0 B9R1.35 N=C1NN=C(C(=O)O)N1 CS-W004714 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,0,0,0|0,0,1]=2 10 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.7 O=C(O)C1=NC=CN1 CS-W002590 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,0,0,0|0,0,1]=2 14 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,1,0,0,0,0|0,0,0]=1 19 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.58 CN1CC(C(N)=O)CC1=O CS-0037505 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O CS-0044233 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 CS-0060828 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [0,0,1,0,0,0|1,0,0]=2 25 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,1,0,0,0|1,0,0]=2 26 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,1,0,0,0|1,0,0]=2 27 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [0,0,1,0,0,0|2,0,0]=3 28 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,0,1,0|1,0,2]=4 29 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.13 CC(=O)N1CCC(=O)CC1 CS-W018303 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,0,0,0,0,1|2,0,1]=4 32 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,0,0,0,0,1|0,0,2]=3 34 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 CS-0101607 [0,0,0,0,0,1|0,0,0]=1 36 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,1,0,0,0|1,0,1]=4 38 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,1,0,0,0|1,0,1]=4 41 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,1,0,0,0|1,0,0]=3 42 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,0,1,0,0,0|0,1,0]=3 43 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,1,0,0,0|1,0,0]=3 44 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [2,0,0,0,0,0|0,0,2]=4 45 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [2,0,0,0,0,0|0,0,2]=4 46 B7R1.2 O=C1CC(O)CN1 CS-W018808 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,1,1,0,0,0|1,0,0]=3 50 B9R0.47 C=CCSC[C@@H](N)C(=O)O CS-0100203 [0,1,1,0,0,0|1,0,0]=3 51 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,1,1,0,0,0|0,0,0]=2 52 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,1,0,0,0|1,0,0]=3 53 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [1,1,0,0,0,0|0,0,1]=3 55 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [1,1,0,0,0,0|0,0,1]=3 56 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [1,1,0,0,0,0|0,0,1]=3 57 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [1,1,0,0,0,0|0,0,1]=3 58 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [1,1,0,0,0,0|0,0,1]=3 59 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1365 [1,1,0,0,0,0|0,0,1]=3 60 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M3406 [1,1,0,0,0,0|0,0,1]=3 61 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.163 NC1(C(=O)O)CCNC1 CS-M0821 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 CN1CC(C(=O)O)CCC1=O CS-0052432 [0,1,0,0,0,1|0,0,0]=2 64 B11R1.22 COC(=O)C1CCC(=O)CC1 CS-W005848 [0,1,0,0,0,1|1,0,0]=3 65 B11R1.22 COC(=O)C1CCC(=O)NC1 CS-0044684 [0,1,0,0,0,1|0,0,0]=2 66 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 CS-M1590 [0,1,0,0,0,1|1,0,1]=4 67 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 CS-W005642 [0,1,0,0,0,1|2,0,0]=4 68 B11R1.645 O=C(O)CC1NC(=O)NC1=O CS-W017961 [0,1,0,0,0,1|1,0,1]=4 69 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 CS-0063200 [0,1,0,0,0,1|1,0,0]=3 70 B11R1.74 O=C1C[C@H](C(=O)O)NC(=O)N1 CS-0096922 [0,1,0,0,0,1|0,0,1]=3 71 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CS-W020688 [0,2,0,0,0,0|0,0,0]=2 72 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,0,1,1,0,0|2,0,0]=4 73 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,1,1,0,0|1,0,1]=4 74 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [0,0,1,1,0,0|2,0,0]=4 75 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,0,1,1,0,0|1,0,1]=4 76 B9R2.39 O=C1NC2C=CC1C2 CS-W019811 [1,0,0,1,0,0|1,0,0]=3 77 B11R2.66 O=C1CN2C(=O)CCC2N1 CS-0026742 [0,0,0,1,0,1|1,0,0]=3 78 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,0,1,0|1,0,1]=4 79 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,0,1,0|0,0,1]=3 80 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,0,0,0,2,0|1,0,1]=4 81 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,0,0,0,2,0|1,0,1]=4 82 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [1,0,0,0,0,1|0,0,1]=3 83 B11R1.20 CC(=O)NC1CCC(=O)CC1 CS-M1862 [0,0,0,0,0,2|2,0,0]=4