0 B14R1.623 CCNC(=O)C1=C([N+](=O)[O-])C=CC=C1 SBB000327 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] SBB058472 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.464 CCOC(=O)C1=C(OC)C=CC=C1 SBB064138 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.547 CCC(=O)C1=C(C(=O)O)C=CC=C1 SBB008184 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 SBB007828 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.547 COC(=O)C1=CC=CC=C1B(O)O SBB063239 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O SBB053821 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.572 CCCOC1=CC=CC=C1C(=O)O SBB063731 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.572 CCCSC1=C(C(=O)O)C=CC=C1 SBB049912 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.572 CCCSC1=C(C(=O)O)C=CC=N1 SBB028525 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.811 CCOC(=O)C1=C(C(F)(F)F)C=CC=C1 SBB095538 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.5509 CC(=O)C1=CC=CN=C1C(=O)OC(C)C SBB053853 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.10569 CCOC(=O)C1=CC=C(F)C=C1B(O)O SBB094568 [0,1,0,0,0,0|1,0,1]=3 13 B15R2.19973 COC1=CC(=O)C2=C(C=CC=C2)C1=O SBB069569 [0,0,0,1,0,0|3,0,0]=4 14 B13R1.467 CCOC(=O)C1=C(C(=O)O)NC=N1 SBB027880 [0,0,0,0,1,0|2,0,0]=3 15 B15R1.1274 CC(=O)C1=CC=CC=C1NC(=O)CCCl SBB047056 [0,0,0,0,0,1|3,0,0]=4 16 B15R1.1274 CCOC(=O)CC1=C([N+](=O)[O-])C=CC=C1 SBB094174 [0,0,0,0,0,1|1,0,1]=3 17 B15R1.1274 CCOC(=O)CC1=NC=CC=C1C(=O)O SBB052989 [0,0,0,0,0,1|1,0,0]=2 18 B15R1.1274 CCOC(=O)NC1=CC=CC=C1C(=O)O SBB043359 [0,0,0,0,0,1|0,0,0]=1 19 B15R1.1274 CCOC(=O)NC1=CC=CN=C1[N+](=O)[O-] SBB079234 [0,0,0,0,0,1|2,0,1]=4 20 B15R1.1274 O=C(CCCl)NC1=C(C(=O)O)C=CC=C1 SBB108374 [0,0,0,0,0,1|2,0,0]=3 21 B12R1.77 CCC(=O)C1=CC=CC=C1OC SBB019455 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.77 CNC1=CC=CC=C1C(=O)OC SBB058534 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 SBB064193 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.77 COC(=O)C1=C(CN)C=CC=C1 SBB092824 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.77 COC(=O)C1=CC=CC=C1C#N SBB053726 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.77 COC(=O)C1=CC=CC=C1OC SBB061390 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.121 CCCOC1=CC=CC=C1C=O SBB001592 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCNC(=O)C1=CC=CC=C1N SBB079897 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 SBB064139 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 SBB065272 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.308 CCOC(=O)C1=CC=CC=C1Br SBB065109 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.308 CCOC(=O)C1=CC=CC=C1C SBB064989 [2,0,0,0,0,0|0,0,1]=3 33 B12R1.308 CCOC(=O)C1=CC=CC=C1F SBB064678 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.308 CCOC(=O)C1=CC=CC=C1N SBB064986 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=CC=CC=C1O SBB058594 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.308 CCOC(=O)C1=CC=CN=C1C SBB053824 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.308 CCOC(=O)C1=CC=NC=C1N SBB053810 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl SBB053818 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 SBB000148 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.261 CC(=O)C1=C(C(C)=O)C=CC=C1 SBB008490 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O SBB038601 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O SBB052751 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)O SBB072166 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.261 NC(=O)C1=CC=CC=C1C(N)=O SBB007536 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.261 NC(=O)C1=NC=CC=C1C(=O)O SBB087972 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.261 O=C(Cl)C1=CC=CC=C1C(=O)Cl SBB060270 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 SBB048070 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 SBB058481 [2,0,0,0,0,0|0,0,0]=2 49 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] SBB058380 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O SBB040573 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.261 O=C(O)C1=CC=NC=C1C(=O)O SBB028479 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O SBB028481 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.283 CCOC1=CC=CC=C1B(O)O SBB048064 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.283 CCOC1=CC=CC=C1C(=O)O SBB063520 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.283 CCOC1=CC=CC=C1C(C)=O SBB042629 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.283 CCOC1=CC=CC=C1[N+](=O)[O-] SBB061021 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.283 CCOC1=NC=CC=C1C(=O)O SBB005439 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 SBB049901 [2,0,0,0,0,0|0,1,0]=3 59 B12R1.283 CCSC1=NC=CC=C1C(=O)O SBB028504 [2,0,0,0,0,0|1,1,0]=4 60 B14R1.263 CCOC(=O)C1=C(N=C=O)C=CC=C1 SBB048848 [1,1,0,0,0,0|0,0,1]=3 61 B14R1.317 CCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 SBB011291 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.429 OC(=O)C(=O)C1=CC=CC=C1C(=O)O SBB003608 [1,1,0,0,0,0|1,0,1]=4 63 B14R1.707 COC(=O)C1=C(B(O)O)C=CC(F)=C1 SBB092231 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.707 COC(=O)C1=CC(Cl)=CC=C1[N+](=O)[O-] SBB064180 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.745 COC(=O)C1=CC=CC=C1S(=O)(=O)Cl SBB064247 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.745 COC(=O)C1=CC=CC=C1S(N)(=O)=O SBB048292 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.746 COC(=O)C1=C(C(=O)OC)C=CC=C1 SBB060335 [1,1,0,0,0,0|0,0,0]=2 68 B14R1.746 COC(=O)C1=C(C(=O)OC)CC=CC1 SBB008041 [1,1,0,0,0,0|0,0,2]=4 69 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 SBB017850 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.1126 COC(=O)C1=CC=C(F)C=C1B(O)O SBB092228 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.67 CCCOC1=CC=C(Br)C=C1C(=O)O SBB049660 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.67 CCCOC1=CC=C(Cl)C=C1C(=O)O SBB049737 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.903 CCCCSC1=C(C(=O)O)C=CC=C1 SBB049913 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.903 COCCSC1=C(C(=O)O)C=CC=C1 SBB049902 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.615 CCOC(=O)C1=CN(C)N=C1C(=O)O SBB024798 [0,1,0,0,1,0|2,0,0]=4 76 B14R1.615 CCOC(=O)C1=NN(C)C=C1C(=O)O SBB026821 [0,1,0,0,1,0|2,0,0]=4 77 B14R1.7224 CCOC(=O)C1=C(C(=O)O)N(C)N=C1 SBB024859 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.7271 CCOC(=O)C1=C(C(=O)O)C=NN1C SBB027054 [0,1,0,0,1,0|2,0,0]=4 79 B16R1.960 CCOC(=O)C1=C(NC(=O)CCl)C=CC=C1 SBB017390 [0,1,0,0,0,1|1,0,0]=3 80 B16R1.1556 CCCC(=O)NC1=C(C(=O)OC)C=CC=C1 SBB062121 [0,1,0,0,0,1|1,0,0]=3 81 B16R1.1556 CCOC(=O)CC1=CC=CC=C1C(=O)OC SBB006248 [0,1,0,0,0,1|0,0,0]=2 82 B16R1.1556 CCOC(=O)NC1=C(C(=O)OC)C=CC=C1 SBB071539 [0,1,0,0,0,1|0,0,0]=2 83 B16R1.12463 CC(=O)CC(=O)NC1=CC=CC=C1C(=O)O SBB064940 [0,1,0,0,0,1|1,0,1]=4 84 B16R1.14964 CCOC(=O)C1=C(C(=O)OCC)C=CC=C1 SBB060561 [0,2,0,0,0,0|0,0,0]=2 85 B16R1.14964 CCOC(=O)C1=C(C(=O)OCC)C=NC=C1 SBB006482 [0,2,0,0,0,0|1,0,0]=3 86 B16R1.12475 CC(C)(C)OC(=O)C1=C(C(=O)O)C=CC=C1 SBB007635 [0,2,0,0,0,0|0,0,0]=2 87 B14R1.468 CCOC1=CC=CC(\C=C\C(=O)O)=C1 SBB048281 [0,0,1,1,0,0|1,0,0]=3 88 B14R2.215 CCN1C(=O)C2=C(C=CC=C2)C1=O SBB089032 [1,0,0,1,0,0|1,0,0]=3 89 B14R2.215 O=C1C2=C(C=CC=C2)C(=O)N1CCl SBB000346 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.215 O=C1C2=CC=CC=C2C(=O)N1CO SBB041136 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058029 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 SBB058064 [1,0,0,1,0,0|2,0,0]=4 93 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O SBB012369 [1,0,0,1,0,0|1,0,1]=4 94 B14R2.7724 CC1CC(=O)C2=C(C=CC=C2)C1=O SBB058530 [1,0,0,1,0,0|1,0,0]=3 95 B14R2.1131 COC1=C2C=CC=CC2=C(O)C=C1 SBB061646 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.31359 O=C(O)C1=C2NCCCC2=CC=C1 SBB019167 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.31359 O=C(O)C1=CC=CC2=C1CCCC2 SBB053486 [1,0,0,1,0,0|1,0,1]=4 98 B14R2.8053 O=C(O)C1=COC2=C1C(=O)CCC2 SBB038079 [0,0,0,1,1,0|2,0,0]=4 99 B16R2.3033 O=C(O)C1=C(N2CCCC2=O)C=CC=C1 SBB018602 [0,0,0,1,0,1|1,0,0]=3 100 B12R1.316 CCOC(=O)C1=NNC=C1C=O SBB048575 [1,0,0,0,1,0|2,0,0]=4 101 B14R1.744 COC(=O)C1=C(OC(C)=O)C=CC=C1 SBB007836 [1,0,0,0,0,1|1,0,0]=3 102 B14R1.744 COC(=O)C1=CC=CC=C1NC(C)=O SBB080612 [1,0,0,0,0,1|1,0,0]=3 103 B14R1.617 CCOC(=O)C1=CC=CC(B(O)O)=C1 SBB052545 [0,0,0,0,1,1|1,0,1]=4 104 B16R1.4440 CCOC(=O)COC1=C(C(=O)O)C=CC=C1 SBB035950 [0,0,0,0,0,2|0,0,0]=2