0 B26R3.399860372 CCN1C=C(C(=O)C2=C1C=C(C(=C2)Cl)N3CCN(CC3)C)C(=O)O MCULE-4928256088 [0,0,0,0,0,0|0,1,0]=1 1 B26R3.399860372 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCN(CC3)C)C(=O)O MCULE-3089581863 [0,0,0,0,0,0|0,0,0]=0 2 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCC(CC3)C)F)C(=O)O MCULE-2060154168 [0,0,0,0,0,0|1,0,0]=1 3 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C(=O)O MCULE-3576829094 [0,0,0,0,0,0|0,0,0]=0 4 B26R3.399860372 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C(=S)N MCULE-5520548953 [0,0,0,0,0,0|1,1,0]=2 5 B26R3.399860372 CNN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCN(CC3)C)C(=O)O MCULE-1357444370 [0,0,0,0,0,0|1,0,0]=1 6 B25R3.323186845 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C#N MCULE-6127786790 [1,0,0,0,0,0|1,0,1]=3 7 B25R3.337309120 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCCCC3)C(=O)O MCULE-1448396732 [1,0,0,0,0,0|1,0,0]=2 8 B25R3.337309120 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCNCC3)C(=O)O MCULE-1115657359 [1,0,0,0,0,0|0,0,0]=1 9 B25R3.337309120 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCNCC3)C(=O)O MCULE-7434377835 [1,0,0,0,0,0|0,0,0]=1 10 B25R3.337309120 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCOCC3)C(=O)O MCULE-1742219509 [1,0,0,0,0,0|1,0,0]=2 11 B25R3.337309120 CCN1C=C(C(=O)C2=C1N=C(C(=C2)F)N3CCNCC3)C(=O)O MCULE-2632820619 [1,0,0,0,0,0|1,0,0]=2 12 B25R3.337309120 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCOCC3)F)N(=O)=O MCULE-3738979308 [1,0,0,0,0,0|2,0,1]=4 13 B25R3.448609465 CC1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)C)C(=O)O)F MCULE-9733405576 [1,0,0,0,0,0|1,0,0]=2 14 B27R3.189114814 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCN(CC3)N=O)C(=O)O MCULE-5873703932 [0,1,0,0,0,0|1,0,0]=2 15 B27R3.670705864 CN1CCN(CC1)C2=CC3=C(C=C2F)C(=O)C(=CN3CCF)C(=O)O MCULE-4725874865 [0,1,0,0,0,0|0,0,0]=1 16 B27R3.1080327398 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)/C(=N/O)/N MCULE-4192572321 [0,1,0,0,0,0|1,0,0]=2 17 B27R3.1080327398 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C)F)C(=O)NN MCULE-6433548468 [0,1,0,0,0,0|1,0,0]=2 18 B24R3.43033867 CCN1C=C(C(=O)C2=C1N=C(N=C2)N3CCNCC3)C(=O)O MCULE-8992370691 [2,0,0,0,0,0|2,0,0]=4 19 B24R3.337490519 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)C)C#N)F MCULE-4939968471 [2,0,0,0,0,0|1,0,1]=4 20 B24R3.23625775 CN1C=C(C(=O)C2=CC(=C(C=C12)N3CCCCC3)F)C(=O)O MCULE-8422802729 [2,0,0,0,0,0|1,0,0]=3 21 B24R3.23625775 CN1C=C(C(=O)C2=CC(=C(C=C12)N3CCOCC3)F)C(=O)O MCULE-6674351804 [2,0,0,0,0,0|1,0,0]=3 22 B26R3.171861569 CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)CC)C#N)F MCULE-2898738979 [1,1,0,0,0,0|1,0,1]=4 23 B26R3.399860374 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCOCC3)C(=O)NN MCULE-9261753112 [1,1,0,0,0,0|2,0,0]=4 24 B26R3.399860374 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)N3CCSCC3)C(=O)NN MCULE-3399844881 [1,1,0,0,0,0|2,0,0]=4 25 B26R3.399917070 CCN1C=C(C(=O)C2=C1C(=C(C(=C2)F)N3CCOCC3)F)C(=O)O MCULE-5075847096 [1,1,0,0,0,0|1,0,0]=3 26 B26R3.171861574 CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)C)C(=O)O)F MCULE-9780230969 [1,1,0,0,0,0|0,0,0]=2 27 B28R3.280822892 CCN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)CC)/C(=N/O)/N)F MCULE-9900402938 [0,2,0,0,0,0|1,0,0]=3 28 B28R3.1227359313 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C(=O)C)F)C(=O)O MCULE-3059488317 [0,2,0,0,0,0|0,0,0]=2 29 B28R3.1227359313 CCN1C=C(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C(=S)N)F)C(=O)O MCULE-2015122154 [0,2,0,0,0,0|0,0,1]=3 30 B28R3.1227359313 CCN1CC(C(=O)C2=CC(=C(C=C12)N3CCN(CC3)C(=O)C)F)C(=O)O MCULE-8862781730 [0,2,0,0,0,0|0,0,2]=4 31 B28R3.3728938354 CN1CCN(CC1)C2=C(C3=C(C=C2F)C(=O)C(CN3CCF)C(=O)O)F MCULE-6726261173 [0,2,0,0,0,0|0,0,2]=4 32 B28R3.3728938354 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2F)CCF)C(=O)O)F MCULE-4371060000 [0,2,0,0,0,0|0,0,0]=2 33 B28R3.3728938354 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2F)CCF)C(=O)O)F MCULE-5708927785 [0,2,0,0,0,0|0,0,0]=2 34 B28R3.943281570 CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC MCULE-8485412106 [0,2,0,0,0,0|0,0,0]=2 35 B28R4.727957115 CN1CCN(CC1)C2=C3SCCN4C3=C(C(=O)C(=C4)C(=O)O)C=C2F MCULE-3553789906 [0,1,0,1,0,0|0,0,0]=2 36 B28R4.727957115 C[NH+]1CCN(CC1)C2=C3SCCN4C3=C(C(=O)C(=C4)C(=O)[O-])C=C2F MCULE-5568830828 [0,1,0,1,0,0|0,0,2]=4 37 B28R4.1470436840 CN1CCN(CC1)C2=C(C=C3C(=O)C(=CN(C3=C2)C4CC4)C(=O)O)F MCULE-8362679927 [0,1,0,1,0,0|0,0,0]=2 38 B26R3.399860369 CCN1C=C(C(=O)C2=C1C=C(C(=C2)F)NC3CCCCC3)C(=O)O MCULE-1111293257 [1,0,0,0,0,1|2,0,0]=4