0 B16R2.2822 O=C1CC(CC(=O)N1)CC2=CC=CC=C2 Z1095368833 [0,0,0,0,0,0|1,1,2]=4 1 B16R2.2822 O=C1CN(CC(=O)N1)CC2=CC=CC=C2 Z1157654117 [0,0,0,0,0,0|2,1,1]=4 2 B15R2.31 NC1=NC=CC(=C1)CC2=CC=CC=C2 Z4122766690 [1,0,0,0,0,0|2,0,1]=4 3 B15R2.31 OC1=NC=NC(=C1)CC2=CC=CC=C2 Z1201628791 [1,0,0,0,0,0|0,0,3]=4 4 B15R1.9084 NC(=O)NC(=O)CSCC1=CC=CC=C1 Z18739605 [0,0,1,0,0,0|1,1,1]=4 5 B17R3.34323 NC1=NC2=C(C(=O)N1)C3=C(N2)C=CC=C3 Z1509283286 [0,0,0,1,0,0|2,0,1]=4 6 B15R2.27 O=C1CC(NC(=O)N1)C2=CC=CC=C2 Z147646946 [0,0,0,0,1,0|0,1,2]=4 7 B15R2.325 CC1=C(N=C(N1)S)CC2=CC=CC=C2 Z56346990 [0,0,0,0,1,0|1,0,2]=4 8 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=CC=C2 Z1227757295 [0,0,0,0,1,0|0,1,2]=4 9 B15R2.325 O=C1CN(C(=S)N1)CC2=CC=CC=C2 Z823366584 [0,0,0,0,1,0|1,0,1]=3 10 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 Z56862344 [0,0,0,0,1,0|0,1,1]=3 11 B17R2.3212 O=C1C=C(NC(=O)N1)CSC2=CC=CC=C2 Z19750749 [0,0,0,0,0,1|0,1,0]=2 12 B17R2.3212 O=C1C=C(NC(=O)N1)CSC2=NC=CC=C2 Z73752925 [0,0,0,0,0,1|1,1,0]=3 13 B14R2.6 C1=CC=C(C=C1)CC2=CC=NC=C2 Z104477464 [2,0,0,0,0,0|1,0,1]=4 14 B14R2.6 C1=CC=C(C=C1)CC2=NC=CC=C2 Z57160157 [2,0,0,0,0,0|1,0,1]=4 15 B16R2.23 O=CC1=CC(=CC=C1)CC2=CC=CC=C2 Z1511745300 [1,1,0,0,0,0|2,0,0]=4 16 B16R2.124 O=C1C=C(NC=C1O)CC2=CC=CC=C2 Z1509330912 [1,1,0,0,0,0|1,0,0]=3 17 B16R2.19 CCC1=NC(=CC(=O)N1)C2=CC=CC=C2 Z56803686 [0,1,0,0,1,0|1,0,1]=4 18 B16R2.6164 CC1=C(NC(=NC1=O)S)C2=CC=CC=C2 Z2736936722 [0,1,0,0,1,0|0,0,2]=4 19 B16R2.6164 NC1=NC(=C(C(=O)N1)Br)C2=CC=CC=C2 Z1272069497 [0,1,0,0,1,0|1,0,1]=4 20 B16R2.79341 CC1=NC(=CC(=O)N1)C2=CC=C(C=C2)N Z374075900 [0,1,0,0,1,0|1,0,1]=4 21 B16R2.80704 O=C1C=C(NC(=O)N1)C2=CC=CC(=C2)Cl Z1267862974 [0,1,0,0,1,0|0,1,0]=3 22 B16R2.1131 CC1=CC=C(C=C1)/C=C\2/NC(=O)NC2=O Z57628780 [0,1,0,0,1,0|0,1,1]=4 23 B16R2.1131 CC1=CC=C(C=C1)/C=C\2/SC(=S)NC2=O Z44301532 [0,1,0,0,1,0|1,0,1]=4 24 B16R2.1131 NC1=CC=C(C=C1)CC2NC(=O)NC2=O Z1509155105 [0,1,0,0,1,0|0,1,1]=4 25 B16R2.1131 O=C1NC(=O)C(N1)CC2=CC=C(C=C2)O Z381433542 [0,1,0,0,1,0|0,1,1]=4 26 B16R2.1131 O=C\1NC(=S)S/C1=C/C2=CC=C(C=C2)Br Z44301460 [0,1,0,0,1,0|1,0,1]=4 27 B16R2.1131 O=C\1NC(=S)S/C1=C/C2=CC=C(C=C2)F Z44301469 [0,1,0,0,1,0|1,0,1]=4 28 B16R2.2900 O=C1NC(=O)N(C1=O)CC2=CC=CC=C2 Z56939286 [0,1,0,0,1,0|1,1,0]=4 29 B18R2.3664 CC(NC1=CC(=O)NC(=O)N1)C2=CC=CC=C2 Z1640894409 [0,1,0,0,0,1|0,1,0]=3 30 B18R2.3666 O=C1C=C(NC(=O)N1)C(=O)NC2=CC=CC=C2 Z31504513 [0,1,0,0,0,1|0,1,1]=4 31 B18R2.284623 O=C1C=C(NC(=O)N1)COC2=C(C=CC=C2)Br Z107220104 [0,1,0,0,0,1|0,1,0]=3 32 B16R2.2904 O=C1NC(=O)/C(=C\CC2=CC=CC=C2)/N1 Z359419558 [0,0,1,1,0,0|0,1,0]=3 33 B16R3.2637 O=C1C=C2CC3=C(C2=NN1)C=CC=C3 Z1013742898 [1,0,0,1,0,0|2,0,0]=4 34 B16R3.27838 O=C1NC=NC2=C1C3=C(N2)C=CC=C3 Z1255488551 [1,0,0,1,0,0|1,0,1]=4 35 B18R3.613346 O=C1NC(=O)C2=C(N1)N=C3C=CC=CC3=N2 Z56790788 [0,1,0,1,0,0|1,1,0]=4 36 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [0,0,1,0,1,0|0,1,0]=3 37 B14R1.818 NC(=S)CC(=O)NCC1=CC=CC=C1 Z56922197 [0,0,1,0,1,0|2,0,0]=4 38 B14R2.19 NC1=NNC(=C1)CC2=CC=CC=C2 Z1251353580 [1,0,0,0,1,0|1,0,1]=4 39 B14R2.19 O=C1C=CN(N1)CC2=CC=CC=C2 Z1813195083 [1,0,0,0,1,0|1,1,0]=4 40 B14R2.19 O=C1NN=C(N1)CC2=CC=CC=C2 Z1217215136 [1,0,0,0,1,0|1,0,1]=4 41 B14R2.19 O=C1NN=C(O1)CC2=CC=CC=C2 Z1206172055 [1,0,0,0,1,0|1,0,1]=4 42 B14R2.21 O=C1C=C(N=CN1)C2=CC=CC=C2 Z276162008 [1,0,0,0,1,0|0,0,1]=3 43 B14R2.21 O=C1N=C(C=CN1)C2=CC=CC=C2 Z1888397838 [1,0,0,0,1,0|0,1,1]=4 44 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [0,0,0,0,2,0|0,1,1]=4 45 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 Z55928831 [0,0,0,0,2,0|1,1,0]=4 46 B14R2.4458 O=C\1NC(=S)N/C1=C/C2=CC=CO2 Z44397497 [0,0,0,0,2,0|1,0,1]=4 47 B14R2.4458 O=C\1NC(=S)N/C1=C/C2=CC=CS2 Z44397484 [0,0,0,0,2,0|1,0,1]=4 48 B16R1.18213 CC(=O)NNC(=S)NCCC1=CC=CC=C1 Z33112642 [0,0,1,0,0,1|0,0,2]=4 49 B16R2.252 ClC1=N/C(=N\CC2=CC=CC=C2)/C=CN1 Z2757552149 [1,0,0,0,0,1|1,0,1]=4 50 B16R2.252 O=C1C=CNC(=N1)CCC2=CC=CC=C2 Z1827111442 [1,0,0,0,0,1|2,0,0]=4 51 B16R2.252 O=C1C=CNC(=N1)COC2=CC=CC=C2 Z1836155369 [1,0,0,0,0,1|2,0,0]=4 52 B16R2.312 O=C1NC(=NC=C1CC2=CC=CC=C2)S Z3251702531 [0,0,0,0,1,1|0,0,2]=4 53 B16R2.312 O=C1NC=C(C(=O)N1)CC2=CC=CC=C2 Z1341835583 [0,0,0,0,1,1|0,1,0]=3