0 B10R1.113 C1C(C=CC=C1C(=O)O)N tj021 [0,0,0,1,0,0|2,0,1]=4 1 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [0,0,0,1,0,0|3,0,0]=4 2 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [0,0,0,1,0,0|3,0,0]=4 3 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [0,0,0,1,0,0|3,0,0]=4 4 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [0,0,0,1,0,0|3,0,0]=4 5 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [0,0,0,1,0,0|2,1,0]=4 9 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [0,0,0,1,0,0|1,1,0]=3 13 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [0,0,0,1,0,0|2,1,0]=4 18 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.113 c1cnc(cc1F)C(=O)O un200 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [0,0,0,1,0,0|2,1,0]=4 22 B7R0.1 C(=C\C=O)/C=C/C=O tox013 [2,0,0,0,0,0|0,0,0]=2 23 B9R0.53 C\C(=C/C(=O)O)\CC(=O)O a168 [0,1,0,0,1,0|0,0,1]=3 24 B9R1.2 c1c(cncc1O)C=O cia038de1 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.2 c1cc(nc(c1)O)C=O un195 [1,0,0,1,0,0|1,0,0]=3 26 B9R1.2 c1cnc(cc1C=O)O cia015 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.6 c1cc(nnc1)C(=O)O a065 [1,0,0,1,0,0|2,0,0]=4 28 B11R1.157 CC(=O)Nc1cccc(n1)O cdp194fp7 [0,0,0,1,0,1|2,0,0]=4 29 B11R1.178 c1csc(c1[N+](=O)[O-])C(=O)O un070lit2 [0,0,0,1,0,1|1,0,1]=4 30 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)O un333 [0,1,0,1,0,0|2,0,0]=4 31 B11R1.23 COC(=O)c1cc(ccn1)O cdp263fp1de16 [0,1,0,1,0,0|2,0,0]=4 32 B11R1.23 COC(=O)c1cccc(n1)N cdp203fp2 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.159 c1cnc(c(c1C(=O)O)Br)O cdp236vp3de4 [0,1,0,1,0,0|2,0,0]=4 34 B11R1.266 CC(=O)c1cccc(n1)CO cia036lit3de10 [0,1,0,1,0,0|2,0,0]=4 35 B11R1.266 CCc1cccc(n1)C(=O)O cdp147de3 [0,1,0,1,0,0|2,0,0]=4 36 B11R1.266 c1cc(cc(c1)C(=O)O)CO tv010 [0,1,0,1,0,0|1,0,0]=3 37 B11R1.266 c1cc(nc(c1)C(=O)O)C#N cin119de3 [0,1,0,1,0,0|2,0,0]=4 38 B11R1.266 c1cc(nc(c1)C(=O)O)C=O rp040 [0,1,0,1,0,0|1,0,0]=3 39 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br rp211de2 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl rp211 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.74 Cc1cc(nc(c1)C(=O)O)C rp211de4 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.74 c1c(cc(nc1C(=O)O)O)Cl cdp108de8 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl rp211de40 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.167 Cc1ccc(c(n1)C(=O)O)I rp211de7 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl rp211de38 [0,1,0,1,0,0|2,0,0]=4 46 B11R1.21 Cc1c(ccc(n1)C(=O)O)I rp211de34 [0,1,0,1,0,0|2,0,0]=4 47 B11R1.21 Cc1ccc(nc1C)C(=O)O rp126 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.21 c1c(=O)c(c[nH]c1C(=O)O)O un165lit2 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.21 c1cc(c(cc1C(=O)O)Br)N ps016 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.21 c1cc(nc(c1Br)N)C(=O)O cdp104fp6de28 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.21 c1cc(nc(c1Br)O)C(=O)O cdp236vp3de2 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O cdp104fp6de27 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O ct074fp8a [0,1,0,1,0,0|2,0,0]=4 54 B11R1.21 c1cc(nc(c1O)I)C(=O)O ct074fp6 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.175 c1cc(oc1C(=O)O)C(=O)O lf001 [0,1,0,1,0,0|0,0,0]=2 56 B11R2.139 C1=C2C(=CC(=O)S2)SC1=O hs049fp4 [0,0,0,2,0,0|0,2,0]=4