0 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 BCP13684 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 [O-][N+](\C=C\C1=CC=CC=C1)=O BCP12490 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [0,1,0,0,0,0|1,0,0]=2 3 B12R1.27 O=C(CCC1=CC=CC=C1)CBr BCP00253 [0,1,0,0,0,0|1,0,2]=4 4 B12R1.27 O=C(OCC1=CC=CC=C1)CO BCP10145 [0,1,0,0,0,0|1,0,1]=3 5 B12R1.43 C\C([N+]([O-])=O)=C\C1=CC=CC=C1 BCP10792 [0,1,0,0,0,0|1,0,1]=3 6 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,1,0,0,0,0|0,0,2]=3 7 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,1,0,0,0,0|0,0,2]=3 8 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,1,0,0,0,0|0,0,2]=3 9 B12R1.107 O=[N+](CC(C1=CC=CC=C1)=O)[O-] BCP06401 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,1,0,0,0,0|0,0,2]=3 12 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,0,0,1,0,0|1,0,2]=4 13 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 BCP08383 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 BCP20124 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 FC1=CC=C2C=NC=CC2=C1 BCP02781 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.24 NC1=NC2=NC=CC=C2C=C1 BCP04700 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,1,0|1,0,1]=3 20 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,1,0|2,0,1]=4 21 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,1,0|1,0,1]=3 23 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,0,0,0,1,0|1,0,1]=3 25 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [0,0,0,0,1,0|2,1,0]=4 26 B10R1.66 O=C(O)CCC1=CSC=C1 BCP20489 [0,0,0,0,1,0|1,0,2]=4 27 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,0,0,0,0,1|0,0,2]=3 28 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.17 BrC1=CC=CC=C1\C=C\C=O BCP04224 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,1,0,0,1,0|1,0,1]=4 32 B11R1.36 C1=C(C(C(O)=O)C)C=CC=C1 BCP16764 [0,1,0,0,1,0|0,0,1]=3 33 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,1,0,0,1,0|0,0,0]=2 34 B11R1.36 C[C](c1ccccc1)C(=O)O BCP14307 [0,1,0,0,1,0|0,0,1]=3 35 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,1,0,0,1,0|1,0,1]=4 36 B13R1.45 O=C(CCC(O)=O)C1=CC=CC=C1 BCP09655 [0,1,0,0,0,1|0,0,1]=3 37 B13R1.351 O=C(O)[C](N)CCC1=CC=CC=C1 BCP11593 [0,1,0,0,0,1|0,0,2]=4 38 B13R1.513 BrC1=CC=C(CCCC(O)=O)C=C1 BCP10703 [0,1,0,0,0,1|0,0,2]=4 39 B13R1.513 CC1=CC=C(CCCC(O)=O)C=C1 BCP10709 [0,1,0,0,0,1|0,0,2]=4 40 B13R1.513 ClC1=CC=C(CCCC(O)=O)C=C1 BCP10717 [0,1,0,0,0,1|0,0,2]=4 41 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 BCP04527 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.14 O=C(OC)\C=C\C1=CC=C(Br)C=C1 BCP20322 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.132 O=C(O)CC(N)C1=CC=C(F)C=C1 BCP11675 [0,2,0,0,0,0|0,0,2]=4 44 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(O)=O BCP14311 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.133 N[C@@H](CC1=CC=C(C)C=C1)C(O)=O BCP11552 [0,2,0,0,0,0|0,0,2]=4 46 B13R1.133 N[C](CC1=CC=C(Br)C=C1)C(O)=O BCP17905 [0,2,0,0,0,0|0,0,2]=4 47 B13R1.133 N[C](CC1=CC=C(N)C=C1)C(O)=O BCP11627 [0,2,0,0,0,0|0,0,2]=4 48 B13R1.133 O=C(O)[C](N)CC1=CC=C(F)C=C1 BCP11609 [0,2,0,0,0,0|0,0,2]=4 49 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 BCP17762 [0,2,0,0,0,0|0,0,0]=2 50 B13R1.133 OC([C@@H](N)CC1=CC=C(O)C=C1)=O BCP06988 [0,2,0,0,0,0|0,0,2]=4 51 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl BCP17337 [0,2,0,0,0,0|0,0,2]=4 52 B13R1.11 O=C(C[C@@H](C1=CC=CC=C1)N)OC BCP13915 [0,2,0,0,0,0|0,0,2]=4 53 B13R1.15 O=C(OC)CCC1=CC=CC(Br)=C1 BCP09559 [0,2,0,0,0,0|0,0,2]=4 54 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(OC)=O BCP12913 [0,2,0,0,0,0|0,0,2]=4 55 B13R1.148 N[C@@H](CC1=CC=CC(C)=C1)C(O)=O BCP11706 [0,2,0,0,0,0|0,0,2]=4 56 B13R1.148 O=C(O)[C](N)CC1=CC=CC(Cl)=C1 BCP11546 [0,2,0,0,0,0|0,0,2]=4 57 B13R1.152 O=C(O)[C](O)[C@@H](N)C1=CC=CC=C1 BCP22941 [0,2,0,0,0,0|0,0,2]=4 58 B13R1.147 N[C](CC(O)=O)C1=CC(C)=CC=C1 BCP11619 [0,2,0,0,0,0|0,0,2]=4 59 B13R1.147 O=C(O)C[C](N)C1=CC=CC(F)=C1 BCP11741 [0,2,0,0,0,0|0,0,2]=4 60 B13R1.201 N[C@@H](CC(O)=O)C1=C(Cl)C=CC=C1 BCP10515 [0,2,0,0,0,0|0,0,2]=4 61 B13R1.201 O=C(O)C[C](N)C1=CC=CC=C1F BCP11584 [0,2,0,0,0,0|0,0,2]=4 62 B13R1.713 O=C(O)CC(CN)C1=CC=CC=C1 BCP10710 [0,2,0,0,0,0|0,0,2]=4 63 B13R1.3787 CC1=C(OCC(O)=O)C(C)=CC=C1 BCP12802 [0,2,0,0,0,0|1,0,1]=4 64 B11R1.53 O=C(O)C1=CC=CC=C1CBr BCP10958 [0,0,1,1,0,0|1,0,1]=4 65 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [0,0,1,1,0,0|1,0,0]=3 66 B11R1.167 BrC=1C=CC(=CC1C(O)=O)F BCP14905 [0,0,1,1,0,0|2,0,0]=4 67 B11R1.167 CC1=C(C(O)=O)C=C(Br)C=C1 BCP08460 [0,0,1,1,0,0|1,0,1]=4 68 B11R1.167 CC1=C(C(O)=O)C=C(I)C=C1 BCP08718 [0,0,1,1,0,0|1,0,1]=4 69 B11R1.167 CC1=CC=C(F)C=C1C(O)=O BCP15139 [0,0,1,1,0,0|1,0,1]=4 70 B11R1.167 ClC=1C=CC(=CC1C(O)=O)Br BCP07097 [0,0,1,1,0,0|2,0,0]=4 71 B11R1.167 FC1=CC=C(I)C=C1C(O)=O BCP14014 [0,0,1,1,0,0|2,0,0]=4 72 B11R1.167 O=C(O)C1=CC(F)=CC=C1N BCP16119 [0,0,1,1,0,0|2,0,0]=4 73 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,0,1,1,0,0|2,0,0]=4 74 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [1,0,0,1,0,0|0,0,2]=4 76 B11R2.1 O=C1COc2c1cccc2 BCP07835 [1,0,0,1,0,0|1,0,1]=4 77 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,0,0,1,1,0|2,0,0]=4 79 B11R2.10 O=C1NC=2C=CC=CC2N1 BCP18291 [0,0,0,1,1,0|2,0,0]=4 80 B11R2.10 O=C1OC2=CC=CN=C2N1 BCP10943 [0,0,0,1,1,0|2,0,0]=4 81 B13R2.72 O=C(O)C1=NNC2=NC=CC=C21 BCP08141 [0,0,0,1,0,1|2,0,0]=4 82 B13R2.423 O=C([C]1[C](C2=CC=CC=C2)C1)O BCP15494 [0,0,0,1,0,1|0,0,2]=4 83 B13R2.155 BrC1=CC2=C(C=CC(Br)=C2)C=C1 BCP09880 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.155 O=C1NC2=C(C=CC(O)=C2)C=C1 BCP12809 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.57 COC1=CC=2C=NC=CC2C=C1 BCP16502 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 BCP04093 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.57 O=Cc1cnc2c(c1)cccc2 BCP15507 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C]1O BCP13724 [0,1,0,1,0,0|1,0,1]=4 89 B13R2.369 NC1=CC=2C=CC=CC2OC1=O BCP20024 [0,1,0,1,0,0|0,0,0]=2 90 B13R2.435 CC(C1=NC=2C=CC=CC2S1)=O BCP18676 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.435 OC(C1=CC=2C=CC=CC2N1)=O BCP00082 [0,1,0,1,0,0|0,0,0]=2 92 B13R2.435 OC(C1=CN2C(C=CC=C2)=N1)=O BCP00633 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.328 BrC1=CC(C)=NC2=C1C=CC=C2 BCP22686 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.328 ClC1=C2C=CC=CC2=NC(Cl)=C1 BCP20135 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.328 NC1=CC(Br)=C2C=CC=CC2=C1 BCP19169 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.328 O=C1C=C(N)NC2=C1C=CC=C2 BCP07687 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.328 OC=1C=2C=CC=CC2SC(C1)=O BCP07314 [0,1,0,1,0,0|0,1,0]=3 98 B13R2.162 CC1=CC=CC2=CC=C(C)N=C21 BCP23522 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 BCP11203 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.3683 NC1=CC=C2C=C(Br)C=CC2=C1 BCP14076 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.3683 Nc1ccc2c(c1)ccc(c2)Br BCP10070 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,2,0|2,0,0]=4 103 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,2,0|1,0,0]=3