0 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)NC(C)C S378992 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,0,0|2,1,0]=3 3 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,0,0|1,2,0]=3 4 B6R0.2 CC(C)OC(=S)N PH008713 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 N=C(N)CC(=N)N S262242 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.2 N=C(N)NC(=O)N S414786 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.2 N=C(N)NC(=O)N S414980 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,0,0|2,1,0]=3 9 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 CC(=O)CCN OTV000740 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CCNC(=N)N PH018983 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCOC(=S)N PH003667 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCOC(=S)[S-] R464988 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCOC(=S)[S-] R533475 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 COCC(=N)N CBR01671 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 CSCC(=N)N OTV000870 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 NCCC(=O)N CDS000027 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|3,0,0]=4 27 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,1,0,0,0,0|1,1,1]=4 28 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|0,1,0]=2 30 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|2,1,0]=4 32 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|2,1,0]=4 33 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|0,1,0]=2 34 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|0,0,2]=3 36 B7R0.2 CSC(=S)NC(=S)N PH008773 [0,1,0,0,0,0|0,1,0]=2 37 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,1,0,0,0,0|0,1,0]=2 38 B7R0.9 CC(C)(C)NC(=S)N PH011066 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.9 CS(=O)(=O)CC(=O)N S614475 [0,1,0,0,0,0|2,1,0]=4 40 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,0,0,0,0|1,1,0]=3 42 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.2 CC1=NN=C(O1)N PH010741 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 CC1CNC(=S)S1 S920002 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 N=C1NC(=S)SS1 S64662 [0,0,0,1,0,0|2,1,0]=4 51 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,1,0,0|3,0,0]=4 53 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,0,0,1,0|2,0,0]=3 54 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,0,0,1,0|2,1,0]=4 55 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,0,0,1,0|2,1,0]=4 56 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,0,0,1,0|2,1,0]=4 57 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,0,0,1,0|2,0,1]=4 58 B5R0.5 CC(=S)N(C)C S622877 [0,0,0,0,1,0|3,0,0]=4 59 B5R0.5 CC(C)C(=N)N CDS015019 [0,0,0,0,1,0|2,0,1]=4 60 B5R0.5 CC(C)C(=S)N PH006913 [0,0,0,0,1,0|1,0,1]=3 61 B5R0.5 O=C(O)C(=O)O S647829 [0,0,0,0,1,0|2,1,0]=4 62 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,0,0,0,0,1|2,1,0]=4 63 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,1|2,1,0]=4 64 B7R0.6 C=C(C)CSC(=N)N PH012545 [0,0,0,0,0,1|3,0,0]=4 65 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,0,0,0,0,1|3,0,0]=4 66 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,1|1,1,0]=3 67 B7R0.6 NC(=O)NCC(=O)O L100056 [0,0,0,0,0,1|1,1,0]=3 68 B7R0.6 NC(=O)NNC(=O)N S371467 [0,0,0,0,0,1|1,1,0]=3 69 B7R0.6 NC(=S)NCC(=O)O S521191 [0,0,0,0,0,1|1,0,0]=2 70 B7R0.6 NC(=S)NNC(=S)[S-] R278416 [0,0,0,0,0,1|1,1,0]=3 71 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|1,1,0]=4 72 B4R0.1 C=C(C)CN CDS003053 [2,0,0,0,0,0|1,0,1]=4 73 B4R0.1 CC(=O)CN CDS020585 [2,0,0,0,0,0|0,0,1]=3 74 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CCC(=N)N CBR01339 [2,0,0,0,0,0|1,0,1]=4 77 B4R0.1 CCC(=S)N CDS000328 [2,0,0,0,0,0|0,0,1]=3 78 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.1 CCNC(=O)CBr CBR01984 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.1 CCNC(=O)CCl TMT00299 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,1,0,0,0,0|1,1,0]=4 85 B6R0.4 C=CCNC(=N)N S815497 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.4 C=CCNC(=O)C EME00415 [1,1,0,0,0,0|1,0,0]=3 87 B6R0.4 C=CCOC(=S)N PH008714 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(=O)NCCCl CDS001220 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.4 CCCNC(=N)N L254797 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.4 CCNCC(=O)N S877379 [1,1,0,0,0,0|0,1,1]=4 92 B6R0.4 CCNCC(=O)N S986194 [1,1,0,0,0,0|0,1,1]=4 93 B6R0.4 NC(=O)NCCCl CDS000493 [1,1,0,0,0,0|0,1,1]=4 94 B6R0.4 NCCNC(=S)S S357634 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.9 BC(=O)NCC(=O)OC R277398 [0,1,0,0,0,1|1,1,0]=4 96 B8R0.9 C=C(C)CNC(=O)CCl PH008781 [0,1,0,0,0,1|2,0,0]=4 97 B8R0.9 C=C(C)CNC(=S)NC R750247 [0,1,0,0,0,1|1,0,0]=3 98 B8R0.9 CCC(=O)NC=C(Cl)Cl S196908 [0,1,0,0,0,1|2,0,0]=4 99 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,1|0,1,0]=3 100 B8R0.9 COC(=O)CNC(=O)C S785687 [0,1,0,0,0,1|1,1,0]=4 101 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,1,0,0,0,1|1,1,0]=4 102 B8R0.9 CSC(=S)NNC(=O)C S986798 [0,1,0,0,0,1|1,0,0]=3 103 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,1,0,0,0,1|1,1,0]=4 104 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,1,0,0,0,1|1,1,0]=4 105 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [0,1,0,0,0,1|0,1,0]=3 106 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [0,1,0,0,0,1|1,1,0]=4 107 B8R0.23 CC(=O)ON(C)C(=O)C S295159 [0,1,0,0,0,1|1,1,0]=4 108 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|1,1,0]=4 109 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,2,0,0,0,0|1,1,0]=4 111 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.2 NC1=NN=CN1 CDS019982 [1,0,0,1,0,0|2,0,0]=4 114 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,1,0,0|0,1,1]=4 116 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.11 NC(=S)C1CC1 PH011536 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,1,0|1,1,0]=4 119 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,1|2,0,0]=4 120 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,0,0,1,0,1|1,0,1]=4 121 B8R1.3 N1CN(CNC1=S)C S513881 [0,0,0,1,0,1|2,0,0]=4 122 B8R1.3 N[C@H]1CCC(=O)NC1 CDS013956 [0,0,0,1,0,1|1,0,1]=4 123 B8R1.3 S=C1CNC(=S)CN1 L163740 [0,0,0,1,0,1|0,1,0]=3 124 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,0,0,1,0,1|1,0,1]=4 125 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.1 NCC1=NNC(=O)N1 CBR02276 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.1 NC[C@H]1CCC(=O)N1 CDS019095 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.4 NC1=NC(=O)CCS1 PH012053 [0,1,0,1,0,0|0,0,2]=4 130 B8R1.4 O=C1CNCC(=O)N1 CDS019497 [0,1,0,1,0,0|0,1,0]=3 131 B8R1.4 O=C1CSCC(=O)N1 R305316 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.4 O=C1NCNC(=O)N1 S347531 [0,1,0,1,0,0|0,1,0]=3 133 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,1,0,0|1,1,0]=4 134 B8R1.18 CC1SC(=NC1=O)N PH008402 [0,1,0,1,0,0|0,0,2]=4 135 B8R1.18 CN1N=C(NC1=O)Br CDS021279 [0,1,0,1,0,0|1,0,1]=4 136 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [0,1,0,1,0,0|0,1,0]=3 137 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,1,0,1,0,0|0,0,1]=3 138 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,0,0,0,0,2|1,1,0]=4 139 B8R0.28 CC(=O)NCNC(=O)C PH003004 [0,0,0,0,0,2|1,1,0]=4 140 B8R0.28 NC(=S)SCCC(=O)O S347884 [0,0,0,0,0,2|2,0,0]=4 141 B3R0.2 CC(=O)O R252506 [3,0,0,0,0,0|0,1,0]=4 142 B3R0.2 CC(=O)O R252999 [3,0,0,0,0,0|0,1,0]=4 143 B5R0.3 CNC(=O)CCl OTV000964 [2,1,0,0,0,0|0,0,1]=4 144 B5R0.3 CNC(=O)NN CDS019843 [2,1,0,0,0,0|0,0,0]=3 145 B5R0.3 CSC(=S)NN PH008635 [2,1,0,0,0,0|0,1,0]=4 146 B7R0.3 CCCNC(=S)NC S512176 [1,2,0,0,0,0|0,0,1]=4 147 B7R0.5 CC(=O)N(C)CCN PH019599 [1,2,0,0,0,0|0,0,1]=4 148 B7R0.4 CCCCNC(=S)N S565970 [1,2,0,0,0,0|0,0,1]=4 149 B9R0.24 CNC(=O)NNC(=O)NC PH007224 [0,2,0,0,0,1|0,1,0]=4 150 B9R0.24 COC(=O)CNC(=O)CN R701602 [0,2,0,0,0,1|0,1,0]=4 151 B9R0.39 CC(=O)NC(CO)C(=O)N S784052 [0,2,0,0,0,1|0,1,0]=4 152 B9R0.39 CC(=O)NC(CO)C(=O)N S787175 [0,2,0,0,0,1|0,1,0]=4 153 B9R0.34 CCNC(=O)NC(=O)CCl R238694 [0,3,0,0,0,0|0,1,0]=4 154 B7R1.3 O=C1CSC=CN1 OTV000696 [1,1,0,1,0,0|0,0,1]=4 155 B9R1.35 CC1=NC(=CN1)C(=S)N CDS014746 [0,0,0,1,0,2|1,0,0]=4 156 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,1,0,1,0,1|0,0,0]=3 157 B9R1.69 CN1CC(=O)NCC1=O PH008413 [0,1,0,1,0,1|0,1,0]=4 158 B9R1.3 CN1C(=O)CNCC1=O CDS024599 [0,2,0,1,0,0|0,1,0]=4 159 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [0,2,0,1,0,0|0,1,0]=4 160 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [0,2,0,1,0,0|0,0,0]=3 161 B9R1.37 CN1CC(=O)N(C1=S)C S986208 [0,2,0,1,0,0|0,0,0]=3 162 B9R1.37 O=C1CN(C(=O)N1Br)Br T308021 [0,2,0,1,0,0|0,1,0]=4 163 B9R1.41 CC(=O)N1CCNC1=O R593206 [0,2,0,1,0,0|0,1,0]=4 164 B9R1.41 NC(=O)N1CCCC1=O R100803 [0,2,0,1,0,0|0,1,0]=4 165 B9R1.22 CNC1CC(=O)NC1=O PH018276 [0,2,0,1,0,0|0,1,0]=4 166 B9R1.22 O=C1NC(=O)[C@@H](N1)CO PH011479 [0,2,0,1,0,0|0,1,0]=4 167 B9R1.34 N1C(=O)NC(=O)CC1C S533564 [0,2,0,1,0,0|0,1,0]=4 168 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,2,0,1,0,0|0,1,0]=4 169 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,2,0,1,0,0|0,0,1]=4 170 B9R1.34 O=C1CC(=O)NC(=S)[N-]1 S564508 [0,2,0,1,0,0|0,0,1]=4 171 B9R1.27 CCN1C(=O)CSC1=S PH009981 [0,2,0,1,0,0|1,0,0]=4