0 B7R1.2 CC1=CC(Cl)=NN1 08-6986 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 CC1=CN=C(C)S1 08-5507 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=CN=C(Cl)S1 08-6915 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CNC(C)=N1 CS-459 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CC1=COC(N)=N1 08-878 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CC1=CSC(Br)=N1 08-962 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=CSC(Cl)=N1 08-1928 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CSC(N)=C1 08-4614 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 CC1=NC(Br)=CN1 08-955 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=NC=C(Br)S1 08-6499 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=NNC(C)=N1 08-5098 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CC1=NSC(I)=C1 08-3999 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CN1C=C(Br)C=N1 08-685 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CN1C=NC(I)=C1 08-1164 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CN1CCC(=O)C1 08-3269 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.2 CN1CC[C@H](N)C1 024109 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.2 CN1CC[C@H](N)C1 024126 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.2 CN1CC[C@H](N)C1 08-5366 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 CN1CC[C@H](N)C1 20-1840 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.2 CN1CC[C@H](O)C1 024105 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.2 CN1CC[C@H](O)C1 025079 [0,0,0,0,0,0|1,0,3]=4 21 B7R1.2 CN1CC[C@H](O)C1 08-5293 [0,0,0,0,0,0|1,0,3]=4 22 B7R1.2 NC1=NC(=O)CS1 08-889 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 O=C1C=C(Br)CO1 08-1670 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.2 O=C1CCC(=O)N1 BIO-450 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 BrC1=NNC=C1 08-8168 [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 BrC1=NOC=C1 08-1711 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 BrC1=NSC=C1 08-5883 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 C[C@H]1CCCN1 04-2368 [1,0,0,0,0,0|1,0,2]=4 29 B6R1.2 ClC1=NSC=C1 08-3525 [1,0,0,0,0,0|3,0,0]=4 30 B6R1.2 FC1=NNC=C1 08-10530 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 NC1=CC=NN1 08-10069 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1=NOC=C1 08-5339 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 O=C1C=CCO1 08-3977 [1,0,0,0,0,0|1,0,0]=2 34 B6R1.2 O=C1C=CSN1 08-6056 [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 O=C1CCNC1 08-5561 [1,0,0,0,0,0|1,0,1]=3 36 B6R1.2 O=C1CCOC1 08-5730 [1,0,0,0,0,0|1,0,1]=3 37 B6R1.2 OC1=CC=NN1 08-6049 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 CC1=CC(CBr)=NO1 08-3470 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.1 CC1=NC(C=O)=CO1 08-2415 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.1 CC1=NC(C=O)=CS1 08-1143 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.1 CC1=NC=C(C=O)S1 08-2217 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.1 CN1C=C(C=O)C=N1 08-4028 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.1 COC1=CC(N)=NN1 08-5441 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.1 ClCC1=CC(Br)=NO1 08-924 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.1 NCC1=CC(Br)=CS1 08-1631 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.1 NCC1=CC(Cl)=CS1 08-4313 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.1 NCC1=CSC(Cl)=C1 08-7005 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.1 O=C1CC[C@H](CO)N1 020980S [0,1,0,0,0,0|1,0,1]=3 49 B8R1.1 O=C1CC[C@H](CO)N1 04-2405 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.1 O=CC1=CSC(Cl)=C1 08-6909 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.1 OCC1=CC(Br)=CS1 08-1705 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.1 OCC1=CC(Br)=NO1 08-943 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 OCC1=CC(Cl)=CS1 08-7015 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.1 OCC1=CSC(Cl)=C1 08-7014 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.18 CC1=NN(C)C(Br)=C1 08-1653 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.18 C[C@@H]1NC(=O)OC1=O 19-1463 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.50 CC1=C(C)C(N)=NO1 08-5150 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.50 CC1=NOC(C)=C1Br 08-6693 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.50 CC1=NOC(C)=C1I 08-265 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.50 O=C1CCC(=O)N1O 04-1830 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.50 O=C1OCC(Br)=C1Br 08-1053 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.51 CC1(C)COC(=O)N1 08-5111 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CCCC(=O)OC 20-0400 [0,0,1,0,0,0|1,0,2]=4 64 B6R0.1 CCNC(=O)CO 08-10467 [0,0,1,0,0,0|2,0,1]=4 65 B6R0.1 CCOC(=O)CF 26-792 [0,0,1,0,0,0|2,0,1]=4 66 B6R0.1 CCOC(=O)CN 04-1586 [0,0,1,0,0,0|2,0,1]=4 67 B6R0.1 CNCC(=O)OC 04-2425 [0,0,1,0,0,0|2,0,1]=4 68 B6R0.1 COC(=O)\C=C/Br 08-1758 [0,0,1,0,0,0|2,0,0]=3 69 B6R0.1 COC(=O)\C=C/I 08-3227 [0,0,1,0,0,0|2,0,0]=3 70 B6R0.2 CC(C)=CB(O)O 08-1082 [0,0,1,0,0,0|2,0,1]=4 71 B6R0.2 CC(C)CC(=O)O 022864S [0,0,1,0,0,0|1,0,2]=4 72 B6R0.4 CCCCC(=O)O 025124 [0,0,1,0,0,0|1,0,1]=3 73 B6R0.4 CCCCC(=O)O 71-0509 [0,0,1,0,0,0|1,0,1]=3 74 B6R0.4 NCCCC(=O)O 020706 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.4 NCCCC(=O)O 06-1637 [0,0,1,0,0,0|2,0,1]=4 76 B6R1.4 C[C@H]1COC1=O 08-7564 [0,0,0,0,1,0|1,0,1]=3 77 B6R1.5 NC1CC(=O)C1 08-4619 [0,0,0,0,1,0|1,0,2]=4 78 B6R1.5 O=C1CC(Br)C1 08-6789 [0,0,0,0,1,0|1,0,2]=4 79 B8R1.3 CC1=CC=C(N)N=N1 08-4593 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.3 CC1=CN=C(Br)C=C1 08-4977 [0,0,0,0,0,1|1,0,2]=4 81 B8R1.3 CC1=CN=C(Br)C=N1 08-4223 [0,0,0,0,0,1|2,0,1]=4 82 B8R1.3 CC1=CN=C(Cl)N=C1 08-3054 [0,0,0,0,0,1|2,0,1]=4 83 B8R1.3 CC1=CN=C(F)C=C1 26-3773 [0,0,0,0,0,1|1,0,2]=4 84 B8R1.3 CC1=CN=C(N)N=C1 08-4554 [0,0,0,0,0,1|2,0,1]=4 85 B8R1.3 CC1=NC=C(Br)C=C1 08-2959 [0,0,0,0,0,1|1,0,2]=4 86 B8R1.3 CC1=NC=C(Br)C=N1 08-4716 [0,0,0,0,0,1|2,0,1]=4 87 B8R1.3 CC1=NC=C(F)C=C1 08-2200 [0,0,0,0,0,1|1,0,2]=4 88 B8R1.3 CC1=NN=C(Cl)C=C1 08-4286 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.3 CC1=NNC(=O)C=C1 08-5381 [0,0,0,0,0,1|2,0,0]=3 90 B8R1.3 N[C@H]1CCC(=O)NC1 08-4610 [0,0,0,0,0,1|1,0,2]=4 91 B8R1.4 CC1=CC(=O)NN=C1 08-4016 [0,0,0,0,0,1|1,0,1]=3 92 B8R1.4 CC1=CC(Br)=CN=C1 08-1304 [0,0,0,0,0,1|1,0,2]=4 93 B8R1.4 CC1=CC(Br)=NC=C1 08-2958 [0,0,0,0,0,1|1,0,2]=4 94 B8R1.4 CC1=CC(C)=NC=N1 08-7203 [0,0,0,0,0,1|2,0,1]=4 95 B8R1.4 CC1=CC(Cl)=NN=C1 08-1918 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.4 CC1=CC(F)=NC=C1 09-1253 [0,0,0,0,0,1|1,0,2]=4 97 B8R1.4 CC1=CC(O)=CN=C1 08-9590 [0,0,0,0,0,1|0,0,3]=4 98 B8R1.4 CC1=CN=CC(N)=C1 08-674 [0,0,0,0,0,1|1,0,2]=4 99 B8R1.4 CC1=CN=NC(N)=C1 08-4146 [0,0,0,0,0,1|2,0,1]=4 100 B8R1.4 CC1=NC=CC(Br)=C1 08-701 [0,0,0,0,0,1|1,0,2]=4 101 B8R1.4 CC1=NC=CC(O)=C1 08-7407 [0,0,0,0,0,1|0,0,3]=4 102 B8R1.4 C[C@H]1CC(=O)CCN1 08-7732 [0,0,0,0,0,1|0,0,2]=3 103 B8R1.4 NC1=CC(=O)CCC1 08-9979 [0,0,0,0,0,1|1,0,0]=2 104 B8R1.4 NC1=CC(=O)NC=C1 08-4548 [0,0,0,0,0,1|1,0,2]=4 105 B8R1.4 N[C@H]1CCNC(=O)C1 08-4549 [0,0,0,0,0,1|1,0,2]=4 106 B8R1.4 O=C1C=C(I)C=NN1 08-5347 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.4 O=C1CCNC(=O)C1 08-7934 [0,0,0,0,0,1|1,0,1]=3 108 B8R1.4 O=C1COCC(=O)C1 08-7935 [0,0,0,0,0,1|1,0,1]=3 109 B8R1.4 O=C1COCC(=O)O1 19-1401 [0,0,0,0,0,1|2,0,0]=3 110 B5R0.1 C=C(C)OCC 08-3147 [1,0,1,0,0,0|1,0,1]=4 111 B5R0.1 CCCC(=O)O 10-0400 [1,0,1,0,0,0|1,0,0]=3 112 B5R0.1 CNCC(=O)O 04-2418 [1,0,1,0,0,0|2,0,0]=4 113 B5R0.1 CNCC(=O)O BIO-957 [1,0,1,0,0,0|2,0,0]=4 114 B5R0.1 CNCC(N)=O 04-2420 [1,0,1,0,0,0|2,0,0]=4 115 B5R0.1 C\C=C\C(=O)O 020716 [1,0,1,0,0,0|1,0,0]=3 116 B5R0.1 NCCC(=O)O 025502 [1,0,1,0,0,0|2,0,0]=4 117 B5R0.1 O=C(O)CCCl CS-222 [1,0,1,0,0,0|2,0,0]=4 118 B5R0.2 CCO\C=C/Br 08-929 [1,0,1,0,0,0|2,0,0]=4 119 B5R0.3 CCC(=O)OC 20-0300 [1,0,1,0,0,0|1,0,0]=3 120 B5R0.3 COC(=O)CN 04-1589 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.2 CC[C@H](C)CC(=O)O CS-801 [0,1,1,0,0,0|0,0,2]=4 122 B7R0.5 CCOC(=O)[C@H](C)F 26-799 [0,1,1,0,0,0|1,0,1]=4 123 B7R0.5 CCOC(=O)[C@H](C)N 04-132 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.7 CCCC(=O)OCC 023317S [0,1,1,0,0,0|0,0,2]=4 125 B7R0.7 CCOC(=O)CCN 04-130 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.7 CCOC(=O)CNC 04-2424 [0,1,1,0,0,0|1,0,1]=4 127 B7R0.10 COC(=O)C(=O)CBr 08-1105 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.10 COC(=O)C(=O)OC 25-0200 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.4 CCCCCC(=O)O 10-0600 [0,1,1,0,0,0|1,0,1]=4 130 B7R0.4 NCCCCC(=O)O 12-902 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.6 C=C(Cl)CSC(C)=O 08-5077 [0,1,1,0,0,0|2,0,0]=4 132 B7R0.6 CC(=O)NCC(=O)O 04-2739 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.6 O=C(Cl)CCC(=O)Cl 19-1216 [0,1,1,0,0,0|2,0,0]=4 134 B7R0.6 O=C(O)CCC(=O)O 15-0400 [0,1,1,0,0,0|2,0,0]=4 135 B7R1.1 BrCC1=CCCC1 08-6691 [1,1,0,0,0,0|0,0,1]=3 136 B7R1.1 NCC1=COC=C1 08-8102 [1,1,0,0,0,0|1,0,1]=4 137 B7R1.1 NCC1=CSC=C1 08-2562 [1,1,0,0,0,0|1,0,1]=4 138 B7R1.1 NCC1=NOC=C1 08-7508 [1,1,0,0,0,0|2,0,0]=4 139 B7R1.1 OCC1=CC=CO1 025186S [1,1,0,0,0,0|1,0,1]=4 140 B7R1.1 OCC1=NNC=C1 08-7446 [1,1,0,0,0,0|2,0,0]=4 141 B7R1.4 N[C@H]1CCSC1=O BIO-831 [1,1,0,0,0,0|1,0,1]=4 142 B7R1.4 N[C@H]1CONC1=O BIO-126 [1,1,0,0,0,0|2,0,0]=4 143 B7R1.4 O=C1CCC=C1Br 08-1640 [1,1,0,0,0,0|0,0,0]=2 144 B7R1.4 O=C1NCC[C@@H]1Br 08-10050 [1,1,0,0,0,0|1,0,1]=4 145 B7R1.4 O=C1NCC[C@H]1O 08-10451 [1,1,0,0,0,0|1,0,1]=4 146 B7R1.4 O[C@H]1CCC=C1Br 08-10582 [1,1,0,0,0,0|0,0,2]=4 147 B7R1.14 O=S1(=O)C=CCC1 08-5153 [1,1,0,0,0,0|1,0,0]=3 148 B7R1.10 O=C1CC(CO)C1 08-5307 [0,1,0,0,1,0|0,0,2]=4 149 B9R1.1 CC1=CN=C(C=O)C=C1 08-2433 [0,1,0,0,0,1|0,0,2]=4 150 B9R1.1 CC1=NC=C(C=O)C=C1 08-3652 [0,1,0,0,0,1|0,0,2]=4 151 B9R1.1 NCC1=CNC(=O)C=C1 08-6208 [0,1,0,0,0,1|0,0,2]=4 152 B9R1.2 CC1=CC(C=O)=NC=C1 08-9183 [0,1,0,0,0,1|0,0,2]=4 153 B9R1.2 NCC1=CC(=O)N=CN1 08-4638 [0,1,0,0,0,1|1,0,1]=4 154 B9R1.2 NC[C@H]1CCNC(=O)C1 20-1633 [0,1,0,0,0,1|0,0,2]=4 155 B9R1.2 O=C1C=C(CO)C=CN1 08-5303 [0,1,0,0,0,1|0,0,2]=4 156 B9R1.2 O=C1C[C@@H](CO)CCN1 08-5731 [0,1,0,0,0,1|0,0,2]=4 157 B9R1.3 CC1=C(O)C(=O)C=CO1 026555 [0,1,0,0,0,1|0,0,2]=4 158 B9R1.34 CC1=CC(=O)NC(O)=C1 08-5280 [0,1,0,0,0,1|0,0,2]=4 159 B9R1.34 CC1CC(=O)CC(=O)C1 08-10129 [0,1,0,0,0,1|0,0,2]=4 160 B9R1.23 CC1=C(Br)SC(C=O)=C1 08-122 [0,2,0,0,0,0|1,0,1]=4 161 B9R1.35 CC1=CC(C(=O)O)=CS1 08-4020 [0,2,0,0,0,0|1,0,1]=4 162 B9R1.35 CC1=CC(C(=O)O)=NN1 08-7701 [0,2,0,0,0,0|2,0,0]=4 163 B7R1.3 O=C1CCCNC1 08-7861 [0,0,1,1,0,0|1,0,1]=4 164 B7R1.3 O=C1CCCOC1 08-7989 [0,0,1,1,0,0|1,0,1]=4 165 B7R1.3 O=C1CCCSC1 08-7956 [0,0,1,1,0,0|1,0,1]=4 166 B7R1.18 NC(=O)C1CNC1 08-4566 [0,0,1,1,0,0|2,0,0]=4 167 B7R1.18 O=C(O)C1CNC1 08-4541 [0,0,1,1,0,0|2,0,0]=4 168 B9R2.39 O=C1CC2CCC1C2 025054 [0,0,0,1,0,1|0,0,2]=4 169 B5R0.5 CC(=O)C(=O)O 020761 [0,0,1,0,1,0|2,0,0]=4 170 B5R0.5 CC(=O)[C@H](C)F 26-3573 [0,0,1,0,1,0|1,0,1]=4 171 B5R0.5 CC(C)C(N)=O 08-2289 [0,0,1,0,1,0|1,0,1]=4 172 B5R1.2 O=C1CNC1 08-4650 [1,0,0,0,1,0|1,0,1]=4 173 B5R1.2 O=C1COC1 08-2476 [1,0,0,0,1,0|1,0,1]=4 174 B5R1.2 O=C1CSC1 08-4092 [1,0,0,0,1,0|1,0,1]=4 175 B9R1.48 C[C@H]1CC(=O)NCCN1 08-7452 [0,0,0,0,0,2|0,0,2]=4