0 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CN=CN1 CS-W005870 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 CC(=O)C1=CSC=C1 CS-W007361 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=NC=CS1 CS-W008970 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.7 CC(N)C1=NC=CS1 CS-W008693 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 NC(=O)C1=NNC=C1 CS-W006006 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.7 O=C(O)C1=CN=CO1 CS-W007534 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 O=[N+]([O-])C1=CN=CN1 CS-W019995 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 OB(O)C1=NC=CN1 CS-W018609 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 C#CC1=CC=CS1 CS-W011286 [1,0,0,0,0,0|1,0,2]=4 12 B7R1.1 CCC1=NC=CN1 CS-W013728 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 CNC1=NC=CS1 CS-W006616 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 O=CC1=CC=CS1 CS-W013657 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 O=CC1=NC=CO1 CS-W006539 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.1 OCC1=CC=CS1 CS-0022380 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.11 COC(=O)C1=CSC=C1 CS-W007570 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.11 NNC(=O)C1=CC=CO1 CS-M1764 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.35 CC(=O)C1=CC=C(Br)S1 CS-W015388 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.35 CC(=O)C1=CC=C(C)S1 CS-W002097 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.35 CC1=CN=C(C(=O)O)S1 CS-0030600 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.35 CC1=CSC(C(=O)O)=C1 CS-0036630 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 CS-W011149 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.35 NC1=NC=C(C(=O)O)S1 CS-W003268 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS-D0459 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS-M1254 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS-W019291 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.35 O=C(O)C1=NC=C(Br)S1 CS-W022341 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.35 O=C(O)C1=NN=C(Br)N1 CS-0019283 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 CC(=O)C1=NC=CN1C CS-W005322 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.41 CC1=C(C(=O)O)C=CN1 CS-0038738 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.41 CN1C=NC=C1[N+](=O)[O-] CS-W002392 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.41 CN1N=CC=C1C(=O)O CS-D1713 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.41 NC(=O)C1=C(N)SC=C1 CS-W004718 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.41 NC(=O)C1=CC=CN1N CS-D0845 [0,1,0,0,0,0|1,0,0]=2 38 B9R1.41 O=C(O)C1=C(Br)SC=N1 CS-W022342 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.41 O=C(O)C1=C(Cl)C=CS1 CS-0043862 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.41 O=C(O)C1=CSC=C1Br CS-D0118 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.41 O=C(O)C1=NNC=C1I CS-0018758 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [0,0,1,0,0,0|1,0,2]=4 43 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [0,0,0,0,0,1|0,0,1]=2 44 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.6 CC(N)C1=NC=CN=C1 CS-B0644 [0,0,0,0,0,1|1,0,2]=4 46 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [0,0,0,0,0,1|2,0,0]=3 48 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [0,0,0,0,0,1|1,0,2]=4 49 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [0,0,0,0,0,1|2,0,1]=4 50 B9R1.6 N=C(N)C1=CC=NC=C1 CS-0094490 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.6 O=C(O)C1=NC=CC=N1 CS-D0763 [0,0,0,0,0,1|1,0,1]=3 52 B9R1.6 O=C(O)C1=NN=CC=C1 CS-W004823 [0,0,0,0,0,1|1,0,1]=3 53 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [0,0,0,0,0,1|3,0,0]=4 54 B9R1.13 O=C(O)CC1=NNC=C1 CS-D0036 [0,0,0,0,0,1|2,0,1]=4 55 B6R1.2 BrC1=CC=CS1 CS-W020109 [2,0,0,0,0,0|2,0,0]=4 56 B6R1.2 CC1=CN=CN1 CS-D1459 [2,0,0,0,0,0|1,0,0]=3 57 B6R1.2 CC1=CNC=C1 CS-W016682 [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 CC1=NC=CN1 CS-W019983 [2,0,0,0,0,0|1,0,0]=3 59 B6R1.2 IC1=CC=CS1 CS-W007589 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.1 CC1=NC(C=O)=CO1 CS-W008275 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.1 CC1=NC=C(C=O)S1 CS-W019857 [1,1,0,0,0,0|2,0,0]=4 62 B8R1.1 CCC1=CC(=N)NN1 CS-W016620 [1,1,0,0,0,0|1,0,1]=4 63 B8R1.1 CN1C=CC(C=O)=N1 CS-W004820 [1,1,0,0,0,0|1,0,1]=4 64 B8R1.1 O=CC1=CC(Br)=CN1 CS-W020675 [1,1,0,0,0,0|0,0,0]=2 65 B8R1.1 O=CC1=CC(Br)=NO1 CS-W021887 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.1 O=CC1=CC=C(Br)N1 CS-W005750 [1,1,0,0,0,0|0,0,0]=2 67 B8R1.1 O=CC1=CC=C(Br)S1 CS-W008646 [1,1,0,0,0,0|1,0,0]=3 68 B8R1.1 O=CC1=CN=C(Br)S1 CS-W019735 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.11 CN1C=NC=C1C=O CS-W011279 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.11 CN1N=CC=C1C=O CS-W007487 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [0,1,0,0,0,1|1,0,0]=3 72 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [0,1,0,0,0,1|1,0,0]=3 73 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [0,1,0,0,0,1|1,0,0]=3 74 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS-0042572 [0,1,0,0,0,1|0,0,1]=3 75 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-D1603 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS-W022418 [0,1,0,0,0,1|1,0,1]=4 77 B10R1.13 N=C1C=CC(C(=O)O)=CN1 CS-W016509 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS-D0614 [0,1,0,0,0,1|1,0,1]=4 81 B10R1.13 NC1=NC=C(C(=O)O)N=C1 CS-W019175 [0,1,0,0,0,1|1,0,1]=4 82 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 O=C(O)C1=NN=C(O)C=C1 CS-W005425 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,1,0,0,0,1|1,0,0]=3 86 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [0,1,0,0,0,1|0,0,1]=3 87 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [0,1,0,0,0,1|1,0,0]=3 88 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [0,1,0,0,0,1|1,0,0]=3 90 B10R1.61 CC(=O)C1=CC=CN=C1N CS-0002197 [0,1,0,0,0,1|0,0,1]=3 91 B10R1.61 CC(=O)C1=NC=CC=C1F CS-W021536 [0,1,0,0,0,1|0,0,1]=3 92 B10R1.61 NC(=O)C1=CC=CC=C1Br CS-0038446 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS-D0792 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 CS-D1685 [0,1,0,0,0,1|1,0,1]=4 96 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS-W017965 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.61 O=C(O)C1=CC=CN=C1F CS-D0952 [0,1,0,0,0,1|1,0,1]=4 99 B10R1.61 O=C(O)C1=CC=CNC1=S CS-W020029 [0,1,0,0,0,1|1,0,0]=3 100 B10R1.61 O=C(O)C1=NC=CC=C1F CS-D1556 [0,1,0,0,0,1|1,0,1]=4 101 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] CS-W007868 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.113 CC(=O)C1=CC(F)=CN=C1 CS-0046260 [0,1,0,0,0,1|0,0,1]=3 103 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [0,1,0,0,0,1|1,0,0]=3 104 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [0,1,0,0,0,1|1,0,0]=3 105 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [0,1,0,0,0,1|1,0,0]=3 107 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CS-W013352 [0,1,0,0,0,1|0,0,1]=3 108 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 CS-W021882 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.113 NC1=CC(C(=O)O)=CC=C1 CS-W019987 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.113 NC1=NC=CC(C(=O)O)=N1 CS-W021582 [0,1,0,0,0,1|1,0,1]=4 111 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 CS-W020058 [0,1,0,0,0,1|1,0,1]=4 112 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS-W016469 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 CS-W019787 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS-W019850 [0,1,0,0,0,1|1,0,1]=4 115 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS-W004860 [0,1,0,0,0,1|1,0,1]=4 116 B10R1.11 CCOC(=O)C1=CC=NO1 CS-0044017 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.11 CCOC(=O)C1=CN=CS1 CS-W005172 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.11 CCOC(=O)C1=COC=N1 CS-D0848 [0,2,0,0,0,0|1,0,1]=4 119 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS-M2917 [0,2,0,0,0,0|1,0,0]=3 120 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS-M2941 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS-D1612 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS-0038286 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS-D0850 [0,2,0,0,0,0|1,0,1]=4 124 B10R1.14 COC(=O)C1=NN(C)C=C1 CS-0044505 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.14 COC(=O)C1=NNC(C)=C1 CS-W008500 [0,2,0,0,0,0|1,0,1]=4 126 B10R1.149 COC(=O)C1=C(N)C=CO1 CS-D0284 [0,2,0,0,0,0|1,0,0]=3 127 B10R1.149 COC(=O)C1=C(N)C=CS1 CS-W020059 [0,2,0,0,0,0|1,0,0]=3 128 B10R1.149 COC(=O)C1=C(N)N=CS1 CS-D1071 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.149 COC(=O)C1=C(N)NC=N1 CS-0043656 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.149 COC(=O)C1=C(O)C=CS1 CS-M0427 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.149 COC(=O)C1=CC=NN1C CS-0037113 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.149 COC(=O)C1=NNC=C1I CS-0035752 [0,2,0,0,0,0|1,0,1]=4 133 B10R1.31 N#CC1=CSC(C(=O)O)=C1 CS-0101116 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.31 O=CC1=CC=C(C(=O)O)S1 CS-0017900 [0,2,0,0,0,0|2,0,0]=4 135 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 CS-0111813 [0,2,0,0,0,0|1,0,0]=3 136 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 CS-0097780 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 CS-W017739 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CS-D0830 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.192 CN1N=CC(I)=C1C(=O)O CS-W019493 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.4 CC1=CC=CC(N)=N1 CS-W018543 [0,0,1,1,0,0|1,0,0]=3 141 B8R1.4 CC1=NC=CC(N)=C1 CS-D0974 [0,0,1,1,0,0|2,0,0]=4 142 B8R1.4 NC1=NC(Br)=CC=C1 CS-D1448 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.4 O=C1C=CC=C(Cl)N1 CS-0030552 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.5 CC1=C(N)C=CN=C1 CS-D0975 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.5 CC1=C(N)C=NC=C1 CS-D0914 [0,0,1,1,0,0|2,0,0]=4 146 B8R1.5 NC1=CC=CN=C1Cl CS-W019980 [0,0,1,1,0,0|2,0,0]=4 147 B8R1.5 NC1=CC=CN=C1I CS-W019772 [0,0,1,1,0,0|2,0,0]=4 148 B8R1.5 NC1=CC=CNC1=O CS-W004662 [0,0,1,1,0,0|1,0,0]=3 149 B8R1.5 NC1=CC=CNC1=S CS-B0792 [0,0,1,1,0,0|1,1,0]=4 150 B8R1.5 O=C1NC=CC=C1O CS-W009004 [0,0,1,1,0,0|2,0,0]=4 151 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [1,0,0,0,0,1|0,0,2]=4 152 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [1,0,0,0,0,1|1,0,1]=4 153 B8R1.2 CNC1=CN=CC=N1 CS-0038033 [1,0,0,0,0,1|1,0,1]=4 154 B8R1.2 COC1=CN=CC=C1 CS-W008119 [1,0,0,0,0,1|1,0,1]=4 155 B8R1.2 COC1=CN=CC=N1 CS-W011278 [1,0,0,0,0,1|1,0,1]=4 156 B8R1.2 CSC1=CN=CC=N1 CS-W011155 [1,0,0,0,0,1|1,0,1]=4 157 B8R1.2 N\N=C1\C=NC=CN1 CS-M3641 [1,0,0,0,0,1|2,0,0]=4 158 B8R1.2 O=CC1=CC=CN=C1 CS-D1122 [1,0,0,0,0,1|0,0,1]=3 159 B8R1.2 O=CC1=NC=NC=C1 CS-W004778 [1,0,0,0,0,1|0,0,1]=3