0 B8R1.18 CC1=C(C)OC(S)=N1 V7193 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=CC(S)=C(C)O1 U424 [0,0,0,0,0,0|0,1,1]=2 2 B8R1.18 CC1=CN(C)C(Br)=N1 Y8377 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.18 CC1=NC(C)=C(Br)O1 3116AJ [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CC1=NN(C)C(Br)=N1 5749AE [0,0,0,0,0,0|4,0,0]=4 5 B8R1.18 CN1N=C(N)C=C1Br 4711AC [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 BrC1=CC=C(Br)O1 Z5509 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 CC1=CC(N)=CS1 Z4474 [1,0,0,0,0,0|1,1,1]=4 8 B7R1.2 CC1=CC=C(Cl)S1 8881AA [1,0,0,0,0,0|1,1,1]=4 9 B7R1.2 CC1=CC=C(N)S1 5777AB [1,0,0,0,0,0|1,1,1]=4 10 B7R1.2 CC1=CN(C)C=N1 9650AB [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=CN=C(N)O1 X6056 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 CC1=COC(C)=N1 5323AL [1,0,0,0,0,0|2,0,1]=4 13 B7R1.2 CC1=CSC(Br)=C1 7530AB [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 CC1=CSC(N)=C1 5740AC [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 CC1=NC(Br)=NO1 2584AD [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 CC1=NN(C)N=C1 8968AB [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1=NN=C(C)O1 Z4081 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.2 CC1=NNC(I)=C1 Y2583 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.2 CC1=NOC(=O)C1 0252AQ [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 CC1=NSC(Br)=C1 0520AB [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CC1=NSC(I)=C1 6767AD [1,0,0,0,0,0|3,0,0]=4 22 B7R1.2 CC1=NSC(N)=C1 1797AB [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 CN1CCC(=O)C1 B871 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.2 C[C@@H]1COC(=O)O1 P610 [1,0,0,0,0,0|2,0,1]=4 25 B7R1.2 NC1=CC(=O)CC1 2359AL [1,0,0,0,0,0|2,0,0]=3 26 B7R1.2 NC1=CC(=O)NO1 2723AC [1,0,0,0,0,0|2,0,0]=3 27 B7R1.2 O=C1C=C(Br)CO1 V6658 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.2 O=C1C=C(O)CC1 6113AE [1,0,0,0,0,0|2,0,0]=3 29 B7R1.2 O=C1C=C(O)CN1 6921AB [1,0,0,0,0,0|2,0,1]=4 30 B7R1.2 O=C1C=CC(O)O1 2926AL [1,0,0,0,0,0|2,0,0]=3 31 B7R1.2 O=C1CNC(=O)C1 X3858 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,0,0,0,0,0|1,0,1]=3 33 B7R1.4 CC1=C(C)OC=N1 X5138 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.4 CC1C=NNC1=O 1336AQ [1,0,0,0,0,0|3,0,0]=4 35 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.4 CN1SC=CC1=O P432 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.22 CC1=C(C=O)N=C(Br)O1 1615AJ [0,1,0,0,0,0|2,0,1]=4 38 B9R1.22 CC1=CC(CN)=C(C)O1 Y8624 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.22 CC1=NC(C)=C(C=O)O1 0653AC [0,1,0,0,0,0|2,0,1]=4 40 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,1,0,0,0,0|2,0,1]=4 41 B9R1.22 CC1=NC(C=O)=C(C)N1 0528AC [0,1,0,0,0,0|2,0,1]=4 42 B9R1.22 CC1=NC(CCl)=C(C)O1 Y4075 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.22 CC1=NN(C)C(C=O)=C1 W4824 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.22 CC1=NN(C)C(CBr)=C1 Z2962 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.22 CC1=NN(C)C(CN)=C1 Y5453 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.22 CC1C=C(CN)N(C)O1 Y4551 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.23 CC1=C(C)OC(C=O)=C1 Y9335 [0,1,0,0,0,0|1,0,2]=4 48 B9R1.23 CC1=CC(CN)=NN1C Y9079 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.23 CNC1=NN(C)C(C)=C1 Z3296 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.37 CC1=C(C)C(C)=C(C)C1 5861AB [0,1,0,0,0,0|2,0,1]=4 51 B9R1.37 CC1=C(C)C(C)=C(C)N1 1861AL [0,1,0,0,0,0|2,0,1]=4 52 B9R1.37 CC1=C(C)C(I)=C(C)S1 2438AL [0,1,0,0,0,0|1,1,1]=4 53 B9R1.38 CC1(C)CC(=O)NC1=O 2278AL [0,1,0,0,0,0|3,0,0]=4 54 B7R0.2 C=C(C)CC(C)CC 5312AL [0,0,1,0,0,0|2,0,1]=4 55 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,0,1,0,0,0|2,0,0]=3 56 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,0,1,0,0,0|2,0,1]=4 57 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,0,1,0,0,0|2,0,1]=4 58 B7R0.5 CCCC(=O)C(C)C 5712AL [0,0,1,0,0,0|1,0,2]=4 59 B7R0.5 CCNC(C)C(N)=O 7697AD [0,0,1,0,0,0|2,0,1]=4 60 B7R0.5 CCSC(C)C(=O)O 6924AD [0,0,1,0,0,0|1,1,1]=4 61 B7R0.7 C=C=CC(=O)OCC 4330AD [0,0,1,0,0,0|2,0,1]=4 62 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [0,0,1,0,0,0|2,0,0]=3 63 B7R0.7 CCOC(=O)\C=C/I 7873AL [0,0,1,0,0,0|2,0,0]=3 64 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [0,0,1,0,0,0|1,0,1]=3 65 B9R2.39 BrC1=CC2CCC1C2 V7347 [0,0,0,1,0,0|2,0,1]=4 66 B9R2.39 O=C1CC2CCC1C2 B806 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.34 CC1=CC(=O)C=C(O)O1 0884AC [0,0,0,0,0,1|1,0,1]=3 68 B9R1.34 CC1CC(=O)CC(C)N1 1417AJ [0,0,0,0,0,1|1,0,2]=4 69 B9R1.34 CC1CC(=O)CC(C)N1 7189AC [0,0,0,0,0,1|1,0,2]=4 70 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,0,0,0,0,1|0,0,2]=3 71 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 3929AJ [0,0,0,0,0,1|1,0,2]=4 72 B9R1.69 CC1=CC(Br)=C(C)N=C1 5296AH [0,0,0,0,0,1|2,0,1]=4 73 B9R1.69 CC1=CC(C)=NC=C1Br W5018 [0,0,0,0,0,1|2,0,1]=4 74 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [0,0,0,0,0,1|1,0,2]=4 75 B9R1.69 CC1=CC=C(C)C(N)=C1 7917AF [0,0,0,0,0,1|2,0,1]=4 76 B9R1.69 CC1=CN=C(C)C=C1Br Z4278 [0,0,0,0,0,1|2,0,1]=4 77 B9R1.69 CC1=CN=C(C)C=C1Cl 1275AB [0,0,0,0,0,1|2,0,1]=4 78 B9R1.69 CC1=CN=C(O)C(C)=N1 W7279 [0,0,0,0,0,1|1,0,2]=4 79 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,0,0,0,0,1|1,0,2]=4 80 B9R1.69 CN1N=C(Cl)C=CC1=O 3505AJ [0,0,0,0,0,1|3,0,0]=4 81 B6R0.1 C=CC(C)CCC 6092AL [1,0,1,0,0,0|1,0,1]=4 82 B6R0.1 CCC(=O)CSC K829 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.1 COC(=O)\C=C\N 1217AQ [1,0,1,0,0,0|2,0,0]=4 84 B6R0.2 CC(=O)SC(C)=O 7216AF [1,0,1,0,0,0|1,0,1]=4 85 B6R0.4 C=CCCC(=C)C 5696AL [1,0,1,0,0,0|2,0,0]=4 86 B6R0.4 CCCC=C(C)C 5704AL [1,0,1,0,0,0|1,0,1]=4 87 B6R0.4 C\C=C\CC(C)C 6798AL [1,0,1,0,0,0|1,0,1]=4 88 B6R0.3 CCC(=O)C(C)Br 5539AL [1,0,1,0,0,0|1,0,1]=4 89 B6R0.3 CCC(=O)C(C)S 5675AL [1,0,1,0,0,0|0,1,1]=4 90 B6R0.3 CCC(C)C(C)=O U423 [1,0,1,0,0,0|0,0,2]=4 91 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,0,1,0,0,0|1,0,1]=4 92 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,0,1,0,0,0|2,0,0]=4 93 B6R0.3 COC(=O)[C@@H](C)Cl X3442 [1,0,1,0,0,0|2,0,0]=4 94 B6R0.3 CON(C)C(=O)Cl 8593AL [1,0,1,0,0,0|2,0,0]=4 95 B6R0.3 CSC(C)C(=O)O 6148AE [1,0,1,0,0,0|1,1,0]=4 96 B6R0.3 CSC(C)C(C)=O 6125AL [1,0,1,0,0,0|0,1,1]=4 97 B6R0.3 C\C=C(/C)C(C)=O 6105AL [1,0,1,0,0,0|0,0,2]=4 98 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,0,1,0,0,0|1,0,1]=4 99 B6R1.2 CC1=CCCC1 9313AJ [2,0,0,0,0,0|1,0,1]=4 100 B6R1.2 CC1=NC=CO1 1470AB [2,0,0,0,0,0|1,0,1]=4 101 B6R1.2 CC1=NOC=C1 Z4582 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 O=C1C=CCN1 V5771 [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 O=C1C=CCS1 1311AQ [2,0,0,0,0,0|1,1,0]=4 104 B8R0.2 COC(=O)C(Br)=C(C)C 4627AE [0,1,1,0,0,0|2,0,0]=4 105 B8R0.5 COCC(=O)CC(C)=O W7487 [0,1,1,0,0,0|0,0,2]=4 106 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,1,1,0,0,0|2,0,0]=4 107 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,1,0,0,0|0,0,2]=4 108 B8R0.23 CC(=O)N[C@@H](C)C(N)=O U537 [0,1,1,0,0,0|2,0,0]=4 109 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,1,0,0,0|0,0,2]=4 110 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [0,1,1,0,0,0|1,0,1]=4 111 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 CC1=CC(C#N)=NO1 V0794 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 CC1=CC=C(C#N)O1 4023AD [1,1,0,0,0,0|0,0,2]=4 114 B8R1.1 CC1=CC=C(CCl)S1 4231AB [1,1,0,0,0,0|0,1,1]=4 115 B8R1.1 CC1=CC=C(CN)S1 V3761 [1,1,0,0,0,0|0,1,1]=4 116 B8R1.1 CC1=CC=C(CN)S1 Z2080 [1,1,0,0,0,0|0,1,1]=4 117 B8R1.1 CC1=CC=C(CO)S1 V7056 [1,1,0,0,0,0|0,1,1]=4 118 B8R1.1 CC1=NC=C(CO)O1 8519AH [1,1,0,0,0,0|1,0,1]=4 119 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,1,0,0,0,0|2,0,0]=4 120 B8R1.1 CC1=NOC(CCl)=C1 5416AB [1,1,0,0,0,0|2,0,0]=4 121 B8R1.1 CC1=NOC(CN)=C1 0875AC [1,1,0,0,0,0|2,0,0]=4 122 B8R1.1 CC1=NOC(CN)=C1 Y7628 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.1 CCC1=CC=C(C)O1 8739AA [1,1,0,0,0,0|0,0,1]=3 124 B8R1.1 CN1C=CC(CCl)=N1 1837AF [1,1,0,0,0,0|2,0,0]=4 125 B8R1.1 CN1C=CC(CN)=N1 3880AJ [1,1,0,0,0,0|2,0,0]=4 126 B8R1.1 CN1C=CC(CO)=N1 Y5569 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.1 CNC1=NOC(C)=C1 4341AJ [1,1,0,0,0,0|2,0,0]=4 128 B8R1.1 COC1=CC(=O)CC1 6398AB [1,1,0,0,0,0|1,0,0]=3 129 B8R1.1 COC1=CC(N)=NO1 R093 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.1 ClCC1=CC(Br)=NO1 Y7302 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.1 NCC1=CC(Br)=NO1 W9337 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.1 OCC1=CC(Br)=CO1 8845AB [1,1,0,0,0,0|1,0,1]=4 133 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [1,1,0,0,0,0|1,0,1]=4 134 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [1,1,0,0,0,0|1,0,0]=3 135 B8R1.50 CC1=C(C)C(=O)NC1 2679AE [1,1,0,0,0,0|2,0,0]=4 136 B8R1.50 CC1=CC=C(C)N1C 4413AL [1,1,0,0,0,0|1,0,1]=4 137 B8R1.50 CC1=NOC(C)=C1Cl 8232AC [1,1,0,0,0,0|2,0,0]=4 138 B8R1.50 CN1C(=O)COC1=O 4361AD [1,1,0,0,0,0|2,0,0]=4 139 B8R1.50 O=C1OCC(Cl)=C1Cl 0792AQ [1,1,0,0,0,0|2,0,0]=4 140 B8R1.51 CC1(C)OCC(=O)O1 5725AB [1,1,0,0,0,0|1,0,1]=4 141 B8R1.11 CC1=C(C#N)C=CO1 1402AB [1,1,0,0,0,0|1,0,1]=4 142 B8R1.11 CC1=C(C=O)C=CO1 Y9472 [1,1,0,0,0,0|0,0,1]=3 143 B8R1.11 CC1=C(C=O)C=CS1 3068AC [1,1,0,0,0,0|0,1,1]=4 144 B8R1.11 CC1=C(CN)C=CO1 8523AH [1,1,0,0,0,0|1,0,1]=4 145 B8R1.11 CC1=C(CO)OC=C1 6906AD [1,1,0,0,0,0|1,0,1]=4 146 B8R1.19 CC1(C)OC=CC1=O 0580AQ [1,1,0,0,0,0|0,0,0]=2 147 B10R1.8 COC1=NC(=O)C=C(C)N1 8181AB [0,1,0,0,0,1|1,0,1]=4 148 B10R1.22 CC1=NC(=O)C(Br)=C(C)N1 3358AC [0,1,0,0,0,1|1,0,1]=4 149 B10R1.22 CC1=NC(=O)C(I)=C(C)N1 2863AC [0,1,0,0,0,1|1,0,1]=4 150 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [0,1,0,0,0,1|1,0,1]=4 151 B10R1.176 CN1C=CC(CO)=CC1=O 9917AH [0,1,0,0,0,1|2,0,0]=4 152 B10R1.176 O=C1C=C(CCl)OC=C1O 1801AL [0,1,0,0,0,1|1,0,1]=4 153 B10R1.34 CC1=CC(C=O)=C(C)N1C 5345AE [0,2,0,0,0,0|1,0,1]=4 154 B10R1.59 CC1=CC(C(C)N)=C(C)O1 9386AH [0,2,0,0,0,0|1,0,1]=4 155 B10R1.271 CC1=[C-]C(C)(C)C(C)=C1C 3071AC [0,2,0,0,0,0|2,0,0]=4 156 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,1,1,0,0|2,0,0]=4 157 B8R1.5 CC1OCCNC1=O 5590AJ [0,0,1,1,0,0|1,0,1]=4 158 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,0,1,1,0,0|1,0,1]=4 159 B8R1.7 CC(O)C1=COC=C1 3660AD [0,0,1,1,0,0|2,0,0]=4 160 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,0,1,1,0,0|1,0,1]=4 161 B10R2.178 [C@H]12C=CC(=O)[C@H](OC1)O2 1820AE [0,0,0,1,0,1|1,0,1]=4 162 B8R0.9 CCC(=O)CCC(=O)O 8820AC [0,0,1,0,0,1|1,0,1]=4 163 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,0,1,0,0,1|0,0,2]=4 164 B8R0.9 CCC(=O)COC(C)=O X5648 [0,0,1,0,0,1|0,0,2]=4 165 B8R0.9 COC(=O)\C=C/C(=O)O F587 [0,0,1,0,0,1|2,0,0]=4 166 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,0,1,0,0,1|1,0,1]=4 167 B8R1.3 CC1=NN=C(C)C=C1 X3917 [1,0,0,0,0,1|1,0,1]=4 168 B8R1.3 CC1CNC(=O)CO1 6453AJ [1,0,0,0,0,1|0,0,2]=4