0 B28R3.7974380 CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O MCULE-4840578390 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.7974380 CC1=CC=C(C=C1)C2(CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)O MCULE-7429991448 [0,0,0,0,0,0|0,0,1]=1 2 B28R3.7974380 O=C(CCCN1CCC(CC1)(O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F MCULE-6268732673 [0,0,0,0,0,0|1,0,0]=1 3 B28R3.7974380 O=C(CCCN1CCC(CC1)(O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)F MCULE-7152864612 [0,0,0,0,0,0|1,0,0]=1 4 B28R3.7974380 O=C(CCCN1CCC(CC1)(O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F MCULE-3693790133 [0,0,0,0,0,0|1,0,0]=1 5 B28R3.7974380 O=C(CCCN1CCC(CC1)(O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F MCULE-8541219736 [0,0,0,0,0,0|1,0,0]=1 6 B28R3.7974380 OC(CCCN1CCC(CC1)(O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F MCULE-3124131834 [0,0,0,0,0,0|1,0,2]=3 7 B27R3.1050 O=C(CCCN1CC=C(CC1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F MCULE-2351168506 [1,0,0,0,0,0|1,0,2]=4 8 B27R3.1050 O=C(CCCN1CC=C(CC1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F MCULE-8520495638 [1,0,0,0,0,0|1,0,2]=4 9 B27R3.1050 O=C(NCCN1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F MCULE-5187173563 [1,0,0,0,0,0|3,0,0]=4 10 B27R3.6418006 O=C(CCCN1CCC(CC1)(O)C2=CC=CC=C2)C3=CC=C(C=C3)F MCULE-1061865996 [1,0,0,0,0,0|0,0,0]=1 11 B27R3.19167932 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=NC=C3)O MCULE-8515456526 [1,0,0,0,0,0|2,0,0]=3 12 B27R3.19167932 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CN=CC=C3)O MCULE-7832173916 [1,0,0,0,0,0|2,0,0]=3 13 B27R3.19167932 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=NC=CC=C3)O MCULE-1424259085 [1,0,0,0,0,0|2,0,0]=3 14 B27R3.19167932 O=C(NCCN1CCC(CC1)(O)C2=CC=C(C=C2)F)C3=CC=NC=C3 MCULE-3952133577 [1,0,0,0,0,0|3,0,0]=4 15 B27R3.2894006 CC1=CC=C(N=C1)C2(CCN(CC2)CCC(=O)C3=CC=C(C=C3)F)O MCULE-5033527041 [0,0,0,0,1,0|1,0,0]=2 16 B27R3.159368207 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=C(S3)C)O MCULE-5640384815 [0,0,0,0,1,0|3,0,0]=4 17 B27R3.159368207 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CSC(=C3)C)O MCULE-7809487113 [0,0,0,0,1,0|3,0,0]=4 18 B29R3.10035184 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)CC3=CC=C(C=C3)Cl)O MCULE-7916891856 [0,0,0,0,0,1|1,1,0]=3 19 B29R3.10035184 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)CC3=CC=C(C=C3)F)O MCULE-2694463007 [0,0,0,0,0,1|1,0,0]=2 20 B29R3.10035184 CC1=CC=C(C=C1)CC(=O)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)C MCULE-4941714442 [0,0,0,0,0,1|2,0,0]=3 21 B29R3.10035184 CC1=CC=C(C=C1)CC(=O)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)F MCULE-8997045458 [0,0,0,0,0,1|3,0,0]=4 22 B29R3.10035184 O=C(CC1=CC=C(C=C1)Cl)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)F MCULE-1400446916 [0,0,0,0,0,1|2,1,0]=4 23 B29R3.10035184 O=C(CC1=CC=C(C=C1)F)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)F MCULE-3568744370 [0,0,0,0,0,1|2,0,0]=3 24 B26R3.25918 O=C(CCCN1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)F MCULE-9523842704 [2,0,0,0,0,0|1,0,0]=3 25 B26R3.25918 O=C(CCCN1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)F MCULE-9752529443 [2,0,0,0,0,0|1,0,0]=3 26 B26R3.25918 O=C(CCCN1CCN(CC1)C2=NC=CC=C2)C3=CC=C(C=C3)F MCULE-4749695585 [2,0,0,0,0,0|2,0,0]=4 27 B26R3.25918 O=C(NCCN1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)F MCULE-8956040130 [2,0,0,0,0,0|2,0,0]=4 28 B26R3.98192 O=C(CCCN1CCC(CC1)(O)C2=CC=CN=C2)C3=CC=CC=C3 MCULE-8573842969 [2,0,0,0,0,0|1,0,0]=3 29 B28R3.38655 COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F MCULE-1851459365 [1,1,0,0,0,0|2,0,0]=4 30 B28R3.3665447 COC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=NC=C3)O MCULE-2106386800 [1,1,0,0,0,0|2,0,0]=4 31 B28R3.3665447 COC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CN=CC=C3)O MCULE-1209628917 [1,1,0,0,0,0|2,0,0]=4 32 B28R3.234439755 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC(=CC=C3)F)O MCULE-3833000298 [1,1,0,0,0,0|1,0,0]=3 33 B28R3.234439761 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=CC=C3F)O MCULE-2396798421 [1,1,0,0,0,0|1,0,0]=3 34 B28R3.234439761 O=C(NCCN1CCC(CC1)(O)C2=CC=C(C=C2)F)C3=CC=CC=C3F MCULE-2738849905 [1,1,0,0,0,0|2,0,0]=4 35 B30R3.5440932 CC1=CC=C(N=C1)C2(CCN(CC2)CCCC(=O)NC3=CC=C(C=C3)C#N)O MCULE-2025355127 [0,1,0,0,0,1|2,0,0]=4 36 B30R3.5440932 COC1=CC=C(C=C1)CC(=O)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)C MCULE-2176794363 [0,1,0,0,0,1|2,0,0]=4 37 B30R3.1723363950 COC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)CC3=CC=C(C=C3)F)O MCULE-4840065733 [0,1,0,0,0,1|1,0,0]=3 38 B30R3.50553515 CCOC1=CC=C(C=C1)C(=O)NCCN2CCC(CC2)(O)C3=CC=C(C=C3)C MCULE-3152504769 [0,2,0,0,0,0|2,0,0]=4 39 B30R3.1605440181 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N(C)C)O MCULE-6416753646 [0,2,0,0,0,0|2,0,0]=4 40 B26R3.145833562 CC1=CC=C(C=C1)C2(CCN(CC2)CCNC(=O)C3=CC=CS3)O MCULE-8789597263 [1,0,0,0,1,0|2,0,0]=4