0 B14R1.903 C=CCCNC1=C(C=CC=C1)C(=O)C Z1252476440 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.903 CCCCNC1=C(C=CC=C1)C(=O)O Z56870802 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.903 NCCCNC1=C(C=CC=C1)[N+](=O)[O-] Z275465490 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.84 CCCCOC1=C(C=CC=C1)C=O Z57887827 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.84 COC1=C(C=CC=C1)NCCCO Z104593706 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.84 COC1=C(C=CC=C1)OCCCN Z271006104 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.572 C#CCOC1=C(C=CC=C1)[N+](=O)[O-] Z51179615 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.572 CCCNC1=C(C=CC=C1)C(=O)O Z111833842 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.572 CCNCC1=C(C=CC=C1)[N+](=O)[O-] Z380844472 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.572 CNCCC1=C(C=CC=C1)[N+](=O)[O-] Z2044770043 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.572 NCCNC1=C(C=CC=C1)[N+](=O)[O-] Z57931291 [1,0,0,0,0,0|0,0,0]=1 11 B13R1.572 NCCSC1=C(C=CC=C1)C(=O)O Z1269152864 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.572 O=C(O)C1=C(C=CC=C1)NCCO Z56845199 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)/C=C/CO Z1198223850 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)NCCO Z31212148 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)OCCBr Z285922212 [1,0,0,0,0,0|2,0,0]=3 16 B15R1.241 CCCCCNC1=C(C=CC=C1)C(=O)O Z111833888 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.241 COCCSCC1=C(C=CC=C1)[N+](=O)[O-] Z1137696111 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.559 CC1=CC(=C(C=C1)NCCCN)[N+](=O)[O-] Z1250132308 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.559 COCCOC1=C(C=C(C=C1)F)[N+](=O)[O-] Z1029532926 [0,1,0,0,0,0|3,0,0]=4 20 B15R1.559 NCCCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-] Z57394690 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.1108 CC(CO)CSC1=C(C=CC=C1)[N+](=O)[O-] Z1270085563 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.1108 CC(CO)SCC1=C(C=CC=C1)[N+](=O)[O-] Z1273056430 [0,1,0,0,0,0|3,0,0]=4 23 B15R1.1108 CNC(=O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z52584285 [0,1,0,0,0,0|2,0,1]=4 24 B15R1.1108 O=[N+]([O-])C1=C(C=CC=C1)SCC(O)CO Z1340655250 [0,1,0,0,0,0|2,0,0]=3 25 B15R1.1191 CCCCNC1=C(C=CC=C1)C(=O)OC Z54131031 [0,1,0,0,0,0|2,0,1]=4 26 B15R1.1239 CCCNC(=O)C1=C(C=CC=C1)[N+](=O)[O-] Z68365081 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.1274 CCCC(C)OC1=C(N=CC=C1)[N+](=O)[O-] Z1335689194 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.1274 CCOC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z56811506 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.1274 COCC(C)NC1=C(C=CC=C1)[N+](=O)[O-] Z31258404 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.1274 N#CCC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z57676377 [0,1,0,0,0,0|0,0,3]=4 31 B15R1.1274 O=C(CCCl)NC1=C(C=CC=C1)[N+](=O)[O-] Z240092568 [0,1,0,0,0,0|1,0,1]=3 32 B15R1.3990 COCCNC1=C(C=NC=C1I)[N+](=O)[O-] Z2364725874 [0,1,0,0,0,0|3,0,0]=4 33 B15R1.4455 CCCCNC1=C(C(=CC=C1)C)C(=O)N Z1343373581 [0,1,0,0,0,0|3,0,0]=4 34 B15R1.4455 CCCCNC1=C(C(=NC=N1)N)[N+](=O)[O-] Z56767799 [0,1,0,0,0,0|3,0,0]=4 35 B15R1.8882 O=C(O)CCNC1=C(C=CC=C1)[N+](=O)[O-] Z64665540 [0,1,0,0,0,0|1,0,1]=3 36 B15R1.8882 O=C(O)CCOC1=C(C=CC=C1)[N+](=O)[O-] Z224635790 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.1221 O=C(O)C1=C(C=CC=C1)N2CCCC2 Z335440996 [0,0,0,1,0,0|2,0,1]=4 38 B15R2.1428 NCCCN1N=C(C2=C1C=CC=C2)O Z4510627915 [0,0,0,1,0,0|2,0,1]=4 39 B15R2.13611 NC1CCCC2=C1C=CC=C2C(=O)O Z4523518532 [0,0,0,1,0,0|2,0,1]=4 40 B15R2.16319 O=[N+]([O-])C1=C(C=CC=C1)CNC2CC2 Z90517841 [0,0,0,1,0,0|3,0,0]=4 41 B15R2.16319 O=[N+]([O-])C1=C(C=CC=C1)OCC2CO2 Z147642564 [0,0,0,1,0,0|2,0,0]=3 42 B12R1.267 CC1=C(C=CC=C1)OCCCN Z271006092 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.267 NCCCCN1C=CC=CC1=O Z285163694 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.267 NCCCOC1=C(C=CC=C1)F Z126954254 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.283 CCCC1=C(C=CC=C1)C(=O)O Z1255462246 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.283 CCNC1=C(C=CC=C1)[N+](=O)[O-] Z31223930 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.283 CNCC1=C(C=CC=C1)[N+](=O)[O-] Z361993844 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.283 N#CCC1=C(C=CC=C1)[N+](=O)[O-] Z56886385 [2,0,0,0,0,0|0,0,2]=4 50 B12R1.283 NCCC1=C(C=CC=C1)C(=O)O Z1431905053 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.283 NCCC1=C(C=CC=C1)[N+](=O)[O-] Z992743510 [2,0,0,0,0,0|0,0,0]=2 52 B12R1.283 O=CNC1=C(C=CC=C1)[N+](=O)[O-] Z1255360640 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.283 O=[N+]([O-])C1=C(C=CC=C1)CCO Z992259002 [2,0,0,0,0,0|1,0,0]=3 54 B14R1.67 CCCNC1=C(C=C(C=C1)C)C(=O)O Z111833874 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.3302 CC(CO)SC1=C(C=CC=C1)[N+](=O)[O-] Z1272784688 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.3302 CCC(C)NC1=C(C=CC=C1)[N+](=O)[O-] Z31194260 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.3302 NCC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z46280342 [1,1,0,0,0,0|0,0,1]=3 58 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)[N+](=O)[O-] Z56822452 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.4522 CC(C)CNC1=C(C=CC=C1)C(=O)O Z111833848 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.4522 NC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] Z19741885 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.4522 O=C(O)CCC1=C(C=CC=C1)[N+](=O)[O-] Z426022322 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.4522 O=C(O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z57226712 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.7480 O=[N+]([O-])C1=C(C(=CN=C1)Br)NCCO Z1554538079 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.834 O=[N+]([O-])C1=C(SC=C1)NCC(O)CO Z1592991737 [0,1,0,0,1,0|2,0,0]=4 65 B16R1.1225 CCOCCOC1=C(C=C(C=C1)F)[N+](=O)[O-] Z1029528774 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.1730 CSCCCN(C)C1=C(C=CC=N1)[N+](=O)[O-] Z1983773803 [0,2,0,0,0,0|2,0,0]=4 67 B16R1.3262 O=[N+]([O-])C1=C(C=CC=C1)CSCC(O)CO Z1340655887 [0,2,0,0,0,0|2,0,0]=4 68 B16R1.3900 NCCOCCOC1=C(C=CC=C1)[N+](=O)[O-] Z3847414425 [0,2,0,0,0,0|1,0,0]=3 69 B16R1.4440 CCCC(O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z1185871481 [0,2,0,0,0,0|1,0,0]=3 70 B16R1.4440 COCC(O)CNC1=C(C=CC=C1)[N+](=O)[O-] Z1219743039 [0,2,0,0,0,0|1,0,0]=3 71 B16R1.4493 COCCC(C)NC1=C(C=CC=C1)[N+](=O)[O-] Z879063258 [0,2,0,0,0,0|1,0,0]=3 72 B16R1.12322 O=C(O)CCCNC1=C(C=CC=C1)[N+](=O)[O-] Z64571538 [0,2,0,0,0,0|1,0,0]=3 73 B16R1.13275 COCCCOC1=C(C(=CC=C1)C)[N+](=O)[O-] Z1674931293 [0,2,0,0,0,0|2,0,0]=4 74 B16R1.1138 O=[N+]([O-])C1=C(C=CC(=C1)F)SCC(O)CO Z1340655272 [0,2,0,0,0,0|2,0,0]=4 75 B16R1.1138 O=[N+]([O-])C1=C(C=CC(=C1)I)NCC(O)CO Z1270415978 [0,2,0,0,0,0|1,0,0]=3 76 B16R1.11454 NC(=O)CCSC1=C(C=C(C=C1)Br)[N+](=O)[O-] Z1415975992 [0,2,0,0,0,0|1,0,1]=4 77 B16R1.13013 N#CC1=CC(=C(C=C1)NCCCO)[N+](=O)[O-] Z64570023 [0,2,0,0,0,0|1,0,0]=3 78 B16R1.1302 O=[N+]([O-])C1=C(C=C(C=C1)Br)NCC(O)CO Z1270415876 [0,2,0,0,0,0|1,0,0]=3 79 B16R1.10380 CCC(C)(O)CNC1=C(C=CC=N1)[N+](=O)[O-] Z994861550 [0,2,0,0,0,0|2,0,0]=4 80 B16R1.18406 O=[N+]([O-])C1=C(C(=CN=C1)Br)NCC(O)CO Z1765130352 [0,2,0,0,0,0|2,0,0]=4 81 B16R1.6775 NCCNS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] Z1269638557 [0,2,0,0,0,0|2,0,0]=4 82 B14R2.3 NCCCN1C=CC2=C1C=CC=C2 Z57032590 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.3 NCCCN1C=NC2=C1C=CC=C2 Z850542590 [1,0,0,1,0,0|1,0,1]=4 84 B14R2.3 NCCCN1CCC2=C1C=CC=C2 Z271005912 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.98 O=CC1=C(C=CC=C1)N2CCCC2 Z56968507 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.4 O=C1CCC2=C(C=CC=C12)[N+](=O)[O-] Z1198169298 [1,0,0,1,0,0|1,0,1]=4 87 B14R2.9513 O=[N+]([O-])C1=C(C=CC=C1)NC2CC2 Z31232842 [1,0,0,1,0,0|0,0,0]=2 88 B14R2.9532 O=[N+]([O-])C1=C(C=CC=C1)C2CNC2 Z5260671548 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.9532 O=[N+]([O-])C1=C(N=CC=C1)N2CCC2 Z238675696 [1,0,0,1,0,0|1,0,0]=3 90 B14R2.31359 NC(=O)C1=C2CCCNC2=CC=C1 Z316121972 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.31359 O=C(O)C1=C2CCCNC2=CC=C1 Z221528972 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.31359 O=[N+]([O-])C1=C2CCCNC2=CC=C1 Z1171251566 [1,0,0,1,0,0|0,0,0]=2 93 B14R2.31359 O=[N+]([O-])C1=C2CCNCC2=CC=C1 Z2941400849 [1,0,0,1,0,0|2,0,0]=4 94 B16R2.87 O=[N+]([O-])C1=C(C=CC=C1)N2CCCCC2 Z31192680 [0,1,0,1,0,0|1,0,0]=3 95 B16R2.87 O=[N+]([O-])C1=C(N=CC=C1)N2CCNCC2 Z239096286 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.87 O=[N+]([O-])C1=C(N=CC=C1)N2CCSCC2 Z645737582 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.498 O=[N+]([O-])C1=C(C=CC=C1)OC2CCNC2 Z3234809918 [0,1,0,1,0,0|1,0,0]=3 98 B16R2.3033 O=C1CCCN1C2=C(C=CC=C2)[N+](=O)[O-] Z55148973 [0,1,0,1,0,0|1,0,0]=3 99 B16R2.3033 O=C1NCCN1C2=C(C=CC=C2)[N+](=O)[O-] Z1494791830 [0,1,0,1,0,0|1,0,1]=4 100 B16R2.3033 O=C1OCCN1C2=C(C=CC=C2)[N+](=O)[O-] Z276856284 [0,1,0,1,0,0|1,0,1]=4 101 B16R2.25249 O=C1NCCNC2=C(C=CC=C12)[N+](=O)[O-] Z3225946342 [0,1,0,1,0,0|1,0,1]=4 102 B16R2.27531 O=[N+]([O-])C1=C(C=CC=C1)CNC2CCC2 Z905159716 [0,1,0,1,0,0|1,0,0]=3 103 B16R2.321 O=[N+]([O-])C1=C(N=CC(=C1)Br)N2CCCO2 Z1645965164 [0,1,0,1,0,0|2,0,0]=4 104 B16R2.2838 CC1CCN(C1)C2=C(C=CC=N2)[N+](=O)[O-] Z1002295218 [0,1,0,1,0,0|2,0,0]=4 105 B16R2.2838 O=[N+]([O-])C1=C(C=CC=C1)N2CC[C@@H](C2)O Z1127124419 [0,1,0,1,0,0|1,0,0]=3 106 B16R2.2838 O=[N+]([O-])C1=C(C=CC=C1)N2CC[C@H](C2)O Z1127124558 [0,1,0,1,0,0|1,0,0]=3 107 B16R2.2838 O=[N+]([O-])C1=C(N=CC=C1)N2CC[C@@H](C2)O Z1127124317 [0,1,0,1,0,0|2,0,0]=4 108 B16R2.2838 O=[N+]([O-])C1=C(N=CC=C1)N2CC[C@H](C2)O Z1127124456 [0,1,0,1,0,0|2,0,0]=4 109 B16R2.145832 CN(C1=C(C=CC=N1)[N+](=O)[O-])C2CCC2 Z1270085108 [0,1,0,1,0,0|2,0,0]=4