0 B12R2.252 CC(=O)c1sc2c(c1)scc2 1P01A1FF [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 OB(c1sc2c(c1)scc2)O 1P001S2W [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 OC(=O)C1Cc2c(S1)snn2 1P0281IY [0,0,0,0,0,0|3,0,1]=4 3 B12R2.252 OC(=O)c1[nH]c2c(c1)CCC2 1P01A5O5 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.252 OC(=O)c1cc2c([nH]1)cco2 1P00FCK9 [0,0,0,0,0,0|1,1,0]=2 5 B12R2.252 OC(=O)c1cc2c([nH]1)ccs2 1P0077OU [0,0,0,0,0,0|1,0,0]=1 6 B12R2.252 OC(=O)c1cc2c([nH]1)ncs2 1P00037H [0,0,0,0,0,0|0,0,0]=0 7 B12R2.252 OC(=O)c1cc2c([nH]1)scc2 1P00DKBL [0,0,0,0,0,0|2,0,0]=2 8 B12R2.252 OC(=O)c1cc2c([nH]1)scn2 1P00927R [0,0,0,0,0,0|2,0,0]=2 9 B12R2.252 OC(=O)c1cc2c(s1)[nH]nc2 1P01C9SU [0,0,0,0,0,0|3,0,1]=4 10 B12R2.252 OC(=O)c1cc2c(s1)cco2 1P01AK4O [0,0,0,0,0,0|2,1,0]=3 11 B12R2.252 OC(=O)c1cc2c(s1)occ2 1P01JX8B [0,0,0,0,0,0|3,0,0]=3 12 B12R2.252 OC(=O)c1cc2c(s1)scc2 1P007KLM [0,0,0,0,0,0|3,0,0]=3 13 B12R2.252 OC(=O)c1cc2n(n1)ccs2 1P01FJCP [0,0,0,0,0,0|2,0,1]=3 14 B12R2.252 OC(=O)c1cn2c(n1)cc[nH]2 1P00GSX6 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.252 OC(=O)c1cn2c(n1)scc2 1P00DEX1 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.252 OC(=O)c1cn2c(s1)ncc2 1P008NKN [0,0,0,0,0,0|3,0,0]=3 17 B12R2.252 OC(=O)c1cn2c(s1)ncc2 1P028OEG [0,0,0,0,0,0|3,0,0]=3 18 B12R2.252 OC(=O)c1oc2c(c1)[nH]cc2 1P028VAL [0,0,0,0,0,0|3,0,0]=3 19 B12R2.252 OC(=O)c1sc2c(c1)CCC2 1P0075IV [0,0,0,0,0,0|3,0,1]=4 20 B12R2.252 OC(=O)c1sc2c(c1)CNC2 1P0283AH [0,0,0,0,0,0|4,0,0]=4 21 B12R2.252 OC(=O)c1sc2c(c1)CSC2 1P003L07 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.252 OC(=O)c1sc2c(c1)[nH]cc2 1P00037G [0,0,0,0,0,0|3,0,0]=3 23 B12R2.252 OC(=O)c1sc2c(c1)[nH]nc2 1P000WI2 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.252 OC(=O)c1sc2c(c1)csc2 1P001EC6 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.252 OC(=O)c1sc2c(c1)scc2 1P007WK4 [0,0,0,0,0,0|2,0,0]=2 26 B11R2.15 O=Cc1cc2c([nH]1)ccs2 1P028MK0 [1,0,0,0,0,0|1,0,0]=2 27 B11R2.15 O=Cc1cc2c(s1)cco2 1P028VPQ [1,0,0,0,0,0|2,1,0]=4 28 B11R2.15 O=Cc1cn2c(s1)ncc2 1P01BIFF [1,0,0,0,0,0|3,0,0]=4 29 B11R2.15 O=Cc1sc2c(c1)scc2 1P003V8Q [1,0,0,0,0,0|2,0,0]=3 30 B11R2.15 OCc1cc2c([nH]1)ccs2 1P00H2RQ [1,0,0,0,0,0|1,0,1]=3 31 B11R2.15 OCc1sc2c(c1)scc2 1P01XFFU [1,0,0,0,0,0|2,0,1]=4 32 B13R2.400 Brc1cc2c(s1)[nH]c(c2)C(=O)O 1P01A81N [0,1,0,0,0,0|2,0,0]=3 33 B13R2.400 Brc1cc2c(s1)cc(s2)C(=O)O 1P019WGI [0,1,0,0,0,0|2,0,0]=3 34 B13R2.400 Brc1cc2c(s1)sc(c2)C(=O)O 1P01FIYT [0,1,0,0,0,0|3,0,0]=4 35 B13R2.400 Brc1nc2c(s1)[nH]c(c2)C(=O)O 1P00H2WP [0,1,0,0,0,0|2,0,0]=3 36 B13R2.400 Brc1oc2c(c1)[nH]c(c2)C(=O)O 1P00CJVQ [0,1,0,0,0,0|1,1,0]=3 37 B13R2.400 Brc1oc2c(c1)sc(c2)C(=O)O 1P028ZWQ [0,1,0,0,0,0|2,1,0]=4 38 B13R2.400 Brc1sc2c(c1)[nH]c(c2)C(=O)O 1P01DTUO [0,1,0,0,0,0|1,0,0]=2 39 B13R2.400 Cc1cc2c(s1)cc(s2)C(=O)O 1P01DX2L [0,1,0,0,0,0|2,0,0]=3 40 B13R2.400 Cc1cn2c(n1)sc(c2)C(=O)O 1P01A1VB [0,1,0,0,0,0|3,0,0]=4 41 B13R2.400 Cc1cn2c(n1)sc(c2)C(=O)O 1P01DWD6 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.400 Cc1nc2c(s1)[nH]c(c2)C(=O)O 1P019QN2 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.400 Cc1nn2c(s1)nc(c2)C(=O)O 1P019ZHP [0,1,0,0,0,0|3,0,0]=4 44 B13R2.400 Cc1oc2c(c1)[nH]c(c2)C(=O)O 1P00G32T [0,1,0,0,0,0|1,1,0]=3 45 B13R2.400 Cc1sc2c(c1)[nH]c(c2)C(=O)O 1P00BZ4D [0,1,0,0,0,0|1,0,0]=2 46 B13R2.400 Cc1sc2c(n1)[nH]c(c2)C(=O)O 1P01K08S [0,1,0,0,0,0|0,0,0]=1 47 B13R2.400 Clc1cc2c(s1)[nH]c(c2)C(=O)O 1P01AEFO [0,1,0,0,0,0|2,0,0]=3 48 B13R2.400 Clc1cc2c(s1)cc(s2)C(=O)O 1P01DX2K [0,1,0,0,0,0|2,0,0]=3 49 B13R2.400 Clc1oc2c(c1)[nH]c(c2)C(=O)O 1P028KKH [0,1,0,0,0,0|1,1,0]=3 50 B13R2.400 Clc1sc2c(c1)[nH]c(c2)C(=O)O 1P00I6XK [0,1,0,0,0,0|1,0,0]=2 51 B13R2.400 Fc1sc2c(c1)[nH]c(c2)C(=O)O 1P028B31 [0,1,0,0,0,0|1,0,0]=2 52 B13R2.400 Nc1nc2c(s1)cc(s2)C(=O)O 1P002NPN [0,1,0,0,0,0|1,0,0]=2 53 B13R2.400 Nc1nc2c(s1)cc(s2)C(=O)O 1P01C3XE [0,1,0,0,0,0|1,0,0]=2 54 B13R2.400 OC(=O)c1cn2c(n1)sc(n2)Br 1P0013LP [0,1,0,0,0,0|3,0,0]=4 55 B13R2.400 OC(=O)c1cn2c(n1)sc(n2)Br 1P01FT13 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.531 COC(=O)c1cc2c([nH]1)cco2 1P005U8P [0,1,0,0,0,0|1,1,0]=3 57 B13R2.531 COC(=O)c1cc2c([nH]1)ccs2 1P00G3BG [0,1,0,0,0,0|1,0,0]=2 58 B13R2.531 COC(=O)c1cc2c([nH]1)ncs2 1P01BDGW [0,1,0,0,0,0|0,0,0]=1 59 B13R2.531 COC(=O)c1cc2c([nH]1)scc2 1P0081LR [0,1,0,0,0,0|2,0,0]=3 60 B13R2.531 COC(=O)c1cn2c(s1)ncc2 1P01EI9G [0,1,0,0,0,0|3,0,0]=4 61 B13R2.531 COC(=O)c1sc2c(c1)[nH]cc2 1P01K0PI [0,1,0,0,0,0|3,0,0]=4 62 B13R2.531 COC(=O)c1sc2c(c1)scc2 1P006QYP [0,1,0,0,0,0|2,0,0]=3 63 B13R2.531 COC(=O)c1sc2c(c1)scn2 1P00I3AE [0,1,0,0,0,0|1,0,0]=2 64 B13R2.2334 Cc1c(sc2n1ccn2)C(=O)O 1P0005S6 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.2334 OC(=O)c1cc2c(n1C)cco2 1P008UHS [0,1,0,0,0,0|1,1,0]=3 66 B13R2.2334 OC(=O)c1cc2c(n1C)ccs2 1P008HE8 [0,1,0,0,0,0|1,0,0]=2 67 B13R2.2334 OC(=O)c1cc2c(n1C)scc2 1P027SE5 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.2334 OC(=O)c1sc2c(c1C)scc2 1P019NC4 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.2334 OC(=O)c1sc2c(c1Cl)ccs2 1P0076DY [0,1,0,0,0,0|3,0,0]=4 70 B13R2.3678 OC(=O)c1[nH]c2c(c1)n(cc2)C 1P01BCUN [0,1,0,0,0,0|2,0,0]=3 71 B13R2.3678 OC(=O)c1[nH]c2c(c1)n(cn2)C 1P028L44 [0,1,0,0,0,0|1,0,0]=2 72 B13R2.3678 OC(=O)c1cc2c([nH]1)c(co2)Br 1P00C94M [0,1,0,0,0,0|1,1,0]=3 73 B13R2.3678 OC(=O)c1cc2c([nH]1)c(cs2)Br 1P00BYXP [0,1,0,0,0,0|1,0,0]=2 74 B13R2.3678 OC(=O)c1cc2c([nH]1)c(cs2)C 1P01XFSQ [0,1,0,0,0,0|1,0,0]=2 75 B13R2.3678 OC(=O)c1cc2c([nH]1)c(cs2)Cl 1P00VTMH [0,1,0,0,0,0|1,0,0]=2 76 B13R2.3678 OC(=O)c1cc2c(s1)c(cs2)Br 1P01A577 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.3678 OC(=O)c1cn2c(s1)ncc2Br 1P01BGKE [0,1,0,0,0,0|3,0,0]=4 78 B13R2.3678 OC(=O)c1sc2c(c1)c(sn2)C 1P00G7ZR [0,1,0,0,0,0|3,0,0]=4 79 B13R2.3678 OC(=O)c1sc2c(c1)n(cc2)C 1P028420 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.3678 OC(=O)c1sc2c(c1)n(cn2)C 1P028GKK [0,1,0,0,0,0|2,0,0]=3 81 B11R1.35 C\C(=C/c1c[nH]cn1)\C(=O)O 1P01FIJ6 [0,0,1,0,0,0|2,0,1]=4 82 B11R1.35 NC(C(=O)O)Cc1cnc[nH]1 1P00E9ZL [0,0,1,0,0,0|1,0,2]=4 83 B11R1.35 NC(C(=O)O)Cc1cncs1 1P01DK0P [0,0,1,0,0,0|0,0,2]=3 84 B11R1.35 NC(C(=O)O)Cc1cscn1 1P00AMU4 [0,0,1,0,0,0|2,0,1]=4 85 B11R1.35 NC(C(=O)O)Cc1ncsc1 1P00A1A8 [0,0,1,0,0,0|2,0,1]=4 86 B11R1.35 NC(C(=O)O)Cc1ocnc1 1P027XNQ [0,0,1,0,0,0|0,1,2]=4 87 B11R1.35 N[C@@H](C(=O)O)Cc1cscn1 1P0010BV [0,0,1,0,0,0|2,0,1]=4 88 B11R1.35 N[C@H](C(=O)O)Cc1cnc[nH]1 1P00IBU8 [0,0,1,0,0,0|1,0,2]=4 89 B11R1.35 N[C@H](C(=O)O)Cc1cscn1 1P000J75 [0,0,1,0,0,0|2,0,1]=4 90 B11R1.35 OC(=O)C(=C)Cn1cccn1 1P01B7C6 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.35 OC(=O)C(=Cc1c[nH]nc1)C 1P028K9C [0,0,1,0,0,0|3,0,0]=4 92 B11R1.35 OC(=O)C(=Cc1cscn1)F 1P0292VY [0,0,1,0,0,0|2,0,0]=3 93 B11R1.35 OC(=O)C(=O)Cc1cccs1 1P001O0W [0,0,1,0,0,0|2,0,1]=4 94 B11R1.35 OC(=O)C(=O)Cc1cscc1 1P01DWFH [0,0,1,0,0,0|3,0,0]=4 95 B11R1.35 OC(=O)C(=O)Nc1ncc[nH]1 1P01FKMY [0,0,1,0,0,0|3,0,0]=4 96 B11R1.35 OC(=O)C(=O)Nc1nccs1 1P0060X1 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.35 OC(=O)C(=O)Nc1nncs1 1P000VP8 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.35 OC(=O)C(Cc1cccs1)N 1P0028IX [0,0,1,0,0,0|1,0,2]=4 99 B11R1.35 OC(=O)[C@@H](Cc1cccs1)N 1P0037HH [0,0,1,0,0,0|1,0,2]=4 100 B11R1.35 OC(=O)[C@H](Cc1cccs1)N 1P002M55 [0,0,1,0,0,0|1,0,2]=4 101 B11R1.35 OC(=O)\C(=C\c1c[nH]cn1)\F 1P01FIHY [0,0,1,0,0,0|2,0,1]=4 102 B11R1.35 OC(=O)\C(=C\c1ccco1)\C 1P024KNL [0,0,1,0,0,0|2,1,0]=4 103 B11R1.35 OC(=O)\C(=C\c1cccs1)\C 1P01EMI9 [0,0,1,0,0,0|2,0,0]=3 104 B11R1.48 CSc1cc(oc1C)C(=O)O 1P01AIO0 [0,0,1,0,0,0|2,0,1]=4 105 B11R1.48 N#Cc1[nH]c(cc1C)C(=O)O 1P0284KT [0,0,1,0,0,0|3,0,0]=4 106 B11R1.90 Cc1ncsc1CCC(=O)O 1P00EE9J [0,0,1,0,0,0|1,0,2]=4 107 B11R1.90 Cc1ncsc1\C=C\C(=O)O 1P02928Z [0,0,1,0,0,0|1,0,0]=2 108 B11R1.90 Cc1nscc1\C=C\C(=O)O 1P027UVI [0,0,1,0,0,0|3,0,0]=4 109 B11R1.90 Cc1occc1\C=C\C(=O)O 1P01XC5Z [0,0,1,0,0,0|3,0,0]=4 110 B11R1.90 Cn1nccc1\C=C\C(=O)O 1P00KRS4 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.90 OC(=O)\C=C\c1ccsc1Br 1P028CZR [0,0,1,0,0,0|3,0,0]=4 112 B11R1.90 OC(=O)\C=C\c1sccc1Br 1P01S806 [0,0,1,0,0,0|2,0,0]=3 113 B11R1.90 OC(=O)\C=C\c1sccc1C 1P0008M1 [0,0,1,0,0,0|2,0,0]=3 114 B11R1.124 CCCc1ccc([nH]1)C(=O)O 1P01DVWB [0,0,1,0,0,0|2,0,1]=4 115 B11R1.124 COCC1=CC=C(N1)C(=O)O 1P01FWV4 [0,0,1,0,0,0|3,0,0]=4 116 B11R1.124 COCc1c[nH]c(c1)C(=O)O 1P01FLUM [0,0,1,0,0,0|3,0,0]=4 117 B13R2.430 CC(=O)c1ccc2c(c1)ccs2 1P00826C [0,0,0,0,0,1|3,0,0]=4 118 B13R2.430 CC(=O)c1ccc2c(c1)nc[nH]2 1P01BI04 [0,0,0,0,0,1|3,0,0]=4 119 B13R2.430 CC(=O)c1ccc2c(c1)nc[nH]2 1P0285FT [0,0,0,0,0,1|3,0,0]=4 120 B13R2.430 CC(=O)c1ccc2c(c1)ncs2 1P006FVG [0,0,0,0,0,1|2,0,0]=3 121 B13R2.430 CC(=O)c1ccc2c(c1)scn2 1P002CVW [0,0,0,0,0,1|2,0,0]=3 122 B13R2.430 CC(=O)c1cnc2c(c1)scc2 1P002892 [0,0,0,0,0,1|2,0,1]=4 123 B13R2.430 NC(=O)c1ccc2c(c1)[nH]cn2 1P000D8O [0,0,0,0,0,1|3,0,0]=4 124 B13R2.430 OB(c1ccc2c(c1)scn2)O 1P00DI4Q [0,0,0,0,0,1|2,0,1]=4 125 B13R2.430 OC(=O)C1=CNc2n(C1)ncn2 1P028O2Y [0,0,0,0,0,1|2,0,1]=4 126 B13R2.430 OC(=O)C1CCc2c(C1)scn2 1P028YP6 [0,0,0,0,0,1|1,0,2]=4 127 B13R2.430 OC(=O)C1Cc2c(CN1)nc[nH]2 1P00J3PP [0,0,0,0,0,1|1,0,2]=4 128 B13R2.430 OC(=O)C1NCc2c(C1)[nH]cn2 1P00J3F3 [0,0,0,0,0,1|1,0,2]=4 129 B13R2.430 OC(=O)C1NCc2c(C1)[nH]cn2 1P00J3WJ [0,0,0,0,0,1|1,0,2]=4 130 B13R2.430 OC(=O)c1cc2cc[nH]c2cn1 1P000UXP [0,0,0,0,0,1|1,0,2]=4 131 B13R2.430 OC(=O)c1cc2cc[nH]c2cn1 1P027UT2 [0,0,0,0,0,1|1,0,2]=4 132 B13R2.430 OC(=O)c1cc2cc[nH]c2nc1 1P00338S [0,0,0,0,0,1|1,0,2]=4 133 B13R2.430 OC(=O)c1cc2ccnn2cn1 1P027TQ8 [0,0,0,0,0,1|2,0,1]=4 134 B13R2.430 OC(=O)c1cc2ccoc2cn1 1P00DIBY [0,0,0,0,0,1|2,0,1]=4 135 B13R2.430 OC(=O)c1cc2ccoc2nc1 1P0017VQ [0,0,0,0,0,1|2,0,1]=4 136 B13R2.430 OC(=O)c1cc2ccsc2cn1 1P01JY1D [0,0,0,0,0,1|2,0,0]=3 137 B13R2.430 OC(=O)c1cc2ccsc2nc1 1P000EOP [0,0,0,0,0,1|2,0,0]=3 138 B13R2.430 OC(=O)c1cc2nc[nH]c2cn1 1P00M8EI [0,0,0,0,0,1|2,0,0]=3 139 B13R2.430 OC(=O)c1cc2nc[nH]c2nc1 1P002PDE [0,0,0,0,0,1|2,0,0]=3 140 B13R2.430 OC(=O)c1cc2ncsc2nc1 1P021RNP [0,0,0,0,0,1|1,0,0]=2 141 B13R2.430 OC(=O)c1cc2nn[nH]c2nc1 1P01A4KI [0,0,0,0,0,1|3,0,0]=4 142 B13R2.430 OC(=O)c1cc2nnsc2nc1 1P00EJO6 [0,0,0,0,0,1|2,0,0]=3 143 B13R2.430 OC(=O)c1cc2scnc2cn1 1P00HGFA [0,0,0,0,0,1|0,0,1]=2 144 B13R2.430 OC(=O)c1cc2scnc2nc1 1P01JJ1Z [0,0,0,0,0,1|0,0,1]=2 145 B13R2.430 OC(=O)c1ccc2c(c1)CCS2 1P0291WV [0,0,0,0,0,1|2,0,1]=4 146 B13R2.430 OC(=O)c1ccc2c(c1)[nH]cc2 1P0035HM [0,0,0,0,0,1|2,0,1]=4 147 B13R2.430 OC(=O)c1ccc2c(c1)[nH]cn2 1P001Q9K [0,0,0,0,0,1|2,0,0]=3 148 B13R2.430 OC(=O)c1ccc2c(c1)cc[nH]2 1P003RGY [0,0,0,0,0,1|2,0,1]=4 149 B13R2.430 OC(=O)c1ccc2c(c1)cco2 1P003EFO [0,0,0,0,0,1|2,1,0]=4 150 B13R2.430 OC(=O)c1ccc2c(c1)ccs2 1P002AXJ [0,0,0,0,0,1|2,0,0]=3 151 B13R2.430 OC(=O)c1ccc2c(c1)cns2 1P000Q3G [0,0,0,0,0,1|3,0,0]=4 152 B13R2.430 OC(=O)c1ccc2c(c1)n[nH]n2 1P00I9BW [0,0,0,0,0,1|3,0,0]=4 153 B13R2.430 OC(=O)c1ccc2c(c1)nco2 1P001NKT [0,0,0,0,0,1|1,1,0]=3 154 B13R2.430 OC(=O)c1ccc2c(c1)ncs2 1P00FB9E [0,0,0,0,0,1|1,0,0]=2 155 B13R2.430 OC(=O)c1ccc2c(c1)nn[nH]2 1P003OJL [0,0,0,0,0,1|3,0,0]=4 156 B13R2.430 OC(=O)c1ccc2c(c1)nns2 1P00APZS [0,0,0,0,0,1|2,0,0]=3 157 B13R2.430 OC(=O)c1ccc2c(c1)non2 1P002FSI [0,0,0,0,0,1|3,0,0]=4 158 B13R2.430 OC(=O)c1ccc2c(c1)nsn2 1P001V2G [0,0,0,0,0,1|3,0,0]=4 159 B13R2.430 OC(=O)c1ccc2c(c1)occ2 1P00G5ZS [0,0,0,0,0,1|2,1,0]=4 160 B13R2.430 OC(=O)c1ccc2c(c1)ocn2 1P003DXU [0,0,0,0,0,1|1,1,0]=3 161 B13R2.430 OC(=O)c1ccc2c(c1)scc2 1P00EKP3 [0,0,0,0,0,1|2,0,0]=3 162 B13R2.430 OC(=O)c1ccc2c(c1)scn2 1P0034YQ [0,0,0,0,0,1|1,0,0]=2 163 B13R2.430 OC(=O)c1ccc2c(c1)snc2 1P00054T [0,0,0,0,0,1|3,0,0]=4 164 B13R2.430 OC(=O)c1ccc2c(n1)[nH]cc2 1P003NTV [0,0,0,0,0,1|1,0,2]=4 165 B13R2.430 OC(=O)c1ccc2c(n1)[nH]cn2 1P0006DL [0,0,0,0,0,1|1,0,2]=4 166 B13R2.430 OC(=O)c1ccc2c(n1)cc[nH]2 1P00GTBV [0,0,0,0,0,1|2,0,1]=4 167 B13R2.430 OC(=O)c1ccc2c(n1)cco2 1P00EGJI [0,0,0,0,0,1|1,1,1]=4 168 B13R2.430 OC(=O)c1ccc2c(n1)ccs2 1P00EF3G [0,0,0,0,0,1|1,0,1]=3 169 B13R2.430 OC(=O)c1ccc2c(n1)nco2 1P01AG83 [0,0,0,0,0,1|0,1,1]=3 170 B13R2.430 OC(=O)c1ccc2c(n1)occ2 1P002FEQ [0,0,0,0,0,1|2,0,1]=4 171 B13R2.430 OC(=O)c1ccc2c(n1)scn2 1P000UXG [0,0,0,0,0,1|2,0,0]=3 172 B13R2.430 OC(=O)c1ccc2n(c1)ccn2 1P000WQI [0,0,0,0,0,1|3,0,0]=4 173 B13R2.430 OC(=O)c1ccc2n(c1)ccn2 1P001AIC [0,0,0,0,0,1|3,0,0]=4 174 B13R2.430 OC(=O)c1ccc2n(c1)ncc2 1P003B92 [0,0,0,0,0,1|3,0,0]=4 175 B13R2.430 OC(=O)c1ccc2n(c1)ncn2 1P0038TP [0,0,0,0,0,1|3,0,0]=4 176 B13R2.430 OC(=O)c1ccc2n(n1)ncn2 1P027X58 [0,0,0,0,0,1|2,0,1]=4 177 B13R2.430 OC(=O)c1ccn2c(c1)ccn2 1P007YH4 [0,0,0,0,0,1|3,0,0]=4 178 B13R2.430 OC(=O)c1ccn2c(c1)ncc2 1P006U4Z [0,0,0,0,0,1|3,0,0]=4 179 B13R2.430 OC(=O)c1ccn2c(c1)ncc2 1P00HWX6 [0,0,0,0,0,1|3,0,0]=4 180 B13R2.430 OC(=O)c1ccn2c(c1)ncn2 1P000L33 [0,0,0,0,0,1|3,0,0]=4 181 B13R2.430 OC(=O)c1ccn2c(n1)ncc2 1P028N5F [0,0,0,0,0,1|2,0,1]=4 182 B13R2.430 OC(=O)c1cn2ccnc2cn1 1P00GAUK [0,0,0,0,0,1|2,0,1]=4 183 B13R2.430 OC(=O)c1cn2ccnc2cn1 1P01OTXW [0,0,0,0,0,1|2,0,1]=4 184 B13R2.430 OC(=O)c1cn2ccnc2nc1 1P00IIOI [0,0,0,0,0,1|2,0,1]=4 185 B13R2.430 OC(=O)c1cnc2c(c1)[nH]cc2 1P008STD [0,0,0,0,0,1|2,0,1]=4 186 B13R2.430 OC(=O)c1cnc2c(c1)occ2 1P0017VO [0,0,0,0,0,1|1,1,1]=4 187 B13R2.430 OC(=O)c1cnc2c(c1)scc2 1P000EOO [0,0,0,0,0,1|1,0,1]=3 188 B13R2.430 OC(=O)c1cnc2c(n1)[nH]cc2 1P01JI4F [0,0,0,0,0,1|1,0,2]=4 189 B13R2.430 OC(=O)c1cnc2c(n1)cc[nH]2 1P01JUM5 [0,0,0,0,0,1|2,0,1]=4 190 B13R2.430 OC(=O)c1cnc2c(n1)ccs2 1P028ZKH [0,0,0,0,0,1|1,0,1]=3 191 B13R2.430 OC(=O)c1cnc2n(c1)ncc2 1P00II1Z [0,0,0,0,0,1|3,0,0]=4 192 B13R2.430 OC(=O)c1ncc2c(c1)[nH]cc2 1P008Y76 [0,0,0,0,0,1|2,0,1]=4 193 B13R2.430 OC(=O)c1ncc2c(c1)nc[nH]2 1P028PJM [0,0,0,0,0,1|2,0,0]=3 194 B13R2.430 OC(=O)c1ncc2c(c1)scc2 1P019XQN [0,0,0,0,0,1|1,0,1]=3 195 B13R2.430 OC(=O)c1ncc2c(n1)[nH]cc2 1P01CAW7 [0,0,0,0,0,1|1,0,2]=4 196 B13R2.430 [O-][N+](=O)c1ccc2c(c1)ncs2 1P002YSP [0,0,0,0,0,1|2,0,1]=4 197 B13R2.430 [O-][N+](=O)c1ccc2c(c1)scn2 1P002YSQ [0,0,0,0,0,1|2,0,1]=4 198 B13R2.435 CC(=O)c1cc2c([nH]1)cccc2 1P00C9SG [0,0,0,0,0,1|3,0,0]=4 199 B13R2.435 CC(=O)c1cc2c(s1)cncc2 1P01B64U [0,0,0,0,0,1|3,0,0]=4 200 B13R2.435 NC(=O)c1cc2c([nH]1)cccc2 1P00ADK0 [0,0,0,0,0,1|3,0,0]=4 201 B13R2.435 NC(=O)c1cc2c([nH]1)ccnc2 1P00IE3S [0,0,0,0,0,1|3,0,0]=4 202 B13R2.435 NC(=O)c1cc2c([nH]1)nccc2 1P00BI6B [0,0,0,0,0,1|2,0,0]=3 203 B13R2.435 OB(c1cc2c([nH]1)nccc2)O 1P00IL5M [0,0,0,0,0,1|2,0,1]=4 204 B13R2.435 OC(=O)C1=Cc2c(C1)cccc2 1P003EV3 [0,0,0,0,0,1|3,0,0]=4 205 B13R2.435 OC(=O)C1Cc2c(N1)cncc2 1P027UHI [0,0,0,0,0,1|1,0,2]=4 206 B13R2.435 OC(=O)C1Cc2c(N1)nccc2 1P018JLE [0,0,0,0,0,1|1,0,2]=4 207 B13R2.435 OC(=O)c1cc2c([nH]1)CCCC2 1P000W49 [0,0,0,0,0,1|2,0,1]=4 208 B13R2.435 OC(=O)c1cc2c([nH]1)CCOC2 1P01A5TR [0,0,0,0,0,1|1,1,1]=4 209 B13R2.435 OC(=O)c1cc2c([nH]1)cccc2 1P001FKR [0,0,0,0,0,1|2,0,0]=3 210 B13R2.435 OC(=O)c1cc2c([nH]1)cccn2 1P00ACTM [0,0,0,0,0,1|2,0,0]=3 211 B13R2.435 OC(=O)c1cc2c([nH]1)ccnc2 1P005DZ5 [0,0,0,0,0,1|2,0,0]=3 212 B13R2.435 OC(=O)c1cc2c([nH]1)ccnc2 1P01C0N9 [0,0,0,0,0,1|2,0,0]=3 213 B13R2.435 OC(=O)c1cc2c([nH]1)cncc2 1P00BDPF [0,0,0,0,0,1|1,0,0]=2 214 B13R2.435 OC(=O)c1cc2c([nH]1)cncn2 1P00GA8Q [0,0,0,0,0,1|1,0,0]=2 215 B13R2.435 OC(=O)c1cc2c([nH]1)nccc2 1P003EVI [0,0,0,0,0,1|1,0,0]=2 216 B13R2.435 OC(=O)c1cc2c([nH]1)nccc2 1P01C3IY [0,0,0,0,0,1|1,0,0]=2 217 B13R2.435 OC(=O)c1cc2c([nH]1)nccn2 1P01FTMY [0,0,0,0,0,1|1,0,0]=2 218 B13R2.435 OC(=O)c1cc2c([nH]1)ncnc2 1P0005GK [0,0,0,0,0,1|1,0,0]=2 219 B13R2.435 OC(=O)c1cc2c(o1)cccc2 1P00DE9E [0,0,0,0,0,1|3,0,0]=4 220 B13R2.435 OC(=O)c1cc2c(o1)cccn2 1P008W7T [0,0,0,0,0,1|3,0,0]=4 221 B13R2.435 OC(=O)c1cc2c(o1)ccnc2 1P008UTR [0,0,0,0,0,1|3,0,0]=4 222 B13R2.435 OC(=O)c1cc2c(o1)cncc2 1P008UQV [0,0,0,0,0,1|2,0,0]=3 223 B13R2.435 OC(=O)c1cc2c(o1)nccc2 1P00CA4G [0,0,0,0,0,1|2,0,0]=3 224 B13R2.435 OC(=O)c1cc2c(s1)CCSC2 1P01A0DR [0,0,0,0,0,1|2,0,1]=4 225 B13R2.435 OC(=O)c1cc2c(s1)cccc2 1P003V8K [0,0,0,0,0,1|3,0,0]=4 226 B13R2.435 OC(=O)c1cc2c(s1)cccn2 1P007D2Y [0,0,0,0,0,1|3,0,0]=4 227 B13R2.435 OC(=O)c1cc2c(s1)ccnc2 1P00GWGG [0,0,0,0,0,1|3,0,0]=4 228 B13R2.435 OC(=O)c1cc2c(s1)cncc2 1P0037W0 [0,0,0,0,0,1|2,0,0]=3 229 B13R2.435 OC(=O)c1cc2c(s1)nccc2 1P00EE7T [0,0,0,0,0,1|2,0,0]=3 230 B13R2.435 OC(=O)c1cc2c(s1)ncnc2 1P00AAZN [0,0,0,0,0,1|2,0,0]=3 231 B13R2.435 OC(=O)c1cn2c(c1)cccn2 1P003ALE [0,0,0,0,0,1|3,0,0]=4 232 B13R2.435 OC(=O)c1cn2c(n1)cncc2 1P003RG3 [0,0,0,0,0,1|2,0,1]=4 233 B13R2.435 OC(=O)c1cn2c(n1)nccc2 1P0035H9 [0,0,0,0,0,1|2,0,1]=4 234 B13R2.435 OC(=O)c1nc2c([nH]1)cccc2 1P002VZ0 [0,0,0,0,0,1|3,0,0]=4 235 B13R2.435 OC(=O)c1nc2c([nH]1)ccnc2 1P00H2B4 [0,0,0,0,0,1|2,0,1]=4 236 B13R2.435 OC(=O)c1nc2c([nH]1)nccc2 1P006C6A [0,0,0,0,0,1|2,0,0]=3 237 B13R2.435 OC(=O)c1nc2c(s1)ccnc2 1P01BDVT [0,0,0,0,0,1|2,0,1]=4 238 B13R2.435 OC(=O)c1nc2c(s1)cncc2 1P00GI6P [0,0,0,0,0,1|3,0,0]=4 239 B13R2.435 OC(=O)c1nc2c(s1)nccc2 1P00IE8M [0,0,0,0,0,1|3,0,0]=4 240 B13R2.435 OC(=O)c1nn2c(c1)cccn2 1P00IA2V [0,0,0,0,0,1|2,0,1]=4 241 B10R1.66 CC(=O)C=Cc1cccs1 1P003KH7 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.66 CC(=O)\C=C\c1cccs1 1P007DZY [1,0,1,0,0,0|2,0,0]=4 243 B10R1.66 OC(=O)C=Cc1c[nH]cc1 1P0051EL [1,0,1,0,0,0|1,0,1]=4 244 B10R1.66 OC(=O)C=Cc1c[nH]cn1 1P003IFZ [1,0,1,0,0,0|1,0,1]=4 245 B10R1.66 OC(=O)C=Cc1c[nH]cn1 1P01AGPN [1,0,1,0,0,0|1,0,1]=4 246 B10R1.66 OC(=O)C=Cc1c[nH]nc1 1P00HSFE [1,0,1,0,0,0|2,0,0]=4 247 B10R1.66 OC(=O)C=Cc1ccc[nH]1 1P00DM57 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.66 OC(=O)C=Cc1ccco1 1P00DENX [1,0,1,0,0,0|1,1,0]=4 249 B10R1.66 OC(=O)C=Cc1cccs1 1P008S57 [1,0,1,0,0,0|1,0,0]=3 250 B10R1.66 OC(=O)C=Cc1cocc1 1P00G5E1 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.66 OC(=O)C=Cc1cscc1 1P000JD6 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.66 OC(=O)C=Cc1nccs1 1P00DMJ1 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.66 OC(=O)CCc1cncs1 1P00645C [1,0,1,0,0,0|0,0,2]=4 254 B10R1.66 OC(=O)CCc1cncs1 1P01AMID [1,0,1,0,0,0|0,0,2]=4 255 B10R1.66 OC(=O)CCc1cscn1 1P01923C [1,0,1,0,0,0|1,0,1]=4 256 B10R1.66 OC(=O)\C=C/c1cnc[nH]1 1P008OSS [1,0,1,0,0,0|1,0,0]=3 257 B10R1.66 OC(=O)\C=C\c1c[nH]cc1 1P019TTF [1,0,1,0,0,0|1,0,1]=4 258 B10R1.66 OC(=O)\C=C\c1c[nH]cn1 1P0032SS [1,0,1,0,0,0|1,0,1]=4 259 B10R1.66 OC(=O)\C=C\c1ccco1 1P001PJ5 [1,0,1,0,0,0|1,1,0]=4 260 B10R1.66 OC(=O)\C=C\c1cccs1 1P001PJ4 [1,0,1,0,0,0|1,0,0]=3 261 B10R1.66 OC(=O)\C=C\c1cnco1 1P028MD8 [1,0,1,0,0,0|0,1,0]=3 262 B10R1.66 OC(=O)\C=C\c1cncs1 1P01DTDG [1,0,1,0,0,0|0,0,0]=2 263 B10R1.66 OC(=O)\C=C\c1cocc1 1P003IOY [1,0,1,0,0,0|2,0,0]=4 264 B10R1.66 OC(=O)\C=C\c1cscc1 1P0008M0 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.66 OC(=O)\C=C\c1cscn1 1P00K35P [1,0,1,0,0,0|1,0,0]=3 266 B10R1.66 OC(=O)\C=C\c1nccs1 1P00IMQJ [1,0,1,0,0,0|2,0,0]=4 267 B10R1.66 OC(=O)\C=C\c1nnc[nH]1 1P028S01 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.31 CCc1c[nH]c(c1)C(=O)O 1P01EBMD [1,0,1,0,0,0|1,0,1]=4 269 B10R1.31 CCc1ccc([nH]1)C(=O)O 1P00J2Z2 [1,0,1,0,0,0|1,0,1]=4 270 B10R1.31 COc1c[nH]c(c1)C(=O)O 1P01J5KA [1,0,1,0,0,0|0,1,1]=4 271 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O 1P005O1P [1,0,1,0,0,0|0,0,2]=4 272 B10R1.31 N#Cc1ccc([nH]1)C(=O)O 1P00G9V9 [1,0,1,0,0,0|1,0,1]=4 273 B10R1.31 O=Cc1c[nH]c(c1)C(=O)O 1P00FF56 [1,0,1,0,0,0|1,0,0]=3 274 B10R1.31 O=Cc1ccc([nH]1)C(=O)O 1P005WAG [1,0,1,0,0,0|0,1,0]=3 275 B10R1.31 O=Cc1ccc(o1)C(=O)O 1P0034QN [1,0,1,0,0,0|1,1,0]=4 276 B10R1.31 O=Cc1ccc(s1)C(=O)O 1P003N8P [1,0,1,0,0,0|1,1,0]=4 277 B10R1.31 O=Cc1coc(c1)C(=O)O 1P01BKR3 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.58 Brc1[nH]c(cc1Br)C(=O)O 1P00C967 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.58 Cc1[nH]c(cc1C)C(=O)O 1P00I99K [1,0,1,0,0,0|1,0,1]=4 280 B10R1.58 Clc1[nH]c(cc1Cl)C(=O)O 1P00CTS9 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.58 OC(=O)c1cc(c([nH]1)Br)Cl 1P019UVI [1,0,1,0,0,0|2,0,0]=4 282 B10R1.58 OC(=O)c1cc(c([nH]1)Cl)Br 1P019UVJ [1,0,1,0,0,0|2,0,0]=4 283 B10R2.2 O=c1[nH]c2c([nH]1)ccs2 1P00FHNC [2,0,0,0,0,0|2,0,0]=4 284 B12R1.353 COC(=O)C=Cc1scnc1C 1P01AFTY [0,1,1,0,0,0|1,0,0]=3 285 B12R1.861 OC(=O)\C=C\c1sc(nc1Cl)Cl 1P028CJ2 [0,1,1,0,0,0|1,0,0]=3 286 B12R1.389 CC(=O)Nc1c[nH]c(c1)C(=O)O 1P001H88 [0,1,1,0,0,0|2,0,0]=4 287 B12R2.30 O=Cc1cc2c(n1C)scc2 1P023QU8 [1,1,0,0,0,0|2,0,0]=4 288 B12R2.364 O=Cc1cc2c([nH]1)cc(s2)C 1P01DWWZ [1,1,0,0,0,0|1,0,0]=3 289 B12R2.364 O=Cc1cc2c([nH]1)cc(s2)Cl 1P028OI0 [1,1,0,0,0,0|1,0,0]=3 290 B12R2.2040 O=Cc1cc2c([nH]1)c(cs2)Br 1P01FICW [1,1,0,0,0,0|1,0,0]=3 291 B14R2.601 Brc1nc2c(s1)cc(cc2)C(=O)N 1P01K1YG [0,1,0,0,0,1|2,0,0]=4 292 B14R2.601 Brc1nc2c(s1)cc(cc2)C(=O)O 1P007OUR [0,1,0,0,0,1|1,0,0]=3 293 B14R2.601 Brc1sc2c(n1)cc(cc2)C(=O)N 1P01K01F [0,1,0,0,0,1|2,0,0]=4 294 B14R2.601 Cc1nc2c(o1)cc(cc2)C(=O)O 1P003I1K [0,1,0,0,0,1|1,1,0]=4 295 B14R2.601 Cc1nc2c(o1)cc(cn2)C(=O)O 1P0286HJ [0,1,0,0,0,1|0,1,1]=4 296 B14R2.601 Cc1nc2c(s1)cc(cc2)C(=O)O 1P00607Z [0,1,0,0,0,1|1,0,0]=3 297 B14R2.601 Cc1nc2c(s1)ncc(c2)C(=O)O 1P01P7KH [0,1,0,0,0,1|1,0,0]=3 298 B14R2.601 Cc1oc2c(n1)cc(cc2)C(=O)O 1P00GUR5 [0,1,0,0,0,1|1,1,0]=4 299 B14R2.601 Cc1sc2c(n1)cc(cc2)C(=O)O 1P002Q4I [0,1,0,0,0,1|1,0,0]=3 300 B14R2.601 Clc1nc2c(s1)cc(cc2)C(=O)C 1P00EKT6 [0,1,0,0,0,1|2,0,0]=4 301 B14R2.601 Clc1nc2c(s1)cc(cc2)C(=O)N 1P01KX3P [0,1,0,0,0,1|2,0,0]=4 302 B14R2.601 Clc1nc2c(s1)cc(cc2)C(=O)O 1P00380O [0,1,0,0,0,1|1,0,0]=3 303 B14R2.601 Clc1sc2c(n1)cc(cc2)C(=O)O 1P001BAS [0,1,0,0,0,1|1,0,0]=3 304 B14R2.601 Nc1nc2c(o1)cc(cc2)C(=O)O 1P00HSUK [0,1,0,0,0,1|1,1,0]=4 305 B14R2.601 Nc1nc2c(s1)cc(cc2)C(=O)C 1P006Z14 [0,1,0,0,0,1|2,0,0]=4 306 B14R2.601 Nc1nc2c(s1)cc(cc2)C(=O)N 1P008VNF [0,1,0,0,0,1|2,0,0]=4 307 B14R2.601 Nc1nc2c(s1)cc(cc2)C(=O)O 1P0027Y1 [0,1,0,0,0,1|1,0,0]=3 308 B14R2.601 Nc1nc2c(s1)cc(cc2)C(=O)O 1P006D10 [0,1,0,0,0,1|1,0,0]=3 309 B14R2.601 Nc1nc2c(s1)cc(cn2)C(=O)O 1P01B93R [0,1,0,0,0,1|0,0,1]=3 310 B14R2.601 Nc1oc2c(n1)cc(cc2)C(=O)O 1P00I7AQ [0,1,0,0,0,1|1,1,0]=4 311 B14R2.601 Nc1sc2c(n1)cc(cc2)C(=O)O 1P000471 [0,1,0,0,0,1|1,0,0]=3 312 B14R2.601 Nc1sc2c(n1)cc(cc2)C(=O)[O-] 1P0201WD [0,1,0,0,0,1|1,0,1]=4 313 B14R2.601 OC(=O)c1cc2nc(sc2nc1)Cl 1P028WAU [0,1,0,0,0,1|1,0,0]=3 314 B14R2.601 OC(=O)c1ccc2c(c1)[nH]c(=O)s2 1P028XOP [0,1,0,0,0,1|1,0,1]=4 315 B14R2.601 OC(=O)c1ccc2c(c1)[nH]c(n2)C 1P00ICKQ [0,1,0,0,0,1|2,0,0]=4 316 B14R2.601 OC(=O)c1ccc2c(c1)[nH]c(n2)N 1P005CSK [0,1,0,0,0,1|2,0,0]=4 317 B14R2.601 OC(=O)c1ccc2c(c1)nc([nH]2)C 1P01A5T0 [0,1,0,0,0,1|2,0,0]=4 318 B14R2.601 OC(=O)c1ccc2c(c1)nc([nH]2)Cl 1P006475 [0,1,0,0,0,1|2,0,0]=4 319 B14R2.601 Oc1nc2c(s1)cc(cc2)C(=O)O 1P006O2V [0,1,0,0,0,1|1,0,0]=3 320 B14R2.601 Sc1nc2c(o1)cc(cc2)C(=O)O 1P01AJWO [0,1,0,0,0,1|1,1,0]=4 321 B14R2.624 OC(=O)c1cc2[nH]cnc2cc1F 1P01BABV [0,1,0,0,0,1|2,0,0]=4 322 B14R2.624 OC(=O)c1cc2[nH]cnc2cc1F 1P028UTG [0,1,0,0,0,1|2,0,0]=4 323 B14R2.624 OC(=O)c1cc2nc[nH]c2cc1N 1P004JBW [0,1,0,0,0,1|2,0,0]=4 324 B14R2.624 OC(=O)c1cc2sccc2nc1Cl 1P0092A1 [0,1,0,0,0,1|1,0,1]=4 325 B14R2.966 COC(=O)c1cc2[nH]cnc2cn1 1P00584Q [0,1,0,0,0,1|1,0,1]=4 326 B14R2.966 COC(=O)c1ccc2c(c1)[nH]cn2 1P003S0Y [0,1,0,0,0,1|2,0,0]=4 327 B14R2.966 COC(=O)c1ccc2c(c1)ccs2 1P01JR8X [0,1,0,0,0,1|2,0,0]=4 328 B14R2.966 COC(=O)c1ccc2c(c1)nc[nH]2 1P020LAI [0,1,0,0,0,1|2,0,0]=4 329 B14R2.966 COC(=O)c1ccc2c(c1)nco2 1P003SDS [0,1,0,0,0,1|1,1,0]=4 330 B14R2.966 COC(=O)c1ccc2c(c1)ncs2 1P006ZO3 [0,1,0,0,0,1|1,0,0]=3 331 B14R2.966 COC(=O)c1ccc2c(c1)nns2 1P002ODS [0,1,0,0,0,1|2,0,0]=4 332 B14R2.966 COC(=O)c1ccc2c(c1)ocn2 1P000V4B [0,1,0,0,0,1|1,1,0]=4 333 B14R2.966 COC(=O)c1ccc2c(c1)scc2 1P001ILZ [0,1,0,0,0,1|2,0,0]=4 334 B14R2.966 COC(=O)c1ccc2c(c1)scn2 1P005JDT [0,1,0,0,0,1|1,0,0]=3 335 B14R2.966 COC(=O)c1ccc2c(n1)ccs2 1P01ANRL [0,1,0,0,0,1|1,0,1]=4 336 B14R2.966 COC(=O)c1cnc2c(c1)[nH]cn2 1P00GAJI [0,1,0,0,0,1|1,0,1]=4 337 B14R2.966 COC(=O)c1cnc2c(c1)ccs2 1P01DY0T [0,1,0,0,0,1|2,0,0]=4 338 B14R2.966 COC(=O)c1cnc2c(c1)scn2 1P01KKJJ [0,1,0,0,0,1|0,0,1]=3 339 B14R2.3125 OS(=O)(=O)c1ccc2c(c1)scn2 1P001DS8 [0,1,0,0,0,1|2,0,0]=4 340 B14R2.5719 OC(=O)c1ccc2c(c1)ncn2C 1P009DK1 [0,1,0,0,0,1|2,0,0]=4 341 B14R2.5719 OC(=O)c1ccc2c(c1)ncn2C 1P00DAWE [0,1,0,0,0,1|2,0,0]=4 342 B14R2.5719 OC(=O)c1ccc2c(c1)scc2C 1P0285UX [0,1,0,0,0,1|2,0,0]=4 343 B14R2.5719 OC(=O)c1cnc2c(c1)ncn2C 1P008VU8 [0,1,0,0,0,1|2,0,0]=4 344 B14R2.5719 OC(=O)c1cnc2c(c1)scc2C 1P01AVIW [0,1,0,0,0,1|1,0,1]=4 345 B14R2.5719 OC(=O)c1ncc2c(c1)ncn2C 1P02872C [0,1,0,0,0,1|2,0,0]=4 346 B14R2.5998 OC(=O)c1c[nH]c2c(c1=O)scc2 1P006NCK [0,1,0,0,0,1|1,0,0]=3 347 B14R2.5998 OC(=O)c1c[nH]c2n(c1=O)ncn2 1P00BFAO [0,1,0,0,0,1|2,0,0]=4 348 B14R2.5998 OC(=O)c1ccc2c(c1C)ccs2 1P028W9A [0,1,0,0,0,1|2,0,0]=4 349 B14R2.5998 OC(=O)c1ccc2c(c1F)nc[nH]2 1P01B7VF [0,1,0,0,0,1|2,0,0]=4 350 B14R2.5998 OC(=O)c1ccc2c(c1F)scn2 1P0290V8 [0,1,0,0,0,1|1,0,0]=3 351 B14R2.5998 OC(=O)c1cnc2c(c1Cl)scc2 1P006BKL [0,1,0,0,0,1|1,0,1]=4 352 B14R2.5998 Oc1c(cnc2c1ccs2)C(=O)O 1P00D9K5 [0,1,0,0,0,1|2,0,0]=4 353 B14R2.8824 OC(=O)c1cc(=O)n2c([nH]1)ncn2 1P01A7HM [0,1,0,0,0,1|2,0,0]=4 354 B14R2.8824 OC(=O)c1cc(Br)c2c(c1)nc[nH]2 1P028SHS [0,1,0,0,0,1|2,0,0]=4 355 B14R2.8824 OC(=O)c1cc(C)c2c(c1)ccs2 1P0283M8 [0,1,0,0,0,1|2,0,0]=4 356 B14R2.8824 OC(=O)c1cc(F)c2c(c1)[nH]cn2 1P028XG4 [0,1,0,0,0,1|2,0,0]=4 357 B14R2.8824 OC(=O)c1cc(O)c2c(c1)ccs2 1P01BFAH [0,1,0,0,0,1|2,0,0]=4 358 B14R2.8824 OC(=O)c1cc(O)c2c(c1)scc2 1P01AFH1 [0,1,0,0,0,1|2,0,0]=4 359 B14R2.24358 Cc1csc2c1cc(cc2)C(=O)O 1P00ANNO [0,1,0,0,0,1|2,0,0]=4 360 B14R2.24358 Cn1cnc2c1cc(cc2)C(=O)O 1P00DH5P [0,1,0,0,0,1|2,0,0]=4 361 B14R2.24358 OC(=O)c1c[nH]c2c(c1)c(=O)[nH]n2 1P01FKJJ [0,1,0,0,0,1|2,0,0]=4 362 B14R2.24358 OC(=O)c1cc2c(Br)csc2cc1 1P01APHZ [0,1,0,0,0,1|2,0,0]=4 363 B14R2.24358 OC(=O)c1ncc2c(c1)n(C)cn2 1P0287D0 [0,1,0,0,0,1|1,0,1]=4 364 B14R2.450 OC(=O)c1[nH]c2c(c1Br)cccc2 1P002WS1 [0,1,0,0,0,1|2,0,0]=4 365 B14R2.450 OC(=O)c1[nH]c2c(c1Br)nccc2 1P020A9O [0,1,0,0,0,1|2,0,0]=4 366 B14R2.450 OC(=O)c1[nH]c2c(c1C)cccc2 1P0085EN [0,1,0,0,0,1|2,0,0]=4 367 B14R2.450 OC(=O)c1[nH]c2c(c1Cl)cccc2 1P002WS2 [0,1,0,0,0,1|2,0,0]=4 368 B14R2.450 OC(=O)c1[nH]c2c(c1I)cccc2 1P001XYO [0,1,0,0,0,1|2,0,0]=4 369 B14R2.450 OC(=O)c1cc2c(n1C)CCSC2 1P028WDV [0,1,0,0,0,1|1,0,1]=4 370 B14R2.450 OC(=O)c1cc2c(n1C)cccc2 1P001SVI [0,1,0,0,0,1|2,0,0]=4 371 B14R2.450 OC(=O)c1sc2c(c1Br)cccn2 1P00FHIM [0,1,0,0,0,1|2,0,0]=4 372 B14R2.450 OC(=O)c1sc2c(c1Br)nccn2 1P01DIF3 [0,1,0,0,0,1|2,0,0]=4 373 B14R2.450 OC(=O)c1sc2c(c1C)cncn2 1P0291NO [0,1,0,0,0,1|2,0,0]=4 374 B14R2.450 OC(=O)c1sc2c(c1Cl)cccn2 1P0036L8 [0,1,0,0,0,1|2,0,0]=4 375 B14R2.450 OC(=O)c1sc2c(c1Cl)nccn2 1P025199 [0,1,0,0,0,1|2,0,0]=4 376 B14R2.450 OC(=O)c1sc2c(c1N)cccn2 1P00EEL2 [0,1,0,0,0,1|2,0,0]=4 377 B14R2.450 OC(=O)c1sc2c(c1N)cncn2 1P003MVF [0,1,0,0,0,1|2,0,0]=4 378 B14R2.450 OC(=O)c1sc2c(c1N)nccn2 1P00EABV [0,1,0,0,0,1|2,0,0]=4 379 B14R2.972 COC(=O)c1cc2c([nH]1)cccc2 1P000R0W [0,1,0,0,0,1|2,0,0]=4 380 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 1P003S14 [0,1,0,0,0,1|2,0,0]=4 381 B14R2.972 COC(=O)c1cc2c([nH]1)ccnc2 1P00GMEL [0,1,0,0,0,1|2,0,0]=4 382 B14R2.972 COC(=O)c1cc2c([nH]1)nccc2 1P003SFF [0,1,0,0,0,1|1,0,0]=3 383 B14R2.972 COC(=O)c1cc2c([nH]1)ncnc2 1P000RGW [0,1,0,0,0,1|1,0,0]=3 384 B14R2.972 COC(=O)c1cc2c(s1)cncc2 1P008EC5 [0,1,0,0,0,1|2,0,0]=4 385 B14R2.972 COC(=O)c1cc2c(s1)cncn2 1P023QBK [0,1,0,0,0,1|2,0,0]=4 386 B14R2.972 COC(=O)c1cc2c(s1)nccc2 1P00AN95 [0,1,0,0,0,1|2,0,0]=4 387 B14R2.972 ONC(=O)c1cc2c([nH]1)cccc2 1P00EY1Y [0,1,0,0,0,1|2,0,0]=4 388 B14R2.4529 Brc1ccc2c(c1)[nH]c(c2)C(=O)O 1P001XRI [0,1,0,0,0,1|2,0,0]=4 389 B14R2.4529 Brc1ccc2c(c1)cc([nH]2)C(=O)O 1P003N0T [0,1,0,0,0,1|2,0,0]=4 390 B14R2.4529 Brc1ccc2c(n1)[nH]c(c2)C(=O)O 1P00IL77 [0,1,0,0,0,1|1,0,0]=3 391 B14R2.4529 Brc1ccc2c(n1)cc([nH]2)C(=O)O 1P00GA7X [0,1,0,0,0,1|2,0,0]=4 392 B14R2.4529 Brc1ccc2c(n1)sc(c2)C(=O)O 1P027W7C [0,1,0,0,0,1|2,0,0]=4 393 B14R2.4529 Brc1cnc2c(c1)[nH]c(c2)C(=O)O 1P000RA6 [0,1,0,0,0,1|2,0,0]=4 394 B14R2.4529 Brc1cnc2c(c1)cc([nH]2)C(=O)O 1P0017ED [0,1,0,0,0,1|1,0,0]=3 395 B14R2.4529 Brc1cnc2c(c1)cc(o2)C(=O)O 1P028300 [0,1,0,0,0,1|2,0,0]=4 396 B14R2.4529 Brc1cnc2c(c1)cc(s2)C(=O)O 1P000M6P [0,1,0,0,0,1|2,0,0]=4 397 B14R2.4529 Brc1cnc2c(c1)nc([nH]2)C(=O)O 1P01B61F [0,1,0,0,0,1|2,0,0]=4 398 B14R2.4529 Brc1ncc2c(c1)cc([nH]2)C(=O)O 1P00370F [0,1,0,0,0,1|1,0,0]=3 399 B14R2.4529 Cc1ccc2c(c1)[nH]c(c2)C(=O)O 1P0075EC [0,1,0,0,0,1|2,0,0]=4 400 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O 1P0007US [0,1,0,0,0,1|2,0,0]=4 401 B14R2.4529 Cc1ccc2c(n1)[nH]c(c2)C(=O)O 1P0012UJ [0,1,0,0,0,1|1,0,0]=3 402 B14R2.4529 Cc1cnc2c(c1)cc([nH]2)C(=O)O 1P003AS6 [0,1,0,0,0,1|1,0,0]=3 403 B14R2.4529 Cc1ncc2c(c1)cc([nH]2)C(=O)O 1P00GLNK [0,1,0,0,0,1|1,0,0]=3 404 B14R2.4529 Clc1ccc2c(c1)[nH]c(c2)C(=O)O 1P001XSF [0,1,0,0,0,1|2,0,0]=4 405 B14R2.4529 Clc1ccc2c(c1)cc([nH]2)C(=O)O 1P0039GJ [0,1,0,0,0,1|2,0,0]=4 406 B14R2.4529 Clc1ccc2c(n1)[nH]c(c2)C(=O)O 1P00370D [0,1,0,0,0,1|1,0,0]=3 407 B14R2.4529 Clc1ccc2c(n1)cc([nH]2)C(=O)O 1P00G64C [0,1,0,0,0,1|2,0,0]=4 408 B14R2.4529 Clc1ccc2c(n1)sc(c2)C(=O)O 1P01C08I [0,1,0,0,0,1|2,0,0]=4 409 B14R2.4529 Clc1cnc2c(c1)[nH]c(c2)C(=O)O 1P0096BP [0,1,0,0,0,1|2,0,0]=4 410 B14R2.4529 Clc1cnc2c(c1)cc([nH]2)C(=O)O 1P0055WO [0,1,0,0,0,1|1,0,0]=3 411 B14R2.4529 Clc1cnc2c(c1)cc(o2)C(=O)O 1P028D7P [0,1,0,0,0,1|2,0,0]=4 412 B14R2.4529 Clc1ncc2c(c1)[nH]c(c2)C(=O)O 1P0038WB [0,1,0,0,0,1|2,0,0]=4 413 B14R2.4529 Clc1ncc2c(c1)cc([nH]2)C(=O)O 1P005DZ4 [0,1,0,0,0,1|1,0,0]=3 414 B14R2.4529 Clc1ncc2c(n1)[nH]c(c2)C(=O)O 1P01DYLA [0,1,0,0,0,1|1,0,0]=3 415 B14R2.4529 Fc1ccc2c(c1)[nH]c(c2)C(=O)O 1P003267 [0,1,0,0,0,1|2,0,0]=4 416 B14R2.4529 Fc1ccc2c(c1)cc([nH]2)C(=O)O 1P003N8B [0,1,0,0,0,1|2,0,0]=4 417 B14R2.4529 Fc1cnc2c(c1)cc([nH]2)C(=O)O 1P0067QK [0,1,0,0,0,1|1,0,0]=3 418 B14R2.4529 Ic1ccc2c(c1)[nH]c(c2)C(=O)O 1P00I81U [0,1,0,0,0,1|2,0,0]=4 419 B14R2.4529 Ic1ccc2c(c1)cc([nH]2)C(=O)O 1P01A3GL [0,1,0,0,0,1|2,0,0]=4 420 B14R2.4529 Nc1ccc2c(c1)[nH]c(c2)C(=O)O 1P009KDO [0,1,0,0,0,1|2,0,0]=4 421 B14R2.4529 Nc1ccc2c(c1)cc([nH]2)C(=O)O 1P0038QU [0,1,0,0,0,1|2,0,0]=4 422 B14R2.4529 Oc1ccc2c(c1)[nH]c(c2)C(=O)O 1P0076BM [0,1,0,0,0,1|2,0,0]=4 423 B14R2.4529 Oc1ccc2c(c1)cc([nH]2)C(=O)O 1P003N8X [0,1,0,0,0,1|2,0,0]=4 424 B14R2.4529 Oc1ccc2c(n1)sc(c2)C(=O)O 1P028OE8 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.7969 OC(=O)c1cc2c([nH]1)c(Br)ccc2 1P001XRE [0,1,0,0,0,1|2,0,0]=4 426 B14R2.7969 OC(=O)c1cc2c([nH]1)c(C)ccc2 1P00I1Z4 [0,1,0,0,0,1|2,0,0]=4 427 B14R2.7969 OC(=O)c1cc2c([nH]1)c(Cl)ccc2 1P002XFZ [0,1,0,0,0,1|2,0,0]=4 428 B14R2.7969 OC(=O)c1cc2c([nH]1)c(Cl)ncc2 1P00IENF [0,1,0,0,0,1|1,0,0]=3 429 B14R2.7969 OC(=O)c1cc2c([nH]1)c(F)ccc2 1P00BZ32 [0,1,0,0,0,1|2,0,0]=4 430 B14R2.7969 OC(=O)c1cc2c([nH]1)c(O)ccc2 1P0050Y4 [0,1,0,0,0,1|2,0,0]=4 431 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2Br 1P001XRJ [0,1,0,0,0,1|2,0,0]=4 432 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2C 1P00383Z [0,1,0,0,0,1|2,0,0]=4 433 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2Cl 1P002PAJ [0,1,0,0,0,1|2,0,0]=4 434 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2F 1P00I8AF [0,1,0,0,0,1|2,0,0]=4 435 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2N 1P01EEAE [0,1,0,0,0,1|2,0,0]=4 436 B14R2.7969 OC(=O)c1cc2c([nH]1)cccc2O 1P00553F [0,1,0,0,0,1|2,0,0]=4 437 B14R2.7969 OC(=O)c1cc2c([nH]1)ccnc2C 1P000M7F [0,1,0,0,0,1|2,0,0]=4 438 B14R2.7969 OC(=O)c1cc2c([nH]1)ccnc2Cl 1P009KLR [0,1,0,0,0,1|2,0,0]=4 439 B14R2.7969 OC(=O)c1cc2c([nH]1)ccnc2O 1P0293QO [0,1,0,0,0,1|2,0,0]=4 440 B14R2.7969 OC(=O)c1cc2c([nH]1)cncc2Cl 1P01KLN4 [0,1,0,0,0,1|1,0,0]=3 441 B14R2.7969 OC(=O)c1cc2c([nH]1)nccc2Br 1P00HHRI [0,1,0,0,0,1|1,0,0]=3 442 B14R2.7969 OC(=O)c1cc2c([nH]1)nccc2C 1P00HBOH [0,1,0,0,0,1|1,0,0]=3 443 B14R2.7969 OC(=O)c1cc2c([nH]1)nccc2Cl 1P009YQ1 [0,1,0,0,0,1|1,0,0]=3 444 B14R2.7969 OC(=O)c1cc2c([nH]1)ncnc2Br 1P000P74 [0,1,0,0,0,1|1,0,0]=3 445 B14R2.7969 OC(=O)c1cc2c([nH]1)ncnc2Cl 1P0005GJ [0,1,0,0,0,1|1,0,0]=3 446 B14R2.7969 OC(=O)c1cc2c([nH]1)ncnc2F 1P0005GI [0,1,0,0,0,1|1,0,0]=3 447 B14R2.7969 OC(=O)c1cc2c(o1)c(Cl)ncc2 1P028W1G [0,1,0,0,0,1|2,0,0]=4 448 B14R2.7969 OC(=O)c1cc2c(s1)c(Br)ncc2 1P01FPBR [0,1,0,0,0,1|2,0,0]=4 449 B14R2.7969 OC(=O)c1cc2c(s1)c(Cl)ncc2 1P01BSD1 [0,1,0,0,0,1|2,0,0]=4 450 B14R2.7969 OC(=O)c1cc2c(s1)c(Cl)ncn2 1P00H3A4 [0,1,0,0,0,1|2,0,0]=4 451 B14R2.7969 OC(=O)c1nc2c([nH]1)ncnc2Cl 1P028OHZ [0,1,0,0,0,1|2,0,0]=4 452 B14R2.7969 OC(=O)c1oc2c(c1)c(Cl)cnc2 1P028LWA [0,1,0,0,0,1|2,0,0]=4 453 B14R2.7969 OC(=O)c1sc2c(c1)c(Br)cnc2 1P009MNG [0,1,0,0,0,1|2,0,0]=4 454 B14R2.7969 OC(=O)c1sc2c(c1)c(Cl)ccn2 1P0014LJ [0,1,0,0,0,1|2,0,0]=4 455 B14R2.7969 OC(=O)c1sc2c(c1)c(Cl)cnc2 1P002RBE [0,1,0,0,0,1|2,0,0]=4 456 B14R2.7969 OC(=O)c1sc2c(c1)c(Cl)ncn2 1P00IEOL [0,1,0,0,0,1|2,0,0]=4 457 B14R2.7969 OC(=O)c1sc2c(c1)c(F)cnc2 1P01DUQ3 [0,1,0,0,0,1|2,0,0]=4 458 B14R2.7969 [O-]C(=O)c1cc2c([nH]1)c(C)ncc2 1P028O2K [0,1,0,0,0,1|1,0,1]=4 459 B14R2.707 OC(=O)c1cc2c([nH]1)c(c(o2)C)C 1P01DTU8 [0,2,0,0,0,0|1,1,0]=4 460 B14R2.707 OC(=O)c1cc2c(s1)n(c(=O)s2)C 1P0281OL [0,2,0,0,0,0|1,0,1]=4 461 B14R2.1194 NCc1sc2c(c1)sc(c2)C(=O)O 1P028CHE [0,2,0,0,0,0|2,0,0]=4 462 B14R2.1194 O=Cc1cc2c(o1)cc([nH]2)C(=O)O 1P01BYF3 [0,2,0,0,0,0|1,1,0]=4 463 B14R2.1194 O=Cc1cc2c(s1)cc([nH]2)C(=O)O 1P01ALZ1 [0,2,0,0,0,0|1,0,0]=3 464 B14R2.1194 O=Cc1sc2c(c1)cc([nH]2)C(=O)O 1P028Q3M [0,2,0,0,0,0|2,0,0]=4 465 B14R2.10815 COC(=O)c1cc2c([nH]1)cc(s2)Br 1P01DVNE [0,2,0,0,0,0|1,0,0]=3 466 B14R2.10815 COC(=O)c1cc2c([nH]1)cc(s2)C 1P00J8VV [0,2,0,0,0,0|1,0,0]=3 467 B14R2.10815 COC(=O)c1cc2c([nH]1)cc(s2)Cl 1P01DWVG [0,2,0,0,0,0|1,0,0]=3 468 B14R2.10815 COC(=O)c1cc2c([nH]1)sc(c2)Br 1P01BAOL [0,2,0,0,0,0|2,0,0]=4 469 B14R2.10815 COC(=O)c1cc2c([nH]1)sc(c2)Cl 1P019QNJ [0,2,0,0,0,0|2,0,0]=4 470 B14R2.10815 COC(=O)c1cc2c([nH]1)sc(n2)Br 1P01FIXY [0,2,0,0,0,0|2,0,0]=4 471 B14R2.10815 COC(=O)c1cc2c([nH]1)sc(n2)C 1P019QN1 [0,2,0,0,0,0|2,0,0]=4 472 B14R2.10815 COC(=O)c1sc2c(c1)sc(n2)N 1P028CT7 [0,2,0,0,0,0|1,0,0]=3 473 B14R2.839 CCOC(=O)c1cc2c([nH]1)cco2 1P00CMV4 [0,2,0,0,0,0|1,1,0]=4 474 B14R2.839 CCOC(=O)c1cc2c([nH]1)ccs2 1P00D9E6 [0,2,0,0,0,0|1,0,0]=3 475 B14R2.839 CCOC(=O)c1cc2c([nH]1)ncs2 1P00CGZ2 [0,2,0,0,0,0|0,0,0]=2 476 B14R2.839 CCOC(=O)c1cc2c([nH]1)scc2 1P00C64C [0,2,0,0,0,0|2,0,0]=4 477 B14R2.839 CCOC(=O)c1sc2c(c1)scc2 1P002DLI [0,2,0,0,0,0|2,0,0]=4 478 B14R2.10637 COC(=O)c1[nH]c2c(c1)n(cc2)C 1P01DX5K [0,2,0,0,0,0|2,0,0]=4 479 B14R2.10637 COC(=O)c1[nH]c2c(c1)n(cn2)C 1P0290S5 [0,2,0,0,0,0|1,0,0]=3 480 B14R2.10637 COC(=O)c1cc2c([nH]1)c(co2)Br 1P01DVEH [0,2,0,0,0,0|1,1,0]=4 481 B14R2.10637 COC(=O)c1cc2c([nH]1)c(cs2)Br 1P008UK4 [0,2,0,0,0,0|1,0,0]=3 482 B14R2.10637 COC(=O)c1cc2c(s1)c(cs2)Br 1P028PNY [0,2,0,0,0,0|2,0,0]=4 483 B14R2.4281 O=Cc1c([nH]c2c1scc2)C(=O)O 1P01C82V [0,2,0,0,0,0|1,0,0]=3 484 B14R2.5617 OC(=O)c1sc2c(c1C)scc2Br 1P00H334 [0,2,0,0,0,0|2,0,0]=4 485 B12R2.1362 OC(=O)c1ccc2n1ccs2 1P0284IM [0,0,1,1,0,0|2,0,0]=4 486 B12R2.1362 OC(=O)c1csc2n1ccn2 1P00DI2P [0,0,1,1,0,0|2,0,0]=4 487 B12R2.1362 OC(=O)c1csc2n1ccn2 1P01FKMO [0,0,1,1,0,0|2,0,0]=4 488 B10R1.23 CC(c1cncs1)C(=O)O 1P028OQJ [0,0,1,0,1,0|1,0,1]=4 489 B10R1.23 NC(c1ncsc1)C(=O)O 1P028U5X [0,0,1,0,1,0|1,0,1]=4 490 B10R1.23 OC(=O)C(=O)c1cccs1 1P003IAL [0,0,1,0,1,0|2,0,0]=4 491 B10R1.23 OC(=O)C(c1cccs1)N 1P002LP1 [0,0,1,0,1,0|1,0,1]=4 492 B10R1.23 OC(=O)[C@@H](c1cccs1)N 1P00I8RO [0,0,1,0,1,0|1,0,1]=4 493 B10R1.23 OC(=O)[C@H](c1cccs1)N 1P003CPX [0,0,1,0,1,0|1,0,1]=4 494 B10R1.64 Cc1ncsc1CC(=O)O 1P003FDP [0,0,1,0,1,0|1,0,1]=4 495 B10R1.64 OC(=O)Cc1ncsc1Cl 1P028UD4 [0,0,1,0,1,0|1,0,1]=4 496 B12R1.43 CC(=Cc1ccncc1)C(=O)O 1P01B2DG [0,0,1,0,0,1|2,0,0]=4 497 B12R1.43 OC(=O)C(=Cc1cccnc1)C 1P01B2EH [0,0,1,0,0,1|2,0,0]=4 498 B12R1.43 OC(=O)C(=Cc1cccnc1)F 1P01BBVI [0,0,1,0,0,1|2,0,0]=4 499 B12R1.125 Cc1ncccc1C=CC(=O)O 1P01AV9J [0,0,1,0,0,1|2,0,0]=4 500 B12R1.125 OC(=O)\C=C\c1cccnc1F 1P0290X9 [0,0,1,0,0,1|2,0,0]=4 501 B12R1.125 OC(=O)\C=C\c1ccncc1C 1P0289UN [0,0,1,0,0,1|2,0,0]=4 502 B12R1.226 OC(=O)\C=C\c1cccc(c1)N 1P000XW0 [0,0,1,0,0,1|2,0,0]=4 503 B12R1.226 OC(=O)\C=C\c1ccnc(c1)Br 1P01DMLJ [0,0,1,0,0,1|2,0,0]=4 504 B12R1.226 OC(=O)\C=C\c1ccnc(c1)C 1P00LLD7 [0,0,1,0,0,1|2,0,0]=4 505 B12R1.226 OC(=O)\C=C\c1ccnc(c1)Cl 1P01EMGU [0,0,1,0,0,1|2,0,0]=4 506 B12R2.32 O=Cc1cc2c([nH]1)cccc2 1P002EQW [1,0,0,0,0,1|2,0,0]=4 507 B12R2.32 O=Cc1cc2c([nH]1)cccn2 1P00APL2 [1,0,0,0,0,1|2,0,0]=4 508 B12R2.32 O=Cc1cc2c([nH]1)ccnc2 1P00EAEQ [1,0,0,0,0,1|2,0,0]=4 509 B12R2.32 O=Cc1cc2c([nH]1)ccnc2 1P01FIEY [1,0,0,0,0,1|2,0,0]=4 510 B12R2.32 O=Cc1cc2c([nH]1)cncc2 1P004TSS [1,0,0,0,0,1|1,0,0]=3 511 B12R2.32 O=Cc1cc2c([nH]1)nccc2 1P00BZEN [1,0,0,0,0,1|1,0,0]=3 512 B12R2.32 O=Cc1cc2c(o1)cncc2 1P007BQX [1,0,0,0,0,1|2,0,0]=4 513 B12R2.32 O=Cc1cc2c(o1)nccc2 1P007BIB [1,0,0,0,0,1|2,0,0]=4 514 B12R2.32 O=Cc1cc2c(s1)cncc2 1P0029NF [1,0,0,0,0,1|2,0,0]=4 515 B12R2.32 O=Cc1cc2c(s1)cncn2 1P0291MS [1,0,0,0,0,1|2,0,0]=4 516 B12R2.32 O=Cc1cc2c(s1)nccc2 1P00DD5P [1,0,0,0,0,1|2,0,0]=4 517 B12R2.32 O=Cc1cc2c(s1)nccn2 1P004Z25 [1,0,0,0,0,1|2,0,0]=4 518 B12R2.32 OCc1cc2c([nH]1)cncc2 1P00IFHY [1,0,0,0,0,1|1,0,1]=4 519 B12R2.32 OCc1cc2c([nH]1)ncnc2 1P00HZFT [1,0,0,0,0,1|1,0,1]=4 520 B12R2.44 O=Cc1cc2[nH]cnc2nc1 1P01S9XI [1,0,0,0,0,1|1,0,1]=4 521 B12R2.44 O=Cc1ccc2c(c1)ccs2 1P0004PH [1,0,0,0,0,1|2,0,0]=4 522 B12R2.44 O=Cc1ccc2c(c1)nc[nH]2 1P00338B [1,0,0,0,0,1|2,0,0]=4 523 B12R2.44 O=Cc1ccc2c(c1)nco2 1P00EIU4 [1,0,0,0,0,1|1,1,0]=4 524 B12R2.44 O=Cc1ccc2c(c1)ncs2 1P00CJ8V [1,0,0,0,0,1|1,0,0]=3 525 B12R2.44 O=Cc1ccc2c(c1)ocn2 1P004Q78 [1,0,0,0,0,1|1,1,0]=4 526 B12R2.44 O=Cc1ccc2c(c1)scc2 1P00EL0T [1,0,0,0,0,1|2,0,0]=4 527 B12R2.44 O=Cc1ccc2c(c1)scn2 1P002CVT [1,0,0,0,0,1|1,0,0]=3 528 B12R2.44 O=Cc1cnc2c(c1)scc2 1P0091RT [1,0,0,0,0,1|1,0,1]=4 529 B12R2.44 OCc1ccc2c(c1)ncs2 1P00CLP8 [1,0,0,0,0,1|1,0,1]=4 530 B12R2.44 OCc1ccc2c(c1)scn2 1P002CVU [1,0,0,0,0,1|1,0,1]=4 531 B14R2.781 OC(=O)c1cc2nccnc2nc1 1P00GSXD [0,0,0,0,0,2|1,0,1]=4 532 B14R2.781 OC(=O)c1ccc2c(c1)CNC=N2 1P0285Z8 [0,0,0,0,0,2|2,0,0]=4 533 B14R2.781 OC(=O)c1ccc2c(c1)cccn2 1P0034U9 [0,0,0,0,0,2|2,0,0]=4 534 B14R2.781 OC(=O)c1ccc2c(c1)cccn2 1P01AH5D [0,0,0,0,0,2|2,0,0]=4 535 B14R2.781 OC(=O)c1ccc2c(c1)ccnc2 1P0036IG [0,0,0,0,0,2|2,0,0]=4 536 B14R2.781 OC(=O)c1ccc2c(c1)ccnc2 1P028047 [0,0,0,0,0,2|2,0,0]=4 537 B14R2.781 OC(=O)c1ccc2c(c1)cncc2 1P0036PR [0,0,0,0,0,2|2,0,0]=4 538 B14R2.781 OC(=O)c1ccc2c(c1)cncn2 1P006MNP [0,0,0,0,0,2|2,0,0]=4 539 B14R2.781 OC(=O)c1ccc2c(c1)nccc2 1P0039G4 [0,0,0,0,0,2|2,0,0]=4 540 B14R2.781 OC(=O)c1ccc2c(c1)nccn2 1P003UKG [0,0,0,0,0,2|2,0,0]=4 541 B14R2.781 OC(=O)c1ccc2c(c1)ncnc2 1P000L47 [0,0,0,0,0,2|2,0,0]=4 542 B14R2.781 OC(=O)c1ccc2c(n1)cncc2 1P00CN7A [0,0,0,0,0,2|1,0,1]=4 543 B14R2.781 OC(=O)c1ccc2c(n1)nccc2 1P00BFYN [0,0,0,0,0,2|1,0,1]=4 544 B14R2.781 OC(=O)c1ccc2c(n1)nccn2 1P01BED3 [0,0,0,0,0,2|1,0,1]=4 545 B14R2.781 OC(=O)c1cnc2c(c1)cccn2 1P0095OW [0,0,0,0,0,2|1,0,1]=4 546 B14R2.781 OC(=O)c1cnc2c(c1)ccnc2 1P002QTI [0,0,0,0,0,2|1,0,1]=4 547 B14R2.781 OC(=O)c1cnc2c(c1)cncc2 1P000615 [0,0,0,0,0,2|2,0,0]=4 548 B14R2.781 OC(=O)c1cnc2c(c1)nccc2 1P003E7K [0,0,0,0,0,2|2,0,0]=4 549 B14R2.781 OC(=O)c1ncc2c(c1)cccn2 1P01KA6X [0,0,0,0,0,2|1,0,1]=4 550 B14R2.781 OC(=O)c1ncc2c(c1)ccnc2 1P002QTJ [0,0,0,0,0,2|1,0,1]=4 551 B14R2.1008 CC(=O)Nc1ccc2c(c1)ncs2 1P00CIWT [0,0,0,0,0,2|2,0,0]=4 552 B14R2.1008 OC(=O)Cc1ccc2c(c1)[nH]cn2 1P00717V [0,0,0,0,0,2|2,0,0]=4 553 B14R2.1008 OC(=O)Cc1ccc2c(c1)nc[nH]2 1P01B2K9 [0,0,0,0,0,2|2,0,0]=4 554 B14R2.1008 OC(=O)Cc1ccc2c(c1)nco2 1P00AR6M [0,0,0,0,0,2|1,1,0]=4 555 B14R2.1008 OC(=O)Cc1ccc2c(c1)scn2 1P006RNJ [0,0,0,0,0,2|1,0,0]=3 556 B14R2.768 OC(=O)Cc1cc2c([nH]1)cccc2 1P00BYBV [0,0,0,0,0,2|2,0,0]=4