EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCC(C(C)(C)O)(F)F)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)Br)C
InChI: InChI=1S/C31H47BrF2O5/c1-17(10-13-31(33,34)28(4,5)37)22-8-9-23-27-24(11-12-29(22,23)6)30(7)20(15-25(27)32)14-21(38-18(2)35)16-26(30)39-19(3)36/h15,17,21-27,37H,8-14,16H2,1-7H3/t17-,21-,22-,23+,24+,25?,26+,27+,29-,30+/m1/s1
SMILES: C[C@H](CCC(=O)N1CCCC1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C28H47NO2/c1-19(6-11-26(31)29-16-4-5-17-29)23-9-10-24-22-8-7-20-18-21(30)12-14-27(20,2)25(22)13-15-28(23,24)3/h19-25,30H,4-18H2,1-3H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1
SMILES: CCOCC(=O)N(CC1CCCCC1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H40N2O8/c1-3-37-16-23(33)30(14-17-7-5-4-6-8-17)21-13-20(28(35)29-9-10-31)24-19-11-18(15-32)12-22(36-2)26(19)38-27(24)25(21)34/h11-13,17,21,24-25,27,31-32,34H,3-10,14-16H2,1-2H3,(H,29,35)/t21-,24+,25+,27+/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C30H32O7/c1-30(2)36-27-24(33-18-20-12-6-3-7-13-20)23(31)25(35-29(32)22-16-10-5-11-17-22)26(28(27)37-30)34-19-21-14-8-4-9-15-21/h3-17,23-28,31H,18-19H2,1-2H3/t23-,24-,25+,26-,27-,28+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H](C[C@H]1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N
InChI: InChI=1S/C24H43N5O2Si2/c1-23(2,3)32(7,8)30-14-17-11-12-18(13-19(17)31-33(9,10)24(4,5)6)29-16-28-20-21(25)26-15-27-22(20)29/h11-12,15-19H,13-14H2,1-10H3,(H2,25,26,27)/t17-,18-,19+/m0/s1
SMILES: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@@H]2C[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O)NC(=O)C
InChI: InChI=1S/C23H44N2O9/c1-3-4-5-6-7-8-9-33-23-18(24-13(2)28)21(31)17(16(12-27)34-23)25-15-10-14(11-26)19(29)22(32)20(15)30/h14-23,25-27,29-32H,3-12H2,1-2H3,(H,24,28)/t14-,15-,16-,17-,18-,19+,20+,21+,22+,23-/m1/s1
SMILES: CCC(C)CN1CC[C@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C21H31NO.C4H6O6/c1-3-15(2)14-22-11-10-21-9-5-4-6-18(21)20(22)12-16-7-8-17(23)13-19(16)21;5-1(3(7)8)2(6)4(9)10/h7-8,13,15,18,20,23H,3-6,9-12,14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t15?,18-,20-,21+;1-,2-/m01/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)I)O
InChI: InChI=1S/C35H22Cl2F5IN2O6/c1-51-22-12-14(3-11-21(22)46)2-10-20-17-8-9-18-23(31(48)44(30(18)47)16-6-4-15(43)5-7-16)19(17)13-34(36)32(49)45(33(50)35(20,34)37)29-27(41)25(39)24(38)26(40)28(29)42/h2-8,10-12,18-20,23,46H,9,13H2,1H3/t18-,19+,20-,23-,34+,35-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC)CCCO
InChI: InChI=1S/C26H30FNO6/c1-3-33-26-21(5-4-14-29)22(18-8-10-19(11-9-18)25(31)32-2)15-23(34-26)24(30)28-16-17-6-12-20(27)13-7-17/h6-13,15,21-22,26,29H,3-5,14,16H2,1-2H3,(H,28,30)/t21-,22+,26+/m0/s1
SMILES: C1=CC=C(C=C1)COCO[C@@H]2[C@H](C([C@H]([C@H](C2O)OCOCC3=CC=CC=C3)OP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7)OP(=O)(OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C64H67O17P3/c65-59-60(71-49-69-41-51-25-9-1-10-26-51)62(79-82(66,73-43-53-29-13-3-14-30-53)74-44-54-31-15-4-16-32-54)64(81-84(68,77-47-57-37-21-7-22-38-57)78-48-58-39-23-8-24-40-58)63(61(59)72-50-70-42-52-27-11-2-12-28-52)80-83(67,75-45-55-33-17-5-18-34-55)76-46-56-35-19-6-20-36-56/h1-40,59-65H,41-50H2/t59?,60-,61-,62-,63+,64?/m0/s1
SMILES: CC1=CC(=CC=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4OC
InChI: InChI=1S/C19H20N2O4S/c1-13-6-5-7-14(10-13)20-16-11-26(23,24)12-17(16)21(19(20)22)15-8-3-4-9-18(15)25-2/h3-10,16-17H,11-12H2,1-2H3/t16-,17+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C
InChI: InChI=1S/C21H33N5O2S/c1-13(2)23-20(28)22-12-16-8-10-17(11-9-16)19(27)25-26-21(29)24-18-7-5-6-14(3)15(18)4/h8-11,13-15,18H,5-7,12H2,1-4H3,(H,25,27)(H2,22,23,28)(H2,24,26,29)/t14-,15-,18+/m1/s1
SMILES: CC(C)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CS3)Br
InChI: InChI=1S/C19H18BrN5S/c1-11(2)25-4-3-13-14(6-21)18(24)19(9-22,10-23)17(15(13)7-25)16-5-12(20)8-26-16/h3,5,8,11,15,17H,4,7,24H2,1-2H3/t15-,17+/m0/s1
SMILES: CCOC1=CC=C(C=C1)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI: InChI=1S/C19H26N2O7/c1-3-26-12-6-4-11(5-7-12)8-13-10(2)20-21-18(13)28-19-17(25)16(24)15(23)14(9-22)27-19/h4-7,14-17,19,22-25H,3,8-9H2,1-2H3,(H,20,21)/t14-,15-,16+,17-,19+/m1/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)CCC(=O)O
InChI: InChI=1S/C24H24O9/c1-29-18-5-11(6-19(30-2)23(18)27)21-14-8-17-16(32-10-33-17)7-13(14)12(3-4-20(25)26)15-9-31-24(28)22(15)21/h5-8,12,15,21-22,27H,3-4,9-10H2,1-2H3,(H,25,26)/t12-,15-,21-,22+/m1/s1
SMILES: CC1=C(C(=O)CCC12O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C23H22O5/c1-15-19(22(25)26-2)18(24)13-14-23(15)27-20(16-9-5-3-6-10-16)21(28-23)17-11-7-4-8-12-17/h3-12,20-21H,13-14H2,1-2H3/t20-,21-/m1/s1
SMILES: COC(=O)CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H16N2O8/c1-21-7(16)2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)6(4-15)22-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,20)/t6-,8-,9-,11-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI: InChI=1S/C33H40N4O4/c1-23-29(20-36-17-15-33(16-18-36)32(39)35-22-37(33)28-5-3-2-4-6-28)40-31(27-13-7-24(19-34)8-14-27)41-30(23)26-11-9-25(21-38)10-12-26/h2-14,23,29-31,38H,15-22,34H2,1H3,(H,35,39)/t23-,29+,30+,31?/m0/s1
SMILES: CC1=C(CCN(C1)C)/C=C/[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CC[C@H]([C@H]5O)N)C)C
InChI: InChI=1S/C30H48N2O/c1-19(6-7-21-14-17-32(5)18-20(21)2)23-10-11-24-22-8-9-26-28(33)27(31)13-16-30(26,4)25(22)12-15-29(23,24)3/h6-8,19,23-28,33H,9-18,31H2,1-5H3/b7-6+/t19-,23-,24+,25+,26+,27-,28+,29-,30-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1CC2=C(C[C@@H]1C(=O)OC(C)(C)C)CN(C2)C=O
InChI: InChI=1S/C19H29NO5/c1-18(2,3)24-16(22)14-7-12-9-20(11-21)10-13(12)8-15(14)17(23)25-19(4,5)6/h11,14-15H,7-10H2,1-6H3/t14-,15+
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C20H19ClN2O6/c1-28-14-5-4-12(21)7-13(14)22-15(24)9-29-16(25)8-23-19(26)17-10-2-3-11(6-10)18(17)20(23)27/h2-5,7,10-11,17-18H,6,8-9H2,1H3,(H,22,24)/t10-,11+,17-,18+
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)C#N
InChI: InChI=1S/C22H29NO3/c1-14(24)26-22(13-23)11-8-19-17-5-4-15-12-16(25)6-9-20(15,2)18(17)7-10-21(19,22)3/h12,17-19H,4-11H2,1-3H3/t17-,18-,19-,20-,21-,22+/m0/s1
SMILES: CCOC(=O)[C@H]\1[C@H](NC(=O)N/C1=C/S(=O)(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C22H23ClN2O7S/c1-4-32-21(26)19-17(12-33(28,29)15-8-5-13(23)6-9-15)24-22(27)25-20(19)16-10-7-14(30-2)11-18(16)31-3/h5-12,19-20H,4H2,1-3H3,(H2,24,25,27)/b17-12+/t19-,20-/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)OCC=C)CSC5=CC=CC=[N+]5[O-]
InChI: InChI=1S/C35H36N2O6S/c1-3-18-41-35(39)36-21-26-8-6-9-28(19-26)29-10-7-11-30(20-29)34-42-31(23-44-32-12-4-5-17-37(32)40)24(2)33(43-34)27-15-13-25(22-38)14-16-27/h3-17,19-20,24,31,33-34,38H,1,18,21-23H2,2H3,(H,36,39)/t24-,31+,33+,34+/m0/s1
SMILES: C1CC[NH+]2[C@H](C1)[C@]34C[C@H]2[C@H](C=C3CC(=O)O4)[NH2+]CCC5=CNC6=CC=CC=C65
InChI: InChI=1S/C23H27N3O2/c27-22-12-16-11-19(20-13-23(16,28-22)21-7-3-4-10-26(20)21)24-9-8-15-14-25-18-6-2-1-5-17(15)18/h1-2,5-6,11,14,19-21,24-25H,3-4,7-10,12-13H2/p+2/t19-,20-,21+,23-/m0/s1
SMILES: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CBr)O)O)O
InChI: InChI=1S/C12H15BrO5/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: C1C(=CC2=CC=CC=C2O1)C3=NO[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5
InChI: InChI=1S/C20H14N2O4/c23-19-16-17(13-10-12-6-4-5-9-15(12)25-11-13)21-26-18(16)20(24)22(19)14-7-2-1-3-8-14/h1-10,16,18H,11H2/t16-,18+/m0/s1
SMILES: CSC1=CC=C(C=C1)CCN2CC[C@@]34CCCC[C@H]3[C@@H]2CC5=C4C=C(C=C5)O
InChI: InChI=1S/C25H31NOS/c1-28-21-9-5-18(6-10-21)11-14-26-15-13-25-12-3-2-4-22(25)24(26)16-19-7-8-20(27)17-23(19)25/h5-10,17,22,24,27H,2-4,11-16H2,1H3/t22-,24-,25-/m0/s1
SMILES: C1[C@H]2[C@H](C3CC2C=C3)C(=O)N1C4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C16H13F3N2O3/c17-16(18,19)12-6-10(3-4-13(12)21(23)24)20-7-11-8-1-2-9(5-8)14(11)15(20)22/h1-4,6,8-9,11,14H,5,7H2/t8?,9?,11-,14+/m1/s1
SMILES: CC1(C[C@H]2[C@@H](O1)CN3[C@@H]2C(=O)N[C@H](CCCCCCCCCC[C@H](C3=O)NC(=O)OC(C)(C)C)C(=O)C(=O)NCC(=O)N[C@@H](C4CCCCC4)C(=O)N(C)C)C
InChI: InChI=1S/C41H68N6O9/c1-40(2,3)56-39(54)44-29-22-18-13-11-9-8-10-12-17-21-28(43-35(50)33-27-23-41(4,5)55-30(27)25-47(33)37(29)52)34(49)36(51)42-24-31(48)45-32(38(53)46(6)7)26-19-15-14-16-20-26/h26-30,32-33H,8-25H2,1-7H3,(H,42,51)(H,43,50)(H,44,54)(H,45,48)/t27-,28+,29+,30-,32-,33-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC(=C(C=C7)F)F)C
InChI: InChI=1S/C47H48F2N2O4/c1-31-10-9-24-46(2)41(39-21-18-32(26-37(52)20-17-31)27-40(39)44(53)34-19-22-42(48)43(49)28-34)23-25-47(46,55)30-51(45(54)50-36-14-4-3-5-15-36)29-35-13-8-12-33-11-6-7-16-38(33)35/h3-8,10-16,18-19,21-22,27-28,37,41,52,55H,9,17,20,23-26,29-30H2,1-2H3,(H,50,54)/t37-,41-,46-,47+/m0/s1
SMILES: CC(C)(C)OC(=O)[C@]12C[C@@H]1CN([C@H]2C3=CC=CC=C3)NCC4=CC5=C(C=C4OC)[C@@H]6C[C@@H]6C(=O)N5C
InChI: InChI=1S/C29H35N3O4/c1-28(2,3)36-27(34)29-14-19(29)16-32(25(29)17-9-7-6-8-10-17)30-15-18-11-23-21(13-24(18)35-5)20-12-22(20)26(33)31(23)4/h6-11,13,19-20,22,25,30H,12,14-16H2,1-5H3/t19-,20+,22+,25+,29-/m1/s1
SMILES: C[C@]1(CC[C@H]2[C@@H]1CC(CCC2=C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C18H34O2Si/c1-13-8-9-14(20-21(6,7)17(2,3)4)12-16-15(13)10-11-18(16,5)19/h14-16,19H,1,8-12H2,2-7H3/t14?,15-,16+,18-/m1/s1
SMILES: CC(C)(C)CC(=O)N1C[C@@H]([C@H](C1)C2=CC=CC=C2)CN3CCC4(CC3)C(=O)N(C(=O)N4CC5CC5)CC6CC6.Cl
InChI: InChI=1S/C32H46N4O3.ClH/c1-31(2,3)17-28(37)34-21-26(27(22-34)25-7-5-4-6-8-25)20-33-15-13-32(14-16-33)29(38)35(18-23-9-10-23)30(39)36(32)19-24-11-12-24;/h4-8,23-24,26-27H,9-22H2,1-3H3;1H/t26-,27+;/m0./s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC(=C(C=C5)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)C6CC6
InChI: InChI=1S/C44H58N2O9/c1-5-20-46(43(50)29-14-15-29)40-27-37(45-53-7-3)35-25-30(12-8-10-21-47)34(13-9-11-22-48)41-36-26-33(54-32-16-18-38(51-4)31(24-32)28-49)17-19-39(36)55-44(40,42(35)41)52-23-6-2/h6,16-19,24-26,28-30,34,40-42,47-48H,2,5,7-15,20-23,27H2,1,3-4H3/t30-,34+,40-,41+,42+,44+/m0/s1
SMILES: COC1=C(C(=CC=C1)OC)O[C@@H]2CC[C@H]([C@H]2O)NC[C@H]3COC4=CC=CC=C4O3
InChI: InChI=1S/C22H27NO6/c1-25-19-8-5-9-20(26-2)22(19)29-18-11-10-15(21(18)24)23-12-14-13-27-16-6-3-4-7-17(16)28-14/h3-9,14-15,18,21,23-24H,10-13H2,1-2H3/t14-,15+,18+,21+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=CC=C6O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)Cl
InChI: InChI=1S/C39H30Cl2FN3O5/c1-20-6-15-25(18-31(20)41)44-35(47)28-17-16-26-29(33(28)37(44)49)19-30-36(48)45(43-24-13-11-23(42)12-14-24)38(50)39(30,21-7-9-22(40)10-8-21)34(26)27-4-2-3-5-32(27)46/h2-16,18,28-30,33-34,43,46H,17,19H2,1H3/t28-,29+,30-,33-,34+,39+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C18H20N2O5/c21-15(19-12-6-2-1-3-7-12)11-25-16(22)10-20-17(23)13-8-4-5-9-14(13)18(20)24/h1-3,6-7,13-14H,4-5,8-11H2,(H,19,21)/t13-,14-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NC(=CC(=N2)N)N
InChI: InChI=1S/C15H25N5OS/c1-8-5-4-6-11(9(8)2)18-14(21)10(3)22-15-19-12(16)7-13(17)20-15/h7-11H,4-6H2,1-3H3,(H,18,21)(H4,16,17,19,20)/t8-,9-,10-,11-/m1/s1
SMILES: [B-]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)O[B-](O3)(C4=CC=C(C=C4)C)O)CO)(C5=CC=C(C=C5)C)O.[Na+].[Na+]
InChI: InChI=1S/C20H24B2O8.2Na/c1-13-3-7-15(8-4-13)21(24)27-17-11-26-20(12-23)19(18(17)28-21)29-22(25,30-20)16-9-5-14(2)6-10-16;;/h3-10,17-19,23-25H,11-12H2,1-2H3;;/q-2;2*+1/t17-,18-,19+,20+,21?,22?;;/m1../s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C31H43NO3/c1-18-10-13-31(26(34)35)15-14-29(6)21(24(31)19(18)2)8-9-23-28(5)16-20(17-32)25(33)27(3,4)22(28)11-12-30(23,29)7/h8,16,18-19,22-24H,9-15H2,1-7H3,(H,34,35)/t18-,19+,22+,23-,24+,28+,29-,30-,31+/m1/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)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=O)NC6=O)O)O)O)O)N
InChI: InChI=1S/C20H27N9O21P4/c21-14-8-15(23-3-22-14)28(4-24-8)18-12(32)10(30)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(31)13(33)19(47-7)29-5-25-9-16(29)26-20(35)27-17(9)34/h3-7,10-13,18-19,30-33H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,22,23)(H2,26,27,34,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
SMILES: CCCN(CCC)[C@@H]1CCC2=C([C@@H]1C)C(=CC=C2)C(=O)NC(C)C
InChI: InChI=1S/C21H34N2O/c1-6-13-23(14-7-2)19-12-11-17-9-8-10-18(20(17)16(19)5)21(24)22-15(3)4/h8-10,15-16,19H,6-7,11-14H2,1-5H3,(H,22,24)/t16-,19-/m1/s1
SMILES: CCCCCCCCCCCCOC[C@H](C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC3=CC=CC=C3Cl
InChI: InChI=1S/C31H47ClN5O8P/c1-4-5-6-7-8-9-10-11-12-15-18-41-21-24(3)44-46(40,45-27-17-14-13-16-25(27)32)42-22-28-26(35-36-33)19-29(43-28)37-20-23(2)30(38)34-31(37)39/h13-14,16-17,20,24,26,28-29H,4-12,15,18-19,21-22H2,1-3H3,(H,34,38,39)/t24-,26-,28+,29+,46?/m0/s1
SMILES: C[C@@H]1C=CCC2[C@@]1(C(=O)C=CC2=O)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H16O4S/c1-12-6-5-9-14-15(18)10-11-16(19)17(12,14)22(20,21)13-7-3-2-4-8-13/h2-8,10-12,14H,9H2,1H3/t12-,14?,17+/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=N4)C(=O)NCC5=CC=CS5
InChI: InChI=1S/C21H24N6OS/c28-21(23-11-17-4-3-9-29-17)18-13-26-8-6-15(18)10-16(26)12-27-14-20(24-25-27)19-5-1-2-7-22-19/h1-5,7,9,14-16,18H,6,8,10-13H2,(H,23,28)/p+1/t15-,16-,18+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@@H](O2)/C=C\C(=O)O)O)O
InChI: InChI=1S/C13H14O5/c14-10(15)7-6-9-11(16)12(17)13(18-9)8-4-2-1-3-5-8/h1-7,9,11-13,16-17H,(H,14,15)/b7-6-/t9-,11+,12-,13+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@]2(C(=O)N(C(=O)N2)[C@H]3CS(=O)(=O)C[C@@H]3O)C
InChI: InChI=1S/C17H22N2O5S/c1-10(2)11-4-6-12(7-5-11)17(3)15(21)19(16(22)18-17)13-8-25(23,24)9-14(13)20/h4-7,10,13-14,20H,8-9H2,1-3H3,(H,18,22)/t13-,14-,17-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C17H16F2N2O3S/c1-8-5-11(8)16(23)24-9(2)15(22)21-17-20-14(7-25-17)10-3-4-12(18)13(19)6-10/h3-4,6-9,11H,5H2,1-2H3,(H,20,21,22)/t8-,9-,11-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=[Se](\C/C=C/C(C)C)/C[C@@]23CC[C@@H](C2(C)C)C[C@H]3O
InChI: InChI=1S/C23H35NO3SSe/c1-17(2)7-6-14-29(24-28(26,27)20-10-8-18(3)9-11-20)16-23-13-12-19(15-21(23)25)22(23,4)5/h6-11,17,19,21,25H,12-16H2,1-5H3/b7-6+/t19-,21-,23-,29?/m1/s1
SMILES: COC1=C(C=C(C=C1)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)O)O)O)O)OC
InChI: InChI=1S/C36H41NO14/c1-44-22-14-13-19(15-23(22)45-2)16-26(38)37-33-29(41)27(39)31(24(48-33)17-46-34(43)20-9-5-3-6-10-20)51-36-30(42)28(40)32-25(49-36)18-47-35(50-32)21-11-7-4-8-12-21/h3-15,24-25,27-33,35-36,39-42H,16-18H2,1-2H3,(H,37,38)/t24-,25-,27-,28-,29-,30-,31-,32-,33-,35?,36-/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)[O-])N=C(S3)NC(=O)COC4=CC=CC=C4)(C)CO)O
InChI: InChI=1S/C24H30N2O6S/c1-23-9-8-18(28)24(2,13-27)17(23)11-16-21(15(23)10-20(30)31)26-22(33-16)25-19(29)12-32-14-6-4-3-5-7-14/h3-7,15,17-18,27-28H,8-13H2,1-2H3,(H,30,31)(H,25,26,29)/p-1/t15-,17+,18-,23+,24+/m1/s1
SMILES: C[C@H]1[C@@H]([C@]2(CCCO[C@]2([C@H]1OS(=O)(=O)C)C)O)C
InChI: InChI=1S/C12H22O5S/c1-8-9(2)12(13)6-5-7-16-11(12,3)10(8)17-18(4,14)15/h8-10,13H,5-7H2,1-4H3/t8-,9-,10-,11-,12-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OCC=C)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C25H31NO6/c1-3-14-29-25-22(26-18(2)28)24(31-17-20-12-8-5-9-13-20)23(21(15-27)32-25)30-16-19-10-6-4-7-11-19/h3-13,21-25,27H,1,14-17H2,2H3,(H,26,28)/t21-,22-,23-,24-,25?/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](N1)C2C=NC3=C2NC(=O)NC3=O)O)O
InChI: InChI=1S/C11H14N4O4/c1-3-8(16)9(17)6(13-3)4-2-12-7-5(4)14-11(19)15-10(7)18/h2-4,6,8-9,13,16-17H,1H3,(H2,14,15,18,19)/t3-,4?,6+,8-,9+/m1/s1
SMILES: CC1=C(C=CC(=C1)OCCCNC(C)(C)C(=O)N)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C27H42N4O8/c1-14(2)20-18(24(31-30-20)39-25-23(35)22(34)21(33)19(13-32)38-25)12-16-7-8-17(11-15(16)3)37-10-6-9-29-27(4,5)26(28)36/h7-8,11,14,19,21-23,25,29,32-35H,6,9-10,12-13H2,1-5H3,(H2,28,36)(H,30,31)/t19-,21+,22+,23-,25+/m1/s1
SMILES: CCCCCC1=CC=C(C=C1)NC[C@@]2([C@H]([C@@H]([C@@H](CO2)O)O)O)O
InChI: InChI=1S/C17H27NO5/c1-2-3-4-5-12-6-8-13(9-7-12)18-11-17(22)16(21)15(20)14(19)10-23-17/h6-9,14-16,18-22H,2-5,10-11H2,1H3/t14-,15-,16+,17-/m1/s1
SMILES: CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@](C2)(C(=O)OC)O.CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC
InChI: InChI=1S/C22H26N2O2.C21H26N2O3/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2;1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3;4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t20-,22+;18-,20+,21+/m00/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CCCO[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O
InChI: InChI=1S/C22H30N4O9/c1-11-8-25(21(31)23-18(11)29)16-6-13(15(10-27)34-16)4-3-5-33-20-14(28)7-17(35-20)26-9-12(2)19(30)24-22(26)32/h8-9,13-17,20,27-28H,3-7,10H2,1-2H3,(H,23,29,31)(H,24,30,32)/t13-,14-,15+,16+,17+,20-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]3[C@@H](C2=O)CC4CC(=O)C(=C4[C@@H]3O)[Si](C)(C)C
InChI: InChI=1S/C20H25NO4Si/c1-25-13-7-5-12(6-8-13)21-17-14(20(21)24)9-11-10-15(22)19(26(2,3)4)16(11)18(17)23/h5-8,11,14,17-18,23H,9-10H2,1-4H3/t11?,14-,17-,18-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C43H49N3O8Si/c1-42(2,3)55(6,7)54-38-37(47)35(53-40(38)46-27-26-36(45-41(46)49)44-39(48)29-14-10-8-11-15-29)28-52-43(30-16-12-9-13-17-30,31-18-22-33(50-4)23-19-31)32-20-24-34(51-5)25-21-32/h8-27,35,37-38,40,47H,28H2,1-7H3,(H,44,45,48,49)/t35-,37+,38-,40-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CCC6=C[C@H](CC[C@@]6([C@H]5CC47C3(C7)C)C)O)C)N(C1)CCNC(=O)CCCCCNC(=O)CCC8=CC=CC=C8
InChI: InChI=1S/C45H67N3O4/c1-30-25-38-41(48(28-30)24-23-47-39(50)13-9-6-10-22-46-40(51)17-14-32-11-7-5-8-12-32)31(2)45(52-38)21-19-36-35-16-15-33-26-34(49)18-20-42(33,3)37(35)27-44(36)29-43(44,45)4/h5,7-8,11-12,26,30-31,34-38,41,49H,6,9-10,13-25,27-29H2,1-4H3,(H,46,51)(H,47,50)/t30-,31+,34-,35-,36-,37-,38+,41-,42-,43?,44?,45?/m0/s1
SMILES: CCN(CC)C(=O)[C@H]1[C@@H](O1)[C@H]([C@H]([C@H]2[C@@H](COC(O2)(C)C)O)O)O
InChI: InChI=1S/C15H27NO7/c1-5-16(6-2)14(20)13-12(22-13)10(19)9(18)11-8(17)7-21-15(3,4)23-11/h8-13,17-19H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13-/m1/s1
SMILES: C1=C2C(=CC(=C1Cl)Cl)N(N=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C11H11Cl2N3O4/c12-4-1-6-7(2-5(4)13)16(15-14-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2/t8-,9-,10-,11-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=NNC3=CC=CC=C32
InChI: InChI=1S/C18H23N3O3/c1-11-7-3-5-9-14(11)19-17(22)12(2)24-18(23)16-13-8-4-6-10-15(13)20-21-16/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H,19,22)(H,20,21)/t11-,12-,14-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@@H]4[C@@H](C[C@H]([C@H]3O[C@@H]2O1)OCC5=CC=CC=C5)CC(=O)CC4=O)C
InChI: InChI=1S/C22H26O6/c1-22(2)27-20-18-17-13(8-14(23)10-15(17)24)9-16(19(18)26-21(20)28-22)25-11-12-6-4-3-5-7-12/h3-7,13,16-21H,8-11H2,1-2H3/t13-,16-,17-,18-,19-,20-,21-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C43H68N10O11S/c1-24(2)17-27(20-35(56)53-64)40(60)49-31(19-26-12-14-28(54)15-13-26)42(62)50-30(18-25(3)4)41(61)47-21-36(57)46-22-37(58)48-29(39(44)59)9-7-8-16-45-34(55)11-6-5-10-33-38-32(23-65-33)51-43(63)52-38/h12-15,24-25,27,29-33,38,54,64H,5-11,16-23H2,1-4H3,(H2,44,59)(H,45,55)(H,46,57)(H,47,61)(H,48,58)(H,49,60)(H,50,62)(H,53,56)(H2,51,52,63)/t27?,29-,30-,31-,32-,33-,38-/m0/s1
SMILES: B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)C(C)COCC4=CC=C(C=C4)OC
InChI: InChI=1S/C21H31BO4/c1-14(12-24-13-15-6-8-17(23-5)9-7-15)22-25-19-11-16-10-18(20(16,2)3)21(19,4)26-22/h6-9,14,16,18-19H,10-13H2,1-5H3/t14?,16-,18-,19+,21-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)C5=CN=CC=C5)C)C
InChI: InChI=1S/C33H49NO2/c1-22(2)8-6-9-23(3)28-13-14-29-27-12-11-25-20-26(36-31(35)24-10-7-19-34-21-24)15-17-32(25,4)30(27)16-18-33(28,29)5/h7,10-11,19,21-23,26-30H,6,8-9,12-18,20H2,1-5H3/t23-,26?,27+,28-,29+,30+,32+,33-/m1/s1
SMILES: C[C@H](C=NOCC[C@@H]1C=C[C@@H]([C@H](O1)COC(=O)C)OC(=O)C)[C@@H](C(C)C)OCC2=CC=CC=C2
InChI: InChI=1S/C26H37NO7/c1-18(2)26(31-16-22-9-7-6-8-10-22)19(3)15-27-32-14-13-23-11-12-24(33-21(5)29)25(34-23)17-30-20(4)28/h6-12,15,18-19,23-26H,13-14,16-17H2,1-5H3/t19-,23+,24+,25-,26-/m1/s1
SMILES: C1=CC(=CC=C1O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)Cl
InChI: InChI=1S/C12H15ClO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC(=C3Cl)Cl)C4=CC=CC=N4
InChI: InChI=1S/C17H14Cl2N2/c18-13-8-7-12-10-4-3-5-11(10)16(21-17(12)15(13)19)14-6-1-2-9-20-14/h1-4,6-11,16,21H,5H2/t10-,11+,16+/m0/s1
SMILES: CNC1=C2C(=NC(=N1)N)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C11H18N6O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H2,18,19,20)(H2,21,22,23)(H3,12,13,15,16)/t5-,6+,7+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=C(C=C[C@@H]1COCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C26H34O4SSi/c1-26(2,3)32(4,5)30-25-18-24(31(27,28)23-14-10-7-11-15-23)17-16-22(25)20-29-19-21-12-8-6-9-13-21/h6-18,22,25H,19-20H2,1-5H3/t22-,25+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=CC=C2F)C(C)C
InChI: InChI=1S/C19H25FO4/c1-12(2)14-9-8-13(3)10-17(14)24-18(21)11-23-19(22)15-6-4-5-7-16(15)20/h4-7,12-14,17H,8-11H2,1-3H3/t13-,14+,17+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@@H]2[C@@H]3CCC=C4[C@@H]3O[C@]2(CCC4=O)OC
InChI: InChI=1S/C20H24O5/c1-22-14-8-6-13(7-9-14)12-24-19-16-5-3-4-15-17(21)10-11-20(19,23-2)25-18(15)16/h4,6-9,16,18-19H,3,5,10-12H2,1-2H3/t16-,18+,19-,20+/m1/s1
SMILES: C[C@]12C[C@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@@H]([C@H]([C@H](O6)CO)O)O)O)O
InChI: InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14+,15-,16-,18+,19-,20+,21+,22+,23+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](O[C@H]2O1)/C=C/[N+](=O)[O-])OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H19NO6/c1-16(2)22-14-13(20-10-11-6-4-3-5-7-11)12(8-9-17(18)19)21-15(14)23-16/h3-9,12-15H,10H2,1-2H3/b9-8+/t12-,13-,14+,15+/m1/s1
SMILES: C1[C@@H]2C[C@H]3[C@H]1[C@H]([C@@H]2C(=O)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O3
InChI: InChI=1S/C18H16F3NO5/c19-18(20,21)9-2-1-3-10(6-9)22-13(23)7-26-16(24)14-8-4-11-12(5-8)27-17(25)15(11)14/h1-3,6,8,11-12,14-15H,4-5,7H2,(H,22,23)/t8-,11+,12+,14-,15-/m1/s1
SMILES: CN1C(=O)[C@H]2CN3[C@]([C@H]2C1=O)(SC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C20H17N3O2S/c1-22-18(24)15-12-23-20(16(15)19(22)25,14-10-6-3-7-11-14)26-17(21-23)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16+,20-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H27O12P/c1-9(18)25-7-13-15(26-10(2)19)17(28-12(4)21)16(27-11(3)20)14(29-13)8-30(22,23-5)24-6/h13-17H,7-8H2,1-6H3/t13-,14+,15+,16+,17+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC)C)C)C)OC1)OS(=O)(=O)C
InChI: InChI=1S/C29H48O6S/c1-17-13-25(35-36(6,30)31)29(33-16-17)18(2)26-24(34-29)15-23-21-8-7-19-14-20(32-5)9-11-27(19,3)22(21)10-12-28(23,26)4/h17-26H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,29+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CCCC5=CC=CC=C5
InChI: InChI=1S/C27H33N5O2/c1-32(2)21-12-10-20(11-13-21)22-14-16-29-27(30-22)31-24-18-34-25-23(17-33-26(24)25)28-15-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-14,16,23-26,28H,6,9,15,17-18H2,1-2H3,(H,29,30,31)/p+1/t23-,24-,25+,26+/m0/s1
SMILES: C/C=C/1\CN([C@H]2CC3C(C(=O)C[C@@H]1[C@H]2CO)NC4=C3C=CC=C4OC)C
InChI: InChI=1S/C21H28N2O3/c1-4-12-10-23(2)17-8-15-13-6-5-7-19(26-3)21(13)22-20(15)18(25)9-14(12)16(17)11-24/h4-7,14-17,20,22,24H,8-11H2,1-3H3/b12-4+/t14-,15?,16+,17-,20?/m0/s1