0 B9R1.11 CCC(=O)C1=NC=CS1 CS-0152648 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.11 CCC(C)C1=NCCS1 CS-0152625 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.11 CCC(N)C1=NC=CS1 CS-0217694 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.11 CCC(N)C1=NC=CS1 CS-0693528 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.11 CNC(=O)C1=CC=CS1 CS-0127299 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.11 CNC(=O)C1=NNC=C1 CS-0199212 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.11 CNC(=O)C1CCCN1 CS-0777637 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-0260781 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.11 COC(=O)C1=CCCO1 CS-1057387 [0,0,0,0,0,0|2,1,0]=3 9 B9R1.11 COC(=O)C1=CCSC1 CS-0454791 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.11 COC(=O)C1=COC=N1 CS-W000502 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 COC(=O)C1=NCN=N1 CS-0336365 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.11 COC(=O)C1NCCS1 CS-0236265 [0,0,0,0,0,0|1,0,2]=3 13 B9R1.11 COC(=O)N1CCCC1 CS-0667547 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-0197089 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.11 NCC(=O)N1CCCC1 CS-0435631 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 O=C(CCl)C1=CC=CS1 CS-0239288 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.11 O=C(CO)N1CCCC1 CS-0208507 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.11 [NH3+]CC(=O)C1=CC=CS1 CS-0127472 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.7 CC(=O)C1=CCCC1 CS-0272100 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 CC(=O)C1NCCS1 CS-0043804 [1,0,0,0,0,0|0,0,2]=3 21 B8R1.7 CC(=O)C1NCCS1 CS-0466140 [1,0,0,0,0,0|0,0,2]=3 22 B8R1.7 CC(C)C1=NCCO1 CS-0321419 [1,0,0,0,0,0|1,1,1]=4 23 B8R1.7 NC(=O)C1=NN=CS1 CS-0577131 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.8 CCCC1=NCCO1 CS-0147317 [1,0,0,0,0,0|0,1,1]=3 25 B8R1.8 CCNC1=NC=CS1 CS-0152017 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.8 CCNC1=NN=CS1 CS-0561173 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.8 CCOC1=NC=CS1 CS-W013447 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.8 CCOC1=NCCC1 CS-0207567 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.11 CCCC(=O)C1=CC=CS1 CS-0188350 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.11 CCCC(=O)C1CCCC1 CS-0242345 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.11 CCOC(=O)C1=NC=NS1 CS-0341495 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.11 CCOC(=O)C1CCCN1 CS-0231999 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.11 CCOC(=O)C1CCCN1 CS-0248747 [0,1,0,0,0,0|1,0,2]=4 34 B10R1.11 CCOC(=O)[C@@H]1CCCN1 CS-W021177 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.11 O=C(CCCl)C1=CC=CS1 CS-0106071 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.11 O=C(CCCl)N1CCCC1 CS-0225508 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.14 CCC(=O)C1=CC=C(C)S1 CS-0213315 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 CS-0217523 [0,1,0,0,0,0|1,0,2]=4 39 B10R1.14 COC(=O)C1=NN=C(Br)S1 CS-0910129 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.23 CC(C)C(=O)C1=CC=CS1 CS-0234223 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.149 COC(=O)C1=C(N)CCC1 CS-0208640 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.3 CCCC(=O)C(=O)OC CS-0185771 [0,0,1,0,0,0|2,1,0]=4 43 B8R0.3 CCOC(=O)C(=O)NC CS-0036984 [0,0,1,0,0,0|2,1,0]=4 44 B8R0.6 CCCCNC(=O)CC CS-0465067 [0,0,1,0,0,0|3,0,0]=4 45 B8R0.6 CCC\C=C\C(=O)OC CS-0166790 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.6 COC(=O)CSCCN CS-0258526 [0,0,1,0,0,0|1,0,2]=4 47 B10R2.32 O=C1CCN2CCCC12 CS-0308494 [0,0,0,1,0,0|1,0,2]=4 48 B10R2.178 [C@H]12CCC(=O)[C@H](OC1)O2 CS-0511412 [0,0,0,1,0,0|1,1,1]=4 49 B8R1.38 COC(=O)C1CCN1 CS-W018690 [0,0,0,0,1,0|1,0,2]=4 50 B8R1.38 COC(=O)[C@@H]1CCN1 CS-0049286 [0,0,0,0,1,0|1,0,2]=4 51 B8R1.38 COC(=O)[C@H]1CCN1 CS-0049295 [0,0,0,0,1,0|1,0,2]=4 52 B8R1.38 O=C(CBr)C1CCC1 CS-0210596 [0,0,0,0,1,0|2,0,1]=4 53 B10R1.15 CCC(=O)C1=CC=CC=N1 CS-0186684 [0,0,0,0,0,1|1,0,2]=4 54 B10R1.15 CCC(=O)C1CCCNC1 CS-0283463 [0,0,0,0,0,1|1,0,2]=4 55 B10R1.15 CCC(=O)N1CCNCC1 CS-0124423 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.15 CCC(=O)N1CCNCC1 CS-0216967 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.15 CCC(=O)N1CCOCC1 CS-0517336 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.15 COC(=O)C1=CCOCC1 CS-0049135 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.15 COC(=O)C1=COCCC1 CS-0199632 [0,0,0,0,0,1|2,1,0]=4 60 B10R1.27 CCC(=O)CC1=CC=CS1 CS-0258507 [0,0,0,0,0,1|1,0,2]=4 61 B10R1.27 COC(=O)C=C1CCCC1 CS-0218025 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.27 COC(=O)\C=C1/CCCN1 CS-0699097 [0,0,0,0,0,1|2,0,1]=4 63 B10R1.27 NCC(=O)NC1=NC=CS1 CS-0253923 [0,0,0,0,0,1|1,0,2]=4 64 B10R1.27 NCC(=O)NC1=NC=CS1 CS-0259971 [0,0,0,0,0,1|1,0,2]=4 65 B10R1.27 O=C(CCl)NC1=NN=CS1 CS-0307958 [0,0,0,0,0,1|2,0,1]=4 66 B7R0.3 CCC(=O)NCCN CS-0697791 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.3 CCC(=O)NCCO CS-0449194 [1,0,1,0,0,0|0,1,1]=4 68 B7R0.3 CC\C=C\C(=O)OC CS-0161339 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.3 CC\C=C\C(=O)OC CS-0784965 [1,0,1,0,0,0|2,0,0]=4 70 B7R0.7 CCOC(=S)SCC CS-0238225 [1,0,1,0,0,0|2,0,0]=4 71 B7R0.10 CCC(=O)C(=O)OC CS-W013615 [1,0,1,0,0,0|1,1,0]=4 72 B7R0.10 CCC(=O)C(O)CC CS-W011231 [1,0,1,0,0,0|0,1,1]=4 73 B7R0.10 CCC(=O)N(C)CC CS-0535260 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.10 COC(=O)C(C)SC CS-0272270 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.10 C\C=C(/C)C(=O)OC CS-0257038 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.10 C\C=C(\C)C(=O)OC CS-0207690 [1,0,1,0,0,0|2,0,0]=4 77 B7R1.1 CCC1=NC=CS1 CS-0205022 [2,0,0,0,0,0|0,0,2]=4 78 B7R1.1 CCC1=NCCN1 CS-0206605 [2,0,0,0,0,0|1,0,0]=3 79 B7R1.1 CCC1=NCCO1 CS-W009554 [2,0,0,0,0,0|0,1,0]=3 80 B7R1.1 CNC1=NCCS1 CS-0250614 [2,0,0,0,0,0|1,0,0]=3 81 B7R1.1 CSC1=NCCN1 CS-0150090 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 CSC1=NCCS1 CS-W013388 [2,0,0,0,0,0|1,0,0]=3 83 B9R0.35 CCCC(=O)C(=O)OCC CS-W022665 [0,1,1,0,0,0|1,1,0]=4 84 B9R1.13 CC(=O)NC1=NCCS1 CS-0242535 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.73 CCCC(=O)C1CCC1 CS-0482832 [0,1,0,0,1,0|1,0,1]=4 86 B9R1.73 CCOC(=O)C1CCN1 CS-0434026 [0,1,0,0,1,0|0,0,2]=4 87 B11R1.16 CCOC(=O)C1=CNCCS1 CS-0161191 [0,1,0,0,0,1|0,0,1]=3 88 B11R1.16 CCOC(=O)C1CNCCS1 CS-0208747 [0,1,0,0,0,1|0,0,2]=4 89 B11R1.16 CCOC(=O)C1CSCCN1 CS-0005335 [0,1,0,0,0,1|0,0,2]=4 90 B11R1.16 CCOC(=O)C1SCCCS1 CS-0020890 [0,1,0,0,0,1|1,0,1]=4 91 B11R1.30 CCOC(=O)C=C1CCCC1 CS-0036885 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.35 CC(Cl)C(=O)NC1=NC=CS1 CS-0215700 [0,1,0,0,0,1|0,0,2]=4 93 B11R1.35 CC(Cl)C(=O)NC1=NCCS1 CS-0739519 [0,1,0,0,0,1|0,0,0]=2 94 B11R1.39 CCC(=O)NC1=NC(C)=CS1 CS-0256894 [0,1,0,0,0,1|0,0,2]=4 95 B11R1.199 CCOC(=O)C1=C(N)CCC1 CS-0151816 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.3 CC1CCCC(=O)C1=O CS-0206920 [0,0,1,1,0,0|1,1,0]=4 97 B7R1.22 CCC(=O)C1CC1 CS-0052572 [0,0,0,0,2,0|0,0,1]=3 98 B7R1.22 CNC(=O)C1CC1 CS-0106601 [0,0,0,0,2,0|1,0,1]=4 99 B9R1.6 CC(=O)C1=CNCCC1 CS-0287712 [1,0,0,0,0,1|1,0,1]=4