0 B9R1.23 CC1=C(NC(=N1)CO)C Z1172334787 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.23 CC1=C(OC(=N1)CN)C Z661694000 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.23 CC1=C(OC(=N1)CO)C Z1374898967 [0,0,0,0,0,0|1,1,2]=4 3 B9R1.23 CC1=C(SC(=C1)CN)C Z1258578420 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.23 CC1=C(SC(=N1)C=O)C Z1037606538 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.23 CC1=C(SC(=N1)CN)C Z803066590 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.23 CC1=C(SC(=N1)CO)C Z1037609712 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.23 CC1=NC(=NN1C)CO Z3026707856 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.23 CCC1=NC(=C(S1)N)C Z1762997381 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.23 CCC1=NN(C(=N1)N)C Z995040956 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.23 CCN1C=C(C(=N1)C)N Z2106593745 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=CN=C(S1)CN Z994267440 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.1 CC1=CSC(=N1)CO Z1037609598 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.1 CCC1=NC(=NS1)N Z1203581808 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.1 CCC1=NNC(=N1)C Z1271843082 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.1 CCC1CC(CN1)C Z1203749385 [1,0,0,0,0,0|1,0,2]=4 17 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.1 CCC1CCC(N1)C Z1582263727 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.1 CCC1COC(=N1)N Z3231924235 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 CNC1=NC(=CS1)C Z48860943 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.1 CNC1=NC(=NS1)C Z1203731956 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 CNC1=NC(=O)CS1 Z1203731442 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CNC1=NC=C(S1)C Z3333486563 [1,0,0,0,0,0|1,0,2]=4 25 B8R1.18 CC1=C(SC(=N1)Cl)C Z1037582644 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.18 CC1=C(SC(=N1)N)C Z48847528 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.18 CC1=C(SC(=N1)S)C Z1198148053 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.18 CC1=NC(=C(N1)C)C Z2785909774 [1,0,0,0,0,0|1,0,2]=4 29 B8R1.18 CC1=NC(=C(S1)N)C Z951281412 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.18 CC1SC(=NC1=O)N Z57104427 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.34 CCN1N=C(C(=C1N)C)C Z904980660 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.35 CCC1=NC(=C(O1)CN)C Z2197092576 [0,1,0,0,0,0|0,1,2]=4 34 B10R1.35 CCC1=NC(=C(O1)CO)C Z1897843014 [0,1,0,0,0,0|0,1,2]=4 35 B10R1.35 CCC1=NC(=C(S1)Br)CO Z2751144304 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.35 CCN1N=C(C(=N1)CN)C Z2378828634 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.35 CCN1N=C(C(=N1)CO)C Z2235330340 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.131 CC1=C(SC(=N1)CC#N)C Z48848938 [0,1,0,0,0,0|0,0,3]=4 39 B10R1.131 CC1=C(SC(=N1)CCN)C Z803066586 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|3,0,0]=4 42 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.19 CCC(C)CC(C)NC Z5008996647 [0,0,1,0,0,0|3,0,0]=4 45 B7R0.3 CCCCC(=O)CC Z406378226 [1,0,1,0,0,0|2,0,0]=4 46 B7R0.3 CCCCC(C)NC Z446022384 [1,0,1,0,0,0|2,0,0]=4 47 B7R0.3 CCCNC(=O)CC Z33030426 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|1,0,0]=3 50 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.5 CCCC(C)C(C)N Z2737299926 [1,0,1,0,0,0|0,0,2]=4 53 B7R0.5 CCOC(C)C(=N)N Z1268703736 [1,0,1,0,0,0|1,1,0]=4 54 B7R0.5 CCSC(C)C(=N)N Z1483957022 [1,0,1,0,0,0|1,0,0]=3 55 B7R0.12 CCNC(CC)CC Z2130642482 [1,0,1,0,0,0|0,0,2]=4 56 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,1,0,0,0|2,0,0]=4 57 B9R1.7 CC1=CN=C(S1)CCN Z994267436 [1,1,0,0,0,0|0,0,2]=4 58 B9R1.7 CCNC1=NC(=CS1)C Z48854598 [1,1,0,0,0,0|0,0,2]=4 59 B9R1.21 CCC1=NC(=CS1)CN Z336081000 [1,1,0,0,0,0|0,0,2]=4 60 B9R1.21 CCC1=NC(=CS1)CO Z336080998 [1,1,0,0,0,0|0,0,2]=4 61 B9R1.22 CCN1N=C(CC1=O)C Z277112236 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.35 CC1=CN=C(S1)C(C)N Z431954102 [1,1,0,0,0,0|0,0,2]=4 63 B9R1.35 CC1=CN=C(S1)C(C)O Z1136431626 [1,1,0,0,0,0|0,0,2]=4 64 B9R1.35 CC1=CSC(=N1)C(C)N Z803082186 [1,1,0,0,0,0|0,0,2]=4 65 B9R1.35 CC1=CSC(=N1)C(C)O Z1136431593 [1,1,0,0,0,0|0,0,2]=4 66 B9R1.37 CC1=NN(C(=O)C1C)C Z727720668 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.50 CCC1=NC(=C(S1)C(=O)C)C Z401537698 [0,2,0,0,0,0|0,0,2]=4 68 B11R1.50 CCC1=NC(=C(S1)C(C)O)C Z875037918 [0,2,0,0,0,0|0,0,2]=4 69 B11R1.187 CCC1=C(SC(=N1)CCN)C Z317043092 [0,2,0,0,0,0|0,0,2]=4 70 B11R1.79 CC1=C(SC(=N1)C(C)(C)N)C Z803083652 [0,2,0,0,0,0|0,0,2]=4 71 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,1,1,0,0|2,0,0]=4 72 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,1,1,0,0|2,0,0]=4 73 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,1,1,0,0|2,0,0]=4 74 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,0,1,1,0,0|2,0,0]=4 75 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,1,1,0,0|2,0,0]=4 76 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,1,1,0,0|2,0,0]=4 77 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,0,1,1,0,0|1,1,0]=4 78 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,1,1,0,0|2,0,0]=4 79 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,1,0|1,0,1]=4 80 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,1,0|1,0,1]=4 81 B11R2.678 CC1=CC2CCCC(C1)N2 Z3835770186 [0,0,0,1,0,1|2,0,0]=4 82 B7R0.10 CCC(C)C(O)CC Z1138194601 [0,0,1,0,1,0|0,1,1]=4 83 B7R1.11 C[C@H]1C([C@@H]1C)CN Z4165830246 [0,0,0,0,2,0|1,0,1]=4 84 B9R1.34 CC1NC(SC(S1)C)C Z1198150431 [1,0,0,0,0,1|0,0,2]=4