0 B9R1.35 C1[C@H](N=C(S1)N)C(=O)O un369 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 CC(=O)c1ccoc1 f001 [1,0,0,0,0,0|1,1,0]=3 2 B8R1.7 c1c[nH]nc1C(=O)O a078 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.7 c1csc(n1)C(=O)O a079 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.7 c1cscc1[N+](=O)[O-] un070lit3 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.13 Cc1ccc(nc1)C(=O)N cdp147fp1 [0,0,0,0,0,1|3,0,0]=4 6 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,0,0,0,0,1|2,0,0]=3 7 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,0,0,0,0,1|3,0,0]=4 8 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,0,0,0,0,1|1,1,0]=3 9 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,0,0,0,0,1|1,1,0]=3 10 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,0,0,0,0,1|1,1,0]=3 11 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [0,0,0,0,0,1|2,0,0]=3 12 B10R1.13 c1cc(ncc1F)C(=O)N cdp187fp8 [0,0,0,0,0,1|2,1,0]=4 13 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,0,0,0,0,1|1,1,0]=3 14 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,0,0,0,0,1|1,1,0]=3 15 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.113 CC(=O)c1cc(ccn1)Br cdp113fp9 [0,0,0,0,0,1|2,1,0]=4 19 B10R1.113 Cc1cc(ccn1)C(=O)N cdp082fp3 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.113 Cc1cc(cnc1)C(=O)N cdp225de1 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.113 Cc1ccnc(c1)C(=O)N cdp081fp3 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [0,0,0,0,0,1|2,0,0]=3 25 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [0,0,0,0,0,1|1,1,0]=3 26 B10R1.113 c1c(cncc1Cl)C(=O)N cdp104vp1de11 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [0,0,0,0,0,1|1,0,0]=2 28 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] cdp238 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.113 c1c(cncc1F)C(=O)N cdp221fp3 [0,0,0,0,0,1|2,1,0]=4 30 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [0,0,0,0,0,1|1,1,0]=3 31 B10R1.113 c1c(cncc1N)C(=O)N cdp240fp2 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [0,0,0,0,0,1|2,1,0]=4 35 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [0,0,0,0,0,1|2,1,0]=4 37 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.113 c1cnc(cc1Br)C(=O)N cdp113fp7 [0,0,0,0,0,1|2,1,0]=4 39 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [0,0,0,0,0,1|1,1,0]=3 40 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [0,0,0,0,0,1|1,1,0]=3 41 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [0,0,0,0,0,1|1,1,0]=3 42 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [0,0,0,0,0,1|2,0,0]=3 44 B10R1.113 c1cnc(cc1Cl)C(=O)N cdp104vp1 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [0,0,0,0,0,1|1,0,0]=2 46 B10R1.113 c1cnc(cc1Cl)[N+](=O)[O-] cdp127 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.113 c1cnc(cc1F)C(=O)O un200 [0,0,0,0,0,1|1,1,0]=3 48 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [0,0,0,0,0,1|2,0,0]=3 50 B7R0.6 C\C(=C\CC(=O)O)\Cl bio046 [1,0,1,0,0,0|0,0,2]=4 51 B7R1.1 C=Cc1ccsc1 a214 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.2 Cc1cc(cs1)N un070de2 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.22 C(=O)c1c(nc(s1)Cl)Cl a116 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.11 c1cscc1C(=O)C=O wh081de4 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.3 CCc1ccc(nc1)C(=O)O ct080 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.3 COc1ccc(nc1)C(=O)O cdp317 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.3 c1cc(ncc1C#N)C(=O)O cin119de2 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.3 c1cc(ncc1C(=O)O)NN a252vp1 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.3 c1cc(ncc1CCl)C(=O)O cdp183de2 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.3 c1cc(ncc1NO)C(=O)O cdp165fp3 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl cdp159 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl rp211de38 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.21 Cc1c(ccc(n1)C(=O)O)I rp211de34 [0,1,0,0,0,1|1,1,0]=4 64 B11R1.21 Cc1cc(cnc1C)C(=O)O ct077de1 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.21 Cc1ccc(nc1C)C(=O)O rp126 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.21 c1c(=O)c(c[nH]c1C(=O)O)O un165lit2 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O un145 [0,1,0,0,0,1|1,1,0]=4 68 B11R1.21 c1c(cnc(c1Br)I)C(=O)O cdp240vp1fp4 [0,1,0,0,0,1|1,1,0]=4 69 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O acp005 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.21 c1cc(c(cc1C(=O)O)Br)N ps016 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.21 c1cc(nc(c1Br)N)C(=O)O cdp104fp6de28 [0,1,0,0,0,1|1,1,0]=4 72 B11R1.21 c1cc(nc(c1Br)O)C(=O)O cdp236vp3de2 [0,1,0,0,0,1|1,1,0]=4 73 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O cdp104fp6de27 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O ct074fp8a [0,1,0,0,0,1|2,0,0]=4 75 B11R1.21 c1cc(nc(c1O)I)C(=O)O ct074fp6 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.22 CNC(=O)c1ccc(cn1)Cl cdp183fp7 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.22 COC(=O)c1ccc(cn1)F cdp187fp1 [0,1,0,0,0,1|1,1,0]=4 78 B11R1.22 COC(=O)c1ccc(cn1)I ct255fp8de5 [0,1,0,0,0,1|1,1,0]=4 79 B11R1.22 COC(=O)c1ccc(cn1)O ct074fp7 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.22 COC(=O)c1ccc(nc1)I cdp263fp1de26 [0,1,0,0,0,1|1,1,0]=4 81 B11R1.22 Cc1ccc(nc1)C(=O)OC fpzz0294fp1 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.166 Cc1c(ccc(n1)N)C(=O)O rp107 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.166 Cc1cc(c(nc1)C(=O)O)C cdp147de2 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.166 Cc1cc(ncc1C(=O)O)C ct077 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.166 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 [0,1,0,0,0,1|1,1,0]=4 86 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br pic009 [0,1,0,0,0,1|1,1,0]=4 88 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.23 CNC(=O)c1cc(ccn1)Cl cdp104vp1de1 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.23 COC(=O)c1cc(ccn1)Br cdp113fp2 [0,1,0,0,0,1|1,1,0]=4 92 B11R1.23 COC(=O)c1cc(ccn1)Cl un125vp1 [0,1,0,0,0,1|1,0,0]=3 93 B11R1.23 COC(=O)c1cc(ccn1)O cdp263fp1de16 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.23 COC(=O)c1cc(cnc1)Cl ct036fp1 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.23 COC(=O)c1cc(cnc1)F cdp221fp1 [0,1,0,0,0,1|1,1,0]=4 96 B11R1.23 COC(=O)c1cc(cnc1)I ct255fp8de4 [0,1,0,0,0,1|1,1,0]=4 97 B11R1.23 COC(=O)c1cc(cnc1)N cdp240fp3 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.23 COC(=O)c1ccnc(c1)I ct255fp8de8 [0,1,0,0,0,1|1,1,0]=4 99 B11R1.23 Cc1cc(ccn1)C(=O)OC cdp082fp1 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.23 Cc1ccnc(c1)C(=O)OC cdp081fp1 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br rp211de2 [0,1,0,0,0,1|1,1,0]=4 102 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl rp211 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.74 Cc1cc(cc(n1)C)C(=O)O cia036de1 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.74 Cc1cc(nc(c1)C(=O)O)C rp211de4 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.74 c1c(c[n+](cc1F)[O-])C(=O)O cdp221fp2 [0,1,0,0,0,1|1,1,0]=4 106 B11R1.74 c1c(cc(nc1C(=O)O)O)Cl cdp108de8 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.159 Cc1c(c(ccn1)C(=O)O)N cin106de3 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.159 Cc1cncc(c1C)C(=O)O ct077de4 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.159 c1c(c(c(cn1)Br)I)C(=O)O cdp240vp1fp3 [0,1,0,0,0,1|1,1,0]=4 110 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O cdp268fp3 [0,1,0,0,0,1|1,1,0]=4 111 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O dap036 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl cin017 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.159 c1cnc(c(c1C(=O)O)Br)O cdp236vp3de4 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl cin105 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F rp022 [0,1,0,0,0,1|1,1,0]=4 116 B11R1.159 c1cnc(c(c1C(=O)O)F)F rp011 [0,1,0,0,0,1|1,1,0]=4 117 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl cin106de5 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.167 Cc1cc(c(cn1)N)C(=O)O cin106de4 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O rp124 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.167 Cc1cc(c(nc1)F)C(=O)O un206 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.167 c1c(c(cnc1F)F)C(=O)O rp151 [0,1,0,0,0,1|1,1,0]=4 122 B11R1.167 c1c(cnc(c1C(=O)O)F)F rp010 [0,1,0,0,0,1|1,1,0]=4 123 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl un204 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.266 CCc1ccnc(c1)C(=O)O cdp147de1 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.266 c1cc(cc(c1)C(=O)O)CO tv010 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.266 c1cnc(cc1C(=O)O)C#N cin119 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.266 c1cnc(cc1C(=O)O)CN cin119fp1 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.266 c1cnc(cc1C(=O)O)NN a252vp1de2 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.266 c1cnc(cc1C(=O)O)NN a252vp1de3 [0,1,0,0,0,1|2,0,0]=4 130 B11R2.139 C1=C2C(=CC(=O)S2)SC1=O hs049fp4 [0,0,0,1,0,1|2,0,0]=4 131 B9R1.2 Cc1cc(ccn1)C=O cia032 [1,0,0,0,0,1|2,0,0]=4 132 B9R1.2 c1c(cncc1O)C=O cia038de1 [1,0,0,0,0,1|2,0,0]=4 133 B9R1.2 c1cnc(cc1Br)C=O cdp113fp1 [1,0,0,0,0,1|1,1,0]=4 134 B9R1.2 c1cnc(cc1C=O)Br cia021 [1,0,0,0,0,1|1,1,0]=4 135 B9R1.2 c1cnc(cc1C=O)Cl cia025 [1,0,0,0,0,1|1,0,0]=3 136 B9R1.2 c1cnc(cc1C=O)F cia020 [1,0,0,0,0,1|1,1,0]=4 137 B9R1.2 c1cnc(cc1C=O)O cia015 [1,0,0,0,0,1|2,0,0]=4 138 B9R1.2 c1cnc(cc1Cl)C=O un125 [1,0,0,0,0,1|1,0,0]=3 139 B11R1.157 CC(=O)Nc1cc(ccn1)Cl cdp104fp1 [0,0,0,0,0,2|2,0,0]=4 140 B11R1.157 c1cnc(cc1Cl)NC(=O)N cdp112fp23 [0,0,0,0,0,2|2,0,0]=4