0 B6R0.3 CC(C)C(=N)NO CS-W011311 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 COC(=O)C(C)N CS-W011040 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.3 COC(C)CO CS-W011348 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.3 NNC(=O)CO CS-W006527 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.5 CC(=O)C(=O)[O-] CS-W016629 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [0,1,0,0,0,0|0,0,2]=3 23 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|1,0,1]=3 25 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,1,0,0,0,0|1,0,0]=2 30 B7R0.16 CN(C)C(=O)N(C)C CS-0011002 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.16 CN(C)C(=[F+])N(C)C CS-W012450 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.16 CN(C)C(Cl)=[N+](C)C CS-W012272 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|1,0,0]=2 36 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.22 N=C(NO)C1CC1 CS-W005177 [0,0,0,1,0,0|3,0,0]=4 38 B7R0.2 C=C\C(O)=N\C(C)C CS-W011259 [0,0,0,0,0,1|1,0,2]=4 39 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,0,0,0,0,1|2,0,1]=4 40 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,0,0,0,0,1|2,0,1]=4 41 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,0,0,0,0,1|1,0,0]=2 42 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 CC(C)ON CS-W008733 [2,0,0,0,0,0|1,0,0]=3 45 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CCS(=O)[O-] CS-0020098 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 CNN(C)C CS-M2145 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 C[C@@H](O)CO CS-W020032 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 C[C@H](N)CO CS-B1303 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.1 C[C@H](O)CO CS-0011520 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 N=C(O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.1 N=C(O)CO CS-W016686 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.4 CNCCC(C)C CS-W018343 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.7 CC(C)(C)C(N)=S CS-0044786 [1,1,0,0,0,0|1,1,0]=4 58 B6R0.7 CC(C)(C)S(N)=O CS-W008628 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.7 CC(C)S(N)(=O)=O CS-W005008 [1,1,0,0,0,0|1,0,1]=4 60 B6R0.7 O=C(O)C(F)(F)F CS-0103532 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.7 O=C(O)C(F)(F)F CS-W017765 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.2 CON(C)C(=O)C(C)C CS-D0582 [0,1,0,0,0,1|2,0,0]=4 63 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,1,0,0,0,1|1,0,0]=3 64 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,1,0,0,0,1|1,0,0]=3 65 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,1,0,0,0,1|0,0,1]=3 66 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,1,0,0,0,1|1,0,0]=3 67 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [0,1,0,0,0,1|1,0,0]=3 68 B8R0.24 C#CC(=O)OC(C)(C)C CS-W013498 [0,1,0,0,0,1|1,0,1]=4 69 B8R0.24 CC(C)(C)OC(=O)CN CS-W019643 [0,1,0,0,0,1|2,0,0]=4 70 B8R0.24 CC(C)(C)OC(=O)NN CS-W008846 [0,1,0,0,0,1|2,0,0]=4 71 B8R0.24 CNC(=O)OC(C)(C)C CS-W007463 [0,1,0,0,0,1|1,0,0]=3 72 B8R0.34 CCS(=O)(=O)OC(C)C CS-0044479 [0,1,0,0,0,1|2,0,0]=4 73 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,2,0,0,0,0|0,0,2]=4 74 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,2,0,0,0,0|1,0,0]=3 75 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|1,0,1]=4 77 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|1,0,0]=3 78 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.14 CC(C)(C)C(=O)OCI CS-0066217 [0,2,0,0,0,0|0,0,0]=2 81 B8R0.13 COC(=O)C(C)(C)C#N CS-0028771 [0,2,0,0,0,0|0,0,0]=2 82 B8R0.13 COC(=O)C(C)(C)CN CS-W018801 [0,2,0,0,0,0|0,0,0]=2 83 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [0,2,0,0,0,0|0,0,0]=2 84 B8R0.27 CC(C)(C)C(=O)C(=O)O CS-W005305 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [0,2,0,0,0,0|1,0,1]=4 86 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,0,1]=4 87 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,0,0,1,0,1|1,0,0]=3 90 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.39 COC(=O)C1(N)CC1 CS-W008219 [0,1,0,1,0,0|0,0,0]=2 95 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.50 CN1CCN(C)C1=O CS-W008767 [0,1,0,1,0,0|2,0,0]=4