0 B8R0.11 CCCCC(C#N)CC CS-0253152 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.11 CCCCN(CC)CC CS-0152122 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.11 CCC\C=C(\CC)CO CS-0699177 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.3 C#CCNC(=O)CC CS-0225175 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 C#CCOC(=O)CC CS-0464619 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.3 C=C(CCl)OCOC CS-0055666 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 C=CC(=O)NCCC CS-0167916 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.3 C=CC(=O)OCCC CS-0870996 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.3 C=CCCC(=O)CC CS-0253493 [1,0,0,0,0,0|0,0,3]=4 9 B7R0.3 CCC(=O)NCCN CS-0697791 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 CCC(=O)NCCO CS-0449194 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 CCCCC(Br)CC CS-0333705 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 CCCCC(O)CC CS-0137777 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.3 CCCNC(=O)CBr CS-0240203 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.3 CCCNC(=O)CN CS-0454285 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.3 CCCOC(=O)CN CS-0727430 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.3 CCNCC(=O)OC CS-0342279 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.3 CCOCC(=O)OC CS-0260436 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.3 CNC(=O)CCCCl CS-0249742 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.3 CNC(=O)CCCN CS-0207685 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.3 CNC(=O)OCCO CS-0075093 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.3 CNCCC(=O)NC CS-0217040 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.3 CNCCC(=O)OC CS-0454555 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.3 O=C(CCl)NCCCl CS-0715480 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.13 CCC(CCOC)C(=O)O CS-0236215 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0337608 [0,1,0,0,0,0|0,0,2]=3 28 B9R0.13 CCCCC(CC)C(=O)[O-] CS-0450302 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.13 CCCC[C@H](NC)C(=O)O CS-0210729 [0,1,0,0,0,0|1,0,2]=4 30 B9R1.1 CC1CCC(=CBr)CC1 CS-0671881 [0,0,0,1,0,0|1,0,1]=3 31 B9R1.1 CC1CCC(=NO)CC1 CS-0307774 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.12 CCCCC1ccCC1 CS-0069717 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.15 CC1CCCC\C1=N\O CS-0335335 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.15 CCC1=CN=CNC1=O CS-0045834 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.15 CCN1CCNCC1=O CS-0002041 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.15 COC1=CCCCC1=O CS-0340779 [0,0,0,1,0,0|1,0,0]=2 37 B9R1.15 CSC1CCCCC1=O CS-0348680 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.15 O=C1CCCCN1CCl CS-0261283 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.21 CCC1=NOC(C=O)=C1 CS-0309787 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.21 CCN1C=C(C=O)N=N1 CS-0247399 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.21 CCN1C=CC(C=O)=C1 CS-0217985 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.21 CCN1C=NC(C=O)=C1 CS-0197470 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.89 COC1=NCCCCC1 CS-W019476 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.89 ON=C1CCCCCC1 CS-0449588 [0,0,0,1,0,0|1,0,2]=4 45 B6R0.1 C(C)=CC(=O)CC CS-W013723 [2,0,0,0,0,0|0,0,1]=3 46 B6R0.1 CCCC(=O)CCl CS-0252325 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.1 CCCC(=O)NO CS-0179704 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 CCNC(=O)CC CS-0205055 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 CCNC(=O)CCl CS-0037573 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 CCNC(=O)CI CS-0258404 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 CCNC(=O)CN CS-0464992 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 CCNC(=O)CO CS-0239967 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 CCOC(=N)CC CS-0047019 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.1 CCS(=O)CCCl CS-0697603 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 CCSC(=O)CC CS-0313626 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.1 CN(C=O)CCO CS-0315134 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.1 CNC(=O)CCN CS-0665982 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CNC(=O)COC CS-0243458 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.1 CNCC(=O)NC CS-0039124 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.1 CNCC(=O)NC CS-0213249 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 C=C(C)CNCC CS-0119901 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.4 CC(=O)SCCN CS-0256575 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CC(=O)SCCN CS-0680538 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCCCC(=O)Br CS-0185634 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.4 CCCCC(N)=O CS-0206049 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.4 CCCNC(N)=O CS-0207277 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CCONC(C)=O CS-0017501 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CC\C=C\C(C)=O CS-0782888 [2,0,0,0,0,0|0,0,1]=3 71 B6R0.4 CSCOC(C)=O CS-0316444 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.6 CCCCSCC CS-0206090 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.6 CCCNCCC CS-0515976 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.6 CCCNCCC CS-0621747 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.6 CCC\C=C/CO CS-0185821 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.6 CC\C=C/CCBr CS-0700616 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.6 C\C=C\C=C\C=O CS-0067535 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.9 CCC(CC)=NO CS-0248514 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.1 CCCNC(=O)CCN CS-0250637 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.1 CCCNC(=O)CNC CS-0246714 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.1 CCCOC(=O)CCN CS-0258841 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.1 CCCOC(=O)OCCl CS-0164395 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.1 CCNC(=O)NCCO CS-0258450 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.1 CCOC(=O)CCOC CS-0217247 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.1 CCOC(=O)CSCC CS-0151560 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.1 CCOC(=O)NCCCl CS-0151524 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.1 CCOC(=O)NCCO CS-0719448 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.1 CCOC(=O)\C=C\CBr CS-0166774 [1,1,0,0,0,0|1,0,1]=4 89 B8R0.1 CCOC(=O)\C=C\CO CS-0683674 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.1 CC\C=C\C(=O)OCC CS-0361328 [1,1,0,0,0,0|0,0,1]=3 91 B8R0.1 C\C=C\C(=O)CCCC CS-0504757 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.3 CCCC(=O)C(=O)OC CS-0185771 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.3 CCCC(=O)C(C)CC CS-0205164 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.3 CCCN(C)C(=O)CCl CS-0259353 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.3 CCOC(=O)C(=O)NC CS-0036984 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.3 C\C=C(/C)C(=O)OCC CS-0186102 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.6 CCCCNC(=O)CBr CS-0573211 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.6 CCCCNC(=O)CC CS-0465067 [1,1,0,0,0,0|0,0,1]=3 100 B8R0.6 CCCCOC(=O)CF CS-0451760 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.6 CCCNCC(=O)NC CS-0250593 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.6 CCC\C=C\C(=O)OC CS-0166790 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.6 COC(=O)CCCSC CS-0327058 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.6 COCCNC(=O)CCl CS-0076569 [1,1,0,0,0,0|2,0,0]=4 105 B8R0.6 COCCNC(=O)CN CS-0260223 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.6 COCCOC(=O)CCl CS-0321021 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.8 CC(C)C(=O)NCCN CS-0258564 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.8 CC(O)C(=O)NCCO CS-0153945 [1,1,0,0,0,0|2,0,0]=4 109 B8R0.8 CCCCC(=O)C(C)=O CS-0329990 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.8 CCCCC(=O)[C@H](C)N CS-0152397 [1,1,0,0,0,0|0,0,1]=3 111 B8R0.8 CCCCC(C)C(C)=O CS-0239540 [1,1,0,0,0,0|0,0,2]=4 112 B8R0.8 CCCNC(=O)C(C)Cl CS-0241506 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.8 CCCNC(=O)C(C)N CS-0231050 [1,1,0,0,0,0|1,0,0]=3 114 B8R0.8 CCCOC(=O)C(C)Cl CS-0263294 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.8 CCCOC(=O)[C@H](C)N CS-0538737 [1,1,0,0,0,0|1,0,0]=3 116 B8R0.8 CCCOC(=O)[C@H](C)O CS-0238611 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.8 COCCC(=O)C(C)C CS-0261562 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.9 CC(C)CNC(=O)CBr CS-0695805 [1,1,0,0,0,0|2,0,0]=4 119 B8R0.9 CC(C)CNC(=O)CCl CS-0116593 [1,1,0,0,0,0|2,0,0]=4 120 B8R0.9 CC(C)CNC(=O)CN CS-0252470 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.9 CCC(=O)NCC(C)C CS-0152594 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.9 COC(=O)\C=C\C(C)C CS-0113137 [1,1,0,0,0,0|1,0,1]=4 123 B8R0.19 CCC(C)NC(=O)CCl CS-0307562 [1,1,0,0,0,0|2,0,0]=4 124 B8R0.19 [C@H](O)(CC)CC(=O)OC CS-W013416 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.15 CCCC(OC)C(=O)O CS-0240201 [1,1,0,0,0,0|1,0,1]=4 126 B8R0.15 CCC[C@H](NC)C(=O)O CS-0208805 [1,1,0,0,0,0|1,0,1]=4 127 B10R0.17 CCOC=C(C(C)=O)C(C)=O CS-0663052 [0,2,0,0,0,0|1,0,1]=4 128 B10R0.84 CC(C)C\C=C(\C=O)C(C)C CS-W016266 [0,2,0,0,0,0|0,0,0]=2 129 B10R0.85 CCCCN(CC)C(=O)CCl CS-0240779 [0,2,0,0,0,0|1,0,1]=4 130 B10R0.86 CCCCCC(CC)C(=O)O CS-0232103 [0,2,0,0,0,0|0,0,2]=4 131 B10R0.101 CCCC(O)C(CC)C(=O)O CS-0962717 [0,2,0,0,0,0|0,0,2]=4 132 B10R0.101 CCOC(=O)C(CC)C(=O)O CS-0237390 [0,2,0,0,0,0|1,0,1]=4 133 B10R0.87 CCCCC(CC)CC(=O)O CS-0217621 [0,2,0,0,0,0|0,0,2]=4 134 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [1,0,0,1,0,0|0,0,1]=3 135 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.2 O=CC1=CCCCC1 CS-0204676 [1,0,0,1,0,0|0,0,0]=2 138 B8R1.2 O=CC1=CCCSC1 CS-0235134 [1,0,0,1,0,0|1,0,0]=3 139 B8R1.2 O=CC1CCCCN1 CS-0171600 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.2 O=CC1CCCCO1 CS-0183379 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [1,0,0,1,0,0|0,0,1]=3 142 B8R1.3 CC1CNC(=O)CN1 CS-0050431 [1,0,0,1,0,0|2,0,0]=4 143 B8R1.3 CN1CC=C(Br)CC1 CS-0696146 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.3 O=C1CCC(Br)CC1 CS-0139183 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.5 CC1=CCCCC1=O CS-0206231 [1,0,0,1,0,0|0,0,0]=2 148 B8R1.5 CC1CCCOC1=O CS-0440412 [1,0,0,1,0,0|1,0,0]=3 149 B8R1.5 CC1CSCCC1=O CS-0152667 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.5 CC1SCCNC1=O CS-0006425 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.5 CN1CCCCC1=O CS-0222604 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.5 N[C@@H]1CCCNC1=O CS-0200063 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.5 N[C@H]1CCCNC1=O CS-W003592 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.5 O=C1CCCC=C1Br CS-0205484 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.5 O=C1CCCCC1F CS-0040502 [1,0,0,1,0,0|1,0,1]=4 156 B8R1.5 O=C1OCCCC1O CS-W021939 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.13 O=C1CCC1CCCl CS-0474223 [1,0,0,1,0,0|1,0,1]=4 158 B8R1.22 O=C1CCOCCO1 CS-0205374 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.22 O=C1CNCCCN1 CS-0067156 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.22 O=C1CNCCCN1 CS-W003914 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.22 S=C1CCCCCN1 CS-W016412 [1,0,0,1,0,0|1,1,0]=4 162 B8R1.38 O=C(CBr)C1CCC1 CS-0210596 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.40 CN(C=O)CC1CC1 CS-0239036 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.40 NCC(=O)NC1CC1 CS-0110031 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.50 CC1CCC(=O)N1C CS-0747014 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.50 CC1CCN(C)C1=O CS-0055119 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.83 COC(=O)C1CC1C CS-0253074 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.11 CCN1CCNC1=O CS-0090841 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.11 O=C1CCCN1CO CS-0216990 [1,0,0,1,0,0|2,0,0]=4 170 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 CS-0114192 [0,1,0,1,0,0|0,0,2]=4 171 B10R1.19 C=CN1CCCCCC1=O CS-0077097 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.35 CCN1C=C(C=O)C(C)=N1 CS-0206658 [0,1,0,1,0,0|1,0,1]=4 173 B10R1.61 CC1CCCC=C1C(=O)O CS-0260958 [0,1,0,1,0,0|0,0,0]=2 174 B10R1.348 CC(=O)N1CCCCCC1 CS-0225877 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.348 O=C(O)C1CCCCCN1 CS-0217703 [0,1,0,1,0,0|1,0,1]=4 176 B10R1.477 CCC1(C(=O)O)CCCN1 CS-0308508 [0,1,0,1,0,0|1,0,1]=4 177 B10R1.256 COC1=C(C)OC(C)C1=O CS-W014387 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.258 CCN1N=CC(C=O)=C1C CS-0096375 [0,1,0,1,0,0|1,0,1]=4 179 B10R1.405 CCOC(=O)C1(C=O)CC1 CS-0377049 [0,1,0,1,0,0|1,0,1]=4 180 B10R1.4 CCCC1CCCCC1=O CS-0205078 [0,1,0,1,0,0|0,0,2]=4 181 B10R1.4 CCOC1=CCCCC1=O CS-0151448 [0,1,0,1,0,0|0,0,0]=2 182 B10R1.4 CCOC1CCCCC1=O CS-0332852 [0,1,0,1,0,0|0,0,2]=4 183 B10R1.96 CCC1=CSC(CCN)=N1 CS-0257706 [0,1,0,1,0,0|1,1,0]=4 184 B10R1.96 CCCC1=CC=C(C=O)S1 CS-0196318 [0,1,0,1,0,0|0,0,2]=4 185 B10R1.96 CCCC1=NC(CN)=CS1 CS-0443700 [0,1,0,1,0,0|1,1,0]=4 186 B10R1.96 CCCC1=NOC(C=O)=N1 CS-0468849 [0,1,0,1,0,0|2,0,0]=4 187 B10R1.96 CCCN1C=C(C=O)N=N1 CS-0247325 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.96 CCCN1C=NC(C=O)=C1 CS-0210897 [0,1,0,1,0,0|1,0,1]=4 189 B10R1.96 CCN1C=C(CNC)C=N1 CS-0217551 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.2 CCC1NCCN(C)C1=O CS-0245202 [0,1,0,1,0,0|1,0,1]=4 191 B10R1.2 CCN1CCCC(Br)C1=O CS-0248184 [0,1,0,1,0,0|1,0,1]=4 192 B10R1.2 CCN1CCNC(C)C1=O CS-0235226 [0,1,0,1,0,0|1,0,1]=4 193 B10R1.2 CCN1CCNC(C)C1=O CS-0338250 [0,1,0,1,0,0|1,0,1]=4 194 B10R1.3 CCC1CC=C(C#N)CC1 CS-0248584 [0,1,0,1,0,0|1,0,1]=4 195 B10R1.3 CCN1CCC(C=O)CC1 CS-0216287 [0,1,0,1,0,0|0,0,2]=4 196 B10R1.3 O=CN1CCC(CO)CC1 CS-0155235 [0,1,0,1,0,0|1,0,1]=4 197 B10R2.62 O=C1CC2CCC1CC2 CS-W018644 [0,0,0,2,0,0|0,0,2]=4