0 B15R2.9032 CC1=C(C(=O)C2=C(C1=O)C=CC=C2)O Z1198147653 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.9032 CN1C(=O)N(C(=O)C2=C1N=CC=C2)O Z4483434762 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.7724 CC1C(=O)NC(=O)C2=C1C=CC=C2 Z1255439370 [1,0,0,0,0,0|2,0,1]=4 3 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 Z336080132 [1,0,0,0,0,0|0,0,2]=3 4 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 Z104485728 [1,0,0,0,0,0|1,0,1]=3 5 B14R2.7724 NC1=C2C=CC=CC2=C(C(=C1)Cl)O Z1262666984 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O Z104479394 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.8188 CC1=C(C(=C2C=CC=CC2=N1)O)Br Z2239077884 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.8188 CC1=C(C(=O)C2=C(N1)C=CC=C2)C Z727720104 [1,0,0,0,0,0|2,0,1]=4 9 B14R2.8188 CC1=C(C(=O)C2=C(N1)C=CC=C2)O Z1255448123 [1,0,0,0,0,0|1,0,1]=3 10 B14R2.8188 CC1=C2C=CC=CC2=NC(=C1Br)O Z1203159746 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C Z207209754 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.8188 CN1C(=O)C(CC2=C1C=CC=C2)N Z2507870671 [1,0,0,0,0,0|1,0,2]=4 13 B14R2.8188 CN1C(=O)NC2=C(C1=O)C=CC=C2 Z164707292 [1,0,0,0,0,0|2,0,1]=4 14 B14R2.8188 NN1C(=O)NC2=C(C1=O)C=CC=C2 Z56928654 [1,0,0,0,0,0|2,0,1]=4 15 B14R2.8188 O=C1NC2=C(C=CC=C2)C(=O)N1O Z1509143415 [1,0,0,0,0,0|1,0,1]=3 16 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O Z1269236923 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=O)N1O Z1528723634 [1,0,0,0,0,0|2,0,1]=4 18 B16R2.133343 CN1C(=O)C2=C(C=C(C=C2)N)N(C1=O)C Z1509418434 [0,1,0,0,0,0|2,0,1]=4 19 B16R2.103824 CC1NC(=O)C2=C(C=CC=C2)N(C1=O)C Z1203159846 [0,0,0,0,0,1|1,0,2]=4 20 B13R1.89 COC1=C(C=CC=C1)C(=O)C(=O)O Z1255489035 [1,0,1,0,0,0|1,0,1]=4 21 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)O Z1255419170 [2,0,0,0,0,0|2,0,0]=4 22 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)O Z1198219340 [2,0,0,0,0,0|1,0,1]=4 23 B13R2.32 CC1=C2C=CC=CC2=CC=C1Br Z1269169594 [2,0,0,0,0,0|2,0,0]=4 24 B13R2.32 CC1=CNC2=C(C1=N)C=CC=C2 Z1601555079 [2,0,0,0,0,0|2,0,0]=4 25 B13R2.32 CN1C(=O)C=NC2=C1C=CC=C2 Z54067791 [2,0,0,0,0,0|1,0,0]=3 26 B13R2.32 CN1C(=O)CNC2=C1C=CC=C2 Z1021459514 [2,0,0,0,0,0|1,0,1]=4 27 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 Z56761461 [2,0,0,0,0,0|0,1,0]=3 28 B13R2.32 C[N+]1=C2C=CC=CC2=CC=C1I Z56796163 [2,0,0,0,0,0|1,0,1]=4 29 B13R2.32 N=C1C(=CNC2=C1C=CC=C2)N Z2216711534 [2,0,0,0,0,0|2,0,0]=4 30 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)O Z2689265962 [2,0,0,0,0,0|2,0,0]=4 31 B13R2.32 O=C1C=CC2=C(C1=O)C=CC=C2 Z324553598 [2,0,0,0,0,0|2,0,0]=4 32 B13R2.32 OC1=C(C2=C(C=C1)N=CC=C2)O Z3490235350 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.32 OC1=C(C2=C(C=CC=C2)C=C1)Br Z56913130 [2,0,0,0,0,0|2,0,0]=4 34 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br Z1269199494 [2,0,0,0,0,0|2,0,0]=4 35 B13R2.32 OC1=C2C=CC=CC2=CC=C1Cl Z1255445829 [2,0,0,0,0,0|2,0,0]=4 36 B13R2.32 OC1=C2C=CC=CC2=CC=C1F Z1198170673 [2,0,0,0,0,0|2,0,0]=4 37 B13R2.32 OC1=C2C=CC=CC2=NC=C1Br Z1269167050 [2,0,0,0,0,0|1,0,1]=4 38 B13R2.328 CC1=CC(=O)C2=C(N1)C=CC=C2 Z445211720 [2,0,0,0,0,0|1,0,1]=4 39 B13R2.328 CC1=CC(=O)NC2=C1C=CC=C2 Z56893183 [2,0,0,0,0,0|1,0,0]=3 40 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 Z1198165933 [2,0,0,0,0,0|1,0,0]=3 41 B13R2.328 NC1=CC(=O)NC2=C1C=CN=C2 Z4494016044 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.328 NC1=CC(=O)NC2=C1C=NC=C2 Z4648115439 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.328 NC1=CC2=C(C=CC=C2)C(=C1)O Z2680629853 [2,0,0,0,0,0|2,0,0]=4 44 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O Z1201618273 [2,0,0,0,0,0|1,0,1]=4 45 B13R2.328 O=C1C=C(C2=C(N1)C=CC=C2)Cl Z3227104016 [2,0,0,0,0,0|1,0,0]=3 46 B13R2.328 O=C1C=C(C2=C(N1)C=CC=C2)O Z56781882 [2,0,0,0,0,0|0,0,0]=2 47 B13R2.328 O=C1C=C(C2=C(N1)C=CN=C2)Cl Z4622536455 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.328 O=C1C=C(C2=C(N1)C=CN=C2)O Z1216861974 [2,0,0,0,0,0|1,0,0]=3 49 B13R2.328 O=C1C=C(C2=C(N1)N=CC=C2)Cl Z1509169150 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.328 O=C1C=C(C2=C(N1)N=CC=C2)O Z1198156321 [2,0,0,0,0,0|1,0,0]=3 51 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)Cl Z1198153642 [2,0,0,0,0,0|2,0,0]=4 52 B13R2.328 O=C1C=C(C2=C(O1)C=CC=C2)O Z56922074 [2,0,0,0,0,0|1,0,0]=3 53 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=C2 Z57177786 [2,0,0,0,0,0|1,0,1]=4 54 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 Z104472968 [2,0,0,0,0,0|1,0,1]=4 55 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [2,0,0,0,0,0|1,0,0]=3 56 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 Z1198151716 [2,0,0,0,0,0|0,0,1]=3 57 B13R2.371 CN1N=CC(=O)C2=C1C=CC=C2 Z360149094 [2,0,0,0,0,0|1,0,1]=4 58 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)O Z104442670 [2,0,0,0,0,0|2,0,0]=4 59 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Br Z57204184 [2,0,0,0,0,0|2,0,0]=4 60 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl Z104477546 [2,0,0,0,0,0|2,0,0]=4 61 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)F Z1198279754 [2,0,0,0,0,0|2,0,0]=4 62 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [2,0,0,0,0,0|2,0,0]=4 63 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)S Z1251357608 [2,0,0,0,0,0|2,0,0]=4 64 B13R2.369 CC1=C(C=C2C=CC=CC2=N1)O Z1198159959 [2,0,0,0,0,0|1,0,1]=4 65 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O Z1198181962 [2,0,0,0,0,0|1,0,0]=3 66 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br Z3038092306 [2,0,0,0,0,0|1,0,0]=3 67 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1F Z1216824451 [2,0,0,0,0,0|1,0,0]=3 68 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O Z199538190 [2,0,0,0,0,0|1,0,1]=4 69 B13R2.369 O=C1NC2=C(C=CC=C2)OC1O Z984801448 [2,0,0,0,0,0|1,0,1]=4 70 B15R1.1343 CCC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z224209256 [0,1,1,0,0,0|1,0,1]=4 71 B15R1.1343 COC(=O)N(C)C1=C(C=CC=C1)C(=O)O Z319610286 [0,1,1,0,0,0|2,0,0]=4 72 B15R2.13861 CN1C2=C(C=CC=C2)C(=CS1(=O)=O)N Z3305009850 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.21211 CN1C(=O)C=C(C2=C1C=CC=C2)C#N Z445749338 [1,1,0,0,0,0|1,0,0]=3 74 B15R2.63814 CC1=CC(=O)N(C2=C1C=C(C=C2)N)C Z1255366035 [1,1,0,0,0,0|1,0,0]=3 75 B15R2.63814 CC1=CC2=C(C=C1)N(C(=O)OC2=O)C Z111834192 [1,1,0,0,0,0|1,0,1]=4 76 B15R2.63814 CN1C(=O)OC(=O)C2=C1C=CC(=C2)Br Z111834188 [1,1,0,0,0,0|1,0,1]=4 77 B15R2.274 CC1=C(C(=O)NC2=C1C=CC=C2)C#N Z1201620664 [1,1,0,0,0,0|2,0,0]=4 78 B15R2.274 O=CC1=C(C2=C(C=CC=C2)NC1=O)Cl Z1269209100 [1,1,0,0,0,0|1,0,1]=4 79 B15R2.1007 CC1=C(C2=C(C=CC(=C2)Cl)OC1=O)O Z235346965 [1,1,0,0,0,0|2,0,0]=4 80 B15R2.1007 CC1=CC2=C(C=C1)OC(=O)C(=C2O)C Z1198163903 [1,1,0,0,0,0|2,0,0]=4 81 B15R2.6237 CCN1C(=O)C(=NC2=C1C=CC=C2)O Z1201627647 [1,1,0,0,0,0|1,0,0]=3 82 B15R2.21243 CN1C(=O)C(=CC2=C1C=CC=C2)C=O Z238880906 [1,1,0,0,0,0|0,0,1]=3 83 B15R2.21243 CN1C(=O)C(=CC2=C1C=CC=C2)CN Z2213893388 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.21243 CN1C(=O)C(=CC2=C1C=CC=C2)CO Z1198169737 [1,1,0,0,0,0|0,0,0]=2 85 B15R2.63893 CC1=CC2=C(C=CC(=C2)N)N(C1=O)C Z1813086401 [1,1,0,0,0,0|1,0,0]=3 86 B17R2.155690 CN1C(=O)C(=C(C2=C1C=CC=C2)N)[N+](=O)[O-] Z56782706 [0,2,0,0,0,0|1,0,1]=4 87 B17R2.155690 CN1C(=O)C(=C(C2=C1C=CC=C2)O)[N+](=O)[O-] Z57044179 [0,2,0,0,0,0|0,0,1]=3 88 B17R2.155725 CC1=C(C2=C(C=CC=C2)N(C1=O)C)C(=O)O Z1509040619 [0,2,0,0,0,0|1,0,0]=3 89 B15R2.1592 CC1=C(OC2=C1C=CC=C2)C(=O)NN Z56912093 [0,0,1,1,0,0|2,0,0]=4 90 B15R2.1592 CNC(=O)C1=C(C2=C(S1)C=CC=C2)C Z166967004 [0,0,1,1,0,0|1,1,0]=4 91 B15R2.1592 CNC(=O)C1=C(C2=C(S1)C=CC=C2)Cl Z30272386 [0,0,1,1,0,0|1,1,0]=4 92 B15R2.1592 COC(=O)C1=C(C2=C(O1)C=CC=C2)C Z16243261 [0,0,1,1,0,0|2,0,0]=4 93 B15R2.1592 COC(=O)C1=C(C2=C(O1)C=CC=N2)O Z2181969075 [0,0,1,1,0,0|2,0,0]=4 94 B15R2.1592 COC(=O)C1=C(C2=C(S1)C=CC=C2)O Z1269129693 [0,0,1,1,0,0|1,1,0]=4 95 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 Z56869450 [1,0,0,0,1,0|0,0,1]=3 96 B13R2.3085 CN1C(=O)N(C2=C1C=CC=C2)C Z57815696 [1,0,0,0,1,0|2,0,0]=4