0 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 CB11334 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N AB10668 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [1,0,0,0,0,0|3,0,0]=4 14 B14R2.8045 c1cc2c(c(c1)Br)[nH]c(=O)oc2=O AB27773 [0,1,0,0,0,0|2,0,1]=4 15 B14R2.8235 c1cc2c(cc1F)c(=O)oc(=O)[nH]2 AB13979 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.8235 c1cc2c(cc1O)c(=O)oc(=O)[nH]2 AB07204 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.29496 CC1(CC(=O)c2ccccc2O1)C AB32438 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C AB07062 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [0,0,1,0,0,0|3,0,0]=4 20 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,0,1,0,0,0|3,0,0]=4 23 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.2028 B1(c2cccnc2C(=O)O1)O AB57835 [0,0,0,0,1,0|2,0,0]=3 26 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,0,0,0,1,0|2,0,1]=4 27 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,0,0,0,1,0|2,0,0]=3 28 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,0,0,0,1,0|2,0,0]=3 32 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.53 COc1cccnc1C(=O)O MB04405 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.53 COc1ccncc1C(=O)O AB20474 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.53 COc1cnccc1C(=O)O AB32050 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.446 CCOC(=O)c1cc(ccc1O)N MB09086 [0,1,1,0,0,0|2,0,0]=4 44 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.4857 c1cc2c(c(c1)N)C(NC2=O)O AB63853 [0,1,0,0,1,0|2,0,0]=4 46 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O PB33839 [0,1,0,0,1,0|1,0,1]=4 47 B13R2.5187 c1cc2c(cc1Br)C(NC2=O)O AB50380 [0,1,0,0,1,0|2,0,0]=4 48 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,1,0,0,1,0|2,0,0]=4 49 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O AB12727 [0,1,0,0,1,0|1,0,0]=3 50 B13R2.5569 c1cc(c2ccoc2c1)C(=O)O PB31474 [0,0,1,1,0,0|2,0,0]=4 51 B13R2.5569 c1cnc2c(c1C(=O)O)OCO2 AB73696 [0,0,1,1,0,0|2,0,0]=4 52 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,0,1,0,1,0|2,0,0]=4 53 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,0,1,0|1,0,1]=4 54 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,0,1,0|2,0,0]=4