0 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 CN(C)C(=O)CBr CS-W017882 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 COC(=O)C(C)N CS-W011040 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 C\C(N)=C\C#N CS-0005803 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 CC(=O)C(=O)[O-] CS-W016629 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [0,1,0,0,0,0|0,0,0]=1 19 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,1]=3 20 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,1,0,0,0,0|0,0,2]=3 24 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,1,0,0,0,0|1,0,1]=3 25 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.16 CN(C)C(=O)N(C)C CS-0011002 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.4 CC1=C(Cl)SC=C1 CS-W013401 [0,0,0,1,0,0|1,1,1]=4 28 B7R1.4 CC1=CNN=C1C CS-W005197 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.4 O=C1CCC=C1O CS-W019237 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|1,0,1]=3 33 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|1,0,1]=3 34 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,0,0,0,0,1|2,0,0]=3 35 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,0,0,0,0,1|2,0,0]=3 36 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,0,0,0,0,1|1,0,1]=3 37 B4R0.1 CC(=N)NO CS-W008635 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,1,0,0,0,1|1,0,1]=4 45 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,1,0,0,0,1|1,0,1]=4 46 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,1,0,0,0,1|2,0,0]=4 47 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,1,0,0,0,1|0,0,1]=3 48 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,2,0,0,0,0|0,0,0]=2 49 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,2,0,0,0,0|1,0,0]=3 51 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|1,0,0]=3 52 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.14 CC(C)(C)C(=O)OCI CS-0066217 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.13 COC(=O)C(C)(C)C#N CS-0028771 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.13 COC(=O)C(C)(C)CN CS-W018801 [0,2,0,0,0,0|0,0,2]=4 58 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [0,2,0,0,0,0|0,0,2]=4 59 B6R1.2 BrC1=CON=C1 CS-W018197 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.2 CC1=COC=N1 CS-0028372 [1,0,0,1,0,0|1,0,1]=4 61 B6R1.2 CC1=NON=C1 CS-0063186 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.4 CC1=CC=CC(=O)N1 CS-W011283 [0,0,0,1,0,1|1,0,1]=4 65 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,1,0,1|2,0,0]=4 66 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,0,0,1,0,1|2,0,0]=4 67 B8R1.5 CC1=CC=NNC1=O CS-W022223 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.5 CC1=NC=CNC1=O CS-W016627 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.39 COC(=O)C1(N)CC1 CS-W008219 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|1,0,1]=4