0 B9R0.39 CC(C)CC(CN)C(=O)O CS-0416090 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0061016 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CCC(NC(N)=O)C(=O)O CS-0233619 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CS-0138009 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.15 C=CCC(CC)C(=O)O CS-0240003 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.15 CCC(NC=O)C(=O)O CS-0201565 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.16 C=CC(CC)OC(C)=O CS-0440529 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.16 CC(=O)NC(CO)CO CS-0247899 [1,0,0,0,0,0|0,1,1]=3 8 B8R0.16 CC(=O)OC(CO)CO CS-0450287 [1,0,0,0,0,0|1,1,1]=4 9 B8R0.23 C=C(C)C[C@@H](N)C(=O)O CS-0504381 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 C=C(C)C[C@H](N)C(=O)O CS-0040778 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.23 C=C(NC(C)=O)C(=O)O CS-W011122 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.23 CC(=O)CC(C)C(=O)O CS-0054789 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(=O)NC(C)C(C)=O CS-0199981 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CS-0333964 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.23 CC(=O)OC(C)C(C)=O CS-W013436 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.23 CC(NC(N)=O)C(=O)O CS-0307440 [1,0,0,0,0,0|1,0,0]=2 17 B8R0.23 C[C@H](CC(=O)O)C(=O)O CS-0200145 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.23 C[C@H](NC(N)=O)C(=O)O CS-0235093 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.23 O=C(O)C[C@H](Br)C(=O)O CS-0571726 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.23 C=CCC(NC(C)=O)C(=O)O CS-0249294 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.23 CCCC(NC(N)=O)C(=O)O CS-0251659 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O CS-0201921 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.23 COCC(NC(C)=O)C(=O)O CS-0233001 [0,1,0,0,0,0|0,1,0]=2 24 B10R0.53 CCC(NC(=O)CN)C(=O)O CS-0364345 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.53 NCC(=O)N[C@@H](CO)C(=O)O CS-W014380 [0,1,0,0,0,0|0,1,0]=2 26 B10R0.53 O=C(CCl)NC(CO)C(=O)O CS-0206541 [0,1,0,0,0,0|0,1,0]=2 27 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC CS-0162209 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.54 COC(=O)C(CCl)NC(C)=O CS-0015411 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.162 CC(C)C(NC(N)=O)C(=O)O CS-0219570 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0152681 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 CS-0438370 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.359 CC1(C)NC(C(=O)O)CS1 CS-0309005 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS-W023143 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.361 CC(C)N1CC[C@H]1C(=O)O CS-0052349 [0,0,0,1,0,0|2,0,1]=4 35 B8R0.18 CC(C)C(CN)C(=O)O CS-0143431 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.18 CCC(C(=O)O)C(C)N CS-0758208 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.18 CCC(C(=O)O)N(C)C CS-0231792 [0,0,0,0,1,0|3,0,0]=4 38 B8R0.18 CCC(C(C)=O)C(C)=O CS-0095587 [0,0,0,0,1,0|2,0,0]=3 39 B8R0.18 CCC(C(N)=O)C(N)=O CS-0292475 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.5 CC(NC=O)C(=O)O CS-0201634 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.5 CCOC(C)C(=O)O CS-0136065 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.5 CNCC(C)C(=O)O CS-0216874 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 COCC(C)C(=O)O CS-0737187 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CSCC(C)C(=O)O CS-0259419 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 C[C@H](NC=O)C(=O)O CS-0201635 [2,0,0,0,0,0|0,0,0]=2 46 B7R0.12 O=CNC(CO)CO CS-0258754 [2,0,0,0,0,0|0,1,1]=4 47 B7R0.15 CCC(NC)C(=O)O CS-0251353 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.15 CCC(NC)C(N)=O CS-0324764 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.15 CCC(SC)C(=O)O CS-0223304 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.15 CC[C@H](NC)C(N)=O CS-0961781 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.15 CN[C@@H](CO)C(=O)O CS-0187590 [2,0,0,0,0,0|0,1,0]=3 52 B7R0.15 CN[C@H](CO)C(=O)O CS-0151242 [2,0,0,0,0,0|0,1,0]=3 53 B7R0.2 CC(=O)NC(=O)CBr CS-0242454 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(=O)NC(=O)CCl CS-0220116 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.6 CC(=O)NNC(N)=O CS-0852123 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.6 CC(C)NCC(=O)O CS-0246606 [2,0,0,0,0,0|1,0,1]=4 60 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.6 O=C(O)CCC(=O)O CS-0504137 [2,0,0,0,0,0|2,0,0]=4 62 B9R0.33 CC(C)[C@H](NC=O)C(=O)O CS-0201914 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.33 CCNC(C(=O)O)C(C)C CS-0257986 [1,1,0,0,0,0|1,0,1]=4 64 B9R0.11 CC(=O)NC(C)(C)C(=O)O CS-0216989 [1,1,0,0,0,0|0,0,0]=2 65 B9R0.23 CNC(=O)[C@H](C)NC(C)=O CS-0210640 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.23 COC(=O)C(C)CC(C)=O CS-0233831 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.23 COC(=O)C(C)OC(C)=O CS-0161286 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.23 COC(=O)[C@H](C)OC(C)=O CS-0161605 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.42 CC(NC(=O)CCl)C(=O)O CS-0201631 [1,1,0,0,0,0|0,0,0]=2 70 B9R0.42 CC(NC(=O)CN)C(=O)O CS-0312671 [1,1,0,0,0,0|0,0,0]=2 71 B9R0.42 CCC(=O)NC(C)C(=O)O CS-0825091 [1,1,0,0,0,0|0,0,0]=2 72 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O CS-0263363 [1,1,0,0,0,0|0,0,0]=2 73 B9R0.42 COC(=O)CC(C)C(=O)O CS-0517436 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.42 NCC(=O)CC(N)C(=O)O CS-0697871 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.57 CC(NS(C)(=O)=O)C(=O)O CS-0245835 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O CS-0158275 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.79 CC(C(=O)O)C(N)C(=O)O CS-W018217 [1,1,0,0,0,0|2,0,0]=4 78 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O CS-0153941 [0,2,0,0,0,0|1,0,0]=3 79 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O CS-0667612 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.160 CCCC[C@@H](NC(C)=O)C(=O)O CS-0453531 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.160 CSCCC(NC(N)=O)C(=O)O CS-0303966 [0,2,0,0,0,0|1,0,0]=3 82 B11R0.160 CSCC[C@H](NC(N)=O)C(=O)O CS-0246051 [0,2,0,0,0,0|1,0,0]=3 83 B11R0.236 CCCC(NC(=O)CCl)C(=O)O CS-0454979 [0,2,0,0,0,0|1,0,0]=3 84 B11R0.236 CCCC(NC(=O)CN)C(=O)O CS-0313250 [0,2,0,0,0,0|1,0,0]=3 85 B11R0.108 CC(C)C(NC(=O)CCl)C(=O)O CS-0201912 [0,2,0,0,0,0|1,0,0]=3 86 B11R0.108 CC(C)[C@H](NC(=O)CCl)C(=O)O CS-0201913 [0,2,0,0,0,0|1,0,0]=3 87 B11R0.108 C[C@H](O)[C@@H](NC(=O)CN)C(=O)O CS-0455465 [0,2,0,0,0,0|0,1,0]=3 88 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.6 O=C(O)C1CSCCS1 CS-0240095 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.22 CCC1NC(=O)NC1=O CS-0084710 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.22 O=C1NC(=O)C(CO)N1 CS-0248982 [1,0,0,1,0,0|1,1,0]=4 92 B9R1.22 O=C1NC(=O)C(CS)N1 CS-0242991 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.35 NC(=O)C1CCC(=O)N1 CS-0130439 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.35 O=C1CC(C(=O)O)CS1 CS-0184651 [1,0,0,1,0,0|1,0,0]=3 95 B9R1.35 O=C1N[C@H](C(=O)O)CO1 CS-0099760 [1,0,0,1,0,0|0,1,0]=3 96 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053472 [1,0,0,1,0,0|0,1,1]=4 97 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CS-0026728 [1,0,0,1,0,0|0,1,1]=4 98 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-M2136 [1,0,0,1,0,0|0,1,1]=4 99 B9R1.2 CCC1COCC(=O)N1 CS-0146685 [1,0,0,1,0,0|1,0,1]=4 100 B9R1.2 O=C1CCC[C@@H](CO)N1 CS-0199303 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.67 CC(=O)OC1CCC1=O CS-0506288 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.152 CC(=O)C1(C)CC(=O)C1 CS-1057305 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O CS-0474007 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.161 O=C(O)C1CC1C(=O)O CS-0141448 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CS-0053574 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.168 CC(=O)C1(C(=O)O)CC1 CS-0090847 [0,0,0,1,1,0|1,0,0]=3 107 B9R1.168 CC(=O)C1(C(C)=O)CC1 CS-0455007 [0,0,0,1,1,0|2,0,0]=4 108 B9R1.168 NC(=O)C1(C(=O)O)CC1 CS-0088462 [0,0,0,1,1,0|2,0,0]=4 109 B11R1.178 CC(=O)N1CCCC1C(N)=O CS-0205325 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O CS-0196843 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.178 NC(=O)N1CCCC1C(=O)O CS-0120376 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O CS-0119977 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.21 CN1CCC(C(=O)O)CC1=O CS-0052452 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.167 CC(C)C1NC(=O)CNC1=O CS-0154076 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.870 COC(=O)C1CCC1C(=O)O CS-0045485 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.870 COC(=O)[C@@H]1CC[C@H]1C(=O)O CS-0057103 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.23 COC(=O)C1CCCC(=O)N1 CS-0035474 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.23 COC(=O)C1CNCC(=O)N1 CS-0150658 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.159 CN1C(=O)CCCC1C(=O)O CS-0445462 [0,1,0,1,0,0|1,0,0]=3 120 B7R0.16 CC(C(N)=O)C(N)=O CS-0235187 [1,0,0,0,1,0|2,0,0]=4 121 B7R0.16 CC(C)C(S)C(=O)O CS-0222512 [1,0,0,0,1,0|1,0,1]=4 122 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [1,0,0,0,1,0|2,0,0]=4 123 B7R0.16 O=C(O)C(F)C(=O)O CS-0469892 [1,0,0,0,1,0|2,0,0]=4 124 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CS-0199359 [1,0,0,0,0,1|2,0,0]=4 125 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O CS-W010858 [1,0,0,0,0,1|1,0,0]=3 126 B9R0.53 CC(=O)NC(C)CC(=O)O CS-0276848 [1,0,0,0,0,1|0,0,0]=2 127 B9R0.53 CC(=O)OC(C)OC(C)=O CS-0206532 [1,0,0,0,0,1|2,0,0]=4