0 B10R1.271 CN1C(=O)NC(C1=O)(C)C PH005107 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.271 N1C(=S)N(C(=O)C1(C)C)C S275166 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.36 CC1(C=C(C(=O)C1)Br)C T227870 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.36 CC1CC(NC1=O)(C)C CBR01662 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.37 CC1NC(=O)N(C1=O)C CBR02204 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.37 CC1NC(=S)N(C1=O)C PH002723 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.37 CN1C(=O)NC(=O)C1=O CBR02185 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.37 CN1CC(=O)N(C1=S)C S986208 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.38 CC1(OC(=S)NC1=O)C S630373 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.38 N1C(=O)C(CC1C)(C)C S950912 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.38 N1C(=O)CC(C1=O)(C)C S950858 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.60 C=CCC(C)(C)C(=O)CC S312657 [0,0,1,0,0,0|3,0,0]=4 13 B11R2.1753 CC1(OC(=O)C2C1(C2)C)C T174378 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.1361 CC1(CC(=O)C(C(=O)C1)Br)C S812110 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.1361 CC1=C(CC(CC1=O)(C)C)N S897353 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.1361 CN1C(=O)CC(CC1=O)(C)C PH009394 [0,0,0,0,0,1|1,0,0]=2 17 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [1,0,1,0,0,0|0,0,1]=3 18 B8R0.34 CCC(C)(C)OC(=O)C S851981 [1,0,1,0,0,0|1,0,1]=4 19 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [1,0,1,0,0,0|1,0,0]=3 20 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [1,0,1,0,0,0|2,0,0]=4 21 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [1,0,1,0,0,0|2,0,0]=4 22 B8R0.23 CC(C)OC(=O)N(F)F PH009514 [1,0,1,0,0,0|2,0,0]=4 23 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [1,0,1,0,0,0|2,0,0]=4 24 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.14 CCNC(=O)C(C)(C)O S536970 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.27 CN(C)C(=O)C(C)(C)N CBR01553 [1,0,1,0,0,0|1,0,1]=4 27 B8R0.27 CN(C)C(=O)C(C)(C)N CDS024007 [1,0,1,0,0,0|1,0,1]=4 28 B8R0.12 C=CCC(C)(C)C(=O)C T292311 [1,0,1,0,0,0|2,0,0]=4 29 B8R0.13 CNC(=O)C(C)(C)NC CDS021433 [1,0,1,0,0,0|1,0,1]=4 30 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.18 CC1=CC(=O)NC1=O PH010527 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.18 CC1CC(C(=O)O1)C S327565 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.18 O=C1NC(=O)C(N1)O CDS005149 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.51 CC1(CNC(=O)O1)C T283703 [2,0,0,0,0,0|0,0,1]=3 36 B8R1.50 CC1C(=O)COC1=O S839418 [2,0,0,0,0,0|1,0,0]=3 37 B10R0.47 COC(=O)OC(C)(C)C(=O)C S303666 [0,1,1,0,0,0|1,0,0]=3 38 B10R0.117 CC(C)C(=O)C(C)(C)C(=O)N PH008447 [0,1,1,0,0,0|2,0,0]=4 39 B10R1.34 CCC1SC(=S)N(C1=O)C PH004885 [1,1,0,0,0,0|0,2,0]=4 40 B12R1.3839 CCC1(C(=O)N(C(=O)N1Br)Br)C S775991 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.3839 CCC1(C(=O)N(C(=O)N1Br)C)C S778133 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.1116 CC1(OC(=O)N(C1=O)CCCl)C PH018115 [0,2,0,0,0,0|0,0,0]=2 43 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,0,0,1,0,1|2,0,0]=4 44 B10R0.93 CC(Br)C(=O)NC(C)C(=O)O S342726 [0,0,1,0,0,1|2,0,0]=4 45 B10R1.329 CC1=CC(=O)OC(C1)(C)C S346292 [1,0,0,0,0,1|1,0,1]=4 46 B10R1.118 C[C@@H]1NC(=O)[C@H](NC1=O)C PH000837 [1,0,0,0,0,1|2,0,0]=4 47 B10R1.63 CC1(CNC(=O)NC1=O)Br S571385 [1,0,0,0,0,1|2,0,0]=4