0 B12R1.252 O=C(O)CCCC1=CC=CC=C1 BCP10715 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.28 BrCCCCC1=CC=CC=C1 BCP10383 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.28 C1=C(CCCCO)C=CC=C1 BCP16469 [1,0,0,0,0,0|0,0,1]=2 3 B11R1.28 ClCCCCC1=CC=NC=C1 BCP12323 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.45 O=C(CCC(O)=O)C1=CC=CC=C1 BCP09655 [0,1,0,0,0,0|0,0,1]=2 6 B13R1.351 O=C(O)[C](N)CCC1=CC=CC=C1 BCP11593 [0,1,0,0,0,0|0,0,1]=2 7 B13R1.513 BrC1=CC=C(CCCC(O)=O)C=C1 BCP10703 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.513 CC1=CC=C(CCCC(O)=O)C=C1 BCP10709 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.513 ClC1=CC=C(CCCC(O)=O)C=C1 BCP10717 [0,1,0,0,0,0|0,0,0]=1 10 B13R2.10 C1=C(C2CC(=O)NC2)C=CC=C1 BCP05253 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.10 O=C1OC[C](C2=CC=CC=C2)N1 BCP18925 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 BCP20116 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.163 O=C1CCCC2=CC=CN=C2N1 BCP08011 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.423 O=C([C]1[C](C2=CC=CC=C2)C1)O BCP15494 [0,0,0,1,0,0|0,0,2]=3 15 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 BCP13684 [0,0,0,0,1,0|3,0,0]=4 16 B12R1.8 BrCCCOCc1ccccc1 BCP20136 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.43 N[C](CC1=CC=CC=C1)C(O)=O BCP16807 [0,1,0,0,1,0|0,0,1]=3 18 B12R1.107 N[C@@H](CC(O)=O)C1=CC=CC=C1 BCP13904 [0,1,0,0,1,0|0,0,0]=2 19 B12R1.107 N[C](c1ccccc1)CC(=O)O BCP12759 [0,1,0,0,1,0|0,0,1]=3 20 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,1,0,0,1,0|0,0,0]=2 21 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,1,0,0,1,0|0,0,0]=2 22 B12R1.260 O=S(CC1=CC=CO1)CC(O)=O BCP10540 [0,1,0,0,1,0|2,0,0]=4 23 B14R1.677 ClC1=CC=C(CCNCC(O)C)C=C1 BCP20198 [0,1,0,0,0,1|1,0,1]=4 24 B14R1.678 O=C(O)CNC(C1=CC=C(N)C=C1)=O BCP04299 [0,2,0,0,0,0|1,0,1]=4 25 B14R1.5978 N[C](CC(O)=O)CC1=CC=CC(Cl)=C1 BCP28403 [0,2,0,0,0,0|0,0,1]=3 26 B14R1.337 CC1=CC=CC=C1C[C@@H](N)CC(O)=O BCP11563 [0,2,0,0,0,0|0,0,0]=2 27 B14R1.425 OC(C(O)C(N)CC1=CC=CC=C1)=O BCP05826 [0,2,0,0,0,0|0,0,0]=2 28 B14R1.698 N[C@@H](CC(O)=O)CC1=CC=C(I)C=C1 BCP11623 [0,2,0,0,0,0|0,0,0]=2 29 B14R1.4 O=C(O)CCCC1=CC=C(OC)C=C1 BCP08922 [0,2,0,0,0,0|0,0,0]=2 30 B14R1.520 CCOC(CCNC1=NC=CC=C1)=O BCP08905 [0,2,0,0,0,0|2,0,0]=4 31 B12R2.41 C12=CC=CC=C1NCCCC2 BCP13917 [1,0,0,1,0,0|1,0,1]=4 32 B12R2.1081 O=C1C=2C=NC=CC2CCC1 BCP12803 [1,0,0,1,0,0|1,0,0]=3 33 B12R2.1081 O=C1CCCC2=C1C=NC=C2 BCP08935 [1,0,0,1,0,0|1,0,0]=3 34 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [1,0,0,1,0,0|1,0,0]=3 35 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [1,0,0,1,0,0|1,0,0]=3 36 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 BCP20138 [0,0,0,1,1,0|1,0,0]=3 37 B14R2.19 O=C1OC[C](CC2=CC=CC=C2)N1 BCP11649 [0,0,0,1,0,1|1,0,1]=4 38 B14R2.19 S=C1OC[C@H](N1)CC2=CC=CC=C2 BCP11222 [0,0,0,1,0,1|1,1,0]=4 39 B14R2.19 S=C1SC[C@@H](CC2=CC=CC=C2)N1 BCP11242 [0,0,0,1,0,1|1,1,0]=4 40 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 BCP06775 [0,0,0,1,0,1|1,0,0]=3 41 B14R2.31359 O=C([C]1CCCC2=C1C=CC=C2)O BCP08831 [0,0,0,1,0,1|0,0,0]=2 42 B14R2.68 O=C1OC[C](C2=CC=CC=C2)NC1 BCP16500 [0,1,0,1,0,0|1,0,1]=4 43 B14R2.68 O=C1OC[C](C2=CC=CC=C2)NC1 BCP19918 [0,1,0,1,0,0|1,0,1]=4 44 B14R2.781 OC([C@@H]1OC2=CC=CC=C2OC1)=O BCP15476 [0,1,0,1,0,0|1,0,0]=3 45 B14R2.741 O=C1N(C)CCC2=CC=CC=C2C1 BCP14432 [0,1,0,1,0,0|2,0,0]=4 46 B14R2.20 C1[C@H](CNC1=O)C2=CC=C(C=C2)Cl BCP24342 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.20 O=C1CC(CN1)C2=CC=C(Cl)C=C2 BCP15750 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,2,0|1,0,0]=3 49 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,2,0|2,0,0]=4 50 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,2,0|2,0,0]=4 51 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,2,0|1,0,0]=3 52 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,2,0|2,0,0]=4 53 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [0,0,0,0,2,0|1,0,0]=3 54 B10R1.66 O=C(O)CCC1=CSC=C1 BCP20489 [0,0,0,0,2,0|1,0,0]=3 55 B10R1.66 OC(=O)CCn1cncc1 BCP11410 [0,0,0,0,2,0|2,0,0]=4