EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=C(C=C1C([C@@H]2[C@H](COC2=O)C3(SCCCS3)C4=CC5=C(C=C4)OCO5)O)OC)OC
InChI: InChI=1S/C25H28O8S2/c1-28-18-11-20(30-3)19(29-2)10-15(18)23(26)22-16(12-31-24(22)27)25(34-7-4-8-35-25)14-5-6-17-21(9-14)33-13-32-17/h5-6,9-11,16,22-23,26H,4,7-8,12-13H2,1-3H3/t16-,22-,23?/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
InChI: InChI=1S/C21H20ClNO3/c22-16-9-3-1-7-14(16)13-23-17-10-4-2-8-15(17)21(20(23)24)25-18-11-5-6-12-19(18)26-21/h1-4,7-10,18-19H,5-6,11-13H2/t18-,19-/m1/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)O
InChI: InChI=1S/C11H14FN5O4/c1-20-2-4-6(18)7(19)10(21-4)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6-,7-,10-/m1/s1
SMILES: CSC1=CC=CC=C1NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C17H18N2O3S/c1-23-14-9-5-4-8-13(14)18-15(20)10-19-16(21)11-6-2-3-7-12(11)17(19)22/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,18,20)/t11-,12+
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N([C@H]1CC=C)CC2=CC=C(C=C2)OC
InChI: InChI=1S/C22H35NO3Si/c1-8-9-19-20(26-27(6,7)22(2,3)4)14-15-21(24)23(19)16-17-10-12-18(25-5)13-11-17/h8,10-13,19-20H,1,9,14-16H2,2-7H3/t19-,20-/m0/s1
SMILES: CCCCS(=O)(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H](C3=CC2)CCC4=O)C
InChI: InChI=1S/C22H28O4S/c1-3-4-13-27(24,25)26-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23/h6-8,14,18,20H,3-5,9-13H2,1-2H3/t18-,20+,22+/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/[C@H](CCC2=CC(=C(S2)Cl)Cl)O)C/C=C/CCCC(=O)O)O
InChI: InChI=1S/C21H28Cl2O5S/c22-17-11-14(29-21(17)23)9-7-13(24)8-10-16-15(18(25)12-19(16)26)5-3-1-2-4-6-20(27)28/h1,3,8,10-11,13,15-16,18-19,24-26H,2,4-7,9,12H2,(H,27,28)/b3-1+,10-8+/t13-,15+,16+,18-,19+/m0/s1
SMILES: CCC(=O)C(=O)N(CC(F)(F)F)[C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO
InChI: InChI=1S/C21H24F3IN2O6/c1-2-15(29)20(32)27(11-21(22,23)24)14-9-12(19(31)26-7-8-28)10-17(18(14)30)33-16-6-4-3-5-13(16)25/h3-6,10,14,17-18,28,30H,2,7-9,11H2,1H3,(H,26,31)/t14-,17+,18+/m1/s1
SMILES: CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)N
InChI: InChI=1S/C21H31NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12-13,16-19H,4-7,9,11,22H2,1-3H3/t13?,16-,17+,18-,19-,20-,21+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)OC)O[C@@H]2[C@H]([C@@H](COC2O)O)O)O)O
InChI: InChI=1S/C13H22O11/c1-20-8-6(16)7(17)13(24-10(8)11(18)21-2)23-9-5(15)4(14)3-22-12(9)19/h4-10,12-17,19H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10+,12?,13+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C45H55N3O7/c1-30-42(28-48-21-19-37-24-40(52-3)41(53-4)25-39(37)27-48)54-45(55-44(30)34-17-15-32(29-49)16-18-34)38-13-9-12-36(23-38)35-11-8-10-33(22-35)26-47-43(51)14-6-5-7-20-46-31(2)50/h8-13,15-18,22-25,30,42,44-45,49H,5-7,14,19-21,26-29H2,1-4H3,(H,46,50)(H,47,51)/t30-,42+,44+,45+/m0/s1
SMILES: C1C[C@H]2[C@@H](C(=O)OC(=C2CCC=C1)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H22O2/c24-23-21(17-11-5-3-6-12-17)19-15-9-1-2-10-16-20(19)22(25-23)18-13-7-4-8-14-18/h1-8,11-14,19,21H,9-10,15-16H2/t19-,21+/m1/s1
SMILES: COCCC(=O)N(CCC1=CC(=CC=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C29H34FIN2O8/c1-39-11-7-26(36)33(9-6-18-4-3-5-21(30)12-18)23-15-20(29(38)32-8-10-34)16-24(27(23)37)41-28-22(31)13-19(17-35)14-25(28)40-2/h3-5,12-14,16-17,23-24,27,34,37H,6-11,15H2,1-2H3,(H,32,38)/t23-,24+,27+/m1/s1
SMILES: C1[C@@H]2[C@H](CO1)[C@@H]3C=C[C@H]2[C@@H]4[C@H]3[C@@H]5C=C[C@H]4[C@@H]6[C@H]5C(C=CC6O)O
InChI: InChI=1S/C20H24O3/c21-15-5-6-16(22)20-12-4-3-11(19(15)20)17-9-1-2-10(18(12)17)14-8-23-7-13(9)14/h1-6,9-22H,7-8H2/t9-,10+,11-,12+,13+,14-,15?,16?,17+,18-,19+,20-
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]4(C2C(=O)OC4)C(CC(=O)O3)C(C)C(=O)OC)C)O
InChI: InChI=1S/C21H26O8/c1-9-5-13(22)17(24)20(3)11(9)6-14-21(8-28-19(26)16(20)21)12(7-15(23)29-14)10(2)18(25)27-4/h5,10-12,14,16-17,24H,6-8H2,1-4H3/t10?,11-,12?,14+,16?,17+,20-,21+/m0/s1
SMILES: C[C@@H]1CN(CC[C@H]1C2=CC(=CC=C2)O)CCC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-16-15-22(13-11-21(24)17-6-3-2-4-7-17)12-10-20(16)18-8-5-9-19(23)14-18/h2-9,14,16,20,23H,10-13,15H2,1H3/t16-,20-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H]([C@H]([C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)N)O)C
InChI: InChI=1S/C29H47NO7/c1-15(7-10-23(33)35-6)20-8-9-21-24-22(37-17(3)32)14-18-13-19(36-16(2)31)11-12-28(18,4)25(24)26(30)27(34)29(20,21)5/h15,18-22,24-27,34H,7-14,30H2,1-6H3/t15-,18+,19-,20-,21+,22-,24-,25-,26+,27+,28+,29-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)OCC(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C19H27NO4/c1-4-23-19(22)15-8-10-16(11-9-15)24-12-18(21)20-17-7-5-6-13(2)14(17)3/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,20,21)/t13-,14-,17+/m0/s1
SMILES: C[C@H](C[C@H]1C[C@@](C(=O)O1)(C)O)[C@H]2CC[C@@H]3[C@@]2(CCCC3=O)C
InChI: InChI=1S/C18H28O4/c1-11(9-12-10-18(3,21)16(20)22-12)13-6-7-14-15(19)5-4-8-17(13,14)2/h11-14,21H,4-10H2,1-3H3/t11-,12+,13-,14+,17-,18-/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=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7)Cl
InChI: InChI=1S/C32H31Cl2N3O7/c1-35-29(41)31(33)16-23-20(26(32(31,34)30(35)42)22-15-19(43-2)7-10-24(22)38)8-9-21-25(23)28(40)37(27(21)39)18-5-3-17(4-6-18)36-11-13-44-14-12-36/h3-8,10,15,21,23,25-26,38H,9,11-14,16H2,1-2H3/t21-,23+,25-,26+,31+,32-/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=C(C=CC(=C6)OC)O)C(=O)N(C5=O)C7CCN(CC7)CC8=CC=CC=C8)C(=O)N(C3=O)NC9=C(C=C(C=C9)Cl)Cl
InChI: InChI=1S/C46H44Cl2N4O7/c1-58-30-11-8-27(9-12-30)46-36(43(55)52(45(46)57)49-38-16-10-28(47)22-37(38)48)24-34-32(41(46)35-23-31(59-2)13-17-39(35)53)14-15-33-40(34)44(56)51(42(33)54)29-18-20-50(21-19-29)25-26-6-4-3-5-7-26/h3-14,16-17,22-23,29,33-34,36,40-41,49,53H,15,18-21,24-25H2,1-2H3/t33-,34+,36-,40-,41+,46+/m0/s1
SMILES: CCCCCN(CCCC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
InChI: InChI=1S/C19H30N5O6P/c1-3-5-7-9-23(8-6-4-2)17-14-18(21-11-20-17)24(12-22-14)19-15(25)16-13(29-19)10-28-31(26,27)30-16/h11-13,15-16,19,25H,3-10H2,1-2H3,(H,26,27)/t13-,15-,16-,19-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C
InChI: InChI=1S/C21H30N2O4S/c1-15-6-3-4-9-20(15)22-21(25)17-10-12-23(13-11-17)28(26,27)19-8-5-7-18(14-19)16(2)24/h5,7-8,14-15,17,20H,3-4,6,9-13H2,1-2H3,(H,22,25)/t15-,20+/m1/s1
SMILES: C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CCC4[C@H](C)CCC=C(C)C)C)C)C)C
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)23-14-17-30(8)26-15-16-27(5)22(4)24(31)12-13-25(27)28(26,6)18-19-29(23,30)7/h10,21-23,25-26H,9,11-19H2,1-8H3/t21-,22+,23?,25-,26+,27-,28+,29+,30-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CCC(=C)[C@@H](C2)O)(CC=CC3(C)C)C
InChI: InChI=1S/C20H32O/c1-14-7-8-17-19(4,13-15(14)21)12-9-16-18(2,3)10-6-11-20(16,17)5/h6,10,15-17,21H,1,7-9,11-13H2,2-5H3/t15-,16+,17+,19+,20+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)COC2=CC=CC(=C2)C(=O)C
InChI: InChI=1S/C19H25NO5/c1-13-6-3-4-9-17(13)20-18(22)11-25-19(23)12-24-16-8-5-7-15(10-16)14(2)21/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3,(H,20,22)/t13-,17+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H]([C@@H](C1=O)O)O)CC2=CC=CC=C2
InChI: InChI=1S/C16H21NO5/c1-16(2,3)22-15(21)17-11(12(18)13(19)14(17)20)9-10-7-5-4-6-8-10/h4-8,11-13,18-19H,9H2,1-3H3/t11-,12+,13-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=S)NC2=C(C(=CC=C2)Cl)C
InChI: InChI=1S/C16H23ClN2S/c1-10-6-4-8-14(11(10)2)18-16(20)19-15-9-5-7-13(17)12(15)3/h5,7,9-11,14H,4,6,8H2,1-3H3,(H2,18,19,20)/t10-,11+,14+/m1/s1
SMILES: C[C@@]1(C[C@@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]1(O2)C)CN(C6=O)[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C32H35N3O3Si/c1-30(2,3)39(6,7)33-17-20-24-19-13-9-11-15-22(19)35-28(24)27-25(26(20)29(33)36)18-12-8-10-14-21(18)34(27)23-16-31(4,37)32(35,5)38-23/h8-15,23,37H,16-17H2,1-7H3/t23-,31+,32+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCCNS(=O)(=O)C2=CC=C(C=C2)F
InChI: InChI=1S/C19H27FN2O5S/c1-14-5-2-3-6-17(14)22-18(23)13-27-19(24)7-4-12-21-28(25,26)16-10-8-15(20)9-11-16/h8-11,14,17,21H,2-7,12-13H2,1H3,(H,22,23)/t14-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H]2C3=CN=CC=C3)C#C[Si](C)(C)C
InChI: InChI=1S/C19H22N2O2SSi/c1-15-7-9-17(10-8-15)24(22,23)21-18(11-13-25(2,3)4)19(21)16-6-5-12-20-14-16/h5-10,12,14,18-19H,1-4H3/t18-,19+,21?/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN7CCN(CC7)C8=NC=CC=N8
InChI: InChI=1S/C42H41N5O5/c1-28-37(26-45-19-21-46(22-20-45)42-43-17-6-18-44-42)51-41(52-38(28)31-15-13-29(27-48)14-16-31)34-10-5-9-33(24-34)32-8-4-7-30(23-32)25-47-39(49)35-11-2-3-12-36(35)40(47)50/h2-18,23-24,28,37-38,41,48H,19-22,25-27H2,1H3/t28-,37+,38+,41+/m0/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(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6CCCCC6)Cl
InChI: InChI=1S/C28H29BrCl2N2O6/c1-32-25(37)27(30)12-18-15(8-9-16-20(18)24(36)33(23(16)35)14-6-4-3-5-7-14)21(28(27,31)26(32)38)17-10-13(29)11-19(39-2)22(17)34/h8,10-11,14,16,18,20-21,34H,3-7,9,12H2,1-2H3/t16-,18+,20-,21+,27+,28-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C(N3[C@H]2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5
InChI: InChI=1S/C26H19N3/c27-17-26(18-28)24(21-12-5-2-6-13-21)23(20-10-3-1-4-11-20)25-22-14-8-7-9-19(22)15-16-29(25)26/h1-16,23-25H/t23-,24+,25-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)C[C@@H](C=C3NC4=NC=NN24)C5=CC=CO5
InChI: InChI=1S/C20H18N4O3/c1-26-14-6-4-12(5-7-14)19-18-15(23-20-21-11-22-24(19)20)9-13(10-16(18)25)17-3-2-8-27-17/h2-9,11,13,18-19H,10H2,1H3,(H,21,22,23)/t13-,18+,19+/m1/s1
SMILES: C[C@@]12CC[C@]3(CCC(CC3C1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)N6C=C(N=C6)Br
InChI: InChI=1S/C34H42BrN3O3/c1-29(2)10-12-34(28(41)38-18-25(35)37-19-38)13-11-33(7)26(21(34)16-29)22(39)14-24-31(5)15-20(17-36)27(40)30(3,4)23(31)8-9-32(24,33)6/h14-15,18-19,21,23,26H,8-13,16H2,1-7H3/t21?,23-,26?,31-,32+,33+,34-/m0/s1
SMILES: CCOP(=S)(C[C@H]1CN2[C@@H](C[C@@H]1CCOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)COC2=O)OCC
InChI: InChI=1S/C33H40NO5PS/c1-3-38-40(41,39-4-2)25-27-23-34-31(24-36-32(34)35)22-26(27)20-21-37-33(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,26-27,31H,3-4,20-25H2,1-2H3/t26-,27+,31-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C[C@H]2[C@@H](COC2=O)CC3=CC4=C(C(=C3)OC)OCO4
InChI: InChI=1S/C22H24O8/c1-25-16-6-13(7-17(26-2)20(16)23)5-15-14(10-28-22(15)24)4-12-8-18(27-3)21-19(9-12)29-11-30-21/h6-9,14-15,23H,4-5,10-11H2,1-3H3/t14-,15+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)[Si](C)(C)C(C)(C)C)CCC=C(Br)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H41Br2NO2Si2/c1-15(26-28(10,11)21(5,6)7)18-16(13-12-14-17(22)23)24(19(18)25)27(8,9)20(2,3)4/h14-16,18H,12-13H2,1-11H3/t15-,16-,18-/m1/s1
SMILES: CCOCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=C(C=C(C=C2I)CO)OC)C(=O)NCCO)C(=O)C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C30H36F3IN2O8/c1-3-43-12-4-10-36(29(41)19-5-7-21(8-6-19)30(31,32)33)23-15-20(28(40)35-9-11-37)16-24(26(23)39)44-27-22(34)13-18(17-38)14-25(27)42-2/h5-8,13-14,16,23-24,26,37-39H,3-4,9-12,15,17H2,1-2H3,(H,35,40)/t23-,24+,26+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@@H]1NC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C24H37NO3/c1-14-12-21-19-7-6-17-13-18(28-16(3)27)8-10-23(17,4)20(19)9-11-24(21,5)22(14)25-15(2)26/h6,14,18-22H,7-13H2,1-5H3,(H,25,26)/t14-,18-,19+,20-,21-,22-,23+,24+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCN([C@H]1[C@H]([C@@H](CC=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C34H63NO6Si3/c1-32(2,3)42(10,11)39-27-21-23-35(31(37)38-25-26-19-17-16-18-20-26)29(27)30(41-44(14,15)34(7,8)9)28(22-24-36)40-43(12,13)33(4,5)6/h16-20,24,27-30H,21-23,25H2,1-15H3/t27-,28+,29+,30-/m0/s1
SMILES: C1C(C(=O)C2=C(C=C(C=C2O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)O)O)O)O)O)C4=CC=C(C=C4)O
InChI: InChI=1S/C20H20O10/c21-9-3-1-8(2-4-9)11-7-28-13-6-10(5-12(22)14(13)15(11)23)29-20-18(26)16(24)17(25)19(27)30-20/h1-6,11,16-22,24-27H,7H2/t11?,16-,17-,18+,19-,20+/m0/s1
SMILES: C1C[C@@H]([C@@H](N(C1)COC2=NC(=NO2)N)C3=CC=CC=C3)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C23H22F6N4O3/c24-22(25,26)16-9-14(10-17(11-16)23(27,28)29)12-34-18-7-4-8-33(13-35-21-31-20(30)32-36-21)19(18)15-5-2-1-3-6-15/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H2,30,32)/t18-,19-/m0/s1
SMILES: CC1=CC(=C(C=C1)OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)C
InChI: InChI=1S/C18H24N2O5/c1-11-7-8-15(12(2)9-11)25-10-16(21)19-20-17(22)13-5-3-4-6-14(13)18(23)24/h7-9,13-14H,3-6,10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t13-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@]1(C[C@@H]1C2=CC(=CC=C2)O[Si](C)(C)C(C)(C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C28H38N2O7Si/c1-26(2,3)36-25(32)29-28(24(31)35-18-19-12-14-21(15-13-19)30(33)34)17-23(28)20-10-9-11-22(16-20)37-38(7,8)27(4,5)6/h9-16,23H,17-18H2,1-8H3,(H,29,32)/t23-,28-/m1/s1
SMILES: CCOC1=CC=CC=C1COC(=O)CN2C(=O)[C@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C20H26N2O5/c1-3-26-16-10-5-4-9-15(16)13-27-17(23)12-22-18(24)20(21-19(22)25)11-7-6-8-14(20)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,21,25)/t14-,20-/m1/s1
SMILES: C1=CC=C2C(=C1)N=C(S2)SC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C13H13NO6S2/c15-7-8(16)10(11(18)19)20-12(9(7)17)22-13-14-5-3-1-2-4-6(5)21-13/h1-4,7-10,12,15-17H,(H,18,19)/t7-,8-,9+,10-,12?/m0/s1
SMILES: CCOC(=O)[C@]12CC(OO[C@]1(CN(C2=O)CC3=CC=CC=C3)O)(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C28H26ClNO6/c1-2-34-25(32)26-18-27(21-11-7-4-8-12-21,22-13-15-23(29)16-14-22)35-36-28(26,33)19-30(24(26)31)17-20-9-5-3-6-10-20/h3-16,33H,2,17-19H2,1H3/t26-,27?,28+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OC3=C(C=C(C=C3)Cl)C)C4=CC=CC=C4OC
InChI: InChI=1S/C26H24ClNO5/c1-4-32-26(30)17-9-12-19(13-10-17)28-23(20-7-5-6-8-22(20)31-3)24(25(28)29)33-21-14-11-18(27)15-16(21)2/h5-15,23-24H,4H2,1-3H3/t23-,24+/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](NC(=S)NC2=C1)C3=CC4=C(C=C3)OCCO4
InChI: InChI=1S/C16H16N2O3S/c19-11-3-1-2-10-14(11)15(18-16(22)17-10)9-4-5-12-13(8-9)21-7-6-20-12/h2,4-5,8,14-15H,1,3,6-7H2,(H2,17,18,22)/t14-,15-/m0/s1
SMILES: C1C2=CC=CC=C2[C@@H]([C@@H](N1)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C25H21F6NO/c26-24(27,28)19-10-16(11-20(12-19)25(29,30)31)14-33-15-22-23(17-6-2-1-3-7-17)21-9-5-4-8-18(21)13-32-22/h1-12,22-23,32H,13-15H2/t22-,23-/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)C5=CC=CC=C5C(=O)O
InChI: InChI=1S/C24H17ClN2O5/c25-14-10-12-15(13-11-14)26-22(28)19-20(17-8-4-5-9-18(17)24(30)31)27(32-21(19)23(26)29)16-6-2-1-3-7-16/h1-13,19-21H,(H,30,31)/t19-,20+,21+/m0/s1
SMILES: C[C@H]1C[C@@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@H](C6)OC(=O)C)C)OC(=O)C)C)(C)O)OC1(C)C
InChI: InChI=1S/C32H50O7/c1-17-15-32(39-28(17,4)5)31(8,35)27-24(38-32)14-23-22-10-9-20-13-21(36-18(2)33)11-12-29(20,6)26(22)25(37-19(3)34)16-30(23,27)7/h17,20-27,35H,9-16H2,1-8H3/t17-,20-,21+,22-,23-,24-,25-,26+,27-,29-,30-,31+,32-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)OCC=C)C2=CC3=C(C=C2)OCO3)CCOCCOCCO
InChI: InChI=1S/C24H32O9/c1-3-9-30-23(26)22-15-19(17-5-6-20-21(14-17)32-16-31-20)18(24(33-22)29-4-2)7-10-27-12-13-28-11-8-25/h3,5-6,14-15,18-19,24-25H,1,4,7-13,16H2,2H3/t18-,19+,24+/m0/s1
SMILES: CC([C@]12[C@H]3CCC[C@H]3[C@](C1(C)C)(N=N2)C4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C20H26N2O2/c1-13(24-14(2)23)19-16-11-8-12-17(16)20(22-21-19,18(19,3)4)15-9-6-5-7-10-15/h5-7,9-10,13,16-17H,8,11-12H2,1-4H3/t13?,16-,17+,19-,20+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C37H21Cl2F5N2O8/c38-36-12-20-16(9-10-18-22(20)32(50)45(31(18)49)14-6-8-17(33(51)52)21(47)11-14)23(19-7-5-13-3-1-2-4-15(13)30(19)48)37(36,39)35(54)46(34(36)53)29-27(43)25(41)24(40)26(42)28(29)44/h1-9,11,18,20,22-23,47-48H,10,12H2,(H,51,52)/t18-,20+,22-,23+,36+,37-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C18H22ClN3O3/c1-11-6-7-13(9-14(11)19)20-15(23)10-22-16(24)18(21-17(22)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,23)(H,21,25)/t12-,18+/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC(=C(C=C2)CC)F)C(=O)O)C3=CC4=C(C=C3)OCC4
InChI: InChI=1S/C31H41FN2O4/c1-4-7-14-33(15-8-5-2)28(35)20-34-19-25(22-11-12-27-23(17-22)13-16-38-27)29(31(36)37)30(34)24-10-9-21(6-3)26(32)18-24/h9-12,17-18,25,29-30H,4-8,13-16,19-20H2,1-3H3,(H,36,37)/t25-,29-,30+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C19H23NO3/c21-18(16-8-4-5-9-17(16)19(22)23)20-12-10-15(11-13-20)14-6-2-1-3-7-14/h1-3,6-7,10,16-17H,4-5,8-9,11-13H2,(H,22,23)/t16-,17-/m1/s1
SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C(=O)N1C4=CC(=CC=C4)OC)C(=O)[O-]
InChI: InChI=1S/C20H21NO5/c1-11(2)9-15-20-8-7-14(26-20)16(19(23)24)17(20)18(22)21(15)12-5-4-6-13(10-12)25-3/h4-8,10,14-17H,1,9H2,2-3H3,(H,23,24)/p-1/t14-,15-,16+,17+,20-/m1/s1
SMILES: CCOP(=O)(CC(=O)N1C[C@H]([C@@H]([C@@H]([C@@]1(C)C=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC
InChI: InChI=1S/C34H42NO8P/c1-4-42-44(38,43-5-2)25-31(37)35-21-30(39-22-27-15-9-6-10-16-27)32(40-23-28-17-11-7-12-18-28)33(34(35,3)26-36)41-24-29-19-13-8-14-20-29/h6-20,26,30,32-33H,4-5,21-25H2,1-3H3/t30-,32+,33+,34-/m1/s1
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)[N+](=O)[O-])OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C(C)C)C)O
InChI: InChI=1S/C40H57NO12/c1-21(2)35-24(5)14-15-39(53-35)19-29-17-28(52-39)13-12-23(4)36(51-32-18-31(47-8)33(41(45)46)26(7)49-32)22(3)10-9-11-27-20-48-37-34(42)25(6)16-30(38(43)50-29)40(27,37)44/h9-12,14-16,21-22,24,26,28-37,42,44H,13,17-20H2,1-8H3/b10-9+,23-12+,27-11+/t22-,24-,26-,28+,29-,30-,31-,32-,33-,34+,35+,36-,37+,39+,40+/m0/s1
SMILES: C1[C@@H]([C@H](C2=C3C1C4=CC=CC5=C4C3=C(C=C5)C=C2)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C32H22O4/c33-31(21-8-3-1-4-9-21)35-26-18-25-23-13-7-12-19-14-15-20-16-17-24(29(25)28(20)27(19)23)30(26)36-32(34)22-10-5-2-6-11-22/h1-17,25-26,30H,18H2/t25?,26-,30-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCCO
InChI: InChI=1S/C29H35N3O5/c1-4-36-29-23(16-11-17-33)24(18-25(37-29)27(34)30-19-21-12-7-5-8-13-21)26-20(2)31(3)32(28(26)35)22-14-9-6-10-15-22/h5-10,12-15,18,23-24,29,33H,4,11,16-17,19H2,1-3H3,(H,30,34)/t23-,24+,29-/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC/C(=C/CN3C=[N+](C4=NC=NC(=C43)N)C)/C)CCC=C2CO)C.[Cl-]
InChI: InChI=1S/C26H40N5O.ClH/c1-18(11-14-31-17-30(5)24-22(31)23(27)28-16-29-24)9-12-25(3)19(2)10-13-26(4)20(15-32)7-6-8-21(25)26;/h7,11,16-17,19,21,32H,6,8-10,12-15H2,1-5H3,(H2,27,28,29);1H/q+1;/p-1/b18-11+;/t19-,21-,25+,26-;/m0./s1
SMILES: CC[Si](CC)(CC)O[C@H]1CCN2[C@@H]1[C@@H](C3=CC4=C(C=C3C2)OCO4)CC(=O)OC(C)(C)C
InChI: InChI=1S/C25H39NO5Si/c1-7-32(8-2,9-3)31-20-10-11-26-15-17-12-21-22(29-16-28-21)13-18(17)19(24(20)26)14-23(27)30-25(4,5)6/h12-13,19-20,24H,7-11,14-16H2,1-6H3/t19-,20+,24-/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C
InChI: InChI=1S/C18H21N3O4S/c1-12-9-16(12)17-8-7-14(25-17)11-19-20-18(22)13-5-4-6-15(10-13)26(23,24)21(2)3/h4-8,10-12,16H,9H2,1-3H3,(H,20,22)/b19-11-/t12-,16-/m1/s1
SMILES: C[C@@H]1[C@H](N=C1N2[C@H](CSC2=S)C(C)C)CCC3=CC=CC=C3
InChI: InChI=1S/C18H24N2S2/c1-12(2)16-11-22-18(21)20(16)17-13(3)15(19-17)10-9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15-,16-/m1/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]2OC)CO)F)O)O)O)O
InChI: InChI=1S/C13H23FO9/c1-4-7(16)9(18)10(19)12(21-4)23-11-8(17)6(14)5(3-15)22-13(11)20-2/h4-13,15-19H,3H2,1-2H3/t4-,5+,6-,7-,8-,9+,10+,11+,12-,13-/m0/s1
SMILES: C[C@H]1CCC2[C@H](C[C@@H](/C(=C(\C)/C(=C(\C)/O)/O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)/C2=C1)C=C(C)C)C
InChI: InChI=1S/C27H42O6/c1-13(2)10-19-12-15(4)20-9-8-14(3)11-21(20)22(19)16(5)26(17(6)28)33-27-25(31)24(30)23(29)18(7)32-27/h10-11,14-15,18-20,23-25,27-31H,8-9,12H2,1-7H3/b22-16-,26-17-/t14-,15-,18-,19-,20?,23+,24+,25+,27-/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)CCC(=O)O)O
InChI: InChI=1S/C32H27Cl2FN2O7/c1-2-4-16-5-3-6-21(26(16)40)25-19-11-12-20-24(28(42)36(27(20)41)14-13-23(38)39)22(19)15-31(33)29(43)37(30(44)32(25,31)34)18-9-7-17(35)8-10-18/h2-3,5-11,20,22,24-25,40H,1,4,12-15H2,(H,38,39)/t20-,22+,24-,25+,31+,32-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=C(C=C9)Br
InChI: InChI=1S/C42H30BrClFN3O5/c43-24-8-16-28(17-9-24)47-38(50)31-20-19-30-33(35(31)40(47)52)21-34-39(51)48(46-27-14-12-26(45)13-15-27)41(53)42(34,23-6-10-25(44)11-7-23)36(30)32-18-5-22-3-1-2-4-29(22)37(32)49/h1-19,31,33-36,46,49H,20-21H2/t31-,33+,34-,35-,36+,42+/m0/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C(=O)[C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C
InChI: InChI=1S/C19H24O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13,15-16H,5-6,8-9H2,1-4H3/t13-,15-,16-,17-,18-,19+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH2+]CCCN4CCCC4=O
InChI: InChI=1S/C22H34N2O3/c1-15-6-3-8-22(2)13-19-16(12-18(15)22)17(21(26)27-19)14-23-9-5-11-24-10-4-7-20(24)25/h16-19,23H,1,3-14H2,2H3/p+1/t16-,17-,18-,19-,22-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CC4=CC=CC=C43)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C#N
InChI: InChI=1S/C26H24N2O6S/c1-33-15-8-6-13(7-9-15)20-17-10-14-4-2-3-5-16(14)21(17)28(26(35)18(20)11-27)25-24(32)23(31)22(30)19(12-29)34-25/h2-9,19,22-25,29-32H,10,12H2,1H3/t19-,22-,23+,24-,25-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)C2=CC=C(C=C2)N3C(=O)CC(=N3)C)O)O)O
InChI: InChI=1S/C18H24N4O5/c1-9-7-14(23)22(21-9)12-5-3-11(4-6-12)18(27)19-8-13-16(25)17(26)15(24)10(2)20-13/h3-6,10,13,15-17,20,24-26H,7-8H2,1-2H3,(H,19,27)/t10-,13+,15+,16+,17+/m0/s1
SMILES: C1[C@@H]2[C@H]([C@H](S1)[C@H]([C@@H](O2)SC3=CC=C(C=C3)C#N)O)O
InChI: InChI=1S/C13H13NO3S2/c14-5-7-1-3-8(4-2-7)19-13-11(16)12-10(15)9(17-13)6-18-12/h1-4,9-13,15-16H,6H2/t9-,10-,11-,12+,13+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CO3)C4=CCCCC4
InChI: InChI=1S/C22H29N3O4/c1-16-8-5-6-12-22(16)20(27)25(21(28)23-22)15-19(26)24(14-18-11-7-13-29-18)17-9-3-2-4-10-17/h7,9,11,13,16H,2-6,8,10,12,14-15H2,1H3,(H,23,28)/t16-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]([C@@H]2[C@H]3C=C[C@@H]([C@@H]2CO)O3)O
InChI: InChI=1S/C15H18O4/c1-18-10-4-2-9(3-5-10)15(17)14-11(8-16)12-6-7-13(14)19-12/h2-7,11-17H,8H2,1H3/t11-,12-,13+,14-,15-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C=C(N=N2)CNC(=O)CBr)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H25BrN4O10/c1-9(25)30-8-14-16(31-10(2)26)17(32-11(3)27)18(33-12(4)28)19(34-14)24-7-13(22-23-24)6-21-15(29)5-20/h7,14,16-19H,5-6,8H2,1-4H3,(H,21,29)/t14-,16+,17+,18-,19-/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C
InChI: InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19-,20+,21+,22+,23+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
InChI: InChI=1S/C25H20ClN3O6/c1-2-34-18-11-9-16(10-12-18)27-24(30)21-22(15-8-13-19(26)20(14-15)29(32)33)28(35-23(21)25(27)31)17-6-4-3-5-7-17/h3-14,21-23H,2H2,1H3/t21-,22-,23+/m1/s1
SMILES: CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5)C(=O)O
InChI: InChI=1S/C24H20N2O5/c1-12-17(24(30)31)3-2-4-18(12)25-21(27)13-7-9-16(10-8-13)26-22(28)19-14-5-6-15(11-14)20(19)23(26)29/h2-10,14-15,19-20H,11H2,1H3,(H,25,27)(H,30,31)/t14-,15+,19-,20-/m0/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)COCC(=O)O)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F
InChI: InChI=1S/C22H20FN3O6/c23-15-4-2-1-3-13(15)12-5-6-16-14(9-12)22(31)26-8-7-17(20(26)21(30)25-16)24-18(27)10-32-11-19(28)29/h1-6,9,17,20H,7-8,10-11H2,(H,24,27)(H,25,30)(H,28,29)/t17-,20-/m0/s1
SMILES: B1(O[C@@H]2CC3CC([C@@]2(O1)C)C3(C)C)[C@@H](C)C4=CC=CC=C4
InChI: InChI=1S/C18H25BO2/c1-12(13-8-6-5-7-9-13)19-20-16-11-14-10-15(17(14,2)3)18(16,4)21-19/h5-9,12,14-16H,10-11H2,1-4H3/t12-,14?,15?,16+,18-/m0/s1