0 B52R7.853869785 C12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C=C6CCN5C)OC)OC)OC MCULE-8373478754 [0,0,0,0,0,0|0,0,0]=0 1 B52R7.853869785 [C@@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@@H]5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C=C6CCN5C)OC)OC MCULE-8690347206 [0,0,0,0,0,0|0,0,0]=0 2 B52R7.853869785 [C@H]12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C=C6CCN5C)OC)OC)OC MCULE-8890424200 [0,0,0,0,0,0|0,0,0]=0 3 B52R7.853869785 [C@H]12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C=C6CCN5C)OC)OC)OC MCULE-2548279289 [0,0,0,0,0,0|0,0,0]=0 4 B52R7.853869785 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)OC)OC)CCN5C MCULE-6334861355 [0,0,0,0,0,0|0,0,0]=0 5 B52R7.853869785 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)OC)OC)CCN5C MCULE-7779971171 [0,0,0,0,0,0|0,0,0]=0 6 B51R7.920918050 COC1=C2C=C(C=C1)CC3C4=C(OC5=C(C=C6CCN(C(C6=C5)CC7=CC=C(O2)C=C7)C)OC)C(=C(C=C4CCN3C)OC)O MCULE-9473690086 [1,0,0,0,0,0|0,0,0]=1 7 B51R7.920918050 COC1=CC2=C3C=C1OC4=C(C(=CC5=C4[C@@H](CC6=CC(=C(C=C6)OC)OC7=CC=C(C=C7)C[C@@H]3N(CC2)C)N(CC5)C)OC)O MCULE-9574668792 [1,0,0,0,0,0|0,0,0]=1 8 B51R7.920918050 [C@H]12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)O)OC)CCN5C)OC MCULE-1038503354 [1,0,0,0,0,0|0,0,0]=1 9 B51R7.920918050 [C@H]12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@H]5C6=C(OC7=C(C=C(C1=C7)CCN2C)OC)C(=C(C=C6CCN5C)OC)O)OC MCULE-5602112041 [1,0,0,0,0,0|0,0,0]=1 10 B51R7.920918050 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)O)OC)CCN5C MCULE-4873661091 [1,0,0,0,0,0|0,0,0]=1 11 B51R7.920918050 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)O)OC)CCN5C MCULE-5037968497 [1,0,0,0,0,0|0,0,0]=1 12 B51R7.1212341576 COC1=C2C=C3C(=C1)CCN([C@H]3CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O2)C(=C(C=C7CCN6C)OC)OC)O)C MCULE-8599353042 [1,0,0,0,0,0|0,0,0]=1 13 B51R7.1212341576 COC1=CC2=C3C=C1OC4=C(C(=CC5=C4C(CC6=CC(=C(C=C6)O)OC7=CC=C(C=C7)CC3N(CC2)C)N(CC5)C)OC)OC MCULE-7825125488 [1,0,0,0,0,0|0,0,0]=1 14 B51R7.1212341576 COC1=CC2=C3C=C1OC4=C(C(=CC5=C4C(CC6=CC=C(C(=C6)OC7=CC=C(C=C7)CC3N(CC2)C)O)N(CC5)C)OC)OC MCULE-1680809407 [1,0,0,0,0,0|0,0,0]=1 15 B51R7.1212341576 COC1=CC2=C3C=C1OC4=C(C(=CC5=C4C(CC6=CC=C(C(=C6)OC7=CC=C(C=C7)CC3N(CC2)C)O)N(CC5)C)OC)OC MCULE-3287612708 [1,0,0,0,0,0|0,0,0]=1 16 B51R7.1212341576 COC1=CC2=C3C=C1OC4=C(C(=CC5=C4[C@@H](CC6=CC(=C(C=C6)O)OC7=CC=C(C=C7)C[C@@H]3N(CC2)C)N(CC5)C)OC)OC MCULE-5816428628 [1,0,0,0,0,0|0,0,0]=1 17 B51R7.1212341576 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4O)C[C@@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)OC)OC)CCN5C MCULE-6247921386 [1,0,0,0,0,0|0,0,0]=1 18 B51R7.1212341576 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4O)C[C@@H]5C6=C(C=C(C(=C6OC7=C(C=C(C1=C7)CCN2C)OC)OC)OC)CCN5C MCULE-6699394396 [1,0,0,0,0,0|0,0,0]=1 19 B51R7.1212341576 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4O)C[C@@H]5C6=C(C=C(C(=C6OC7=CC1=C(C=C7OC)CCN2C)OC)OC)CCN5C MCULE-8424323281 [1,0,0,0,0,0|0,0,0]=1 20 B53R7.843824544 COC1=CC=C2C=C1OC3=CC=C(C=C3)C[C@H]4C5=C(C=C(C(=C5)OC6=C7C(=CC(=C6OC)OC)CCN([C@@H]7C2)C)OC)CC[N+]4(C)[O-] MCULE-9680262644 [0,1,0,0,0,0|0,0,1]=2 21 B53R7.843824880 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@H]5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C(=C6CCN5C)Br)OC)OC MCULE-2420986220 [0,1,0,0,0,0|0,0,0]=1 22 B50R7.731212886 [C@@H]12CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=C(C=C(C(=C6OC7=CC1=C(C=C7OC)CCN2C)O)OC)CCN5C)O MCULE-1594983406 [2,0,0,0,0,0|0,0,0]=2 23 B52R6.2302064228 COC1=CC2=C(C=C1OC)[C@H](N(CC2)C)CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@@H]5C6=C(C=C(C(=C6)OC)OC)CCN5C MCULE-2231994499 [0,1,1,0,0,0|0,0,0]=2 24 B52R7.853868405 [C@@H]12CC3=CC=C(C(=C3)OC4=CC=C(C=C4)CC5=NCCC6=C5C=C(OC7=C1C(=C(C(=C7OC)OC)O)CCN2C)C(=C6)OC)OC MCULE-5094356852 [1,1,0,0,0,0|0,0,2]=4 25 B54R7.329782006 COC1=CC2=C3C=C1OC4=C5C(=C(C(=C4OC)OC)OC)CCN(C5CC6=CC(=C(C=C6)OC)OC7=CC=C(C=C7)CC3N(CC2)C)C MCULE-2079398858 [0,2,0,0,0,0|0,0,0]=2 26 B54R7.329782006 COC1=CC=C2C=C1OC3=CC=C(C=C3)CC4C5=CC(=C(C=C5CCN4C)OC)OC6=C(C(=C(C7=C6C(C2)N(CC7)C)OC)OC)OC MCULE-8676512526 [0,2,0,0,0,0|0,0,0]=2 27 B54R7.329782006 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@H]5C6=C(CCN5C)C(=C(C(=C6OC7=CC1=C(C=C7OC)CCN2C)OC)OC)OC MCULE-3278157137 [0,2,0,0,0,0|0,0,0]=2 28 B54R7.329782006 [C@H]12CC3=CC=C(C=C3)OC4=CC(=CC=C4OC)C[C@H]5C6=C(OC7=CC1=C(C=C7OC)CCN2C)C(=C(C(=C6CCN5C)OC)OC)OC MCULE-3804794622 [0,2,0,0,0,0|0,0,0]=2 29 B52R7.692707055 COC1=CC2=C3C(=C1)OC4=C(C(=CC5=C4[C@H](CC6=CC(=C(C=C6)OC)OC7=CC=C(C=C7)C[C@@H]3N(CC2)C)N(CC5)C)OC)OC MCULE-2205423638 [0,0,1,1,0,0|0,0,0]=2