0 B13R1.3801 CC(C)C1=C(C(=CC=C1)C(=O)O)F Z1947296509 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.3801 CC(C)C1=C(C(=CC=C1)C(=O)O)N Z362758756 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.3801 CC(C)C1=CC=CC(=C1N)C(C)C Z104473708 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.3801 CC(C)C1=CC=CC(=C1O)C(C)C Z752915492 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.258 CC(C)C1=CC(=CC=C1)B(O)O Z381540918 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.258 CC(C)C1=CC(=CC=C1)C(=O)O Z1171158000 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.258 CC(N)C1=CC(=CC=C1)C(F)F Z3613327005 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.440 CC(C)C1=C(C(=CC=C1)C=O)O Z1198305571 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.440 CCC1=C(C(=CC=C1)C(=O)O)O Z367679250 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.440 COC1=C(C(=CC=C1)C(=O)C)O Z1255428654 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.112 CN(C)C1=CC=CC(=C1C=O)N(C)C Z2511824701 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.736 COC(=O)C1=C(C(=CC=C1)C(C)C)N Z594218740 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.4 CC1COC2=C(C=CC=C12)C(=O)O Z1262515212 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.266 CC(C)C1=CC(=CC=C1)C=O Z1162448800 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.266 CC(C)C1=CC(=NC=C1)CN Z4968190433 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.266 CC(C)C1=NC(=CC=C1)CO Z1216820960 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.266 CC(C)C1=NC=CC(=C1)CN Z3396976035 [2,0,0,0,0,0|2,0,0]=4 17 B11R1.266 CNC1=CC(=CC=C1)C(C)C Z362639302 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.266 CNC1=CC(=CC=C1)N(C)C Z2517097616 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.266 COC1=CC(=CC=C1)C(C)O Z228586154 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.266 COC1=CC(=CC=C1)[C@@H](C)O Z360055364 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.266 COC1=CC(=CC=C1)[C@H](C)O Z360055368 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.159 CC(C)C1=C(C(=CC=C1)F)N Z4997400271 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.159 CC1=C(C=CC=C1N)C(C)C Z2740750367 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.159 CC1=CC=CC(=C1C)C(C)N Z992749600 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.159 CC1=CC=CC(=C1N)C(C)C Z3676142304 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.267 CCC1=C(C(=CC=C1)C=O)O Z1255399776 [2,0,0,0,0,0|1,0,1]=4 27 B11R1.267 CCC1=CC=CC(=C1N)CC Z104479240 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.267 COC1=C(C(=CC=C1)CN)O Z1263529631 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.267 COC1=CC=CC(=C1O)OC Z104477654 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.13 CC(C)C1=CC(=C(C=C1)I)C(C)C Z1269157430 [1,1,0,0,0,0|0,0,0]=2 31 B13R1.126 CC(C)C1=NC(=NC(=C1)Cl)C(C)C Z431783984 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.345 CC(N)C1=NC=CC(=C1)C(C)(C)C Z5059661652 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.377 CCCC1=C(C(=CC=C1)C(C)C)O Z1255442829 [1,1,0,0,0,0|0,0,0]=2 34 B13R1.645 CC(C)(C)C1=C(C(=CC=C1)C=O)O Z1255387194 [1,1,0,0,0,0|1,0,1]=4 35 B15R1.3544 CC(=O)C1=C(C(=CC(=C1)Br)C(C)(C)C)O Z2733639837 [0,2,0,0,0,0|1,0,1]=4 36 B15R1.25705 CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C Z104474592 [0,2,0,0,0,0|0,0,0]=2 37 B13R2.429 CC(=O)C1=CC(=CC=C1)C2CC2 Z992239782 [1,0,0,1,0,0|1,0,1]=4 38 B13R2.82 CC1=C(C=CC=C1CN)C2CC2 Z5558578445 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.82 NCC1=C(C(=CC=C1)C2CC2)F Z4438424938 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.573 COC1=C2OCC(C2=CC=C1)N Z3244827605 [1,0,0,1,0,0|2,0,0]=4 41 B15R2.13611 CC(C)C1=C2OCCC(=O)C2=CC=C1 Z384973124 [0,1,0,1,0,0|1,0,1]=4 42 B15R3.55990 NC1=C(C=CC=C1C2CC2)C3CC3 Z5901539195 [0,0,0,2,0,0|1,0,0]=3 43 B13R1.587 CC(=O)C1=CC=CC(=C1)CC(C)C Z1171158405 [1,0,0,0,0,1|1,0,1]=4 44 B13R1.587 CC(=O)NC1=CC=CC(=C1)C(C)C Z28798875 [1,0,0,0,0,1|1,0,1]=4 45 B13R1.587 CC(C)OC1=CC(=CC=C1)C(C)N Z278080508 [1,0,0,0,0,1|1,0,0]=3 46 B13R1.120 CC(C)C1=CC(=C(C=C1)C(C)C)F Z2511813175 [0,0,0,0,1,1|1,0,0]=3 47 B13R1.120 CC(C)C1=CC(=C(C=C1)C(C)C)O Z1255450103 [0,0,0,0,1,1|0,0,0]=2