0 B8R1.7 B(C1=CC=CO1)(O)O 5417 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.7 B(C1=CC=CO1)(O)O 6454 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C1=C(C=NN1)C(=O)O 9820 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 C1=C(NC=N1)C(=O)O 6466 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 C1=C(NN=C1)C(=O)O 5200 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 C1=C(NN=C1)[N+](=O)[O-] 10423 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 C1=C(NN=C1)[N+](=O)[O-] 10509 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 C1=C(ON=C1)C(=O)O 6510 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 C1=CN=C(N1)[N+](=O)[O-] 6645 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 C1=CNC(=C1)C(=O)O 8130 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.7 C1=CON=C1C(=O)O I8529 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.7 C1=CSC(=C1)C(=O)O 5487 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 C1=CSC(=C1)C(=O)[O-] 8282 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 C1=CSC(=N1)C(=O)O 9615 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.7 C1=NNC(=N1)C(=O)O 10072 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 CC(=O)C1=CC=CS1 8482 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.7 CC(=O)C1=CC=CS1 8660 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.7 CC(=O)C1=NC=CS1 10337 [0,0,0,0,0,0|1,0,1]=2 18 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] N0026 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 C1=CN=C(N1)C=O 6465 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.1 C1=COC(=C1)C#N 10551 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.1 C1=CSC(=C1)C#N 6398 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.1 C1=CSC(=C1)CN 6832 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.1 C1=CSC(=N1)C=O 9389 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.1 CCN1C=CC=N1 8885 [1,0,0,0,0,0|1,0,2]=4 25 B7R1.1 c1cc(oc1)C=O F0018 [1,0,0,0,0,0|1,0,0]=2 26 B7R1.1 c1cc(oc1)CN F0590 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.1 c1cc(sc1)C=O T0002 [1,0,0,0,0,0|1,0,0]=2 28 B7R1.1 o1c(ccc1)CN F0591 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.11 COC(=O)C1=CC=NN1 6618 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.11 COC(=O)C1=CN=CN1 10237 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.11 COC(=O)C1=NC=NN1 9739 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.19 C1=CSC(=C1)S(=O)(=O)Cl 5155 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.35 C1=C(OC(=C1)Br)C(=O)O 6446 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 C1=C(SC(=C1)Br)C(=O)O 6855 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl 10677 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.35 C1=C(SC(=N1)Br)C(=O)O 5706 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.35 C1=C(SC=C1Br)C(=O)O 5005 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.35 CC(=O)C1=CC=C(S1)Br 9665 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.35 CC1=CC=C(S1)C(=O)O 6693 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.35 CN1C=C(N=C1)C(=O)O 8619 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.41 C1=CSC(=C1Br)C(=O)O 5474 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.41 C1=CSC(=C1N)C(=O)N 6479 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.41 CC1=C(SC=N1)C(=O)O 8869 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.41 CN1C(=CC=N1)C(=O)O 8611 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.41 Cc1ccoc1C(=O)O M0024 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [0,0,0,0,0,1|2,0,0]=3 49 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [0,0,0,0,0,1|2,1,0]=4 50 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.6 C1=CC=NC(=C1)C(=S)N 6571 [0,0,0,0,0,1|1,1,1]=4 53 B9R1.6 C1=CN=C(C=N1)C(=O)O 6728 [0,0,0,0,0,1|1,0,1]=3 54 B9R1.6 C1=CN=CC=C1C(=S)N 6572 [0,0,0,0,0,1|2,1,0]=4 55 B9R1.6 C1=CN=CN=C1C(=O)O 10206 [0,0,0,0,0,1|1,0,1]=3 56 B9R1.6 C1=CN=CN=C1C(=O)O 6729 [0,0,0,0,0,1|1,0,1]=3 57 B9R1.6 CC(=O)C1=NC=CN=C1 6119 [0,0,0,0,0,1|0,0,1]=2 58 B9R1.6 CC(C1=CC=NC=C1)O 9776 [0,0,0,0,0,1|1,0,2]=4 59 B9R1.6 CN(C)C1=CC=NC=C1 5603 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.6 CN(C)c1ccncc1 D0718 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.6 c1ccnc(c1)C(=O)O P2885 [0,0,0,0,0,1|1,0,1]=3 62 B9R1.6 c1cncnc1C(=O)O P8990 [0,0,0,0,0,1|1,0,1]=3 63 B9R1.13 C1=CSC=C1CC(=O)O 6801 [0,0,0,0,0,1|3,0,0]=4 64 B6R1.2 C1=C(NC=N1)Br 10481 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 C1=C(NN=C1)N 5250 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 C1=CSC(=C1)Br 5377 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 C1=CSC(=C1)Cl 9477 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 C1=CSC(=C1)I 9486 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 C1CC(=O)C=C1 9804 [2,0,0,0,0,0|1,0,1]=4 70 B6R1.2 CC1=CC=CS1 8742 [2,0,0,0,0,0|1,0,0]=3 71 B6R1.2 CC1=CC=NN1 8083 [2,0,0,0,0,0|1,0,0]=3 72 B6R1.2 CC1=CN=CN1 9563 [2,0,0,0,0,0|1,0,0]=3 73 B6R1.2 CC1=CSC=N1 8929 [2,0,0,0,0,0|1,0,1]=4 74 B6R1.2 Cc1cccs1 M0049 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.8 C1=C(NC=N1)CCN 8849 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.11 C1=NNC(=C1Cl)C=O 9704 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.11 CC1=C(SC=N1)C=O 8622 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.13 C1=C(N=CC(=N1)Cl)C(=O)O 8658 [0,1,0,0,0,1|1,0,1]=4 80 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,1,0,0,0,1|1,0,1]=4 88 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,1,0,0,0,1|1,0,1]=4 89 B10R1.13 C1=CC(=NN=C1C(=O)O)Cl 6730 [0,1,0,0,0,1|1,0,1]=4 90 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,1,0,0,0,1|1,0,0]=3 91 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,0,1|1,0,0]=3 93 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,1,0,0,0,1|0,0,1]=3 95 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.15 C1=CC(=CN=C1)C(=O)NN 6873 [0,1,0,0,0,1|1,0,1]=4 98 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [0,1,0,0,0,1|1,0,0]=3 99 B10R1.15 C1=CN=CC=C1C(=O)NN 8671 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.15 COC(=O)C1=CC=NC=C1 9961 [0,1,0,0,0,1|1,0,0]=3 101 B10R1.15 COC(=O)C1=CN=CC=C1 6793 [0,1,0,0,0,1|0,0,1]=3 102 B10R1.15 COC(=O)C1=NC=CC=N1 9564 [0,1,0,0,0,1|0,0,1]=3 103 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [0,1,0,0,0,1|1,0,1]=4 104 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [0,1,0,0,0,1|1,0,1]=4 105 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [0,1,0,0,0,1|1,0,1]=4 109 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,0,1|2,0,0]=4 110 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,1,0,0,0,1|2,0,0]=4 112 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,1,0,0,0,1|2,0,0]=4 113 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [0,1,0,0,0,1|1,0,1]=4 114 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [0,1,0,0,0,1|2,0,0]=4 115 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [0,1,0,0,0,1|2,0,0]=4 117 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [0,1,0,0,0,1|1,0,1]=4 119 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [0,1,0,0,0,1|1,0,1]=4 120 B10R1.61 C1=CNC(=O)C(=C1)[N+](=O)[O-] 9986 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,0,1|0,0,1]=3 122 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,0,1|1,0,0]=3 123 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,0,1|1,0,0]=3 124 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,0,1|1,0,0]=3 125 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [0,1,0,0,0,1|1,0,1]=4 126 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [0,1,0,0,0,1|0,0,1]=3 127 B10R1.113 C1=C(C=NC=C1Br)C(=O)N 5683 [0,1,0,0,0,1|1,0,1]=4 128 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O 10525 [0,1,0,0,0,1|1,0,1]=4 129 B10R1.113 C1=C(C=NC=C1N)C(=O)O 9365 [0,1,0,0,0,1|1,0,1]=4 130 B10R1.113 C1=C(C=NC=C1O)C(=O)O 5442 [0,1,0,0,0,1|1,0,1]=4 131 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl 8192 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O 6085 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 C1=CC(=CC(=C1)I)C(=O)O 8319 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5646 [0,1,0,0,0,1|1,0,1]=4 135 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O 5677 [0,1,0,0,0,1|1,0,1]=4 136 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O 5464 [0,1,0,0,0,1|1,0,1]=4 137 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O 6697 [0,1,0,0,0,1|1,0,0]=3 138 B10R1.113 C1=CN=C(C=C1Br)C(=O)O 5698 [0,1,0,0,0,1|1,0,1]=4 139 B10R1.113 C1=CN=C(C=C1C(=O)N)Cl 5659 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl 6443 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O 9386 [0,1,0,0,0,1|1,0,1]=4 142 B10R1.113 C1=CNC(=O)C=C1C(=O)O 5040 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.113 C1=CNC(=O)C=C1C(=O)O 8855 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.113 CC(=O)C1=CC(=CC=C1)Cl 10105 [0,1,0,0,0,1|1,0,0]=3 145 B10R1.113 CC(=O)C1=CC(=CC=C1)F 8337 [0,1,0,0,0,1|1,0,0]=3 146 B10R1.113 CC(=O)C1=CC(=CC=C1)I 6861 [0,1,0,0,0,1|1,0,0]=3 147 B10R1.113 CC(=O)C1=CC(=CC=C1)O 5263 [0,1,0,0,0,1|1,0,0]=3 148 B10R1.113 CC(=O)C1=NC(=CC=C1)Br 10007 [0,1,0,0,0,1|0,0,1]=3 149 B10R1.113 CC1=CN=CC(=C1)C(=O)O 9194 [0,1,0,0,0,1|1,0,1]=4 150 B10R1.11 CCOC(=O)C1=CC=CN1 8462 [0,2,0,0,0,0|0,0,0]=2 151 B10R1.11 CCOC(=O)C1=CN=CN1 9361 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.11 CCOC(=O)C1=NOC=C1 I8530 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN 8454 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.14 COC(=O)C1=CC(=O)NO1 10528 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.14 COC(=O)C1=CN=C(S1)N 6734 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.149 COC(=O)C1=C(C=CS1)N 5465 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.149 COC(=O)C1=C(C=CS1)O 10625 [0,2,0,0,0,0|1,0,0]=3 158 B10R1.59 CC(=O)C1=C(SC(=C1)Cl)Cl 6023 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.39 CCN1C=CC=C1C(=O)C 6121 [0,2,0,0,0,0|0,0,0]=2 160 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [0,0,1,1,0,0|1,0,1]=4 161 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [0,0,1,1,0,0|1,0,1]=4 162 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [0,0,1,1,0,0|2,0,0]=4 163 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [0,0,1,1,0,0|2,0,0]=4 164 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [0,0,1,1,0,0|2,0,0]=4 165 B8R1.4 C1=CC(=O)NC(=C1)Cl 10464 [0,0,1,1,0,0|2,0,0]=4 166 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [0,0,1,1,0,0|2,0,0]=4 167 B8R1.4 CC1=CC(=CC=C1)Br 9432 [0,0,1,1,0,0|2,0,0]=4 168 B8R1.4 CC1=CC(=CC=C1)I 8771 [0,0,1,1,0,0|2,0,0]=4 169 B8R1.4 CC1=CC(=CN=C1)N 8645 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.4 CC1=NC(=CC=C1)Br 5660 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.4 CC1=NC(=CC=C1)F 9658 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.4 CC1=NC=CC(=C1)N 6613 [0,0,1,1,0,0|2,0,0]=4 174 B8R1.4 Cc1ccnc(n1)N A0244 [0,0,1,1,0,0|2,0,0]=4 175 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [0,0,1,1,0,0|2,0,0]=4 176 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [0,0,1,1,0,0|2,0,0]=4 177 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [0,0,1,1,0,0|1,0,1]=4 178 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [0,0,1,1,0,0|1,0,1]=4 179 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [0,0,1,1,0,0|1,0,1]=4 180 B8R1.5 C1=CNC=C(C1=O)N 9533 [0,0,1,1,0,0|1,0,1]=4 181 B8R1.5 CC1=C(C=CC=N1)Br 5675 [0,0,1,1,0,0|2,0,0]=4 182 B8R1.5 CC1=C(C=CC=N1)N 10626 [0,0,1,1,0,0|1,0,0]=3 183 B8R1.5 CC1=CC=CC=C1Cl 5808 [0,0,1,1,0,0|2,0,0]=4 184 B8R1.5 CC1=CC=CC=C1I 5298 [0,0,1,1,0,0|2,0,0]=4 185 B8R1.5 c1ccc(c(c1)N)F F0011 [0,0,1,1,0,0|1,0,1]=4 186 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,1|1,0,1]=4 187 B8R1.2 COC1=CC=NC=C1 10117 [1,0,0,0,0,1|2,0,0]=4 188 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,1|0,0,1]=3 189 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,1|1,0,0]=3 190 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,1|1,0,0]=3 191 B10R1.18 C1=CC(=CN=C1)CC(=O)O 9059 [0,0,0,0,0,2|1,0,1]=4 192 B10R1.18 C1=CC=C(C=C1)NC(=O)N 10186 [0,0,0,0,0,2|2,0,0]=4 193 B10R1.18 C1=CC=C(C=C1)NC(=O)N 6814 [0,0,0,0,0,2|2,0,0]=4