0 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|0,0,1]=2 4 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.12 C(Cl)=C(CN)\C1=CC=CC=C1 BCP15920 [0,1,0,0,0,0|0,0,2]=3 8 B11R1.12 CCB(C1=CC=CN=C1)CC BCP04285 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.16 C[C](N=C=O)C1=CC=CC=C1 BCP11253 [0,1,0,0,0,0|1,0,2]=4 13 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.22 FC1=CC=C([C](CCl)O)C=C1 BCP12170 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,1,0,0,0,0|2,0,1]=4 26 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|0,0,2]=3 28 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,0]=3 32 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|2,0,1]=4 33 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,0,0,0,0,1|2,0,0]=3 36 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 NCC1=NC=CC=N1 BCP00118 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.2 NCC1=NN=CC=C1 BCP04627 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [1,1,0,0,0,0|0,0,1]=3 43 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|0,0,1]=3 52 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|0,0,0]=2 58 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|0,0,1]=3 59 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,1]=3 65 B12R1.16 OC(CNC)C1=CC=C(O)C=C1 BCP13680 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 BCP19493 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.17 O[C@@H](CNC)C1=CC(O)=CC=C1 BCP23410 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.5 COC1=CC=C([C@@H](O)CCl)C=C1 BCP12169 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.225 OC1=CC=CC([C@@H](C)N(C)C)=C1 BCP11200 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.225 OC1=CC=CC([C@@H](N(C)C)C)=C1 BCP05648 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.225 OC1=CC=CC([C@@H](O)[C@@H](N)C)=C1 BCP11059 [0,2,0,0,0,0|1,0,0]=3 77 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 78 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 79 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 80 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|0,0,2]=4 81 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|2,0,0]=4 82 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.18 N[C@@H]1[C](O)Cc2c1cccc2 BCP01236 [0,0,0,1,0,1|1,0,1]=4 84 B12R2.18 O[C@@H]1[C](N)C2=C(C=CC=C2)C1 BCP01235 [0,0,0,1,0,1|1,0,1]=4 85 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,1,0,1|1,0,0]=3 86 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 BCP05262 [0,0,0,1,0,1|1,0,1]=4 87 B12R2.116 NC1(C2=CC=CC=C2)CCC1 BCP10073 [0,1,0,1,0,0|1,0,0]=3 88 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,1,0,0|0,0,2]=4 89 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|1,0,1]=4 92 B8R1.8 NCCC1=CN=CN1 BCP16313 [1,0,0,0,1,0|2,0,0]=4