6
InChI: InChI=1S/C33H32O6/c1-35-27-17-13-25(14-18-27)33(24-11-7-4-8-12-24,26-15-19-28(36-2)20-16-26)38-22-32-21-37-30(31(32)34)29(39-32)23-9-5-3-6-10-23/h3-20,29-31,34H,21-22H2,1-2H3/t29-,30-,31-,32+/m0/s1
SMILES: CC1=C(CC[C@]2([C@H]1CCC3=C(C(=CC(=C32)OC)C(C)C)OC)C)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C22H29F3O5S/c1-12(2)15-11-18(28-5)19-14(20(15)29-6)7-8-16-13(3)17(9-10-21(16,19)4)30-31(26,27)22(23,24)25/h11-12,16H,7-10H2,1-6H3/t16-,21-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)N(C)C)C7=CC(=C(C(=C7)Cl)O)OC
InChI: InChI=1S/C38H33ClN4O6/c1-19-15-30(44)28-18-27-25(32(34(28)35(19)45)20-16-29(39)36(46)31(17-20)49-4)13-14-26-33(27)38(48)43(37(26)47)24-11-7-22(8-12-24)41-40-21-5-9-23(10-6-21)42(2)3/h5-13,15-17,26-27,32-33,46H,14,18H2,1-4H3/t26-,27+,32-,33-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C24H27N3O2S/c1-16-9-8-14-21(17(16)2)27-23(29)19-12-6-7-13-20(19)26-24(27)30-15-22(28)25-18-10-4-3-5-11-18/h3-7,10-13,16-17,21H,8-9,14-15H2,1-2H3,(H,25,28)/t16-,17-,21+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H31N3O2/c26-21(25-11-10-18-6-4-5-9-20(18)16-25)17-23-12-14-24(15-13-23)22(27)19-7-2-1-3-8-19/h1-3,7-8,18,20H,4-6,9-17H2/t18-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CSC4=C(C=CC(=C4)Cl)Cl)/C=C/CSC5=NC(=NC(=C5)N)N
InChI: InChI=1S/C30H28Cl2N6O5S3/c1-42-19-7-4-16(5-8-19)13-43-29(41)26-17(3-2-10-44-24-12-22(33)35-30(34)37-24)14-46-28-25(27(40)38(26)28)36-23(39)15-45-21-11-18(31)6-9-20(21)32/h2-9,11-12,25,28H,10,13-15H2,1H3,(H,36,39)(H4,33,34,35,37)/b3-2+/t25-,28-/m1/s1
SMILES: C1[C@H]\2[C@H](C(=O)N(/C2=C/[Se]C3=CC=CC=C3)CC4=CC=CC=C4)N=N1.C1[C@@H]2[C@@H](/C(=C\[Se]C3=CC=CC=C3)/N(C2=O)CC4=CC=CC=C4)N=N1
InChI: InChI=1S/2C19H17N3OSe/c23-19-16-11-20-21-18(16)17(13-24-15-9-5-2-6-10-15)22(19)12-14-7-3-1-4-8-14;23-19-18-16(11-20-21-18)17(13-24-15-9-5-2-6-10-15)22(19)12-14-7-3-1-4-8-14/h2*1-10,13,16,18H,11-12H2/b2*17-13+/t16-,18+;16-,18-/m11/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC(C)C
InChI: InChI=1S/C21H26FN3O3/c1-4-5-8-25-18(26)16-15(9-11(2)3)24-21(17(16)19(25)27)13-10-12(22)6-7-14(13)23-20(21)28/h6-7,10-11,15-17,24H,4-5,8-9H2,1-3H3,(H,23,28)/p+1/t15-,16-,17+,21-/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H](N3)[C@H](C)O)C(=O)N(C4=O)CC5=CC=C(C=C5)OC)C(=O)N2)C
InChI: InChI=1S/C25H27N3O5/c1-12-5-10-17-20(13(12)2)26-24(32)25(17)19-18(21(27-25)14(3)29)22(30)28(23(19)31)11-15-6-8-16(33-4)9-7-15/h5-10,14,18-19,21,27,29H,11H2,1-4H3,(H,26,32)/t14-,18-,19-,21+,25+/m0/s1
SMILES: CN(C[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4
InChI: InChI=1S/C19H28N2O3S2/c1-20(13-17-12-14-4-5-16(17)11-14)19(22)15-6-8-21(9-7-15)26(23,24)18-3-2-10-25-18/h2-3,10,14-17H,4-9,11-13H2,1H3/t14-,16+,17+/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](CSCC[C@@H](C(=O)O)N)OP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
InChI: InChI=1S/C15H26N7O14P3S/c16-6(15(25)26)1-2-40-3-7(35-39(32,33)36-38(30,31)21-37(27,28)29)11-9(23)10(24)14(34-11)22-5-20-8-12(17)18-4-19-13(8)22/h4-7,9-11,14,23-24H,1-3,16H2,(H,25,26)(H,32,33)(H2,17,18,19)(H4,21,27,28,29,30,31)/t6-,7-,9-,10+,11+,14+/m0/s1
SMILES: CCOC(=O)OC(=O)[C@H]1[C@@H](OC(O1)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H30O7Si/c1-9-19-14(18)21-13(17)12-11(22-16(5,6)23-12)10-20-24(7,8)15(2,3)4/h11-12H,9-10H2,1-8H3/t11-,12+/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)N)O)C
InChI: InChI=1S/C27H45NO2/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(28)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24?,25+,27-/m1/s1
SMILES: C/C(=C\CO)/C[C@H]1[C@H](COC(O1)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C16H29NO5/c1-11(7-8-18)9-13-12(10-20-16(5,6)21-13)17-14(19)22-15(2,3)4/h7,12-13,18H,8-10H2,1-6H3,(H,17,19)/b11-7+/t12-,13-/m0/s1
SMILES: C[C@@]1(CC[C@H]2[C@@]3(CC[C@H](C([C@H]3CC[C@@]2(O1)C)(C)C)O)C)C=C
InChI: InChI=1S/C20H34O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15+,16-,18+,19-,20+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@@H](CC(=O)[C@@H]3CC(=O)O)OC4CCCCO4
InChI: InChI=1S/C29H38O6Si/c1-29(2,3)36(21-12-6-4-7-13-21,22-14-8-5-9-15-22)34-20-24-23(18-27(31)32)25(30)19-26(24)35-28-16-10-11-17-33-28/h4-9,12-15,23-24,26,28H,10-11,16-20H2,1-3H3,(H,31,32)/t23-,24-,26-,28?/m1/s1
SMILES: COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OCCOCC9=CC=CC=C9)OCC=C)C=O
InChI: InChI=1S/C63H67N3O13/c1-3-32-76-63-59(65(39-47-19-13-18-45-16-7-8-20-52(45)47)62(70)75-34-33-74-41-43-14-5-4-6-15-43)38-56(64-77-42-44-22-24-49(25-23-44)66(71)72)54-36-46(17-9-11-30-67)53(21-10-12-31-68)60(61(54)63)55-37-51(27-29-58(55)79-63)78-50-26-28-57(73-2)48(35-50)40-69/h3-8,13-16,18-20,22-29,35-37,40,46,53,59-61,67-68H,1,9-12,17,21,30-34,38-39,41-42H2,2H3/t46-,53+,59-,60+,61+,63+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C
InChI: InChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)/t10-,13+,15+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@@H]3[C@H](O2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H15Cl2N3O5/c24-17-11-10-16(12-18(17)25)26-22(29)19-20(13-6-8-15(9-7-13)28(31)32)27(33-21(19)23(26)30)14-4-2-1-3-5-14/h1-12,19-21H/t19-,20-,21+/m1/s1
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C
InChI: InChI=1S/C23H35NO6/c1-6-27-19-13-17(14-20(28-7-2)21(19)29-8-3)23(26)30-16(5)22(25)24-18-12-10-9-11-15(18)4/h13-16,18H,6-12H2,1-5H3,(H,24,25)/t15-,16-,18-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H](CN2C=NC3=C(N=CN=C32)N)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C13H22N5O15P3/c14-11-8-12(16-4-15-11)18(5-17-8)1-6(31-34(20,21)22)2-29-13-9(19)10(33-36(26,27)28)7(3-30-13)32-35(23,24)25/h4-7,9-10,13,19H,1-3H2,(H2,14,15,16)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/t6-,7+,9+,10-,13-/m0/s1
SMILES: C/C(=N\NC(=O)CC#N)/C1=CC=C(C=C1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H20N4O3/c1-12(21-22-17(24)10-11-20)13-6-8-14(9-7-13)23-18(25)15-4-2-3-5-16(15)19(23)26/h6-9,15-16H,2-5,10H2,1H3,(H,22,24)/b21-12+/t15-,16-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)O2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H16O8/c1-5(13)16-4-8-9(17-6(2)14)10(18-7(3)15)11-12(19-8)20-11/h8-12H,4H2,1-3H3/t8-,9-,10+,11-,12-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C51H54N4O10/c1-31(2)40(46(58)63-3)53-49(61)54-38-23-18-32(24-27-50(62)25-12-4-5-13-26-50)30-37(38)51(48(54)60)39(45(52)57)42-47(59)65-43(34-16-10-7-11-17-34)41(33-14-8-6-9-15-33)55(42)44(51)35-19-21-36(22-20-35)64-29-28-56/h6-11,14-23,30-31,39-44,56,62H,4-5,12-13,25-26,28-29H2,1-3H3,(H2,52,57)(H,53,61)/t39-,40+,41-,42-,43+,44+,51-/m1/s1
SMILES: C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2([C@H](C=C1C)O)C)O)C)C)(C)C)O)C
InChI: InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h15,18-25,31-33H,9-14,16H2,1-8H3/t18-,19-,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2CCCCC2)O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H28O9/c1-10(19)23-9-14-16(24-11(2)20)17(25-12(3)21)15(22)18(27-14)26-13-7-5-4-6-8-13/h13-18,22H,4-9H2,1-3H3/t14-,15-,16+,17-,18-/m1/s1
SMILES: C1C[C@@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2[N+](C1)(CCC4)[O-]
InChI: InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12-,13-,15+,17?/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](C1=O)N=[N+]=[N-])CCC2=CC=CC=C2
InChI: InChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)20-12(13(14(20)21)18-19-17)10-9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3/t12-,13-/m1/s1
SMILES: CC[C@H](C)[C@H]1C2=N[C@@H](CO2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N1)C(C)C)[C@@H](C)CC)C(C)C
InChI: InChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H]([NH+]4C=CC5=CC=CC=C5[C@H]4[C@@H]3C2=O)C#N
InChI: InChI=1S/C22H17N3O3/c1-28-15-8-6-14(7-9-15)25-21(26)18-17(12-23)24-11-10-13-4-2-3-5-16(13)20(24)19(18)22(25)27/h2-11,17-20H,1H3/p+1/t17-,18+,19+,20-/m0/s1
SMILES: CC1(CC(CC(N1[O])(C)C)O[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)C
InChI: InChI=1S/C30H36NO9/c1-29(2)11-16(12-30(3,4)31(29)34)40-27-18-10-21-20(38-14-39-21)9-17(18)24(25-19(27)13-37-28(25)33)15-7-22(35-5)26(32)23(8-15)36-6/h7-10,16,19,24-25,27,32H,11-14H2,1-6H3/t19-,24+,25-,27+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C2NN=C4C(F)(F)F)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C21H23F3N2O/c1-20-8-7-14-13-6-4-12(27-2)9-11(13)3-5-15(14)17(20)10-16-18(20)25-26-19(16)21(22,23)24/h4,6,9,14-15,17H,3,5,7-8,10H2,1-2H3,(H,25,26)/t14-,15-,17+,20+/m1/s1
SMILES: CC1C[C@H]2CN([C@@H]([C@H]2C1)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)C(C)C)C(=O)[C@H](C5CCCCC5)NC(=O)OC(C)(C)C
InChI: InChI=1S/C42H61N5O8/c1-24(2)36(49)33(27-13-9-7-10-14-27)45-32(48)22-43-39(52)37(50)31(21-26-17-18-26)44-38(51)35-30-20-25(3)19-29(30)23-47(35)40(53)34(28-15-11-8-12-16-28)46-41(54)55-42(4,5)6/h7,9-10,13-14,24-26,28-31,33-35H,8,11-12,15-23H2,1-6H3,(H,43,52)(H,44,51)(H,45,48)(H,46,54)/t25?,29-,30-,31?,33-,34-,35-/m0/s1
SMILES: COC(=O)[C@@]12CCCC[C@@]1(CC(=O)C[C@H]2[Si](C)(C)C3=CC=CC=C3)O
InChI: InChI=1S/C20H28O4Si/c1-24-18(22)20-12-8-7-11-19(20,23)14-15(21)13-17(20)25(2,3)16-9-5-4-6-10-16/h4-6,9-10,17,23H,7-8,11-14H2,1-3H3/t17-,19+,20+/m1/s1
SMILES: C1C[C@@H]2CN3C[C@H]4CCC[C@H]4C5=C3C(=CC(=C5)C(=O)O)[C@@H]2C1
InChI: InChI=1S/C19H23NO2/c21-19(22)13-7-16-14-5-1-3-11(14)9-20-10-12-4-2-6-15(12)17(8-13)18(16)20/h7-8,11-12,14-15H,1-6,9-10H2,(H,21,22)/t11-,12-,14-,15-/m1/s1
SMILES: CC1([C@]2([C@@]1([C@H]3[C@@H]2CC=C3)C4=CC=CC(=C4)C#N)C5=CC=CC(=C5)C#N)C
InChI: InChI=1S/C24H20N2/c1-22(2)23(18-8-3-6-16(12-18)14-25)20-10-5-11-21(20)24(22,23)19-9-4-7-17(13-19)15-26/h3-10,12-13,20-21H,11H2,1-2H3/t20-,21+,23-,24+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCC4=CC5=C(C=C4)C=NN5)/CO2)C)C)(C)O
InChI: InChI=1S/C41H61N5O11/c1-11-33-41(8,51)34-16-30(43-26(6)47)22(2)17-40(7,53-21-29(20-52-34)45-54-19-27-12-13-28-18-42-44-31(28)15-27)37(24(4)35(48)25(5)38(50)56-33)57-39-36(49)32(46(9)10)14-23(3)55-39/h12-13,15,18,22-25,32-34,36-37,39,49,51H,11,14,16-17,19-21H2,1-10H3,(H,42,44)/b43-30?,45-29-/t22-,23-,24+,25-,32+,33-,34-,36-,37-,39+,40-,41-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4C)C
InChI: InChI=1S/C24H26N2O3/c1-14-7-12-19-20(13-14)24(29)26(23(19)28)18-10-8-17(9-11-18)22(27)25-21-6-4-5-15(2)16(21)3/h4-6,8-11,14,19-20H,7,12-13H2,1-3H3,(H,25,27)/t14-,19+,20+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C3CCN=C4C3=C2C(=O)C5=C4[C@@]67C[C@@H](N5)S[C@@H]6CC(=O)C(=C7)Br
InChI: InChI=1S/C25H20BrN3O4S2/c1-12-2-4-14(5-3-12)35(32,33)29-11-13-6-7-27-21-19(13)23(29)24(31)22-20(21)25-9-15(26)16(30)8-17(25)34-18(10-25)28-22/h2-5,9,11,17-18,28H,6-8,10H2,1H3/t17-,18+,25+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)O
InChI: InChI=1S/C41H33N3O6/c1-22-20-24(14-19-32(22)45)35-27-17-18-28-34(29(27)21-30-38(47)44(40(49)41(30,35)2)25-8-4-3-5-9-25)39(48)43(37(28)46)26-15-12-23(13-16-26)36-42-31-10-6-7-11-33(31)50-36/h3-17,19-20,28-30,34-35,45H,18,21H2,1-2H3/t28-,29+,30-,34-,35-,41+/m0/s1
SMILES: C=CCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC=C
InChI: InChI=1S/C18H20N2O4/c1-4-10-23-14-8-6-13(7-9-14)16-15(17(21)24-11-5-2)12(3)19-18(22)20-16/h4-9,15-16H,1-3,10-11H2,(H2,19,20,22)/t15-,16+/m0/s1
SMILES: C1[C@@H]([C@@H]2CO[C@@H](C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CS4
InChI: InChI=1S/C15H11F3N2O3S2/c16-15(17,18)12-4-7(10-2-1-3-24-10)19-14(20-12)25-11-5-8(21)13-22-6-9(11)23-13/h1-4,9,11,13H,5-6H2/t9-,11-,13+/m0/s1
SMILES: C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=CC=C5)O)OCCCC6=CC=CC=C6
InChI: InChI=1S/C29H35NO3/c31-24-13-14-29(33-17-5-8-21-6-2-1-3-7-21)26-18-23-9-4-10-25(32)27(23)28(29,19-24)15-16-30(26)20-22-11-12-22/h1-4,6-7,9-10,22,26,32H,5,8,11-20H2/t26-,28-,29-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)I)OC(O2)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C40H45IN2O10/c1-24(45)34(37(48)42-30(23-44)19-20-33(46)52-39(2,3)4)43-36(47)26-21-31(50-38(49)25-15-17-29(41)18-16-25)35-32(22-26)51-40(53-35,27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-18,22,24,30-32,34-35,44-45H,19-21,23H2,1-4H3,(H,42,48)(H,43,47)/t24-,30-,31+,32+,34+,35-/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@@H]([C@@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C47H40N2O6/c50-41-31-32-49(45(52)48-41)44-42(51)43(55-47(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)40(54-44)33-53-46(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36/h1-32,40,42-44,51H,33H2,(H,48,50,52)/t40-,42+,43+,44-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC
InChI: InChI=1S/C45H41ClN6O9/c1-5-61-35-16-10-15-29(39(35)53)38-28-17-20-50-43(57)49(19-18-31-41(55)48(2)34-24-37(60-4)36(59-3)23-32(34)47-31)44(58)52(50)33(28)22-30-40(54)51(27-14-9-13-26(46)21-27)42(56)45(30,38)25-11-7-6-8-12-25/h6-17,21,23-24,30,33,38,53H,5,18-20,22H2,1-4H3/t30-,33+,38+,45+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OCC=C)O)O)OCC=C)O
InChI: InChI=1S/C20H28O7/c1-4-10-25-18-15(21)16(22)19(26-11-5-2)20(17(18)23)27-12-13-6-8-14(24-3)9-7-13/h4-9,15-23H,1-2,10-12H2,3H3/t15-,16+,17-,18+,19+,20+/m0/s1
SMILES: C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C3CCC2([C@@]1(C)O)C)C
InChI: InChI=1S/C21H30O2/c1-13-11-18-16-6-5-14-12-15(22)7-9-19(14,2)17(16)8-10-20(18,3)21(13,4)23/h7,9,12-13,16-18,23H,5-6,8,10-11H2,1-4H3/t13-,16?,17?,18?,19?,20?,21+/m1/s1
SMILES: CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC/C(=C/CC3=C(C=CC(=C3)CO)OCOC)/C
InChI: InChI=1S/C29H44O3/c1-21(8-12-24-18-23(19-30)11-14-26(24)32-20-31-6)9-13-25-22(2)10-15-27-28(3,4)16-7-17-29(25,27)5/h8,11,14,18,27,30H,7,9-10,12-13,15-17,19-20H2,1-6H3/b21-8+/t27-,29+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H](CC(=O)O2)[C@H](C(=O)[C@@H](C[C@@]3([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C(=N/OCC4=C5C(=CC=C4)N=CC=N5)/CO3)C)O[C@H]6[C@@H]([C@H](C[C@H](O6)C)N(C)C)O)C)C)C)C
InChI: InChI=1S/C43H62N4O11/c1-11-33-43(8)30(18-34(48)58-43)25(4)36(49)23(2)19-42(7)39(57-41-37(50)32(47(9)10)17-24(3)55-41)26(5)38(27(6)40(51)56-33)52-21-29(22-53-42)46-54-20-28-13-12-14-31-35(28)45-16-15-44-31/h12-16,23-27,30,32-33,37-39,41,50H,11,17-22H2,1-10H3/b46-29-/t23-,24-,25-,26+,27-,30+,32+,33-,37-,38+,39-,41+,42-,43+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC)NC
InChI: InChI=1S/C25H35N3O6/c1-14(2)9-19(26-3)23(31)27-18-10-17(12-21(29)22(18)30)24(32)28-13-16-8-6-5-7-15(16)11-20(28)25(33)34-4/h5-8,10,14,18-22,26,29-30H,9,11-13H2,1-4H3,(H,27,31)/t18-,19+,20+,21-,22-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)O
InChI: InChI=1S/C20H27N3O5/c24-14-6-17(23-2-1-16(25)22-19(23)27)28-15(14)10-21-18(26)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-15,17,24H,3-10H2,(H,21,26)(H,22,25,27)/t11?,12?,13?,14-,15+,17+,20?/m0/s1
SMILES: C[C@@]12C[C@@H](C=C(N1[C@H]([C@@H](O2)C3=CC=CC=C3)COC)C#N)CO
InChI: InChI=1S/C18H22N2O3/c1-18-9-13(11-21)8-15(10-19)20(18)16(12-22-2)17(23-18)14-6-4-3-5-7-14/h3-8,13,16-17,21H,9,11-12H2,1-2H3/t13-,16+,17+,18-/m1/s1
SMILES: CN(C)C=NC1=C2C=CN(C2=CC=C1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C16H21N3O3/c1-18(2)10-17-12-4-3-5-13-11(12)6-7-19(13)16-8-14(21)15(9-20)22-16/h3-7,10,14-16,20-21H,8-9H2,1-2H3/t14-,15+,16+/m0/s1
SMILES: C1=CC2=C3C(=C1)C4=C([C@H]([C@@H](C=C4)O)O)C5=CC=CC(=C53)C=C2
InChI: InChI=1S/C20H14O2/c21-16-10-9-14-13-5-1-3-11-7-8-12-4-2-6-15(18(12)17(11)13)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)[S@@](=O)C(C)(C)C)C(C)C
InChI: InChI=1S/C25H34O3S/c1-16(2)19-13-11-17(3)15-22(19)28-24(26)21-14-12-18-9-7-8-10-20(18)23(21)29(27)25(4,5)6/h7-10,12,14,16-17,19,22H,11,13,15H2,1-6H3/t17-,19+,22-,29-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]3[C@]2([C@H]1C[C@H]3C(=O)C)OO)O)C
InChI: InChI=1S/C15H24O5/c1-7-4-5-11-8(2)14(17)19-13-10(9(3)16)6-12(7)15(11,13)20-18/h7-8,10-14,17-18H,4-6H2,1-3H3/t7-,8-,10+,11+,12+,13+,14-,15+/m1/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C23H20N2O3/c1-13-4-2-3-5-18(13)24-21(26)14-8-10-17(11-9-14)25-22(27)19-15-6-7-16(12-15)20(19)23(25)28/h2-11,15-16,19-20H,12H2,1H3,(H,24,26)/t15-,16+,19-,20-/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2N=[N+]=[N-])CO)O)O
InChI: InChI=1S/C12H16N4O6S/c13-16-14-12-9(11(19)10(18)8(6-17)22-12)15-23(20,21)7-4-2-1-3-5-7/h1-5,8-12,15,17-19H,6H2/t8-,9-,10-,11-,12-/m1/s1
SMILES: COC1=CC=C(C=C1)CNC2[C@@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H37NO5/c1-36-30-19-17-26(18-20-30)21-35-34-33(39-24-29-15-9-4-10-16-29)32(38-23-28-13-7-3-8-14-28)31(40-34)25-37-22-27-11-5-2-6-12-27/h2-20,31-35H,21-25H2,1H3/t31-,32+,33-,34?/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](C=C([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)O
InChI: InChI=1S/C28H30O5/c29-17-24-16-25(30)27(32-19-22-12-6-2-7-13-22)28(33-20-23-14-8-3-9-15-23)26(24)31-18-21-10-4-1-5-11-21/h1-16,25-30H,17-20H2/t25-,26-,27+,28+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=NN2C3=CC=C(C=C3)OC
InChI: InChI=1S/C19H27N5O2S/c1-12-6-5-7-17(13(12)2)20-18(25)14(3)27-19-21-22-23-24(19)15-8-10-16(26-4)11-9-15/h8-14,17H,5-7H2,1-4H3,(H,20,25)/t12-,13+,14+,17-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)NC2=CC(=O)C3=C(C4=C(C=C3C2=O)C(=O)C5(C6=C(CCC5(C4=O)OC)C=C(C(=C6O)C(=O)OC)C)O)O)OC)O)OC
InChI: InChI=1S/C34H35NO14/c1-12-9-14-7-8-33(48-6)30(42)21-16(29(41)34(33,44)22(14)25(39)19(12)32(43)47-5)10-15-20(24(21)38)18(36)11-17(23(15)37)35-31-28(46-4)26(40)27(45-3)13(2)49-31/h9-11,13,26-28,31,35,38-40,44H,7-8H2,1-6H3/t13-,26+,27-,28+,31-,33?,34?/m0/s1
SMILES: C1[C@H]([C@@H](CO[C@H]2[C@H]1O[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)O)O
InChI: InChI=1S/C31H36O7/c32-25-16-27-29(37-20-26(25)33)31(36-19-24-14-8-3-9-15-24)30(35-18-23-12-6-2-7-13-23)28(38-27)21-34-17-22-10-4-1-5-11-22/h1-15,25-33H,16-21H2/t25-,26-,27+,28-,29+,30-,31-/m1/s1
SMILES: CCC1=C[C@@H]2C[C@@](C3=C(CN(C2)C1)C4=C(N3)C=CC(=C4)SCCC(=O)OC)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChI: InChI=1S/C49H60N4O10S/c1-9-29-20-30-24-48(44(56)61-7,40-33(27-52(25-29)26-30)32-21-31(12-13-36(32)50-40)64-19-14-39(55)60-6)35-22-34-37(23-38(35)59-5)51(4)42-47(34)16-18-53-17-11-15-46(10-2,41(47)53)43(63-28(3)54)49(42,58)45(57)62-8/h11-13,15,20-23,30,41-43,50,58H,9-10,14,16-19,24-27H2,1-8H3/t30-,41+,42-,43-,46-,47-,48+,49+/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI: InChI=1S/C16H18N2O3S/c1-8-6-10(8)16(20)21-7-12-17-14(19)13-9-4-2-3-5-11(9)22-15(13)18-12/h8,10H,2-7H2,1H3,(H,17,18,19)/t8-,10-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OCC)C2=CON=C2C(=O)OCC
InChI: InChI=1S/C15H18N2O9/c1-4-22-13(18)10-8(7-25-16-10)9-11(14(19)23-5-2)17(21)26-12(9)15(20)24-6-3/h7,9,12H,4-6H2,1-3H3/t9-,12+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC/C=C/C3=CC=CC=C3)O)O)O)O)O)O
InChI: InChI=1S/C21H30O10/c1-11-14(22)16(24)18(26)21(30-11)29-10-13-15(23)17(25)19(27)20(31-13)28-9-5-8-12-6-3-2-4-7-12/h2-8,11,13-27H,9-10H2,1H3/b8-5+/t11-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
SMILES: C[C@]12CCC(=O)C([C@H]1CC[C@@]([C@@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)(C)C
InChI: InChI=1S/C24H30O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-19,27H,9-12,14H2,1-4H3/t18-,19-,23+,24-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC=C2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C
InChI: InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,15,17,23-24,26-27,29,31H,9-11,14,16,18-22H2,1-5H3/t24-,26+,27+,29-,31+,33+,34-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3
InChI: InChI=1S/C21H23NO2/c1-14-6-2-5-9-18(14)22-13-16-12-20(23)24-19-11-10-15-7-3-4-8-17(15)21(16)19/h3-4,7-8,10-12,14,18,22H,2,5-6,9,13H2,1H3/p+1/t14-,18+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@]2([C@]3(C[C@H]4CC[C@@]3(C4(C)C)C)O)O
InChI: InChI=1S/C20H34O2/c1-15(2)13-7-9-17(15,5)19(21,11-13)20(22)12-14-8-10-18(20,6)16(14,3)4/h13-14,21-22H,7-12H2,1-6H3/t13-,14-,17-,18-,19-,20-/m1/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC=C(C=C4)F)C(=O)O
InChI: InChI=1S/C19H18FNO4/c1-10(2)9-14-19-8-7-13(25-19)15(18(23)24)16(19)17(22)21(14)12-5-3-11(20)4-6-12/h3-8,13-16H,1,9H2,2H3,(H,23,24)/t13-,14-,15+,16+,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C16H22N4O4S/c1-11-6-2-3-7-12(11)17-16(25)19-18-15(21)10-24-14-9-5-4-8-13(14)20(22)23/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,21)(H2,17,19,25)/t11-,12+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(C(=O)OCC=C)O)CC(=O)[C@@H]2CC3=CC=CC=C3O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H37NO7Si/c1-8-13-32-25(31)24(30)27-18(15-19(28)21-14-17-11-9-10-12-20(17)33-21)22(23(27)29)16(2)34-35(6,7)26(3,4)5/h8-12,16,18,21-22,24,30H,1,13-15H2,2-7H3/t16-,18-,21+,22-,24?/m1/s1