0 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O AB11161 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.623 CCOC(=O)c1cccnc1C(=O)O AB31822 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.464 CCOC(=N)c1ccccc1C#N AB44620 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.464 CCOC(=O)c1c(cccn1)C#N AB31814 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.464 CCOC(=O)c1c(cccn1)CCl AB60067 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.464 CCOC(=O)c1cccnc1C#N AB31816 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.464 CCOC(=O)c1cccnc1CBr MB09775 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.464 CCOC(=O)c1cccnc1CBr MB09844 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.464 CCOC(=O)c1cccnc1CCl AB60060 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.464 CCOC(=O)c1ccncc1CCl AB60086 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.464 CCOC(=O)c1cnccc1C#N AB76338 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.547 B(c1ccccc1C(=O)OC)(O)O AB11160 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.547 COC(=O)c1c(cccn1)C(=O)N AB76547 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.572 B(c1ccccc1COCC)(O)O AB30887 [1,0,0,0,0,0|1,0,2]=4 14 B15R1.765 B(c1ccc(cc1C(=O)OCC)Cl)(O)O AB26403 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.765 CCOC(=O)c1cc(ccc1[N+](=O)[O-])F AB23222 [0,1,0,0,0,0|1,0,1]=3 16 B15R1.811 [B-](c1ccccc1C(=O)OCC)(F)(F)F AB20596 [0,1,0,0,0,0|3,0,0]=4 17 B15R1.10569 B(c1cc(ccc1C(=O)OCC)Cl)(O)O AB30672 [0,1,0,0,0,0|1,0,1]=3 18 B15R1.10602 B(c1c(cccc1Cl)C(=O)OCC)(O)O AB69243 [0,1,0,0,0,0|1,0,1]=3 19 B15R1.10616 CCOC(=O)c1c(cccc1Cl)[N+](=O)[O-] AB23230 [0,1,0,0,0,0|1,0,1]=3 20 B15R1.1274 CCOC(=O)Cc1c(cccn1)[N+](=O)[O-] AB64427 [0,0,0,0,0,1|2,0,1]=4 21 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.261 B(c1ccccc1C(=O)O)(O)O AB08634 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.261 c1cncc(c1C(=O)O)C(=O)O CB10042 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.283 B(c1ccccc1OCC)(O)O AB06922 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [2,0,0,0,0,0|1,0,0]=3 42 B14R1.7233 CCOC(=O)c1ccc(cc1OC)Br MB09075 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.707 B(c1ccc(cc1C(=O)OC)F)(O)O AB30711 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.707 CNC(=O)c1cc(ccc1C(=O)N)O MB25230 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.707 CNC(=O)c1cc(ccc1C(=O)O)O MB25233 [1,1,0,0,0,0|1,0,0]=3 46 B14R1.1126 B(c1cc(ccc1C(=O)OC)F)(O)O AB13721 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.1126 CNC(=O)c1ccc(cc1C(=O)N)O MB36946 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.1153 CNC(=O)c1cccc(c1C(=O)O)O MB29225 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.1164 CNC(=O)c1c(cccc1O)C(=O)N MB25083 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.1164 CNC(=O)c1c(cccc1O)C(=O)O MB25086 [1,1,0,0,0,0|1,0,0]=3 51 B16R1.2220 CCOC(=O)Cc1c(c(ccn1)N)C(=O)O AB83465 [0,1,0,0,0,1|1,0,0]=3 52 B16R1.2220 CCOC(=O)Cc1ccnc(c1C(=O)C)O AB84254 [0,1,0,0,0,1|2,0,0]=4 53 B16R1.2220 CCOC(=O)Cc1ccnc(c1C(=O)O)N AB83483 [0,1,0,0,0,1|1,0,0]=3 54 B16R1.2220 CCOC(=O)Cc1cncc(c1C(=O)C)O AB84156 [0,1,0,0,0,1|2,0,0]=4 55 B16R1.2220 CCOC(=O)Cc1cncc(c1C(=O)O)N AB83391 [0,1,0,0,0,1|1,0,0]=3 56 B16R1.12475 CC(C)(C)OC(=O)c1ccccc1[N+](=O)[O-] MB03772 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.4 Cn1c2cccc(c2cn1)C(=O)O PB28556 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.9513 c1ccc(c(c1)C(=O)O)OC2CC2 MB26448 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.31359 c1cc2c(c(c1)C(=O)O)CCCC2 AB09150 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.31359 c1cnc2c(c1C(=O)O)COCC2 AB68716 [1,0,0,1,0,0|1,0,1]=4 61 B16R2.154585 CCOC(=O)n1c2ccccc2c(=O)[nH]1 AB60852 [0,0,0,1,0,1|1,0,0]=3 62 B14R1.965 CCOC(=O)Cc1ccccc1OC AB50411 [1,0,0,0,0,1|2,0,0]=4 63 B14R1.617 B(c1cccc(c1)C(=O)OCC)(O)O AB11142 [0,0,0,0,1,1|1,0,1]=4