0 B8R1.7 C=C(C)C1=NC=CS1 T71747 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.7 CC(=O)C1=NNC=N1 AT12117 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,0,0,0|0,0,4]=4 7 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,0,0,0,0,0|1,0,1]=2 9 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,0,0,0,0,0|2,1,1]=4 12 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,0,0,0,0,0|2,1,1]=4 13 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,0,0,0,0,0|2,1,1]=4 23 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,0,0|0,1,2]=3 25 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,0,0|0,1,2]=3 26 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,0,0|0,1,2]=3 27 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,0,0,0,0,0|1,1,2]=4 28 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,0,0,0,0,0|1,1,2]=4 29 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,0,0,0,0,0|1,1,2]=4 30 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,0,0,0,0,0|1,1,2]=4 36 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,0,0,0,0,0|1,1,2]=4 37 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,0,0,0,0,0|2,0,2]=4 39 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,0,0,0,0,0|2,0,2]=4 40 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 N=C(N)C1=NC=CN1 38079 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.7 N=C(N)C1=NC=CN1 P15498 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,0,0|1,1,0]=2 45 B8R1.7 NC(=S)C1=CC=NN1 D79737 [0,0,0,0,0,0|3,1,0]=4 46 B8R1.7 NC(=S)C1=CN=CS1 AT14770 [0,0,0,0,0,0|2,2,0]=4 47 B8R1.7 NC(=S)C1=COC=C1 AT17536 [0,0,0,0,0,0|3,1,0]=4 48 B8R1.7 NC(=S)C1=NC=CS1 AT14697 [0,0,0,0,0,0|2,2,0]=4 49 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.7 O=C(Cl)C1=NON=C1 F10297 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,0,0,0,0,0|2,0,2]=4 52 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,0,0,0,0,0|2,1,0]=3 54 B7R1.1 C=CC1=NC=CS1 C72532 [1,0,0,0,0,0|1,1,1]=4 55 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 CNC1=NN=CO1 AT18791 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 NNC1=CC=CS1 W17128 [1,0,0,0,0,0|2,1,0]=4 61 B7R1.1 O=CC1=CSN=C1 83208 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 O=CC1=CSN=N1 A51062 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.1 SCC1=CC=CS1 T72725 [1,0,0,0,0,0|0,2,1]=4 65 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [0,1,0,0,0,0|1,0,2]=4 66 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,1,0,0,0,0|0,1,1]=3 72 B9R1.11 NNC(=O)C1=CC=NN1 P10142 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.11 N\C(=N\O)C1=CC=NO1 F51701 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.11 O=C(CBr)C1=CN=CS1 D74482 [0,1,0,0,0,0|1,1,0]=3 76 B9R1.11 O=C(CBr)C1=CSC=N1 79583 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.11 O=C(CBr)C1=NC=CS1 AC5165 [0,1,0,0,0,0|1,1,0]=3 78 B9R1.11 O=C(CCl)C1=CC=NS1 AT21156 [0,1,0,0,0,0|1,1,0]=3 79 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.11 O=C(CCl)C1=CSN=C1 AT21136 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.11 O=C(CCl)C1=NOC=C1 AT19853 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,1,0,0,0,0|0,1,0]=2 83 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.19 CS(=O)(=O)C1=NC=CN1 AC1454 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.19 O=S(=O)(Cl)C1=CC=CO1 H10563 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.35 CC(C)C1=CC(N)=NO1 AT19779 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.35 CC(C)C1=CN=C(Br)O1 AT18460 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.35 CC(C)C1=CN=C(Cl)O1 AT18556 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.35 CC(C)C1=CN=C(N)O1 AT18720 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.35 CC(C)C1=NC=C(Br)O1 AT18554 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.35 CC1=NOC(C(=O)O)=N1 72017 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.35 CC1=NOC(C(=O)[O-])=N1 D87501 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.35 C[C@H](N)C1=CC(Br)=NO1 AT19712 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.35 C[C@H](N)C1=CC(Br)=NO1 AT19715 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [0,1,0,0,0,0|1,0,1]=3 111 B9R1.35 C[C@H](N)C1=CC=C(Cl)S1 30561 [0,1,0,0,0,0|1,1,1]=4 112 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 39106 [0,1,0,0,0,0|0,1,2]=4 113 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 P19372 [0,1,0,0,0,0|0,1,2]=4 114 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [0,1,0,0,0,0|0,0,2]=3 115 B9R1.35 FC(F)C1=CC=C(I)O1 AT17270 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,1,0,0,0,0|1,1,0]=3 117 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.35 NC(=O)N1C=C(Br)C=N1 W19306 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,1,0,0,0,0|2,1,0]=4 120 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,1,0,0,0,0|2,1,0]=4 121 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,1,0,0,0,0|1,1,0]=3 122 B9R1.35 NC1=NN=C(C(=O)O)O1 D74010 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 NC1=NN=C(C(=O)[O-])O1 AT24496 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,1,0,0,0,0|1,1,0]=3 127 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 O=C(O)C1=NC(Br)=NO1 D78703 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,1,0,0,0,0|2,1,0]=4 134 B9R1.35 O=C([O-])C1=NC=C(Br)S1 AT14693 [0,1,0,0,0,0|2,1,0]=4 135 B9R1.35 O=[N+]([O-])C1=CC=C(Cl)S1 W15255 [0,1,0,0,0,0|2,1,0]=4 136 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,1,0,0,0,0|0,0,0]=1 137 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,1,0,0,0,0|0,1,0]=2 138 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.41 CC(C)C1=C(N)C=NO1 AT19808 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,1,0,0,0,0|2,1,0]=4 142 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.41 CC1=CON=C1C(N)=O 95085 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.41 CN1C=CN=C1C(=O)Cl AT15683 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.41 FC(F)C1=C(Br)C=CO1 AT17257 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.41 NC(=O)C1=C(Br)SC=N1 C14022 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [0,1,0,0,0,0|1,1,0]=3 151 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [0,1,0,0,0,0|1,1,0]=3 153 B9R1.41 NC(=O)C1=NSC=C1Br D80071 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.4 C=CCOCC(=O)O D77063 [0,0,1,0,0,0|1,0,2]=4 162 B9R2.7 O=C1C[C@@H]2C=CC[C@H]12 F12960 [0,0,0,1,0,0|1,0,2]=4 163 B9R1.6 CN(C)C1=NC=NC=C1 O12006 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [0,0,0,0,0,1|2,0,1]=4 165 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,0,1|2,0,1]=4 166 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,0,1|2,0,1]=4 167 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,0,1|2,0,1]=4 169 B9R1.6 C[C@H](N)C1=NC=CC=N1 72045 [0,0,0,0,0,1|2,0,1]=4 170 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [0,0,0,0,0,1|2,0,1]=4 171 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [0,0,0,0,0,1|2,0,1]=4 172 B9R1.6 C[C@H](N)C1=NC=NC=C1 N10689 [0,0,0,0,0,1|2,0,1]=4 173 B9R1.6 C[C@H](N)C1=NC=NC=C1 P10880 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,0,0,0,0,1|1,0,2]=4 175 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.6 N=C(N)C1=NC=NC=C1 F30402 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,0,0,1|1,0,2]=4 181 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.6 O=C([O-])[C@@H]1CCC=CO1 AT21457 [0,0,0,0,0,1|1,0,2]=4 184 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,0,1|2,0,1]=4 186 B9R1.13 CC(=O)CC1=CSC=C1 66590 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.13 CC(=O)CN1C=CC=N1 AT23998 [0,0,0,0,0,1|2,0,0]=3 188 B9R1.13 CC(=O)CN1C=NC=N1 F50411 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.13 CC(=O)CN1N=CC=N1 AT15940 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.13 CC(=O)NC1=CNN=C1 AT23103 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.13 C[C@H](O)CC1=CC=CO1 W11911 [0,0,0,0,0,1|0,0,2]=3 192 B9R1.13 NC(=O)CC1=CC=CN1 72456 [0,0,0,0,0,1|2,0,0]=3 193 B9R1.13 NC(=O)NC1=NC=CS1 W15996 [0,0,0,0,0,1|2,1,0]=4 194 B9R1.13 O=C(O)CC1=CC=NN1 79593 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.13 O=C(O)CC1=CSC=N1 AC3265 [0,0,0,0,0,1|3,0,0]=4 196 B6R0.4 C=C\C=C/C(=O)O C74528 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.4 C=C\C=C\C(=O)O 35918 [1,0,1,0,0,0|1,0,0]=3 198 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,0,1,0,0,0|0,0,1]=3 199 B6R1.2 CC1=CN=CO1 C77581 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 CC1=NC=CO1 O10838 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 CC1=NSC=C1 AC6637 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 ClC1=NC=CO1 F20650 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 NC1=CC=CS1 44128 [2,0,0,0,0,0|1,1,0]=4 204 B6R1.2 NC1=CC=CS1 F10359 [2,0,0,0,0,0|1,1,0]=4 205 B6R1.2 SC1=NC=CO1 AT18533 [2,0,0,0,0,0|1,1,0]=4 206 B8R1.1 BrCC1=CC=C(Br)O1 55253 [1,1,0,0,0,0|1,0,1]=4 207 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.1 CC1=COC(C#N)=C1 AT17407 [1,1,0,0,0,0|1,0,1]=4 209 B8R1.1 CC1=COC(CO)=C1 AT17124 [1,1,0,0,0,0|0,0,2]=4 210 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,1,0,0,0,0|1,1,0]=4 212 B8R1.1 CCC1=CC=C(S)S1 AT16555 [1,1,0,0,0,0|0,1,1]=4 213 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,1,0,0,0,0|1,1,0]=4 214 B8R1.1 N#CC1=CC=C(Cl)O1 AT17409 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.1 NCC1=CC(Cl)=CO1 50492 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.1 NCC1=CC=C(Br)O1 79914 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.1 NCC1=CC=C(Br)O1 94512 [1,1,0,0,0,0|1,0,1]=4 218 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,1,0,0,0,0|0,0,0]=2 219 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,1,0,0,0,0|0,1,0]=3 220 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [1,1,0,0,0,0|1,1,0]=4 221 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 O=CC1=NC(Cl)=CS1 P12467 [1,1,0,0,0,0|1,1,0]=4 223 B8R1.1 O=CC1=NC=C(I)S1 S10281 [1,1,0,0,0,0|1,1,0]=4 224 B8R1.1 O=CC1=NNC(Br)=C1 F13791 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.8 BrCCC1=CC=CS1 F20027 [1,1,0,0,0,0|0,1,1]=4 226 B8R1.8 O=CCC1=CC=CS1 O10539 [1,1,0,0,0,0|0,1,0]=3 227 B8R1.8 O=CCC1=NC=CS1 D88143 [1,1,0,0,0,0|1,1,0]=4 228 B8R1.8 O=CCC1=NN=CO1 W10330 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.11 CCC1=C(N)C=NO1 AT19807 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.11 COC1=C(Br)C=CS1 AT16340 [1,1,0,0,0,0|1,1,0]=4 234 B8R1.11 COC1=C(C)C=CS1 91670 [1,1,0,0,0,0|1,1,0]=4 235 B8R1.11 N#CC1=C(Br)C=CO1 AT17437 [1,1,0,0,0,0|1,0,1]=4 236 B8R1.11 NC1=C(C=O)SC=C1 O10948 [1,1,0,0,0,0|0,1,0]=3 237 B8R1.11 O=CC1=C(Br)SC=N1 AT14701 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.11 O=CC1=C(I)C=CS1 AT16727 [1,1,0,0,0,0|0,1,0]=3 239 B8R1.11 O=CC1=C(I)C=NN1 S11458 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.11 O=CC1=CNC=C1Br AT16220 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.11 O=CC1=CSC=C1Cl AT16877 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.13 C=C(C)C1=NC=C(Br)C=N1 AT18379 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,1,0,0,0,1|1,0,0]=3 245 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,1,0,0,0,1|1,0,0]=3 251 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,1|1,0,0]=3 252 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.15 COC(=O)C1=CCCCO1 S11698 [0,1,0,0,0,1|0,0,2]=4 255 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,0,0,0,1|1,0,1]=4 257 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,0,0,0,1|1,0,1]=4 258 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,1|1,0,0]=3 260 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,1,0,0,0,1|1,0,0]=3 261 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,1,0,0,0,1|1,0,0]=3 262 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,1,0,0,0,1|1,0,0]=3 263 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,0,1|1,0,0]=3 266 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,1,0,0,0,1|1,0,0]=3 269 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,0,1|1,0,0]=3 270 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,1,0,0,0,1|1,0,0]=3 271 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,1,0,0,0,1|1,0,0]=3 272 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,1,0,0,0,1|1,0,0]=3 273 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C14874 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.23 CC(=O)C(=O)C1=CC=CS1 H11148 [0,1,0,0,0,1|0,1,0]=3 293 B10R1.23 CC(C)[C@H](N)C1=CC=CO1 N16714 [0,1,0,0,0,1|1,0,1]=4 294 B10R1.23 CC(O)C(N)C1=CC=CO1 N16789 [0,1,0,0,0,1|0,0,2]=4 295 B10R1.23 C[C@@H](C(=O)O)C1=CC=CO1 AT17464 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,1,0,0,0,1|1,1,0]=4 297 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16786 [0,1,0,0,0,1|0,0,2]=4 298 B10R1.23 C[C@@H](O)[C@H](N)C1=CC=CO1 N16788 [0,1,0,0,0,1|0,0,2]=4 299 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16785 [0,1,0,0,0,1|0,0,2]=4 300 B10R1.23 C[C@H](O)[C@H](N)C1=CC=CO1 N16787 [0,1,0,0,0,1|0,0,2]=4 301 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,1,0,0,0,1|1,1,0]=4 302 B10R1.27 COC(=O)CC1=CC=CN1 AB10301 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.27 COC(=O)CC1=NNC=C1 F14156 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.54 CC(=O)NC1=CC=C(Br)S1 27544 [0,1,0,0,0,1|0,1,0]=3 305 B10R1.54 CC(=O)NC1=NC(C)=CN1 72448 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 F19659 [0,1,0,0,0,1|1,1,0]=4 307 B10R1.54 O=C(Cl)CC1=CC=C(Br)S1 AC8730 [0,1,0,0,0,1|1,1,0]=4 308 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [0,2,0,0,0,0|1,0,1]=4 309 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [0,2,0,0,0,0|1,0,1]=4 310 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,2,0,0,0,0|0,0,0]=2 311 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [0,2,0,0,0,0|1,0,1]=4 312 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [0,2,0,0,0,0|1,0,1]=4 313 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [0,2,0,0,0,0|1,0,1]=4 314 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,2,0,0,0,0|0,0,0]=2 315 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [0,2,0,0,0,0|1,0,1]=4 316 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [0,2,0,0,0,0|1,0,1]=4 317 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [0,2,0,0,0,0|1,0,1]=4 318 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,2,0,0,0,0|0,1,0]=3 319 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,2,0,0,0,0|0,0,0]=2 320 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,2,0,0,0,0|0,1,0]=3 321 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16761 [0,2,0,0,0,0|1,0,1]=4 322 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16762 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16763 [0,2,0,0,0,0|1,0,1]=4 324 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,2,0,0,0,0|0,0,0]=2 325 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,2,0,0,0,0|0,1,0]=3 326 B10R1.14 COC(=O)C1=CC(N)=NO1 D78675 [0,2,0,0,0,0|1,0,0]=3 327 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,2,0,0,0,0|0,1,0]=3 328 B10R1.14 COC(=O)C1=CN=C(S)S1 SC1359 [0,2,0,0,0,0|1,1,0]=4 329 B10R1.14 COC(=O)C1=CNC(=S)N1 S11050 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.14 COC(=O)C1=COC(I)=N1 O11880 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.14 NC[C@H](N)C1=CC=C(Br)O1 N14886 [0,2,0,0,0,0|1,0,1]=4 335 B10R1.149 COC(=O)C1=C(Br)N=CO1 D72101 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.149 COC(=O)C1=C(Br)N=CS1 AT21323 [0,2,0,0,0,0|1,1,0]=4 337 B10R1.149 COC(=O)C1=C(C)C=NN1 D86990 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.149 COC(=O)C1=C(Cl)N=CS1 C71076 [0,2,0,0,0,0|1,1,0]=4 339 B10R1.149 COC(=O)C1=C(F)C=CN1 91532 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.149 COC(=O)C1=C(N)C=CN1 D86691 [0,2,0,0,0,0|1,0,0]=3 341 B10R1.149 COC(=O)C1=CSC=C1C 57777 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.149 COC(=O)C1=NSC=C1Br D80070 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.149 COC(=O)C1=NSC=C1N AT21157 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.149 NCC(=O)C1=C(N)NC=N1 P12482 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.55 CS(=O)(=O)C1=CC=C(Br)S1 P10552 [0,2,0,0,0,0|1,1,0]=4 346 B10R1.65 O=S(=O)(Cl)C1=C(Br)C=CO1 AT17399 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.31 C=CC1=CSC(C(C)=O)=C1 A51005 [0,2,0,0,0,0|0,1,0]=3 348 B10R1.31 CC(=O)C1=CC=C(C#N)O1 AT17433 [0,2,0,0,0,0|0,0,0]=2 349 B10R1.31 CC(C)C1=CC=C(C=O)O1 F53542 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,2,0,0,0,0|1,0,0]=3 351 B10R1.31 CNC1=NC=C(C(=O)O)O1 AT18685 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,2,0,0,0,0|1,0,0]=3 353 B10R1.31 COC1=NOC(C(N)=O)=C1 W11044 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,2,0,0,0,0|1,0,0]=3 356 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,2,0,0,0,0|1,1,0]=4 357 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [0,2,0,0,0,0|1,1,0]=4 359 B10R1.58 CC(=O)C1=CC(Br)=C(Br)O1 AT15595 [0,2,0,0,0,0|0,0,0]=2 360 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,2,0,0,0,0|1,1,0]=4 361 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,2,0,0,0,0|1,1,0]=4 362 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 F18115 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.59 CC(=O)C1=CC(N)=CN1C 97921 [0,2,0,0,0,0|1,0,0]=3 364 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.59 CC(=O)C1=NN(C)C=C1N W12223 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,2,0,0,0,0|1,0,0]=3 367 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,2,0,0,0,0|1,1,0]=4 368 B10R1.59 NC(=O)C1=C(F)C=C(N)S1 92878 [0,2,0,0,0,0|1,1,0]=4 369 B10R1.59 NC(=O)C1=CC(Br)=CN1N P13138 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.59 NC1=C(C(=O)O)SC(Br)=C1 58229 [0,2,0,0,0,0|1,1,0]=4 371 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,2,0,0,0,0|1,1,0]=4 373 B10R1.194 NC1=C(C(=O)O)SC=C1Br N16943 [0,2,0,0,0,0|1,1,0]=4 374 B10R1.39 CCC1=C(C(=O)O)SC=C1 AT16411 [0,2,0,0,0,0|1,1,0]=4 375 B10R1.39 CSC1=C(C(=O)O)SC=C1 AT16424 [0,2,0,0,0,0|1,1,0]=4 376 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,0,1,1,0,0|0,0,2]=4 377 B10R2.16 NC1(C2=CC=CO2)CC1 CS1803 [0,1,0,1,0,0|1,0,1]=4 378 B10R2.32 O=C1CCC2=CNC=C12 F12460 [0,1,0,1,0,0|2,0,0]=4 379 B10R2.32 O=C1CCN2C=NC=C12 C13949 [0,1,0,1,0,0|2,0,0]=4 380 B10R2.32 O=C1NCC2=C1SC=C2 84280 [0,1,0,1,0,0|0,1,0]=3 381 B10R2.32 O=C1NCC2=CC=CN12 F52206 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,0,0,0,1|1,0,1]=4 383 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,1|1,0,1]=4 384 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,1|2,0,0]=4 385 B8R1.2 CSC1=NC=CC=N1 O10841 [1,0,0,0,0,1|2,0,0]=4 386 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,2|2,0,0]=4 387 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,2|1,0,0]=3 388 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,2|2,0,0]=4 389 B10R1.66 O=C(O)CSC1=CC=CS1 AT21321 [0,0,0,0,0,2|1,1,0]=4