0 B19R4.3860109 C12CNC[C@H](C1)C3=CC4=NC=CN=C4C=C23 MCULE-4274194255 [0,0,0,0,0,0|0,0,0]=0 1 B19R4.3860109 C12CNC[C@H](C1)C3=CC4=NC=CN=C4C=C23 MCULE-9739843209 [0,0,0,0,0,0|0,0,0]=0 2 B19R4.3860109 C1=CN=C2C=C3C(=CC2=N1)C4CNCC3C4 MCULE-1632796854 [0,0,0,0,0,0|0,0,0]=0 3 B19R4.3860109 C1=CN=C2C=C3C(=CC2=N1)C4CNCC3C4 MCULE-5976746961 [0,0,0,0,0,0|0,0,0]=0 4 B19R4.3860109 C1=CN=C2C=C3C(=CC2=N1)[C@H]4CNC[C@@H]3C4 MCULE-3155041254 [0,0,0,0,0,0|0,0,0]=0 5 B19R4.3860109 C1=CN=C2C=C3C(=CC2=N1)[C@H]4CNC[C@@H]3C4 MCULE-6062264760 [0,0,0,0,0,0|0,0,0]=0 6 B19R4.3860109 C1=CNC2=CC3=C4CNCC(C4)C3=CC2=N1 MCULE-2603829737 [0,0,0,0,0,0|0,0,2]=2 7 B19R4.3860109 C1=CNC2=CC3=C4CNCC(C4)C3=CC2=N1 MCULE-3310780184 [0,0,0,0,0,0|0,0,2]=2 8 B19R4.3860109 C1=NC2=C(C=C3C(=C2)[C@H]4CNC[C@@H]3C4)N=C1 MCULE-2280553575 [0,0,0,0,0,0|0,0,0]=0 9 B19R4.3860109 C1=NC2=CC3=C(C=C2N=C1)C4CNCC3C4 MCULE-3341459784 [0,0,0,0,0,0|0,0,0]=0 10 B19R4.3860109 C1=NC2=CC3=C(C=C2N=C1)C4CNCC3C4 MCULE-5053909901 [0,0,0,0,0,0|0,0,0]=0 11 B19R4.3860109 C1=NC2=CC3=C(C=C2N=C1)C4CNCC3C4 MCULE-8873377767 [0,0,0,0,0,0|0,0,0]=0 12 B19R4.3860109 C1=NC2=CC3=C(C=C2N=C1)[C@@H]4CNC[C@H]3C4 MCULE-4998676494 [0,0,0,0,0,0|0,0,0]=0 13 B20R4.11038317 O=C1C=NC2=CC3=C(C=C2N1)C4CNCC3C4 MCULE-8630393341 [0,1,0,0,0,0|0,0,1]=2 14 B18R3.2123 C1=CC2=C(C=C1)C=C(C=C2)[C@@H]3CNCCN3 MCULE-2863351714 [0,0,1,0,0,0|3,0,0]=4 15 B18R3.2123 C1=CC2=C(C=C1)C=C(C=C2)[C@@H]3CNCCN3 MCULE-7680635593 [0,0,1,0,0,0|3,0,0]=4 16 B18R3.2123 C1=CC2=C(C=C1)C=C(C=C2)[C@H]3CNCCN3 MCULE-2867942999 [0,0,1,0,0,0|3,0,0]=4 17 B18R3.2123 C1=CC2=C(C=C1)C=C(C=C2)[C@H]3CNCCN3 MCULE-7642866798 [0,0,1,0,0,0|3,0,0]=4 18 B18R3.2123 C1=CC2=CC(=CC=C2N=C1)C3CCNCC3 MCULE-1649618980 [0,0,1,0,0,0|3,0,0]=4 19 B18R3.2123 C1=CC2=CC(=CC=C2N=C1)C3CCNCC3 MCULE-3213139646 [0,0,1,0,0,0|3,0,0]=4 20 B18R3.2123 C1=CC=C2C=C(C=CC2=C1)C3CNCCN3 MCULE-2438365334 [0,0,1,0,0,0|3,0,0]=4 21 B21R4.811477 O=CN1CC2CC(C1)C3=CC4=C(C=C23)N=CC=N4 MCULE-2727143759 [0,2,0,0,0,0|0,0,0]=2 22 B21R4.22626405 CN1C(=O)C=NC2=C1C=C3C(=C2)[C@H]4CNC[C@@H]3C4 MCULE-6314807600 [0,2,0,0,0,0|0,0,1]=3 23 B21R4.15869827 COC1=NC2=C(C=C3C(=C2)[C@@H]4CNC[C@H]3C4)N=C1 MCULE-8861925637 [0,2,0,0,0,0|0,0,0]=2 24 B19R4.16590962 C1=CC2=C(C=C1)C=C(C=C2)[C@]34CNC[C@H]3C4 MCULE-5412910563 [0,0,1,1,0,0|2,0,0]=4 25 B19R4.16590962 C1=CC2=C(C=C1)C=C(C=C2)[C@]34CNC[C@H]3C4 MCULE-5627885042 [0,0,1,1,0,0|2,0,0]=4 26 B19R4.16590962 C1=CC2=C(C=C1)C=C(C=C2)[C@]34CNC[C@H]3C4 MCULE-7376760865 [0,0,1,1,0,0|2,0,0]=4 27 B19R4.16590962 [C@@H]12CNC[C@@]1(C2)C3=CC=C4C=CC=CC4=C3 MCULE-9215403442 [0,0,1,1,0,0|2,0,0]=4 28 B19R4.16590962 [C@@H]12CNC[C@@]1(C2)C3=CC=C4C=CC=CC4=C3 MCULE-9922737100 [0,0,1,1,0,0|2,0,0]=4 29 B17R3.8 C1=CC2=C(N=C1)NC=C2C3CCCNC3 MCULE-7154456248 [0,0,1,0,1,0|2,0,0]=4 30 B17R3.8 C1=CC2=C(N=C1)NC=C2C3CCCNC3 MCULE-7601841029 [0,0,1,0,1,0|2,0,0]=4 31 B17R3.8 C1=CN=C2C(=N1)NN=C2C3CCCNC3 MCULE-2128956579 [0,0,1,0,1,0|2,0,0]=4 32 B17R3.1917 C1=CC2=C(C=C1)C=C(C=C2)[C@@H]3CCCN3 MCULE-7753030586 [0,0,1,0,1,0|2,0,0]=4 33 B17R3.1917 C1=CC2=C(C=C1)C=C(C=C2)[C@H]3CCCN3 MCULE-1614188952 [0,0,1,0,1,0|2,0,0]=4 34 B17R3.1917 C1=CC2=C(N=C1)N=C(C=C2)C3CCNC3 MCULE-1057628190 [0,0,1,0,1,0|2,0,0]=4 35 B17R3.1917 C1=CC2=C(N=C1)N=C(C=C2)C3CCNC3 MCULE-3482314916 [0,0,1,0,1,0|2,0,0]=4 36 B17R3.1917 C1=CC2=CC=C(C=C2C=C1)[C@@H]3CCCN3 MCULE-3426771884 [0,0,1,0,1,0|2,0,0]=4 37 B17R3.1917 C1=CC2=CC=C(C=C2C=C1)[C@H]3CCCN3 MCULE-7425552607 [0,0,1,0,1,0|2,0,0]=4 38 B17R3.1917 C1=CC=C2C=C(C=CC2=C1)C3CCCN3 MCULE-6398708435 [0,0,1,0,1,0|2,0,0]=4 39 B17R3.1917 C1=CC=C2C=C(C=CC2=C1)C3CCCN3 MCULE-7365643513 [0,0,1,0,1,0|2,0,0]=4 40 B17R3.1917 C1=CN=C2C=CC(=CC2=C1)C3CCCN3 MCULE-7236530395 [0,0,1,0,1,0|1,0,0]=3 41 B17R3.1917 C1=CN=C2C=CC(=CC2=C1)C3CCCN3 MCULE-9066170559 [0,0,1,0,1,0|1,0,0]=3 42 B17R3.1941 C1=CC2=CC(=CC=C2N1)[C@@H]3CNCCN3 MCULE-4063071100 [0,0,1,0,1,0|1,0,1]=4 43 B17R3.1941 C1=CC2=CC(=CC=C2N1)[C@@H]3CNCCN3 MCULE-5277781662 [0,0,1,0,1,0|1,0,1]=4 44 B17R3.1941 C1=CC2=CC(=CC=C2N1)[C@H]3CNCCN3 MCULE-5711348202 [0,0,1,0,1,0|1,0,1]=4 45 B17R3.1941 C1=CC2=CC(=CC=C2N1)[C@H]3CNCCN3 MCULE-8968521221 [0,0,1,0,1,0|1,0,1]=4 46 B17R3.1941 C1=CC2=CC=C(C=C2N1)[C@@H]3CNCCN3 MCULE-9317098831 [0,0,1,0,1,0|1,0,1]=4 47 B17R3.1941 C1=CC2=CC=C(C=C2N1)[C@@H]3CNCCN3 MCULE-9561703379 [0,0,1,0,1,0|1,0,1]=4 48 B17R3.1941 C1=CC2=CC=C(C=C2N1)[C@H]3CNCCN3 MCULE-3716678448 [0,0,1,0,1,0|1,0,1]=4 49 B17R3.1941 C1=CC2=CC=C(C=C2N1)[C@H]3CNCCN3 MCULE-8346495389 [0,0,1,0,1,0|1,0,1]=4 50 B17R3.8708 C1=CN=C2NC(=CC2=C1)C3CCCNC3 MCULE-3282456537 [0,0,1,0,1,0|2,0,0]=4 51 B17R3.8708 C1=CN=C2NC(=CC2=C1)C3CCCNC3 MCULE-3659764974 [0,0,1,0,1,0|2,0,0]=4 52 B19R3.19215 C1=CC2=C(C=C1)C=C(C=C2)OC3CCCNC3 MCULE-6228310268 [0,0,1,0,0,1|2,0,0]=4 53 B19R3.19215 C1=CC2=C(C=CC(=C2)CC3CCCNC3)N=C1 MCULE-8109320491 [0,0,1,0,0,1|1,0,0]=3 54 B19R3.19215 C1=CC=C2C=C(C=CC2=C1)CC3CCCNC3 MCULE-7487777354 [0,0,1,0,0,1|2,0,0]=4 55 B19R3.324605 C1=CN=C2C=CC(=CC2=C1)C3CCCCCN3 MCULE-5243893338 [0,0,1,0,0,1|2,0,0]=4 56 B19R3.324605 C1=CN=C2C=CC(=CC2=C1)C3CCCCCN3 MCULE-6011883203 [0,0,1,0,0,1|2,0,0]=4