0 B30R5.946948000 CCC1(C(=O)OCC2=C1C=C3C4=NC5=C(C=CC=C5)C=C4CN3C2=O)O MCULE-8069978843 [0,0,0,0,0,0|0,0,0]=0 1 B30R5.946948000 CC[C@]1(C(=O)OCC2=C1C=C3C4=C(C=C5C=CC=CC5=N4)CN3C2=O)[O-] MCULE-7069029673 [0,0,0,0,0,0|0,0,1]=1 2 B30R5.946948000 CC[C@]1(C(=O)OCC2=C1C=C3C4=C(C=C5C=CC=CC5=N4)CN3C2=O)[O-] MCULE-9229254747 [0,0,0,0,0,0|0,0,1]=1 3 B30R5.946948000 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=C(C=CC=C5)C=C4CN3C2=O)O MCULE-1654983682 [0,0,0,0,0,0|0,0,0]=0 4 B30R5.946948000 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=C(C=CC=C5)C=C4CN3C2=O)O MCULE-7286604863 [0,0,0,0,0,0|0,0,0]=0 5 B31R5.273264926 CCC1(C(=O)OCC2=C1C=C3C4=NC5=CC=C(C=C5C=C4CN3C2=O)O)O MCULE-2982046781 [0,1,0,0,0,0|0,0,0]=1 6 B31R5.273264926 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=C(C=C5C=C4CN3C2=O)O)O MCULE-7100706267 [0,1,0,0,0,0|0,0,0]=1 7 B31R5.273264926 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=C(C=C5C=C4CN3C2=O)O)O MCULE-8047103610 [0,1,0,0,0,0|0,0,0]=1 8 B31R5.273264954 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C)O MCULE-3145191812 [0,1,0,0,0,0|0,0,0]=1 9 B31R5.273264954 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C)O MCULE-8095050273 [0,1,0,0,0,0|0,0,0]=1 10 B31R5.1290800461 CCC1(C(=O)OCC2=C1C=C3C4=NC5=C(C=C4CN3C2=O)C(=CC=C5)N)O MCULE-5068840824 [0,1,0,0,0,0|0,0,0]=1 11 B31R5.1290800461 CCC1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)O)O MCULE-6520158796 [0,1,0,0,0,0|0,0,0]=1 12 B31R5.1290800461 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)N)O MCULE-7175414234 [0,1,0,0,0,0|0,0,0]=1 13 B31R5.1290800461 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)N)O MCULE-9765473112 [0,1,0,0,0,0|0,0,0]=1 14 B31R5.1290800461 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)O)O MCULE-4466194725 [0,1,0,0,0,0|0,0,0]=1 15 B31R5.1290800461 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)O)O MCULE-4532390374 [0,1,0,0,0,0|0,0,0]=1 16 B31R5.577626766 CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C=C4CN3C2=O)O MCULE-3610491838 [0,0,0,0,0,1|0,0,0]=1 17 B31R5.577626766 CC[C@]1(CC(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C=C4CN3C2=O)O MCULE-5670411378 [0,0,0,0,0,1|0,0,0]=1 18 B30R4.1621882945 CCC(O)(C(=O)O)C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO MCULE-8615071320 [0,1,1,0,0,0|0,0,0]=2 19 B30R4.1621882945 CCC(O)(C(=O)[O-])C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO MCULE-4190862761 [0,1,1,0,0,0|0,0,1]=3 20 B30R4.1621882945 CC[C@@](O)(C(=O)[O-])C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC=CC4=C3)CO MCULE-2612506360 [0,1,1,0,0,0|0,0,1]=3 21 B30R4.1621882945 CC[C@@](O)(C(=O)[O-])C1=C(C(=O)N2CC3=C(C2=C1)N=C4C=CC=CC4=C3)CO MCULE-9663035328 [0,1,1,0,0,0|0,0,1]=3 22 B30R4.1621882945 CC[C@@](O)(C(=O)[O-])C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO MCULE-9472710825 [0,1,1,0,0,0|0,0,1]=3 23 B30R4.1621882945 CC[C@@](O)(C(=O)[O-])C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO MCULE-9653693556 [0,1,1,0,0,0|0,0,1]=3 24 B32R5.780624212 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=C(C=C5C=C4CN3C2=O)OC)O MCULE-1719617479 [0,2,0,0,0,0|0,0,0]=2 25 B32R5.780624212 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=C(C=C5C=C4CN3C2=O)OC)O MCULE-6293315319 [0,2,0,0,0,0|0,0,0]=2 26 B32R5.540332393 CCC1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C=O)O MCULE-1017294369 [0,2,0,0,0,0|0,0,0]=2 27 B32R5.540332393 CCC1=C2CN3C(=O)C4=C(C=C3C2=NC5=C1C=CC=C5)[C@@](C(=O)OC4)(O)CC MCULE-4181170491 [0,2,0,0,0,0|0,0,0]=2 28 B32R5.540332393 CCC1=C2CN3C(=O)C4=C(C=C3C2=NC5=CC=CC=C15)C(C(=O)OC4)(O)CC MCULE-1262892758 [0,2,0,0,0,0|0,0,0]=2 29 B32R5.540332393 CCC1=C2CN3C(=O)C4=C(C=C3C2=NC5=CC=CC=C15)[C@@](C(=O)OC4)(O)CC MCULE-2429908101 [0,2,0,0,0,0|0,0,0]=2 30 B32R5.540332393 CC[C@]1(C(=O)OCC2=C1C=C3C4=C(CN3C2=O)C(=C5C=CC=CC5=N4)C=O)O MCULE-2252755781 [0,2,0,0,0,0|0,0,0]=2 31 B32R5.540332393 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)C=O)O MCULE-2305796922 [0,2,0,0,0,0|0,0,0]=2 32 B32R5.316094869 CC[C@@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)OC)O MCULE-4714932232 [0,2,0,0,0,0|0,0,0]=2 33 B32R5.316094869 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)OC)O MCULE-3689606232 [0,2,0,0,0,0|0,0,0]=2 34 B32R5.316094869 CC[C@]1(C(=O)OCC2=C1C=C3C4=NC5=CC=CC(=C5C=C4CN3C2=O)OC)O MCULE-4196456030 [0,2,0,0,0,0|0,0,0]=2