0 B14R2.2 C=C(Br)CN1C=NC2=C1C=CC=C2 Z57072787 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.2 C=C(C)CN1C=NC2=C1C=CC=C2 Z54141269 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 Z56917380 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,0,0,0|2,0,2]=4 6 B14R2.2 N=C(N)CN1C=NC2=C1C=CC=C2 Z1316651964 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,0,0|0,0,0]=0 8 B14R2.2 NC(=O)CC1=NOC2=C1C=CC=C2 Z101186134 [0,0,0,0,0,0|2,0,0]=2 9 B14R2.2 NC(=O)CC1=NSC2=C1C=CC=C2 Z1198158706 [0,0,0,0,0,0|2,0,0]=2 10 B14R2.2 NC(=O)CN1C=NC2=C1C=CC=C2 Z19648288 [0,0,0,0,0,0|1,0,1]=2 11 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.2 NC(=O)CN1N=NC2=C1C=CC=C2 Z56774274 [0,0,0,0,0,0|2,0,1]=3 13 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=N2 Z4579553371 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 Z4511427996 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,0,0|1,0,0]=1 16 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,0,0,0|2,0,0]=2 17 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,0,0,0|2,0,0]=2 18 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,0,0,0|2,0,0]=2 19 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,0,0,0|2,0,0]=2 20 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,0,0,0|2,0,0]=2 21 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,0,0,0|3,0,0]=3 22 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,0,0,0|3,0,0]=3 23 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,0,0,0|2,0,2]=4 24 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,0,0,0|1,0,2]=3 25 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,0,0,0|2,0,2]=4 26 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,0,0,0|3,0,0]=3 27 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,0,0,0|2,0,1]=3 28 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,0,0,0|4,0,0]=4 29 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,0,0,0|3,0,1]=4 30 B13R2.1 CNCC1=CSC2=C1C=CC=C2 Z415728090 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 Z104477894 [1,0,0,0,0,0|0,0,2]=3 32 B13R2.1 N#CCC1=CNC2=C1C=CC=N2 Z978942402 [1,0,0,0,0,0|1,0,2]=4 33 B13R2.1 N#CCC1=CNC2=C1C=CN=C2 Z1828214668 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.1 N#CCC1=CNC2=C1N=CC=C2 Z1255440212 [1,0,0,0,0,0|1,0,2]=4 35 B13R2.1 N#CCC1=CSC2=C1C=CC=C2 Z431602866 [1,0,0,0,0,0|1,0,2]=4 36 B13R2.1 NCCC1=CNC2=C1C=CC=C2 Z104478080 [1,0,0,0,0,0|0,0,1]=2 37 B13R2.1 NCCC1=CNC2=C1C=CC=N2 Z3013846178 [1,0,0,0,0,0|1,0,1]=3 38 B13R2.1 NCCC1=CNC2=C1C=CN=C2 Z2685925193 [1,0,0,0,0,0|1,0,1]=3 39 B13R2.1 NCCC1=CNC2=C1N=CC=C2 Z1741982367 [1,0,0,0,0,0|1,0,1]=3 40 B13R2.1 NCCC1=CSC2=C1C=CC=C2 Z432090862 [1,0,0,0,0,0|1,0,1]=3 41 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [1,0,0,0,0,0|2,0,1]=4 42 B13R2.1 NCCN1C=NC2=C1C=CC=C2 Z607822458 [1,0,0,0,0,0|1,0,2]=4 43 B13R2.1 OCCC1=CNC2=C1C=CC=C2 Z1123806416 [1,0,0,0,0,0|0,0,2]=3 44 B15R2.4 CCC(=O)NC1=NNC2=C1C=CC=C2 Z295761044 [0,1,0,0,0,0|3,0,0]=4 45 B15R2.4 CNC(=O)CC1=CNC2=C1C=CC=N2 Z1400782245 [0,1,0,0,0,0|1,0,0]=2 46 B15R2.4 CNC(=O)CN1C=NC2=C1C=CC=C2 Z19648084 [0,1,0,0,0,0|1,0,1]=3 47 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [0,1,0,0,0,0|1,0,0]=2 48 B15R2.4 COC(=O)CC1CNC2=C1C=CC=C2 Z979710660 [0,1,0,0,0,0|1,0,2]=4 49 B15R2.4 N/C(=N\O)/CN1C=NC2=C1C=CC=C2 Z237599832 [0,1,0,0,0,0|1,0,2]=4 50 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [0,1,0,0,0,0|0,0,2]=3 51 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [0,1,0,0,0,0|0,0,0]=1 52 B15R2.4 NNC(=O)CN1C=CC2=C1C=CC=C2 Z223656244 [0,1,0,0,0,0|2,0,0]=3 53 B15R2.4 NNC(=O)CN1N=NC2=C1C=CC=C2 Z73231347 [0,1,0,0,0,0|2,0,1]=4 54 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [0,1,0,0,0,0|0,0,0]=1 55 B15R2.11 NS(=O)(=O)CC1=NOC2=C1C=CC=C2 Z223042524 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.377 CC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z940713560 [0,1,0,0,0,0|1,0,0]=2 57 B15R2.377 CC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56776913 [0,1,0,0,0,0|2,0,0]=3 58 B15R2.377 CN(C)CC1=CNC2=C1C=CC(=C2)F Z1201618423 [0,1,0,0,0,0|3,0,0]=4 59 B15R2.377 NC(=O)CC1=CNC2=C1C=CC(=C2)F Z997948672 [0,1,0,0,0,0|0,0,0]=1 60 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Br Z978942580 [0,1,0,0,0,0|1,0,0]=2 61 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl Z940713564 [0,1,0,0,0,0|1,0,0]=2 62 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F Z927291412 [0,1,0,0,0,0|1,0,0]=2 63 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)Cl Z1269129100 [0,1,0,0,0,0|2,0,0]=3 64 B15R2.377 O=C(O)CC1=COC2=C1C=CC(=C2)O Z56983130 [0,1,0,0,0,0|2,0,0]=3 65 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Br Z2733638462 [0,1,0,0,0,0|2,0,0]=3 66 B15R2.377 O=C(O)CC1=CSC2=C1C=CC(=C2)Cl Z2733267599 [0,1,0,0,0,0|2,0,0]=3 67 B15R2.377 O=C(O)CC1=NOC2=C1C=CC(=C2)F Z1255451112 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)Br Z382706468 [0,1,0,0,0,0|3,0,0]=4 69 B15R2.377 O=C(O)CN1C=CC2=C1C=CC(=C2)F Z1160903217 [0,1,0,0,0,0|3,0,0]=4 70 B15R2.993 CC(=O)NC1C(=O)NC2=C1C=CC=C2 Z117766634 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [0,1,0,0,0,0|0,0,0]=1 72 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [0,1,0,0,0,0|1,0,0]=2 73 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O Z1262521044 [0,1,0,0,0,0|2,0,0]=3 74 B15R2.993 CC1=CC2=C(N1CC(=O)O)C=CC=C2 Z104341874 [0,1,0,0,0,0|3,0,0]=4 75 B15R2.993 CC1=NC2=C(N1CC(=O)O)C=CC=C2 Z56812811 [0,1,0,0,0,0|2,0,1]=4 76 B15R2.993 CC1CC2=C(N1CC(=O)N)C=CC=C2 Z54847173 [0,1,0,0,0,0|2,0,1]=4 77 B15R2.993 NC(=O)CN1C(=O)OC2=C1C=CC=C2 Z15400255 [0,1,0,0,0,0|2,0,0]=3 78 B15R2.993 O=C(O)/C=C\1/C(=O)NC2=C1C=CC=C2 Z56827367 [0,1,0,0,0,0|1,0,1]=3 79 B15R2.993 O=C(O)CC1=C(SC2=C1C=CC=C2)Br Z3681807548 [0,1,0,0,0,0|2,0,0]=3 80 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,1,0,0,0,0|1,0,1]=3 81 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 Z234897271 [0,1,0,0,0,0|3,0,0]=4 82 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [0,1,0,0,0,0|2,0,0]=3 83 B15R2.993 O=C(O)CN1C(=O)OC2=C1C=CC=C2 Z56974908 [0,1,0,0,0,0|3,0,0]=4 84 B15R2.993 O=C(O)CN1C(=S)SC2=C1C=CC=C2 Z57213501 [0,1,0,0,0,0|3,0,0]=4 85 B15R2.1255 C=C(C)C(=O)C1=CNC2=C1C=CC=C2 Z1255433268 [0,1,0,0,0,0|2,0,1]=4 86 B15R2.1255 CC(C(=O)N)N1CCC2=C1C=CC=C2 Z54750516 [0,1,0,0,0,0|2,0,1]=4 87 B15R2.1255 CC(C(=O)O)N1C=NC2=C1C=CC=C2 Z57841909 [0,1,0,0,0,0|2,0,1]=4 88 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [0,1,0,0,0,0|1,0,1]=3 89 B15R2.9410 CC(=O)NC1=NNC2=C1C=C(C=C2)F Z1098710697 [0,1,0,0,0,0|3,0,0]=4 90 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F Z1198156503 [0,1,0,0,0,0|1,0,1]=3 91 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [0,1,0,0,0,0|1,0,1]=3 92 B15R2.9410 CC(N)CC1=CSC2=C1C=C(C=C2)Br Z4631838934 [0,1,0,0,0,0|2,0,1]=4 93 B15R2.9410 CC(N)CC1=CSC2=C1C=C(C=C2)O Z4560488456 [0,1,0,0,0,0|2,0,1]=4 94 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O Z1945984220 [0,1,0,0,0,0|2,0,1]=4 95 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,1,0,0,0,0|1,0,0]=2 96 B15R2.9410 CC1=CC2=C(C=C1)OC=C2CC(=O)O Z57906221 [0,1,0,0,0,0|2,0,0]=3 97 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br Z1269196757 [0,1,0,0,0,0|3,0,0]=4 98 B15R2.9410 NC(=O)CN1C=CC2=C1C=C(C=C2)Cl Z803943168 [0,1,0,0,0,0|2,0,0]=3 99 B15R2.9410 O=C(O)CC1=C2C=C(C=CC2=NS1)Br Z2733644395 [0,1,0,0,0,0|2,0,1]=4 100 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,1,0,0,0,0|1,0,0]=2 101 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br Z1434712888 [0,1,0,0,0,0|2,0,0]=3 102 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl Z1269130758 [0,1,0,0,0,0|2,0,0]=3 103 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)Br Z1269167493 [0,1,0,0,0,0|3,0,0]=4 104 B15R2.9410 O=C(O)CC1=NOC2=C1C=C(C=C2)F Z1262525596 [0,1,0,0,0,0|3,0,0]=4 105 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Br Z916009482 [0,1,0,0,0,0|3,0,0]=4 106 B15R2.9410 O=C(O)CN1C=CC2=C1C=C(C=C2)Cl Z385445930 [0,1,0,0,0,0|3,0,0]=4 107 B15R2.9410 O=C([O-])CC1CNC2=C1C=C(C=C2)Br Z4135118208 [0,1,0,0,0,0|1,0,2]=4 108 B15R2.13587 CC1=C2NC=C(C2=CC=C1)CC(=O)O Z1198148795 [0,1,0,0,0,0|1,0,0]=2 109 B15R2.13587 NC(=O)CC1=CNC2=C1C=CC=C2Br Z1269130594 [0,1,0,0,0,0|0,0,0]=1 110 B15R2.13587 NC1=C2C=CN(C2=CC=C1)CC(=O)O Z3067530366 [0,1,0,0,0,0|3,0,0]=4 111 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2Br Z1269161790 [0,1,0,0,0,0|1,0,0]=2 112 B15R2.13587 O=C(O)CC1=CNC2=C1C=CC=C2F Z1198266463 [0,1,0,0,0,0|1,0,0]=2 113 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Br Z1434712885 [0,1,0,0,0,0|2,0,0]=3 114 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2Cl Z1434712863 [0,1,0,0,0,0|2,0,0]=3 115 B15R2.13587 O=C(O)CC1=CSC2=C1C=CC=C2F Z1434712871 [0,1,0,0,0,0|2,0,0]=3 116 B15R2.13587 O=C(O)CN1C=CC2=C1C=CC=C2Cl Z1269231707 [0,1,0,0,0,0|3,0,0]=4 117 B15R2.13624 CC1=C2C(=CNC2=CC=C1)CC(=O)O Z978942564 [0,1,0,0,0,0|1,0,0]=2 118 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Br Z1269131875 [0,1,0,0,0,0|1,0,0]=2 119 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=C2)Cl Z1269128767 [0,1,0,0,0,0|1,0,0]=2 120 B15R2.13624 O=C(O)CC1=CNC2=C1C(=CC=N2)Cl Z2856150067 [0,1,0,0,0,0|2,0,0]=3 121 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)Cl Z2733267584 [0,1,0,0,0,0|2,0,0]=3 122 B15R2.13624 O=C(O)CC1=CSC2=C1C(=CC=C2)F Z2732947823 [0,1,0,0,0,0|2,0,0]=3 123 B15R2.53147 CC1=CN(C2=C1C=CC=C2)CC(=O)O Z415654038 [0,1,0,0,0,0|3,0,0]=4 124 B15R2.53147 CN1N=C(C2=C1C=CC=C2)CC(=O)O Z1268483039 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O Z19659059 [0,0,1,0,0,0|3,0,0]=4 126 B13R1.201 CC(=O)CC(=O)C1=C(C=CC=C1)Cl Z228582702 [0,0,1,0,0,0|3,0,0]=4 127 B13R1.201 NC(=O)C[C@@H](N)C1=C(C=CC=C1)Cl Z1346385532 [0,0,1,0,0,0|2,0,1]=4 128 B13R1.201 NC(=O)C[C@H](N)C1=C(C=CC=C1)Cl Z1696289879 [0,0,1,0,0,0|2,0,1]=4 129 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,1,0,0,0|1,0,2]=4 130 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,1,0,0,0|2,0,1]=4 131 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,1,0,0,0|2,0,1]=4 132 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,1,0,0,0|2,0,1]=4 133 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,1,0,0,0|1,0,2]=4 134 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,0,1,0,0,0|2,0,1]=4 135 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [0,0,1,0,0,0|2,0,1]=4 136 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,0,1,0,0,0|1,0,2]=4 137 B15R3.2009 NC1=NC2=C(S1)CC3=C2C=CC=C3 Z240125452 [0,0,0,1,0,0|2,1,0]=4 138 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 Z1255384489 [0,0,0,1,0,0|1,0,0]=2 139 B13R2.72 CC(=O)C1=C2C=CC=CN2N=C1 Z1255463709 [0,0,0,0,1,0|2,0,1]=4 140 B13R2.72 CC(=O)C1=CN=C2N1C=CC=C2 Z1255425112 [0,0,0,0,1,0|2,0,1]=4 141 B13R2.72 CC(=O)C1=CNC2=C1C=CC=N2 Z361892222 [0,0,0,0,1,0|2,0,0]=3 142 B13R2.72 CC(=O)C1=COC2=C1C=CC=C2 Z1066258200 [0,0,0,0,1,0|2,0,0]=3 143 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 Z370714364 [0,0,0,0,1,0|2,0,0]=3 144 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 Z1198176576 [0,0,0,0,1,0|2,0,0]=3 145 B13R2.72 CC(C)C1=CNC2=C1C=CC=C2 Z1262562313 [0,0,0,0,1,0|2,0,1]=4 146 B13R2.72 CC(N)C1=CSC2=C1C=CC=C2 Z370714584 [0,0,0,0,1,0|2,0,1]=4 147 B13R2.72 N=C(N)C1=CNC2=C1C=CC=C2 Z3300708685 [0,0,0,0,1,0|1,0,0]=2 148 B13R2.72 NC(=O)C1=C2C=CC=CN2N=N1 Z1216824822 [0,0,0,0,1,0|2,0,1]=4 149 B13R2.72 NC(=O)C1=CNC2=C1C=CC=C2 Z87615024 [0,0,0,0,1,0|0,0,0]=1 150 B13R2.72 NC(=O)C1=NSC2=C1C=CC=C2 Z1255488848 [0,0,0,0,1,0|2,0,0]=3 151 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,0,1,0|1,0,2]=4 152 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,0,1,0|0,0,2]=3 153 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,0,0,1,0|2,0,1]=4 154 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,0,0,0,1,0|2,0,1]=4 155 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,0,0,0,1,0|2,0,1]=4 156 B13R2.72 O=C(O)C1=C2C=CC=CN2N=C1 Z1143452918 [0,0,0,0,1,0|2,0,1]=4 157 B13R2.72 O=C(O)C1=CN=C2N1C=CC=C2 Z1201621330 [0,0,0,0,1,0|2,0,1]=4 158 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 Z89283908 [0,0,0,0,1,0|1,0,0]=2 159 B13R2.72 O=C(O)C1=CNC2=C1C=CC=N2 Z385370186 [0,0,0,0,1,0|2,0,0]=3 160 B13R2.72 O=C(O)C1=CNC2=C1C=NC=C2 Z4185705011 [0,0,0,0,1,0|2,0,0]=3 161 B13R2.72 O=C(O)C1=CNC2=C1C=NC=N2 Z1255460317 [0,0,0,0,1,0|3,0,0]=4 162 B13R2.72 O=C(O)C1=CNC2=C1N=CC=C2 Z1945708062 [0,0,0,0,1,0|2,0,0]=3 163 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 Z897816312 [0,0,0,0,1,0|2,0,0]=3 164 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 Z199507040 [0,0,0,0,1,0|2,0,0]=3 165 B13R2.72 O=C(O)C1=CSC2=C1C=CN=C2 Z4925961941 [0,0,0,0,1,0|3,0,0]=4 166 B13R2.72 O=C(O)C1=CSC2=C1C=NC=C2 Z4010561587 [0,0,0,0,1,0|3,0,0]=4 167 B13R2.72 O=C(O)C1=CSC2=C1N=CC=C2 Z1486016114 [0,0,0,0,1,0|3,0,0]=4 168 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,0,0,0,1,0|2,0,0]=3 169 B13R2.72 O=C(O)C1=NNC2=C1C=CC=N2 Z1198305721 [0,0,0,0,1,0|3,0,0]=4 170 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,0,0,0,1,0|3,0,0]=4 171 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=N2 Z1255431846 [0,0,0,0,1,0|3,0,0]=4 172 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [0,0,0,0,0,1|2,0,1]=4 173 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [0,0,0,0,0,1|1,0,0]=2 174 B15R2.6 N=C(N)NCC1=CSC2=C1C=CC=C2 Z1090048388 [0,0,0,0,0,1|2,0,0]=3 175 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [0,0,0,0,0,1|0,0,0]=1 176 B15R2.6 NC(=O)CON1N=NC2=C1C=CC=C2 Z25938723 [0,0,0,0,0,1|2,0,1]=4 177 B15R2.6 NC(=O)CSC1=NC=C2N1C=CC=C2 Z24719813 [0,0,0,0,0,1|3,0,0]=4 178 B15R2.6 NC(=O)CSC1=NN=C2N1C=CC=C2 Z20242347 [0,0,0,0,0,1|2,0,1]=4 179 B15R2.6 NC(=O)NCC1CSC2=C1C=CC=C2 Z2352559472 [0,0,0,0,0,1|1,0,2]=4 180 B15R2.6 O=C(O)/C=C/C1=CSC2=C1C=CC=C2 Z2942853122 [0,0,0,0,0,1|2,0,1]=4 181 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,0,0,0,1|2,0,0]=3 182 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [0,0,0,0,0,1|2,0,1]=4 183 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,0,0,1|1,0,0]=2 184 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,0,0,0,1|2,0,0]=3 185 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [0,0,0,0,0,1|3,0,0]=4 186 B15R2.1668 CC(=O)NC1=CC2=C(C=CC=C2)N=C1 Z240711528 [0,0,0,0,0,1|2,0,1]=4 187 B15R2.1668 CC(=O)NC1=NC2=C(C=CC=C2)C=C1 Z56983730 [0,0,0,0,0,1|3,0,0]=4 188 B15R2.1668 CC(N)CC1=CC2=C(C=CC=C2)C=C1 Z285143892 [0,0,0,0,0,1|2,0,1]=4 189 B15R2.1668 CC(N)CC1=NC2=C(C=CC=C2)C=C1 Z1696091757 [0,0,0,0,0,1|2,0,1]=4 190 B15R2.1668 N=C(N)CC1=NC2=C(C=CC=C2)C=C1 Z1272056498 [0,0,0,0,0,1|2,0,0]=3 191 B15R2.1668 NC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z33546100 [0,0,0,0,0,1|1,0,0]=2 192 B15R2.1668 NC(=O)CN1CCC2=C(C1)C=CC=C2 Z54752169 [0,0,0,0,0,1|2,0,1]=4 193 B15R2.1668 NC(=S)NC1=CC2=C(C=CC=C2)N=C1 Z1020738242 [0,0,0,0,0,1|1,1,1]=4 194 B15R2.1668 O=C(O)CC1=CC2=C(C=C1)N=CC=C2 Z351482708 [0,0,0,0,0,1|3,0,0]=4 195 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)C=C1 Z56754861 [0,0,0,0,0,1|2,0,0]=3 196 B15R2.1668 O=C(O)CC1=CC2=C(C=CC=C2)N=C1 Z982129790 [0,0,0,0,0,1|1,0,1]=3 197 B15R2.1668 O=C(O)CC1=CC2=C(C=CN=C2)C=C1 Z4909977063 [0,0,0,0,0,1|3,0,0]=4 198 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 Z368412990 [0,0,0,0,0,1|1,0,2]=4 199 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=CC=C1 Z28155790 [0,0,0,0,0,1|3,0,0]=4 200 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=C1 Z2686442062 [0,0,0,0,0,1|2,0,1]=4 201 B15R2.68122 CC(=O)NC1=C2C=CC=CC2=NC=N1 Z2686442039 [0,0,0,0,0,1|2,0,1]=4 202 B15R2.68122 NC(=O)CN1CCCC2=C1C=CC=C2 Z54752127 [0,0,0,0,0,1|2,0,1]=4 203 B15R2.68122 NC(=O)NC1=C2C=CC=CC2=CC=C1 Z56760711 [0,0,0,0,0,1|2,0,0]=3 204 B15R2.68122 NC(=O)NC1=C2C=CN=CC2=CC=C1 Z409678096 [0,0,0,0,0,1|3,0,0]=4 205 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CC=C1 Z57169437 [0,0,0,0,0,1|2,0,0]=3 206 B15R2.68122 O=C(O)CC1=C2C=CC=CC2=CN=C1 Z2515203657 [0,0,0,0,0,1|1,0,1]=3 207 B15R2.68122 O=C(O)CC1=C2C=CC=NC2=CC=C1 Z1198264558 [0,0,0,0,0,1|3,0,0]=4 208 B15R2.68122 O=C(O)CC1=C2C=CN=CC2=CC=C1 Z2687549129 [0,0,0,0,0,1|3,0,0]=4 209 B15R2.68122 O=C(O)CC1=C2N=CC=CC2=CC=C1 Z221523762 [0,0,0,0,0,1|3,0,0]=4 210 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,0,0,0,0,1|1,0,2]=4 211 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [1,0,1,0,0,0|1,0,1]=4 212 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [1,0,1,0,0,0|1,0,1]=4 213 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [1,0,1,0,0,0|1,0,1]=4 214 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [1,0,1,0,0,0|0,0,1]=3 215 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [1,0,1,0,0,0|1,0,1]=4 216 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [1,0,1,0,0,0|2,0,0]=4 217 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [1,0,1,0,0,0|2,0,0]=4 218 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [1,0,1,0,0,0|2,0,0]=4 219 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [1,0,1,0,0,0|2,0,0]=4 220 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [1,0,1,0,0,0|2,0,0]=4 221 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [1,0,1,0,0,0|2,0,0]=4 222 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [1,0,1,0,0,0|2,0,0]=4 223 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [1,0,1,0,0,0|2,0,0]=4 224 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [1,0,1,0,0,0|2,0,0]=4 225 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [1,0,1,0,0,0|1,0,0]=3 226 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,0,1,0,0,0|0,0,2]=4 227 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [1,0,1,0,0,0|1,0,1]=4 228 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,0,1,0,0,0|1,0,1]=4 229 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,0,1,0,0,0|1,0,1]=4 230 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,0,1,0,0,0|1,0,1]=4 231 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [1,0,1,0,0,0|1,0,1]=4 232 B12R2.1 CCC1=CNC2=C1C=CC=C2 Z1198159100 [2,0,0,0,0,0|0,0,1]=3 233 B12R2.1 CSC1=CNC2=C1C=CC=C2 Z1262562193 [2,0,0,0,0,0|1,0,1]=4 234 B12R2.1 N#CC1=CNC2=C1C=CC=C2 Z57204989 [2,0,0,0,0,0|0,0,2]=4 235 B12R2.1 NCC1=C2C=CC=CN2N=C1 Z2065464373 [2,0,0,0,0,0|1,0,1]=4 236 B12R2.1 NCC1=CN=C2N1C=CC=C2 Z3234882063 [2,0,0,0,0,0|1,0,1]=4 237 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [2,0,0,0,0,0|1,0,0]=3 238 B12R2.1 NCC1=CSC2=C1N=CC=C2 Z1618144423 [2,0,0,0,0,0|2,0,0]=4 239 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [2,0,0,0,0,0|2,0,0]=4 240 B12R2.1 NCC1=NSC2=C1C=CC=C2 Z2456396538 [2,0,0,0,0,0|2,0,0]=4 241 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [2,0,0,0,0,0|1,0,1]=4 242 B12R2.1 O=CC1=C2C=CC=CN2N=C1 Z1123806715 [2,0,0,0,0,0|1,0,1]=4 243 B12R2.1 O=CC1=CN=C2N1C=CC=C2 Z727564760 [2,0,0,0,0,0|1,0,1]=4 244 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [2,0,0,0,0,0|0,0,0]=2 245 B12R2.1 O=CC1=CNC2=C1C=CC=N2 Z57337365 [2,0,0,0,0,0|1,0,0]=3 246 B12R2.1 O=CC1=CNC2=C1C=CN=C2 Z1198176790 [2,0,0,0,0,0|1,0,0]=3 247 B12R2.1 O=CC1=CNC2=C1C=NC=C2 Z1079456084 [2,0,0,0,0,0|1,0,0]=3 248 B12R2.1 O=CC1=CNC2=C1C=NC=N2 Z1255425239 [2,0,0,0,0,0|2,0,0]=4 249 B12R2.1 O=CC1=CNC2=C1N=CC=C2 Z1203747933 [2,0,0,0,0,0|1,0,0]=3 250 B12R2.1 O=CC1=CNC2=C1N=CC=N2 Z1198277987 [2,0,0,0,0,0|2,0,0]=4 251 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [2,0,0,0,0,0|1,0,0]=3 252 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [2,0,0,0,0,0|1,0,0]=3 253 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [2,0,0,0,0,0|1,0,0]=3 254 B12R2.1 OCC1=CNC2=C1C=CC=C2 Z85923165 [2,0,0,0,0,0|0,0,1]=3 255 B12R2.1 OCC1=CNC2=C1C=CN=C2 Z2471603543 [2,0,0,0,0,0|1,0,1]=4 256 B12R2.1 OCC1=CSC2=C1C=CC=C2 Z385370244 [2,0,0,0,0,0|1,0,1]=4 257 B14R1.423 O=C(O)/C=C/C(=O)NC1=CC=CC=C1 Z56176633 [0,1,1,0,0,0|1,0,1]=4 258 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,1,1,0,0,0|1,0,1]=4 259 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,1,1,0,0,0|2,0,0]=4 260 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [0,1,1,0,0,0|2,0,0]=4 261 B14R1.6455 CC(=O)N(CC(=O)N)C1=CC=CC=C1 Z247511056 [0,1,1,0,0,0|2,0,0]=4 262 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 Z1787158574 [1,1,0,0,0,0|1,0,1]=4 263 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [1,1,0,0,0,0|0,0,1]=3 264 B14R2.7 CC1=C2NC=C(C2=CC=C1)CC#N Z1198165196 [1,1,0,0,0,0|0,0,2]=4 265 B14R2.7 CC1=C2NC=C(C2=CC=C1)CCN Z1203159755 [1,1,0,0,0,0|0,0,1]=3 266 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Br Z1269155333 [1,1,0,0,0,0|0,0,2]=4 267 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)Cl Z1198263975 [1,1,0,0,0,0|0,0,2]=4 268 B14R2.7 N#CCC1=CNC2=C(C=CC=C12)F Z1198266461 [1,1,0,0,0,0|0,0,2]=4 269 B14R2.7 NCCC1=CNC2=C1C=CC=C2Br Z3241252952 [1,1,0,0,0,0|0,0,1]=3 270 B14R2.7 NCCC1=CNC2=C1C=CC=C2Cl Z2690204189 [1,1,0,0,0,0|0,0,1]=3 271 B14R2.7 NCCC1=CNC2=C1C=CC=C2F Z2940229235 [1,1,0,0,0,0|0,0,1]=3 272 B14R2.95 NCC(=O)C1=CNC2=C1C=CC=C2 Z3218021616 [1,1,0,0,0,0|0,0,2]=4 273 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 Z56955973 [1,1,0,0,0,0|1,0,1]=4 274 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CC#N Z410711548 [1,1,0,0,0,0|0,0,2]=4 275 B14R2.467 CC1=CC2=C(C=C1)C(=CN2)CCN Z410711590 [1,1,0,0,0,0|0,0,1]=3 276 B14R2.467 CCCC1=CNC2=C1C=CC(=C2)O Z1216831061 [1,1,0,0,0,0|1,0,1]=4 277 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Br Z978942444 [1,1,0,0,0,0|0,0,2]=4 278 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)Cl Z410711530 [1,1,0,0,0,0|0,0,2]=4 279 B14R2.467 N#CCC1=CNC2=C1C=CC(=C2)F Z410711556 [1,1,0,0,0,0|0,0,2]=4 280 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Br Z3235022918 [1,1,0,0,0,0|0,0,1]=3 281 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)Cl Z234895789 [1,1,0,0,0,0|0,0,1]=3 282 B14R2.467 NCCC1=CNC2=C1C=CC(=C2)F Z2724334834 [1,1,0,0,0,0|0,0,1]=3 283 B14R2.510 CN1C=C(C2=C1C=CC=C2)CC#N Z1198184446 [1,1,0,0,0,0|0,0,2]=4 284 B14R2.510 CN1C=C(C2=C1C=CC=C2)CCN Z2492749416 [1,1,0,0,0,0|0,0,1]=3 285 B14R2.510 CN1N=C(C2=C1C=CC=C2)CCN Z1268480764 [1,1,0,0,0,0|1,0,1]=4 286 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CC#N Z57921853 [1,1,0,0,0,0|0,0,2]=4 287 B14R2.517 CC1=C(C2=C(N1)C=CC=C2)CCN Z336079656 [1,1,0,0,0,0|0,0,1]=3 288 B14R2.517 NCCC1C(=O)NC2=C1C=CC=C2 Z235344885 [1,1,0,0,0,0|0,0,2]=4 289 B14R2.517 NCCN1C(=O)NC2=C1C=CC=C2 Z1354416053 [1,1,0,0,0,0|1,0,1]=4 290 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CC#N Z410711540 [1,1,0,0,0,0|0,0,2]=4 291 B14R2.6368 CC1=C2C(=CNC2=CC=C1)CCN Z234896787 [1,1,0,0,0,0|0,0,1]=3 292 B14R2.6368 CC1=C2C(=CNC2=NC=C1)CCN Z2752645312 [1,1,0,0,0,0|1,0,1]=4 293 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Br Z1269165311 [1,1,0,0,0,0|0,0,2]=4 294 B14R2.6368 N#CCC1=CNC2=CC=CC(=C12)Cl Z1198155856 [1,1,0,0,0,0|0,0,2]=4 295 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)Br Z2130641487 [1,1,0,0,0,0|0,0,1]=3 296 B14R2.6368 NCCC1=CNC2=C1C(=CC=C2)F Z3301406433 [1,1,0,0,0,0|0,0,1]=3 297 B14R2.6419 CC1=CC2=C(C=C1)NC=C2CCN Z2106599153 [1,1,0,0,0,0|0,0,1]=3 298 B14R2.6419 CC1=NC2=C(C=C1)NC=C2CCN Z2798529206 [1,1,0,0,0,0|1,0,1]=4 299 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Br Z410711512 [1,1,0,0,0,0|0,0,2]=4 300 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)Cl Z1162450204 [1,1,0,0,0,0|0,0,2]=4 301 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)F Z1160903139 [1,1,0,0,0,0|0,0,2]=4 302 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)N Z1255366408 [1,1,0,0,0,0|0,0,2]=4 303 B14R2.6419 N#CCC1=CNC2=C1C=C(C=C2)O Z1198149461 [1,1,0,0,0,0|0,0,2]=4 304 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Br Z2760930339 [1,1,0,0,0,0|0,0,1]=3 305 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)Cl Z1266933935 [1,1,0,0,0,0|0,0,1]=3 306 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)F Z1741960310 [1,1,0,0,0,0|0,0,1]=3 307 B14R2.6419 NCCC1=CNC2=C1C=C(C=C2)O Z1741979085 [1,1,0,0,0,0|0,0,1]=3 308 B14R2.6419 NCCC1=CNC2=C1C=C(C=N2)F Z3386766102 [1,1,0,0,0,0|1,0,1]=4 309 B14R2.6419 NCCC1=CSC2=C1C=C(C=C2)Br Z1269157473 [1,1,0,0,0,0|1,0,1]=4 310 B14R2.286 NS(=O)(=O)C1=COC2=C1C=CC=C2 Z2963159684 [0,1,0,0,1,0|2,0,0]=4 311 B14R2.286 NS(=O)(=O)C1=CSC2=C1C=CC=C2 Z1160860142 [0,1,0,0,1,0|2,0,0]=4 312 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Br Z916008286 [0,1,0,0,1,0|1,0,0]=3 313 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)Cl Z385445058 [0,1,0,0,1,0|1,0,0]=3 314 B14R2.300 CC(=O)C1=CNC2=C1C=CC(=C2)F Z234897299 [0,1,0,0,1,0|1,0,0]=3 315 B14R2.300 CC1=CC2=C(C=C1)C(=CN2)C(=O)O Z385446074 [0,1,0,0,1,0|1,0,0]=3 316 B14R2.300 CC1=CC2=C(C=C1)C(=CO2)C(=O)O Z2732532560 [0,1,0,0,1,0|2,0,0]=4 317 B14R2.300 CC1=CC2=C(C=C1)C(=CS2)C(=O)O Z1198162465 [0,1,0,0,1,0|2,0,0]=4 318 B14R2.300 CC1=CC2=C(C=C1)C(=NN2)C(=O)O Z1198173186 [0,1,0,0,1,0|2,0,0]=4 319 B14R2.300 NC(=O)C1=CNC2=C1C=CC(=C2)N Z2517097636 [0,1,0,0,1,0|0,0,0]=2 320 B14R2.300 NC(=O)C1=COC2=C1C=CC(=C2)F Z1948588649 [0,1,0,0,1,0|1,0,0]=3 321 B14R2.300 NC1=CC2=C(C=C1)C(=CN2)C(=O)O Z802851824 [0,1,0,0,1,0|1,0,0]=3 322 B14R2.300 NC1=CC2=C(C=C1)C(=NN2)C(=O)O Z1198174628 [0,1,0,0,1,0|2,0,0]=4 323 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)Cl Z385446076 [0,1,0,0,1,0|1,0,0]=3 324 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)F Z385446078 [0,1,0,0,1,0|1,0,0]=3 325 B14R2.300 O=C(O)C1=CNC2=C1C=CC(=C2)O Z1198341555 [0,1,0,0,1,0|1,0,0]=3 326 B14R2.300 O=C(O)C1=COC2=C1C=CC(=C2)F Z1551924183 [0,1,0,0,1,0|2,0,0]=4 327 B14R2.300 O=C(O)C1=COC2=C1C=CC(=C2)O Z1197866402 [0,1,0,0,1,0|2,0,0]=4 328 B14R2.300 O=C(O)C1=CSC2=C1C=CC(=C2)Br Z1618132968 [0,1,0,0,1,0|2,0,0]=4 329 B14R2.642 CC(=O)C1=C(NC2=C1C=CC=C2)C Z57205010 [0,1,0,0,1,0|1,0,0]=3 330 B14R2.642 CC(=O)C1=C(OC2=C1C=CC=C2)C Z276572636 [0,1,0,0,1,0|2,0,0]=4 331 B14R2.642 CC1=C(C2=C(N1)C=CC=C2)C(=O)O Z147652322 [0,1,0,0,1,0|1,0,0]=3 332 B14R2.642 CC1=C(C2=C(N1)N=CC=C2)C(=O)O Z1255363703 [0,1,0,0,1,0|2,0,0]=4 333 B14R2.642 CC1=C(C2=C(O1)C=CC=C2)C(=O)O Z1198157052 [0,1,0,0,1,0|2,0,0]=4 334 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)N Z1724114279 [0,1,0,0,1,0|1,0,1]=4 335 B14R2.642 O=C(O)C1=C(OC2=C1C=CC=C2)Cl Z1813244866 [0,1,0,0,1,0|2,0,0]=4 336 B14R2.642 O=C(O)C1=C(SC2=C1C=CC=C2)Br Z2044811851 [0,1,0,0,1,0|2,0,0]=4 337 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)Br Z382706242 [0,1,0,0,1,0|1,0,0]=3 338 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=C2)C Z1138836442 [0,1,0,0,1,0|1,0,0]=3 339 B14R2.5816 CC(=O)C1=CNC2=C1C=C(C=N2)Br Z1269216632 [0,1,0,0,1,0|2,0,0]=4 340 B14R2.5816 CC(=O)C1=CSC2=C1C=C(C=C2)Br Z1269126890 [0,1,0,0,1,0|2,0,0]=4 341 B14R2.5816 CC1=CC2=C(C=C1)NC=C2C(=O)O Z1138836780 [0,1,0,0,1,0|1,0,0]=3 342 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)N Z394875046 [0,1,0,0,1,0|1,0,0]=3 343 B14R2.5816 CC1=CC2=C(C=C1)NN=C2C(=O)O Z359384098 [0,1,0,0,1,0|2,0,0]=4 344 B14R2.5816 CC1=CC2=C(C=C1)OC=C2C(=O)O Z1262557910 [0,1,0,0,1,0|2,0,0]=4 345 B14R2.5816 CC1=CC2=C(C=C1)SC=C2C(=O)O Z1262514539 [0,1,0,0,1,0|2,0,0]=4 346 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)Br Z1173800291 [0,1,0,0,1,0|1,0,0]=3 347 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)Cl Z1262651069 [0,1,0,0,1,0|1,0,0]=3 348 B14R2.5816 NC(=O)C1=NNC2=C1C=C(C=C2)N Z846915596 [0,1,0,0,1,0|1,0,0]=3 349 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)Br Z147652440 [0,1,0,0,1,0|1,0,0]=3 350 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=C2)F Z1160903087 [0,1,0,0,1,0|1,0,0]=3 351 B14R2.5816 O=C(O)C1=CNC2=C1C=C(C=N2)Br Z1269130034 [0,1,0,0,1,0|2,0,0]=4 352 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)Br Z1267805736 [0,1,0,0,1,0|2,0,0]=4 353 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)F Z1262556214 [0,1,0,0,1,0|2,0,0]=4 354 B14R2.5816 O=C(O)C1=COC2=C1C=C(C=C2)O Z1255392768 [0,1,0,0,1,0|2,0,0]=4 355 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)Br Z329734226 [0,1,0,0,1,0|2,0,0]=4 356 B14R2.5816 O=C(O)C1=CSC2=C1C=C(C=C2)F Z1255461980 [0,1,0,0,1,0|2,0,0]=4 357 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Br Z1134126538 [0,1,0,0,1,0|2,0,0]=4 358 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)Cl Z291279216 [0,1,0,0,1,0|2,0,0]=4 359 B14R2.5816 O=C(O)C1=NNC2=C1C=C(C=C2)F Z1198163375 [0,1,0,0,1,0|2,0,0]=4 360 B14R2.5816 O=[N+]([O-])C1=CNC2=C1C=C(C=C2)Cl Z1198275379 [0,1,0,0,1,0|2,0,0]=4 361 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2Br Z1322792947 [0,1,0,0,1,0|1,0,0]=3 362 B14R2.8032 CC(=O)C1=CNC2=C1C=CC=C2C Z1198233123 [0,1,0,0,1,0|1,0,0]=3 363 B14R2.8032 CC(=O)C1=COC2=C1C=CC=C2C Z1255424571 [0,1,0,0,1,0|2,0,0]=4 364 B14R2.8032 CC1=C2OC=C(C2=CC=C1)C(=O)O Z1255381806 [0,1,0,0,1,0|2,0,0]=4 365 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2Br Z1143220556 [0,1,0,0,1,0|1,0,0]=3 366 B14R2.8032 O=C(O)C1=CNC2=C1C=CC=C2F Z1198266509 [0,1,0,0,1,0|1,0,0]=3 367 B14R2.8032 O=C(O)C1=COC2=C1C=CC=C2F Z1267805638 [0,1,0,0,1,0|2,0,0]=4 368 B14R2.8032 O=C(O)C1=CSC2=C1C=CC=C2Cl Z3242859734 [0,1,0,0,1,0|2,0,0]=4 369 B14R2.8053 CC(=O)C1=CNC2=C1C(=CC=C2)Br Z1322794803 [0,1,0,0,1,0|1,0,0]=3 370 B14R2.8053 CC1=C2C(=CC=C1)NC=C2C(=O)O Z385446072 [0,1,0,0,1,0|1,0,0]=3 371 B14R2.8053 NC(=O)C1=CNC2=C1C(=NC=N2)Cl Z1509200766 [0,1,0,0,1,0|2,0,0]=4 372 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)Br Z1269168514 [0,1,0,0,1,0|1,0,0]=3 373 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)Cl Z1198174064 [0,1,0,0,1,0|1,0,0]=3 374 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=C2)F Z1198266510 [0,1,0,0,1,0|1,0,0]=3 375 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=N2)Br Z1269179670 [0,1,0,0,1,0|2,0,0]=4 376 B14R2.8053 O=C(O)C1=CNC2=C1C(=CC=N2)Cl Z1198235861 [0,1,0,0,1,0|2,0,0]=4 377 B14R2.8053 O=C(O)C1=COC2=C1C(=CC=C2)O Z1198223688 [0,1,0,0,1,0|2,0,0]=4 378 B14R2.8053 O=C(O)C1=CSC2=C1C(=CC=C2)Br Z1504678741 [0,1,0,0,1,0|2,0,0]=4 379 B14R2.8053 O=C(O)C1=NNC2=C1C(=CC=C2)Br Z1269229158 [0,1,0,0,1,0|2,0,0]=4 380 B14R2.25733 CC(=O)C1=CN(C2=C1C=CC=C2)C Z57070074 [0,1,0,0,1,0|1,0,0]=3 381 B14R2.25733 CN1C=C(C2=C1C=CC=C2)C(=O)N Z101185994 [0,1,0,0,1,0|0,0,0]=2 382 B14R2.25733 CN1C=C(C2=C1C=CC=C2)C(=O)O Z90124414 [0,1,0,0,1,0|1,0,0]=3 383 B14R2.25733 CN1N=C(C2=C1C=CC=C2)C(=O)O Z1090114528 [0,1,0,0,1,0|2,0,0]=4 384 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,1,0,0,0,1|1,0,0]=3 385 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,1,0,0,0,1|2,0,0]=4 386 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,1,0,0,0,1|2,0,0]=4 387 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,1,0,0,0,1|2,0,0]=4 388 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,1,0,0,0,1|2,0,0]=4 389 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,1,0,0,0,1|1,0,0]=3 390 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,1,0,0,0,1|1,0,0]=3 391 B16R2.14 C=CC(=O)NCC1=COC2=C1C=CC=C2 Z2867516508 [0,1,0,0,0,1|2,0,0]=4 392 B16R2.14 C=CC(=O)NCC1=CSC2=C1C=CC=C2 Z2738284108 [0,1,0,0,0,1|2,0,0]=4 393 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [0,1,0,0,0,1|0,0,0]=2 394 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [0,1,0,0,0,1|1,0,0]=3 395 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [0,1,0,0,0,1|1,0,0]=3 396 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [0,1,0,0,0,1|1,0,0]=3 397 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [0,1,0,0,0,1|1,0,0]=3 398 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [0,1,0,0,0,1|1,0,0]=3 399 B16R2.4003 CC1=NC2=C(N1CCC(=O)N)C=CC=C2 Z53116498 [0,1,0,0,0,1|1,0,1]=4 400 B16R2.4003 N=C(N)N/N=C\1/C(=O)NC2=C1C=CC=C2 Z56790696 [0,1,0,0,0,1|2,0,0]=4 401 B16R2.4003 NC(=O)N/N=C\1/C(=O)NC2=C1C=CC=C2 Z49560581 [0,1,0,0,0,1|1,0,0]=3 402 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [0,1,0,0,0,1|1,0,1]=4 403 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [0,1,0,0,0,1|1,0,0]=3 404 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [0,1,0,0,0,1|1,0,0]=3 405 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [0,1,0,0,0,1|1,0,0]=3 406 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [0,1,0,0,0,1|1,0,0]=3 407 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [0,1,0,0,0,1|1,0,0]=3 408 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O Z2942853389 [0,1,0,0,0,1|1,0,1]=4 409 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [0,1,0,0,0,1|1,0,0]=3 410 B16R2.3989 NC(=O)CC1=CC2=C(C=CC=C2)NC1=O Z458888656 [0,1,0,0,0,1|0,0,0]=2 411 B16R2.3989 NC(=O)CN1CC2=C(C=CC=C2)OC1=O Z1509385480 [0,1,0,0,0,1|2,0,0]=4 412 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)NC1=O Z382686514 [0,1,0,0,0,1|1,0,0]=3 413 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O Z1508918263 [0,1,0,0,0,1|2,0,0]=4 414 B16R2.3989 O=C(O)CC1CC2=C(C=CC=C2)NC1=O Z1508926265 [0,1,0,0,0,1|1,0,1]=4 415 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O Z57983005 [0,1,0,0,0,1|1,0,1]=4 416 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O Z56968775 [0,1,0,0,0,1|1,0,1]=4 417 B16R2.5347 COC(=O)CC1=CC2=C(C=CC=C2)C=C1 Z24428842 [0,1,0,0,0,1|2,0,0]=4 418 B16R2.5347 NCC(=O)NC1=CC2=C(C=CC=C2)N=C1 Z445431528 [0,1,0,0,0,1|1,0,1]=4 419 B16R2.5347 O=C(CC1=CC2=C(C=CC=C2)C=C1)NO Z59184054 [0,1,0,0,0,1|1,0,0]=3 420 B16R2.6284 CC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z792377286 [0,1,0,0,0,1|2,0,0]=4 421 B16R2.6284 NC(=O)C(N)C1=CC2=C(C=CC=C2)C=C1 Z477338152 [0,1,0,0,0,1|1,0,0]=3 422 B16R2.6284 NC(C(=O)O)C1=CC2=C(C=CC=C2)C=C1 Z2028214384 [0,1,0,0,0,1|2,0,0]=4 423 B16R2.11988 O=C(O)CC1=CC2=C(C=C1)C=C(C=C2)O Z1508923768 [0,1,0,0,0,1|2,0,0]=4 424 B16R2.24933 NC(=O)CC1=CC2=C(C=CC=C2)C(=O)N1 Z3476794993 [0,1,0,0,0,1|2,0,0]=4 425 B16R2.83538 NC(=O)CN1C=NC2=C(C1=O)C=CC=C2 Z33547038 [0,1,0,0,0,1|1,0,1]=4 426 B16R2.83538 O=C(O)CC1=C(C2=C(C=CC=C2)C=C1)Br Z57984227 [0,1,0,0,0,1|2,0,0]=4 427 B16R2.83538 O=C(O)CC1=C(C2=C(C=CC=C2)N=C1)O Z3243471616 [0,1,0,0,0,1|1,0,1]=4 428 B16R2.333 NC(=O)CN1C(=O)C=CC2=C1C=CC=C2 Z1192340195 [0,1,0,0,0,1|2,0,0]=4 429 B16R2.333 NC(=O)CN1C(=O)C=NC2=C1C=CC=C2 Z19025264 [0,1,0,0,0,1|1,0,1]=4 430 B16R2.333 NC(=O)CN1C(=O)COC2=C1C=CC=C2 Z33545997 [0,1,0,0,0,1|2,0,0]=4 431 B16R2.3995 O=C(O)CC1=C2C=CC=CC2=CC(=C1)Cl Z1509521187 [0,1,0,0,0,1|2,0,0]=4 432 B16R2.3995 O=C(O)CC1CC(=O)NC2=C1C=CC=C2 Z1508926223 [0,1,0,0,0,1|1,0,1]=4 433 B16R2.24414 NC(=O)CN1C=CC(=O)C2=C1C=CC=C2 Z852767170 [0,1,0,0,0,1|2,0,0]=4 434 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)Br Z1509529119 [0,1,0,0,0,1|2,0,0]=4 435 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)O Z1508927484 [0,1,0,0,0,1|2,0,0]=4 436 B16R2.24414 O=C(O)CC1=NNC(=O)C2=C1C=CC=C2 Z56871698 [0,1,0,0,0,1|2,0,0]=4 437 B16R2.170412 CNC(=O)CC1=C2C=CC=CC2=CC=C1 Z32016286 [0,1,0,0,0,1|1,0,0]=3 438 B16R2.170412 CNC(=O)NC1=C2C=CC=CC2=CC=C1 Z55293777 [0,1,0,0,0,1|2,0,0]=4 439 B16R2.170412 CNC(=O)OC1=C2C=CC=CC2=CC=C1 Z90123586 [0,1,0,0,0,1|2,0,0]=4 440 B16R2.170412 COC(=O)CC1=C2C=CC=CC2=CC=C1 Z19679503 [0,1,0,0,0,1|2,0,0]=4 441 B16R2.170412 NCC(=O)NC1=C2C=CC=CC2=CC=C1 Z234896387 [0,1,0,0,0,1|2,0,0]=4 442 B16R2.170412 NNC(=O)CC1=C2C=CC=CC2=CC=C1 Z57205730 [0,1,0,0,0,1|1,0,0]=3 443 B16R2.170412 O=C(CC1=C2C=CC=CC2=CC=C1)NO Z59181929 [0,1,0,0,0,1|1,0,0]=3 444 B16R2.244415 NC(C(=O)O)C1=C2C=CC=CC2=CC=C1 Z2865657276 [0,1,0,0,0,1|2,0,0]=4 445 B16R2.5 CCNC(=O)CN1C=CC2=C1C=CC=C2 Z755044730 [0,2,0,0,0,0|2,0,0]=4 446 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C Z2719882774 [0,2,0,0,0,0|1,0,1]=4 447 B16R2.33562 CC1=NC2=C(N1CC(=O)NN)C=CC=C2 Z56782959 [0,2,0,0,0,0|1,0,1]=4 448 B16R2.176317 COC(=O)CC1=CNC2=C1C(=CC=C2)Cl Z1509586342 [0,2,0,0,0,0|1,0,0]=3 449 B16R2.176359 CNC(=O)CN1C=CC2=C1C=C(C=C2)N Z414315178 [0,2,0,0,0,0|2,0,0]=4 450 B16R2.2977 CC(C)(N)CC1=CNC2=C1C=CC(=C2)Br Z1509517053 [0,2,0,0,0,0|1,0,1]=4 451 B16R2.2977 CC1=CC2=C(C=C1)C(=CN2)CC(C)(C)N Z1509175185 [0,2,0,0,0,0|1,0,1]=4 452 B16R2.15533 CC(C)(N)CC1=CNC2=C1C=C(C=C2)Br Z3461683569 [0,2,0,0,0,0|1,0,1]=4 453 B16R2.22622 CC(C)(N)CC1=CNC2=C1C=CC=C2Br Z3477787946 [0,2,0,0,0,0|1,0,1]=4 454 B16R2.22905 CC(C)(N)CC1=CNC2=C1C(=CC=C2)Br Z3477782909 [0,2,0,0,0,0|1,0,1]=4 455 B16R2.2482 CCC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56943571 [0,2,0,0,0,0|2,0,0]=4 456 B16R2.2482 COC1=CC2=C(C=C1)C(=CN2)CC(=O)O Z1508926276 [0,2,0,0,0,0|1,0,0]=3 457 B16R2.2482 COC1=CC2=C(C=C1)C(=CO2)CC(=O)O Z56943768 [0,2,0,0,0,0|2,0,0]=4 458 B16R2.2982 NC(=O)CN1C(=O)OC2=C1C=CC(=C2)Br Z397955404 [0,2,0,0,0,0|2,0,0]=4 459 B16R2.2982 NC(=O)CN1C(=O)OC2=C1C=CC(=C2)Cl Z98996956 [0,2,0,0,0,0|2,0,0]=4 460 B16R2.13690 CC(N)CC1=CNC2=C1C=C(C(=C2)F)F Z3068483325 [0,2,0,0,0,0|1,0,1]=4 461 B16R2.13690 CC1=C(C=C2C(=COC2=C1)CC(=O)O)C Z55928834 [0,2,0,0,0,0|2,0,0]=4 462 B16R2.24545 CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O)C Z55928899 [0,2,0,0,0,0|2,0,0]=4 463 B16R2.24545 CC1=C2OC=C(C2=CC=C1Cl)CC(=O)O Z2602595587 [0,2,0,0,0,0|2,0,0]=4 464 B16R2.24545 O=C(O)CC1=COC2=C1C=CC(=C2Cl)Cl Z1434712721 [0,2,0,0,0,0|2,0,0]=4 465 B16R2.24545 O=C(O)CC1=COC2=C1C=CC(=C2F)F Z1434712820 [0,2,0,0,0,0|2,0,0]=4 466 B16R2.24600 CC1=CC2=C(C=C1)C(=CN2C)CC(=O)O Z1509702674 [0,2,0,0,0,0|1,0,0]=3 467 B16R2.4001 CC(=O)CC1(C(=O)NC2=C1C=CC=C2)O Z56757977 [0,2,0,0,0,0|1,0,1]=4 468 B16R2.4002 CC1=C(C2=C(N1)C=CC=C2)C(=O)C(=O)O Z154210920 [0,2,0,0,0,0|1,0,1]=4 469 B16R2.4002 NC(=O)C(=O)C1C(=O)NC2=C1C=CC=C2 Z1509208188 [0,2,0,0,0,0|0,0,2]=4 470 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)O Z381031930 [0,2,0,0,0,0|1,0,0]=3 471 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O Z335243288 [0,2,0,0,0,0|1,0,0]=3 472 B16R2.12021 O=C(O)CC1C(=O)NC2=C1C=C(C=C2)F Z1251197787 [0,2,0,0,0,0|1,0,1]=4 473 B16R2.44951 CN1C(=O)N(C2=C1C=CC=C2)CC(=O)O Z227266274 [0,2,0,0,0,0|2,0,0]=4 474 B16R2.93202 O=C(O)CC1C(=O)NC2=C(C=CC=C12)Br Z1251197713 [0,2,0,0,0,0|1,0,1]=4 475 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C Z1508922062 [0,2,0,0,0,0|1,0,0]=3 476 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N Z407486572 [0,2,0,0,0,0|0,0,0]=2 477 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O Z385472506 [0,2,0,0,0,0|1,0,0]=3 478 B16R2.36785 CCC1=C2NC=C(C2=CC=C1)CC(=O)O Z978942544 [0,2,0,0,0,0|1,0,0]=3 479 B16R2.75436 CCN1C=C(C2=C1C=CC=C2)CC(=O)O Z335289908 [0,2,0,0,0,0|1,0,0]=3 480 B16R2.75436 O=CN1C=C(C2=C1C=CC=C2)CC(=O)O Z1508950727 [0,2,0,0,0,0|1,0,0]=3 481 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)C=C1 Z33546615 [0,0,1,1,0,0|1,0,1]=4 482 B14R2.781 NC(=O)C1CNC2=C(C1)C=CC=C2 Z1029445920 [0,0,1,1,0,0|0,0,2]=4 483 B14R2.781 NC(=O)C1CNC2=C(O1)C=CC=C2 Z57028529 [0,0,1,1,0,0|1,0,1]=4 484 B14R2.256 NC1=C(C=CC=C1)C2CNC(=O)C2 Z3242235283 [0,0,1,1,0,0|0,0,2]=4 485 B14R2.256 O=C1CC(=NN1)C2=C(C=CC=C2)Cl Z3222424431 [0,0,1,1,0,0|2,0,0]=4 486 B14R2.256 O=C1CC(=NN1)C2=C(C=CC=C2)O Z56174893 [0,0,1,1,0,0|2,0,0]=4 487 B14R2.28480 NC1=C2C(=O)NC(=O)NC2=CC=C1 Z1262634750 [0,0,1,1,0,0|2,0,0]=4 488 B14R2.19 O=C1CSC(=N1)NC2=CC=CC=C2 Z56839764 [0,0,1,1,0,0|1,0,1]=4 489 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 Z33546921 [0,0,1,1,0,0|1,0,1]=4 490 B14R2.31359 NC(=O)C1CCNC2=C1C=CC=C2 Z1255503269 [0,0,1,1,0,0|0,0,2]=4 491 B14R2.768 NC(=O)CC1=CN2C=CC=CC2=N1 Z90663557 [0,0,1,1,0,0|1,0,0]=3 492 B14R2.768 NC(=S)CC1=CN2C=CC=CC2=N1 Z278210514 [0,0,1,1,0,0|1,1,0]=4 493 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [0,0,1,1,0,0|1,0,1]=4 494 B14R2.598 O=C1CN(C(=O)N1)C2=CC=CC=C2 Z57138521 [0,0,1,1,0,0|2,0,0]=4 495 B14R2.1146 NCC1=CC(=O)NC2=C1C=CC=C2 Z1259162071 [0,0,1,1,0,0|0,0,2]=4 496 B14R2.1146 NCC1CC(=O)NC2=C1C=CC=C2 Z1170758560 [0,0,1,1,0,0|0,0,2]=4 497 B14R2.9440 CC(=O)NC1=C2NC=CC2=CC=C1 Z1255459547 [0,0,1,1,0,0|2,0,0]=4 498 B14R2.9440 O=C(O)CC1=C2OC=CC2=CC=C1 Z1262528395 [0,0,1,1,0,0|2,0,0]=4 499 B14R2.9440 O=[N+]([O-])CC1=C2NC=CC2=CC=C1 Z3271364254 [0,0,1,1,0,0|2,0,0]=4 500 B14R3.49 C1=CC2=C(C=C1)C3=C(N2)CCC3 Z57479476 [1,0,0,1,0,0|1,0,1]=4 501 B16R3.335 O=C1CC2=C(O1)C3=C(C=CC=C3)C=C2 Z2378838906 [0,0,0,1,0,1|2,0,0]=4 502 B16R3.2273 O=C1NC2=C(O1)C=C3C=CC=CC3=C2 Z56763438 [0,0,0,1,0,1|2,0,0]=4 503 B16R3.27088 O=C1NC2=CC=CC3=CC=CC(=C23)N1 Z366638998 [0,0,0,1,0,1|2,0,0]=4 504 B12R1.75 C#CC1=C(C=CC=C1)CC(=O)N Z1262691146 [0,0,1,0,1,0|1,0,1]=4 505 B12R1.75 COC1=C(C=CC=C1)CC(=O)N Z33545381 [0,0,1,0,1,0|1,0,1]=4 506 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [0,0,1,0,1,0|2,0,0]=4 507 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,1,0,1,0|0,0,1]=3 508 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,1,0,1,0|1,0,1]=4 509 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,1,0,1,0|1,0,1]=4 510 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,1,0,1,0|1,0,1]=4 511 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,1,0,1,0|1,0,1]=4 512 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,1,0,1,0|2,0,0]=4 513 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,1,0,1,0|1,0,1]=4 514 B14R1.160 NC(=O)COC(=O)C1=C(C=CC=C1)Br Z19670143 [0,0,1,0,0,1|2,0,0]=4 515 B14R1.160 NC(=O)COC(=O)C1=C(C=CC=C1)Cl Z19671704 [0,0,1,0,0,1|2,0,0]=4 516 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,0,1,0,0,1|2,0,0]=4 517 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)[O-] Z4994098029 [0,0,1,0,0,1|2,0,0]=4 518 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 Z381785718 [1,0,0,0,0,1|1,0,1]=4 519 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 Z285143746 [1,0,0,0,0,1|1,0,1]=4 520 B14R2.7150 NNCC1=C2C=CC=CC2=CC=C1 Z406679924 [1,0,0,0,0,1|2,0,0]=4 521 B14R2.7150 O=CCC1=C2C=CC=CC2=CC=C1 Z1020779918 [1,0,0,0,0,1|1,0,0]=3 522 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [0,0,0,0,0,2|1,0,0]=3 523 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [0,0,0,0,0,2|1,0,0]=3 524 B16R2.36 NC(=S)N/N=C/C1=CNC2=C1C=CC=C2 Z49561640 [0,0,0,0,0,2|0,1,1]=4 525 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [0,0,0,0,0,2|1,0,0]=3 526 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [0,0,0,0,0,2|2,0,0]=4 527 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [0,0,0,0,0,2|2,0,0]=4 528 B16R2.477 N=C(N)COC1=CC2=C(C=CC=C2)C=C1 Z4450271701 [0,0,0,0,0,2|2,0,0]=4 529 B16R2.477 NC(=NCC1=CC2=C(C=CC=C2)C=C1)N Z2518200317 [0,0,0,0,0,2|2,0,0]=4 530 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z19834621 [0,0,0,0,0,2|1,0,0]=3 531 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)C=C1 Z19647382 [0,0,0,0,0,2|1,0,0]=3 532 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)CS1 Z104347250 [0,0,0,0,0,2|2,0,0]=4 533 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)N=C1 Z33546141 [0,0,0,0,0,2|0,0,1]=3 534 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [0,0,0,0,0,2|2,0,0]=4 535 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [0,0,0,0,0,2|1,0,1]=4 536 B16R2.477 O=C(O)COC1=CC2=C(C=CC=C2)C=C1 Z57246951 [0,0,0,0,0,2|2,0,0]=4 537 B16R2.477 O=C(O)CSC1=CC2=C(C=CC=C2)C=C1 Z56755986 [0,0,0,0,0,2|2,0,0]=4 538 B16R2.477 O=C(O)CSC1=NC2=C(C=CC=C2)N=C1 Z57040471 [0,0,0,0,0,2|1,0,1]=4 539 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [0,0,0,0,0,2|1,0,1]=4 540 B16R2.179941 CC(=O)COC1=C2C=CC=CC2=NC=N1 Z18537666 [0,0,0,0,0,2|1,0,1]=4 541 B16R2.179941 N=C(N)NCC1=C2C=CC=CC2=CC=C1 Z2235386909 [0,0,0,0,0,2|2,0,0]=4 542 B16R2.179941 N=C(N)SCC1=C2C=CC=CC2=CC=C1 Z48820058 [0,0,0,0,0,2|2,0,0]=4 543 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=CC=C1 Z104644698 [0,0,0,0,0,2|1,0,0]=3 544 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 Z127860128 [0,0,0,0,0,2|0,0,1]=3 545 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 Z19769010 [0,0,0,0,0,2|1,0,0]=3 546 B16R2.179941 NC(=O)COC1=C2N=CC=CC2=CC=C1 Z19645843 [0,0,0,0,0,2|2,0,0]=4 547 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=NC=N1 Z19316000 [0,0,0,0,0,2|0,0,1]=3 548 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [0,0,0,0,0,2|2,0,0]=4 549 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [0,0,0,0,0,2|1,0,1]=4 550 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [0,0,0,0,0,2|1,0,1]=4 551 B16R2.179941 O=C(O)CNC1=C2C=CC=CC2=NC=N1 Z57000603 [0,0,0,0,0,2|1,0,1]=4 552 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=CC=C1 Z56900768 [0,0,0,0,0,2|2,0,0]=4 553 B16R2.179941 O=C(O)COC1=C2C=CC=CC2=NC=N1 Z111781332 [0,0,0,0,0,2|1,0,1]=4 554 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=N1 Z276158602 [0,0,0,0,0,2|2,0,0]=4 555 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=NC=N1 Z56754267 [0,0,0,0,0,2|1,0,1]=4