0 B28R4.59488427 COC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCCCC4 MCULE-4695711379 [0,0,0,0,0,0|1,0,0]=1 1 B28R4.59488427 COC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCOCC4 MCULE-8379523345 [0,0,0,0,0,0|0,0,0]=0 2 B27R4.26594571 CC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCCCC4 MCULE-4147627535 [1,0,0,0,0,0|1,0,0]=2 3 B27R4.26594571 CC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCOCC4 MCULE-1672042716 [1,0,0,0,0,0|0,0,0]=1 4 B27R4.26594571 CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCCN4CCCCC4 MCULE-5232133142 [1,0,0,0,0,0|2,0,0]=3 5 B27R4.26594571 CN1C2=C(C=C(C=C2)Br)C3=C1N=C(N=N3)SCCN4CCOCC4 MCULE-6903747287 [1,0,0,0,0,0|1,0,0]=2 6 B27R4.26594571 CN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCCCC4)F MCULE-8543693798 [1,0,0,0,0,0|2,0,0]=3 7 B27R4.26594571 CN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCOCC4)F MCULE-2884015219 [1,0,0,0,0,0|1,0,0]=2 8 B27R4.45585288 CCC1=CC=C2NC3=C(C2=C1)N=NC(=N3)SCCN4CCCCC4 MCULE-6057881160 [1,0,0,0,0,0|2,0,0]=3 9 B27R4.45585288 CCC1=CC=C2NC3=C(C2=C1)N=NC(=N3)SCCN4CCOCC4 MCULE-2550895746 [1,0,0,0,0,0|1,0,0]=2 10 B27R4.45585288 COC1=CC=C2NC3=C(C2=C1)N=NC(=N3)SCCN4CCCCC4 MCULE-3787898677 [1,0,0,0,0,0|1,0,0]=2 11 B27R4.45585288 COC1=CC=C2NC3=C(C2=C1)N=NC(=N3)SCCN4CCOCC4 MCULE-9511173552 [1,0,0,0,0,0|0,0,0]=1 12 B29R4.2378405 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCCCC4)OC MCULE-8986130321 [0,1,0,0,0,0|1,0,0]=2 13 B29R4.2378405 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCOCC4)OC MCULE-2424504617 [0,1,0,0,0,0|0,0,0]=1 14 B29R4.95382643 CCC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCCC4 MCULE-2052740928 [0,1,0,0,0,0|2,0,1]=4 15 B29R4.95382643 COC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCCC4 MCULE-7206875107 [0,1,0,0,0,0|1,0,1]=3 16 B26R3.409224250 CCN(CC)CCSC1=NC2=C(N=N1)C3=CC(=CC=C3N2C)OC MCULE-8373720625 [1,0,1,0,0,0|0,0,0]=2 17 B26R4.17245031 BrC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN4CCOCC4 MCULE-2749105330 [2,0,0,0,0,0|1,0,0]=3 18 B26R4.17245031 BrC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCCN4CCOCC4 MCULE-5802088986 [2,0,0,0,0,0|1,0,0]=3 19 B26R4.17245031 CC1=CC2=C(C=C1)NC3=NC(=NN=C23)SCCN4CCOCC4 MCULE-6531323010 [2,0,0,0,0,0|0,0,0]=2 20 B26R4.18304764 CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 MCULE-6350355732 [2,0,0,0,0,0|0,0,0]=2 21 B26R4.18304764 CN1C2=NC(=NN=C2C3=C1C=CC=C3)SCCN4CCCCC4 MCULE-1222659924 [2,0,0,0,0,0|1,0,0]=3 22 B28R4.35844522 CC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCCC4 MCULE-1726415419 [1,1,0,0,0,0|1,0,1]=4 23 B28R4.35844522 CN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCC(=O)N4CCOCC4)Br MCULE-4503212044 [1,1,0,0,0,0|1,0,1]=4 24 B28R4.35844522 CN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCC(=O)N4CCOCC4)F MCULE-2719623724 [1,1,0,0,0,0|1,0,1]=4 25 B28R4.110744470 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCCCC4)C MCULE-2872182796 [1,1,0,0,0,0|1,0,0]=3 26 B28R4.110744470 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCCCC4)F MCULE-3227962386 [1,1,0,0,0,0|2,0,0]=4 27 B28R4.110744470 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCOCC4)C MCULE-7205090811 [1,1,0,0,0,0|0,0,0]=2 28 B28R4.110744470 CCN1C2=CC=C(C=C2C3=C1N=C(N=N3)SCCN4CCOCC4)F MCULE-6783216462 [1,1,0,0,0,0|1,0,0]=3 29 B28R4.584931633 CC1=CC(=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCCCC4)C MCULE-4539480108 [1,1,0,0,0,0|1,0,0]=3 30 B28R4.584931633 CC1=CC(=C2C(=C1)C3=C(N2C)N=C(N=N3)SCCN4CCOCC4)C MCULE-5814861580 [1,1,0,0,0,0|0,0,0]=2 31 B28R4.62964703 COC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)N4CCCCC4 MCULE-5114367647 [1,1,0,0,0,0|1,0,1]=4 32 B28R4.209550031 CC(C)C1=CC=C2NC3=C(C2=C1)N=NC(=N3)SCCN4CCOCC4 MCULE-2517066789 [1,1,0,0,0,0|1,0,0]=3 33 B28R4.286874585 CCC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCC4 MCULE-3602944344 [0,1,0,0,1,0|1,0,1]=4 34 B30R4.92020089 CCOC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCCC4 MCULE-7506980928 [0,2,0,0,0,0|1,0,1]=4 35 B30R4.350599321 COC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCCCC4C MCULE-2077978919 [0,2,0,0,0,0|1,0,1]=4 36 B30R4.350599323 COC1=CC=C2C(=C1)C3=C(N2C)N=C(N=N3)SCC(=O)N4CCC(CC4)C MCULE-1501040361 [0,2,0,0,0,0|1,0,1]=4