0 B28R4.727957115 CN1CCN(CC1)C2=C3SCCN4C3=C(C(=O)C(=C4)C(=O)O)C=C2F MCULE-3553789906 [0,0,0,0,0,0|0,0,0]=0 1 B28R4.727957115 C[NH+]1CCN(CC1)C2=C3SCCN4C3=C(C(=O)C(=C4)C(=O)[O-])C=C2F MCULE-5568830828 [0,0,0,0,0,0|0,0,2]=2 2 B29R4.738439841 CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O MCULE-4783815942 [0,1,0,0,0,0|3,0,0]=4 3 B29R4.738439841 CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-7145616313 [0,1,0,0,0,0|1,0,0]=2 4 B29R4.738439841 CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)[O-])F)N4CCN(CC4)C MCULE-3164242046 [0,1,0,0,0,0|0,1,1]=3 5 B29R4.738439841 CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)[O-])F)N4CC[NH+](CC4)C MCULE-5746531107 [0,1,0,0,0,0|0,1,2]=4 6 B29R4.738439841 CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-2062191384 [0,1,0,0,0,0|0,1,0]=2 7 B29R4.738439841 CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-3182061888 [0,1,0,0,0,0|0,1,0]=2 8 B29R4.738439841 CN1CCN(CC1)C2=C3OCN(N4C3=C(C(=O)C(=C4)C(=O)O)C=C2F)C MCULE-5845744545 [0,1,0,0,0,0|1,1,0]=3 9 B29R4.738439841 C[C@@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-3584292818 [0,1,0,0,0,0|0,1,0]=2 10 B29R4.738439841 C[C@@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-6007235957 [0,1,0,0,0,0|0,1,0]=2 11 B29R4.738439841 C[C@H]1CCC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CCC(CC4)O MCULE-5247665041 [0,1,0,0,0,0|3,0,0]=4 12 B29R4.738439841 C[C@H]1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O MCULE-7585931762 [0,1,0,0,0,0|3,0,0]=4 13 B29R4.738439841 C[C@H]1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CCN(CC4)N MCULE-2360373993 [0,1,0,0,0,0|1,1,0]=3 14 B29R4.738439841 C[C@H]1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)[O-])F)N4CC[NH+](CC4)C MCULE-1927163841 [0,1,0,0,0,0|0,1,2]=4 15 B29R4.738439841 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-2011834955 [0,1,0,0,0,0|0,1,0]=2 16 B29R4.738439841 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-2223333495 [0,1,0,0,0,0|0,1,0]=2 17 B29R4.738439841 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-3144859381 [0,1,0,0,0,0|0,1,0]=2 18 B29R4.738439841 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-4652926593 [0,1,0,0,0,0|0,1,0]=2 19 B29R4.738439841 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O MCULE-5002729782 [0,1,0,0,0,0|0,1,0]=2 20 B29R4.738439847 CC1CN2C=C(C(=O)C3=CC(=C(C(=C23)O1)N4CCN(CC4)C)F)C(=O)O MCULE-3834527216 [0,1,0,0,0,0|0,1,0]=2 21 B27R3.670705864 CN1CCN(CC1)C2=CC3=C(C=C2F)C(=O)C(=CN3CCF)C(=O)O MCULE-4725874865 [0,0,1,0,0,0|1,0,0]=2 22 B26R3.399860372 CCN1C=C(C(=O)C2=C1C=C(C(=C2)Cl)N3CCN(CC3)C)C(=O)O MCULE-4928256088 [1,0,1,0,0,0|0,1,0]=3 23 B26R3.399860372 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCN(CC3)C)C(=O)O MCULE-3089581863 [1,0,1,0,0,0|0,0,0]=2 24 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCC(CC3)C)F)C(=O)O MCULE-2060154168 [1,0,1,0,0,0|1,0,0]=3 25 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C(=O)O MCULE-3576829094 [1,0,1,0,0,0|0,0,0]=2 26 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C(=S)N MCULE-5520548953 [1,0,1,0,0,0|1,1,0]=4 27 B26R3.399860372 CNN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCN(CC3)C)C(=O)O MCULE-1357444370 [1,0,1,0,0,0|1,0,0]=3 28 B26R3.399917070 CCN1C=C(C(=O)C2=C1C(=C(C(=C2)F)N3CCOCC3)F)C(=O)O MCULE-5075847096 [1,0,1,0,0,0|2,0,0]=4 29 B28R3.3728938354 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2F)CCF)C(=O)O)F MCULE-4371060000 [0,1,1,0,0,0|1,0,0]=3 30 B28R3.3728938354 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2F)CCF)C(=O)O)F MCULE-5708927785 [0,1,1,0,0,0|1,0,0]=3 31 B28R4.119018722 CC1COC2=C(C=CC3=C2N1C=C(C3=O)C(=O)O)N4CCN(CC4)C MCULE-1124658037 [1,1,0,0,0,0|0,1,0]=3 32 B28R4.119018722 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC=C2N4CCN(CC4)C)C(=O)O MCULE-8133919853 [1,1,0,0,0,0|0,1,0]=3 33 B28R4.522165990 CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CCNCC4 MCULE-1132765915 [1,1,0,0,0,0|0,1,0]=3 34 B28R4.522165990 CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O MCULE-3378914110 [1,1,0,0,0,0|0,1,0]=3 35 B28R4.522165990 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O MCULE-5924024693 [1,1,0,0,0,0|0,1,0]=3 36 B28R4.522165990 C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O MCULE-6049144031 [1,1,0,0,0,0|0,1,0]=3 37 B30R4.733161279 CC1CC(=O)C2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CCN(CC4)C MCULE-6259326733 [0,2,0,0,0,0|1,0,0]=3 38 B30R4.733161279 CC1CC(=O)C2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CCN(CC4)C MCULE-9720019687 [0,2,0,0,0,0|1,0,0]=3 39 B30R4.733171256 C[C@H]1COC2=C(C(=C(C3=C2N1C=C(C3=O)C(=O)O)N)F)N4CCN(CC4)C MCULE-1522884761 [0,2,0,0,0,0|0,1,0]=3 40 B30R4.733171256 C[C@H]1COC2=C(C(=C(C3=C2N1C=C(C3=O)C(=O)O)N)F)N4CCN(CC4)C MCULE-6013907717 [0,2,0,0,0,0|0,1,0]=3 41 B30R4.4409007075 CC1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CC[N+](CC4)(C)[O-] MCULE-9214139841 [0,2,0,0,0,0|0,1,1]=4 42 B30R4.4409007075 C[C@H]1COC2=C(C(=CC3=C2N1C=C(C3=O)C(=O)O)F)N4CC[N+](CC4)(C)[O-] MCULE-1613800794 [0,2,0,0,0,0|0,1,1]=4 43 B28R4.1470436840 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)C4CC4)C(=O)O)F MCULE-8362679927 [0,0,1,1,0,0|1,0,0]=3