0 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(N)C1=NC=CN=C1 CS-B0644 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 N=C(N)C1=CC=NC=C1 CS-0094490 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 O=C(O)C1=NC=CC=N1 CS-D0763 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 O=C(O)C1=NN=CC=C1 CS-W004823 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 OB(O)C1=CN=CN=C1 CS-D0207 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 CNC1=CN=CC=N1 CS-0038033 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 COC1=CN=CC=C1 CS-W008119 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.2 COC1=CN=CC=N1 CS-W011278 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 CSC1=CN=CC=N1 CS-W011155 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 ClCC1=NC=CC=N1 CS-B0589 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 ClCC1=NC=CN=C1 CS-W021436 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 N#CC1=CC=CN=C1 CS-0003918 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 NCC1=NC=CN=C1 CS-0002045 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 O=CC1=CC=CN=C1 CS-D1122 [1,0,0,0,0,0|1,0,2]=4 27 B8R1.2 OCC1=CC=NC=C1 CS-W007605 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.2 OCC1=CN=CC=N1 CS-W018634 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 OCC1=NC=CC=C1 CS-W020042 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 OCC1=NC=CC=N1 CS-D1205 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 OCC1=NC=NC=C1 CS-W018611 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [0,1,0,0,0,0|0,0,2]=3 33 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [0,1,0,0,0,0|0,0,2]=3 34 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [0,1,0,0,0,0|0,0,2]=3 35 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS-W019945 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.13 CC(C)C1=NC=C(N)C=C1 CS-W005813 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS-W019475 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS-B1315 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-D1603 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-M0647 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.13 FC(F)C1=NC=C(Br)C=C1 CS-W005281 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 N=C1C=CC(C(=O)O)=CN1 CS-W016509 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [0,1,0,0,0,0|1,0,2]=4 45 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [0,1,0,0,0,0|1,1,1]=4 47 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS-D0614 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,1,0,0,0,0|1,0,1]=3 50 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 CS-W005156 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS-W008789 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 OB(O)C1=CC=C(Cl)N=C1 CS-W019734 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS-D1103 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS-D1375 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.15 C=CS(=O)C1=CC=CC=C1 CS-0081516 [0,1,0,0,0,0|1,0,2]=4 56 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,1,0,0,0,0|1,0,2]=4 57 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [0,1,0,0,0,0|0,0,0]=1 58 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.15 N\N=C(/O)C1=CN=CC=C1 CS-W013333 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.28 CC(C)(N)C1=CC=CC=C1 CS-W004689 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.28 F[B-](F)(F)C1=CC=CC=C1 CS-W004750 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS-W020081 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.28 O=S(=O)(O)C1=CN=CC=C1 CS-W016183 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [0,1,0,0,0,0|0,0,2]=3 65 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [0,1,0,0,0,0|0,0,2]=3 66 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [0,1,0,0,0,0|0,0,2]=3 67 B10R1.61 CC(=O)C1=CC=CN=C1N CS-0002197 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.61 CC(=O)C1=NC=CC=C1F CS-W021536 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS-M1701 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.61 CN(C)C1=CC=CC=C1Br CS-0015849 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 C[C@H](N)C1=CC=CC=C1Br CS-0000338 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.61 NC(=O)C1=CC=CC=C1Br CS-0038446 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS-D0792 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.61 NC1=CC=CC=C1B(O)O CS-W008208 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 CS-D1685 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS-W017965 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [0,1,0,0,0,0|1,0,1]=3 79 B10R1.61 O=C(O)C1=CC=CN=C1F CS-D0952 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.61 O=C(O)C1=CC=CNC1=S CS-W020029 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.61 O=C(O)C1=NC=CC=C1F CS-D1556 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.61 O=[N+]([O-])C1=CC=CC=C1F CS-W008586 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.113 CC(=O)C1=CC(F)=CN=C1 CS-0046260 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [0,1,0,0,0,0|0,0,2]=3 85 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [0,1,0,0,0,0|0,0,2]=3 86 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [0,1,0,0,0,0|0,0,2]=3 87 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [0,1,0,0,0,0|0,0,2]=3 88 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CS-W013352 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.113 CC1=CC(B(O)O)=CC=N1 CS-W004821 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS-W021308 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.113 FC(F)C1=NC=CC(Br)=C1 CS-0042931 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 CS-W021882 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.113 NC1=CC(C(=O)O)=CC=C1 CS-W019987 [0,1,0,0,0,0|1,0,1]=3 96 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 CS-W020058 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS-W016469 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 CS-W019787 [0,1,0,0,0,0|1,0,1]=3 99 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS-W019850 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS-W004860 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.113 OB(O)C1=CC=CC(F)=C1 CS-D1463 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [0,0,0,0,1,0|1,0,2]=4 103 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [0,0,0,0,1,0|1,0,2]=4 104 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [0,0,0,0,1,0|1,0,2]=4 105 B8R1.7 CC(=O)C1=CSC=C1 CS-W007361 [0,0,0,0,1,0|1,0,2]=4 106 B8R1.7 CC(N)C1=NC=CS1 CS-W008693 [0,0,0,0,1,0|3,0,0]=4 107 B10R1.18 CC(C)NC1=CC=CC=C1 CS-W019925 [0,0,0,0,0,1|1,0,0]=2 108 B10R1.18 CC(C)OC1=CC=CN=C1 CS-0028731 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [0,0,0,0,0,1|1,0,1]=3 110 B7R1.3 BrC1=NC=CC=C1 CS-D1419 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.3 CC1=CN=CN=C1 CS-D0065 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 IC1=CC=CN=C1 CS-D1693 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.3 IC1=CC=NC=C1 CS-D1711 [2,0,0,0,0,0|2,0,0]=4 114 B7R1.3 OC1=CC=CN=C1 CS-W009147 [2,0,0,0,0,0|1,0,0]=3 115 B7R1.3 OC1=CN=CN=C1 CS-W019717 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.3 SC1=CC=NC=C1 CS-W013664 [2,0,0,0,0,0|1,1,0]=4 117 B9R1.1 C#CC1=CC=C(C)C=C1 CS-W013610 [1,1,0,0,0,0|0,0,2]=4 118 B9R1.1 C#CC1=CC=C(F)C=C1 CS-W016580 [1,1,0,0,0,0|0,0,2]=4 119 B9R1.1 C#CC1=CC=C(N)C=C1 CS-W004660 [1,1,0,0,0,0|0,0,2]=4 120 B9R1.1 CC1=CC=C(C=O)C=C1 CS-W013576 [1,1,0,0,0,0|0,0,2]=4 121 B9R1.1 CC1=CC=C(CO)C=C1 CS-W016577 [1,1,0,0,0,0|0,0,0]=2 122 B9R1.1 CC1=NC=C(CO)C=N1 CS-W019609 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.1 CCC1=CC=C(N)C=N1 CS-W018793 [1,1,0,0,0,0|1,0,0]=3 124 B9R1.1 CNC1=CC=C(C)C=C1 CS-W022904 [1,1,0,0,0,0|1,0,0]=3 125 B9R1.1 COC1=CC=C(Cl)C=C1 CS-W011015 [1,1,0,0,0,0|1,0,0]=3 126 B9R1.1 CSC1=CN=C(N)C=C1 CS-D0577 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.1 ClCC1=CN=C(Cl)C=C1 CS-W016127 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.1 N#CC1=CC=C(Br)C=C1 CS-W004663 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS-W018544 [1,1,0,0,0,0|1,0,1]=4 130 B9R1.1 N#CC1=CC=C(F)C=C1 CS-D1694 [1,1,0,0,0,0|1,0,1]=4 131 B9R1.1 N#CC1=CC=C(N)C=C1 CS-D1531 [1,1,0,0,0,0|1,0,1]=4 132 B9R1.1 N#CC1=CC=C(O)C=C1 CS-D1446 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.1 NC1=CC=C(CO)C=N1 CS-W008535 [1,1,0,0,0,0|1,0,0]=3 134 B9R1.1 NCC1=CC=C(Br)C=C1 CS-W007375 [1,1,0,0,0,0|1,0,0]=3 135 B9R1.1 NCC1=CC=C(Cl)C=C1 CS-W007535 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.1 NCC1=CN=C(Br)C=C1 CS-W005988 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.1 NNC1=CC=C(Cl)C=C1 CS-0059297 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS-W008778 [1,1,0,0,0,0|0,0,2]=4 139 B9R1.1 OCC1=CC=C(Cl)C=C1 CS-D1681 [1,1,0,0,0,0|0,0,0]=2 140 B9R1.1 OCC1=CC=C(I)C=C1 CS-W010340 [1,1,0,0,0,0|0,0,0]=2 141 B9R1.2 C#CC1=CC(N)=CC=C1 CS-W006161 [1,1,0,0,0,0|0,0,2]=4 142 B9R1.2 C=CC1=CC(Br)=CC=C1 CS-W015997 [1,1,0,0,0,0|0,0,2]=4 143 B9R1.2 C=CC1=CC(Cl)=CC=C1 CS-W011046 [1,1,0,0,0,0|0,0,2]=4 144 B9R1.2 C=CC1=CC(N)=CC=C1 CS-W011211 [1,1,0,0,0,0|0,0,2]=4 145 B9R1.2 CC1=CC(CN)=CC=C1 CS-W004682 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.2 CC1=CC(CN)=NC=C1 CS-0084608 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.2 CC1=CC(CO)=CC=N1 CS-W011186 [1,1,0,0,0,0|1,0,0]=3 148 B9R1.2 CC1=CC(NN)=CC=C1 CS-W016191 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.2 CC1=CC=CC(CN)=N1 CS-0100448 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.2 CC1=NC(CBr)=CC=C1 CS-W008251 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.2 CCC1=CC(N)=CC=C1 CS-W011198 [1,1,0,0,0,0|0,0,0]=2 152 B9R1.2 CNC1=CC=CC(Br)=C1 CS-M2372 [1,1,0,0,0,0|1,0,0]=3 153 B9R1.2 CNC1=CC=CC(I)=C1 CS-0108519 [1,1,0,0,0,0|1,0,0]=3 154 B9R1.2 COC1=NC=CC(I)=C1 CS-0005494 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.2 N#CC1=CC=CC(O)=C1 CS-D1474 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.2 NNC1=CC=CC(Br)=C1 CS-W007915 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.2 O=CC1=CC(F)=CC=C1 CS-W013534 [1,1,0,0,0,0|0,0,2]=4 158 B9R1.2 O=CC1=CC=CC(Cl)=C1 CS-W019946 [1,1,0,0,0,0|0,0,2]=4 159 B9R1.2 OCC1=CC(Br)=CN=C1 CS-W007450 [1,1,0,0,0,0|1,0,0]=3 160 B9R1.2 OCC1=NC(Cl)=CN=C1 CS-W020410 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [1,1,0,0,0,0|0,0,0]=2 162 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,1,0,0,0,0|0,0,0]=2 163 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [1,1,0,0,0,0|0,0,1]=3 164 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [1,1,0,0,0,0|0,0,0]=2 166 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [1,1,0,0,0,0|0,0,1]=3 167 B9R1.15 C=CC1=CC=CC=C1Br CS-W017069 [1,1,0,0,0,0|0,0,2]=4 168 B9R1.15 C=CC1=CC=CC=C1Cl CS-W016485 [1,1,0,0,0,0|0,0,2]=4 169 B9R1.15 CCC1=CC=CC=C1Br CS-W016966 [1,1,0,0,0,0|0,0,0]=2 170 B9R1.15 CCC1=CC=CC=C1I CS-0109507 [1,1,0,0,0,0|0,0,0]=2 171 B9R1.15 COC1=C(Br)N=CC=C1 CS-W007501 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.15 COC1=C(Cl)C=NC=C1 CS-0030492 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.15 COC1=C(N)C=CC=N1 CS-W008209 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.15 COC1=CC=CN=C1F CS-0097752 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.15 N#CC1=CC=CC=C1F CS-W013567 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.15 N#CC1=CC=CC=C1N CS-W013598 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.15 NC1=C(CO)C=NC=C1 CS-0044077 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.15 NCC1=CC=CC=C1I CS-0096870 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.15 NNC1=CC=CC=C1Br CS-W013082 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.15 NNC1=CC=CC=C1F CS-W016106 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.15 O=CC1=CC=CC=C1F CS-W008891 [1,1,0,0,0,0|0,0,2]=4 182 B9R1.15 OCC1=CC=CC=C1Cl CS-W016422 [1,1,0,0,0,0|0,0,0]=2 183 B9R1.15 OCC1=CC=CN=C1F CS-D0977 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 CS-0028773 [0,1,0,0,0,1|1,0,0]=3 185 B11R1.20 CC(C)OC1=CC=C(O)C=N1 CS-0100501 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS-W008979 [0,1,0,0,0,1|1,0,1]=4 187 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 CS-W013106 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS-W016186 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 CS-W010778 [0,1,0,0,0,1|1,0,1]=4 190 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,1,0,0,0,1|0,0,2]=4 191 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,1,0,0,0,1|1,0,1]=4 192 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,1,0,0,0,1|1,0,1]=4 193 B11R1.36 O=C(C1=CC=CC=C1)C(F)F CS-0095863 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,1,0,0,0,1|1,0,1]=4 195 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.86 CC(=O)CC1=CC=CC=C1Br CS-W007949 [0,1,0,0,0,1|0,0,2]=4 197 B11R1.86 CC(=O)NC1=CC=CC=C1N CS-W008938 [0,1,0,0,0,1|0,0,2]=4 198 B11R1.86 CC1=CC=CC=C1CC(=O)O CS-W018151 [0,1,0,0,0,1|1,0,1]=4 199 B11R1.86 FC(F)OC1=CC=CC=C1I CS-W021254 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.86 O=C(O)CC1=CC=CC=C1F CS-W020118 [0,1,0,0,0,1|1,0,1]=4 201 B11R1.157 CC1=CC(CC(=O)O)=CC=C1 CS-0046111 [0,1,0,0,0,1|1,0,1]=4 202 B11R1.157 NC1=CC(OC(F)F)=CC=C1 CS-W008180 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS-W004766 [0,1,0,0,0,1|1,0,1]=4 204 B11R1.157 OC1=CC(OC(F)F)=CC=C1 CS-W021774 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0015806 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CS-0019417 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 CS-W007533 [0,2,0,0,0,0|1,0,1]=4 208 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 CS-W023080 [0,2,0,0,0,0|0,0,2]=4 209 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 CS-0101890 [0,2,0,0,0,0|0,0,2]=4 210 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS-W018163 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 CS-0029513 [0,2,0,0,0,0|1,0,1]=4 212 B11R1.3 COC1=CC=C(C(C)N)C=C1 CS-0094463 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 CS-0030800 [0,2,0,0,0,0|0,0,0]=2 214 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 CS-W009113 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W015985 [0,2,0,0,0,0|1,0,1]=4 216 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS-W018100 [0,2,0,0,0,0|1,0,1]=4 217 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 CS-W009126 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-W008782 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS-B0933 [0,2,0,0,0,0|1,0,1]=4 220 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 CS-W019629 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 CS-0016006 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.19 O=S(=O)(O)C1=CC=C(O)C=C1 CS-W017509 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 CS-W008221 [0,2,0,0,0,0|0,0,2]=4 224 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS-W015973 [0,2,0,0,0,0|0,0,2]=4 225 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS-W007765 [0,2,0,0,0,0|0,0,2]=4 226 B11R1.21 CC(=O)C1=CC=C(F)C(C)=C1 CS-W018095 [0,2,0,0,0,0|0,0,2]=4 227 B11R1.21 CC(=O)C1=CC=C(N)C(F)=C1 CS-W019521 [0,2,0,0,0,0|0,0,2]=4 228 B11R1.21 CC1=C(Cl)C=C([C@@H](C)N)C=C1 CS-0032912 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.21 CC1=CC(C(=O)O)=CC=C1F CS-W007680 [0,2,0,0,0,0|1,0,1]=4 230 B11R1.21 CC1=CC(C(=O)O)=CC=C1I CS-0099438 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.21 CC1=CC=C(B(O)O)C=C1C CS-D1027 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.21 CC1=CC=C(C(=O)O)C=C1O CS-0008323 [0,2,0,0,0,0|1,0,1]=4 233 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 CS-W008472 [0,2,0,0,0,0|1,0,1]=4 234 B11R1.21 NC1=CC(C(=O)O)=CC=C1Cl CS-W021834 [0,2,0,0,0,0|1,0,1]=4 235 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS-W019483 [0,2,0,0,0,0|1,0,1]=4 236 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS-W004834 [0,2,0,0,0,0|1,0,1]=4 237 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS-W015855 [0,2,0,0,0,0|1,0,1]=4 238 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 CS-W012258 [0,2,0,0,0,0|1,0,1]=4 239 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 CS-W008636 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 CS-W018495 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 CS-W005080 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.21 OB(O)C1=CC=C(F)C(F)=C1 CS-D1003 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [0,2,0,0,0,0|0,0,2]=4 244 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS-0059258 [0,2,0,0,0,0|0,0,2]=4 245 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 CS-W018773 [0,2,0,0,0,0|0,0,2]=4 246 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [0,2,0,0,0,0|0,0,2]=4 247 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [0,2,0,0,0,0|0,0,2]=4 248 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 CS-0028246 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 CS-W016334 [0,2,0,0,0,0|0,0,2]=4 250 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS-M1008 [0,2,0,0,0,0|0,0,2]=4 251 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 CS-W018050 [0,2,0,0,0,0|0,0,2]=4 252 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F CS-0094504 [0,2,0,0,0,0|0,0,2]=4 253 B11R1.166 CC(=O)C1=CC=C(O)C=C1C CS-W010970 [0,2,0,0,0,0|0,0,2]=4 254 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O CS-W004863 [0,2,0,0,0,0|1,0,1]=4 255 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 CS-W007777 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.166 CC1=CC(N)=C(C(=N)O)C=C1 CS-W005470 [0,2,0,0,0,0|1,0,1]=4 257 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS-W004921 [0,2,0,0,0,0|1,0,1]=4 258 B11R1.166 CC1=CC(O)=CC=C1C(=O)O CS-W016305 [0,2,0,0,0,0|1,0,1]=4 259 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 CS-0041338 [0,2,0,0,0,0|1,0,1]=4 260 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 CS-W009192 [0,2,0,0,0,0|1,0,1]=4 261 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS-W019810 [0,2,0,0,0,0|1,0,1]=4 262 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS-W013226 [0,2,0,0,0,0|1,0,1]=4 263 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 CS-W017485 [0,2,0,0,0,0|1,0,1]=4 264 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS-W008018 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O CS-W008739 [0,2,0,0,0,0|1,0,1]=4 266 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br CS-W019733 [0,2,0,0,0,0|1,0,1]=4 267 B11R1.166 OB(O)C1=CC=C(F)C=C1F CS-D1002 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [0,2,0,0,0,0|0,0,0]=2 269 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [0,2,0,0,0,0|0,0,0]=2 270 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS-W004658 [0,2,0,0,0,0|0,0,2]=4 271 B11R1.16 [C@H](O)(CCCl)C1=CC=CC=C1 CS-W017667 [0,2,0,0,0,0|0,0,0]=2 272 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS-W005465 [0,2,0,0,0,0|0,0,2]=4 273 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 CS-W021159 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 CS-W014906 [0,2,0,0,0,0|0,0,2]=4 275 B11R1.222 COC(=O)C1=CC=CC=C1N CS-W019645 [0,2,0,0,0,0|0,0,2]=4 276 B11R1.87 CS(=O)(=O)C1=CC=CC=C1N CS-0046179 [0,2,0,0,0,0|1,0,1]=4 277 B11R1.155 CC(C)(C)C1=CC(O)=CC=C1 CS-0015724 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=C1 CS-0044122 [0,2,0,0,0,0|1,0,1]=4 279 B11R1.156 CC(=O)C1=C(C)C=CC=C1O CS-W021205 [0,2,0,0,0,0|0,0,2]=4 280 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl CS-W008361 [0,2,0,0,0,0|0,0,2]=4 281 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F CS-0043763 [0,2,0,0,0,0|0,0,2]=4 282 B11R1.156 CC(=O)C1=C(O)C=CC=C1Cl CS-W019885 [0,2,0,0,0,0|0,0,2]=4 283 B11R1.156 CC1=C(B(O)O)C(F)=CC=C1 CS-0107586 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.156 CC1=CC=CC(C)=C1C(=O)O CS-W017744 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.156 O=C(O)C1=C(F)C=CC=C1F CS-M0554 [0,2,0,0,0,0|1,0,1]=4 286 B11R1.156 OB(O)C1=C(Cl)C=CC=C1F CS-W008070 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.156 OB(O)C1=C(F)C=CC=C1F CS-W009261 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1F CS-W017577 [0,2,0,0,0,0|0,0,2]=4 289 B11R1.159 CC1=C(Br)C(C(=O)O)=CC=C1 CS-W007601 [0,2,0,0,0,0|1,0,1]=4 290 B11R1.159 CC1=C(F)C=CC=C1C(=O)O CS-W009095 [0,2,0,0,0,0|1,0,1]=4 291 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 CS-W018348 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS-M0913 [0,2,0,0,0,0|1,0,1]=4 293 B11R1.159 CC1=CC=CC(C(C)C)=C1N CS-W020539 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 CS-W005002 [0,2,0,0,0,0|1,0,1]=4 295 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 CS-W017482 [0,2,0,0,0,0|1,0,1]=4 296 B11R1.159 OB(O)C1=C(F)C(Cl)=CC=C1 CS-W017487 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 CS-0041764 [0,2,0,0,0,0|0,0,2]=4 298 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS-D0882 [0,2,0,0,0,0|0,0,2]=4 299 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 CS-0028281 [0,2,0,0,0,0|0,0,2]=4 300 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS-W004713 [0,2,0,0,0,0|0,0,2]=4 301 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS-W007851 [0,2,0,0,0,0|0,0,2]=4 302 B11R1.167 CC(=O)C1=CC(F)=CC=C1Br CS-0019646 [0,2,0,0,0,0|0,0,2]=4 303 B11R1.167 CC(O)C1=C(Cl)C=CC(Cl)=C1 CS-W010736 [0,2,0,0,0,0|0,0,0]=2 304 B11R1.167 CC1=CC(B(O)O)=C(F)C=C1 CS-W018064 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS-W018147 [0,2,0,0,0,0|1,0,1]=4 306 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS-W008213 [0,2,0,0,0,0|1,0,1]=4 307 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS-W002036 [0,2,0,0,0,0|1,0,1]=4 308 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O CS-W020714 [0,2,0,0,0,0|1,0,1]=4 309 B11R1.167 CC1=CC=C(F)C=C1B(O)O CS-0007620 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.167 CC1=CC=C(F)C=C1C(=O)O CS-W020687 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.167 N=C(O)C1=C(N)C=CC(F)=C1 CS-W005552 [0,2,0,0,0,0|1,0,1]=4 312 B11R1.167 NC1=CC=C(Cl)C=C1C(=O)O CS-W020077 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.167 NC1=CC=C(F)C=C1C(=O)O CS-W019755 [0,2,0,0,0,0|1,0,1]=4 314 B11R1.167 NC1=CC=C(O)C=C1C(=O)O CS-W002035 [0,2,0,0,0,0|1,0,1]=4 315 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 CS-W013225 [0,2,0,0,0,0|1,0,1]=4 316 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 CS-W007855 [0,2,0,0,0,0|1,0,1]=4 317 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 CS-W018013 [0,2,0,0,0,0|1,0,1]=4 318 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 CS-W008197 [0,2,0,0,0,0|1,0,1]=4 319 B11R1.167 O=C(O)C1=CC(I)=CC=C1O CS-0075700 [0,2,0,0,0,0|1,0,1]=4 320 B11R1.167 O=C(O)C1=CC(O)=CC=C1Br CS-W018588 [0,2,0,0,0,0|1,0,1]=4 321 B11R1.167 OB(O)C1=CC(Br)=CC=C1F CS-W014778 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS-W007965 [0,2,0,0,0,0|0,0,2]=4 323 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS-W004982 [0,2,0,0,0,0|0,0,2]=4 324 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 CS-0082526 [0,2,0,0,0,0|0,0,2]=4 325 B11R1.74 CC1=CC(B(O)O)=CC(F)=C1 CS-W018065 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS-W014908 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 CS-W014828 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 CS-D1400 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 CS-W005808 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 CS-0028256 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 CS-W005392 [0,2,0,0,0,0|1,0,1]=4 332 B11R1.266 CCC1=CC(B(O)O)=CC=C1 CS-W005541 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 CS-W010791 [0,2,0,0,0,0|1,0,1]=4 334 B11R1.266 NCC1=CC(C(=O)O)=CC=C1 CS-W001871 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.266 OCC1=CC(B(O)O)=CC=C1 CS-W007418 [0,2,0,0,0,0|2,0,0]=4 336 B11R2.10 CC1=CC2=CC=CC=C2N1 CS-W007556 [0,0,0,1,0,1|1,0,1]=4 337 B11R2.10 CC1=NC2=CC=CC=C2O1 CS-0095153 [0,0,0,1,0,1|0,0,1]=3 338 B11R2.10 CC1=NC2=CC=CC=C2S1 CS-W009170 [0,0,0,1,0,1|0,1,1]=4 339 B11R2.10 ClC1=NC2=CC=CC=C2O1 CS-0030558 [0,0,0,1,0,1|1,0,1]=4 340 B11R2.10 O=C1CC2=C(C=CC=C2)C1 CS-W020518 [0,0,0,1,0,1|0,0,2]=4 341 B11R2.34 FC1=CC=C(C2CO2)C=C1 CS-0063809 [0,1,0,1,0,0|0,0,0]=2 342 B11R2.1 NC1=NCC2=C1C=CC=C2 CS-0102029 [0,1,0,1,0,0|1,0,1]=4 343 B11R2.1 N[C@H]1CCC2=CC=CC=C21 CS-M1707 [0,1,0,1,0,0|1,0,0]=3 344 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [0,1,0,1,0,0|0,0,0]=2 345 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0486 [0,1,0,1,0,0|1,0,0]=3 346 B11R2.35 ClC1=NC=CC(C2CC2)=C1 CS-0044725 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.1 CCC1=NC=CN1 CS-W013728 [1,0,0,0,1,0|2,0,0]=4 348 B7R1.1 CCN1C=CN=C1 CS-W011340 [1,0,0,0,1,0|2,0,0]=4 349 B7R1.1 NCC1=CSC=C1 CS-0063211 [1,0,0,0,1,0|2,0,0]=4 350 B7R1.1 OCC1=CC=CS1 CS-0022380 [1,0,0,0,1,0|1,0,0]=3 351 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [0,0,0,0,0,2|0,0,2]=4 352 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [0,0,0,0,0,2|1,0,1]=4 353 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [0,0,0,0,0,2|1,0,1]=4