0 B9R1.11 C/C=C(\C)/c1c[nH]cn1 AIFCHEM-94584216113 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.11 C/C=C(\C)/c1ccns1 AIFCHEM-94584219593 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.11 C/C=C(\C)/c1cscn1 AIFCHEM-94584217508 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.11 C/C=C(\C)/c1ncco1 AIFCHEM-94584211505 [0,0,0,0,0,0|0,1,2]=3 5 B9R1.11 C/C=C(\C)/c1nccs1 AIFCHEM-94584217073 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.8 CC=Cc1ncc[nH]1 AIFCHEM-6407688555 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.8 CCNc1cscn1 AIFCHEM-94537423279 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CCNc1nnco1 AIFCHEM-94537420944 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.11 CCNC(C)c1nccs1 AIFCHEM-94559945291 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.11 CCN[C@H](C)c1ccco1 AIFCHEM-94537422471 [0,1,0,0,0,0|1,1,0]=3 11 B10R1.14 C/C=C(\C)/c1nc(ns1)C AIFCHEM-94584219636 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.149 C/C=C(\C)/c1nccn1C AIFCHEM-94584214074 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,1|1,0,2]=4 14 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,1|1,0,2]=4 15 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,1|1,0,2]=4 16 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.27 CCC(=O)Nc1ncco1 AIFCHEM-94526507592 [0,0,0,0,0,1|1,1,1]=4 18 B10R1.27 CCN(C)Cc1ccco1 AIFCHEM-94537421946 [0,0,0,0,0,1|2,1,0]=4 19 B10R1.27 CCN(C)Cc1cscn1 AIFCHEM-94563258129 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.27 O=C(CO)Nc1nccs1 AIFCHEM-94524297920 [0,0,0,0,0,1|2,0,1]=4 21 B9R1.7 CC=Cc1nc(cs1)C AIFCHEM-6293789631 [1,1,0,0,0,0|0,0,2]=4 22 B9R1.7 CCNc1nc(cs1)Br AIFCHEM-94537422116 [1,1,0,0,0,0|1,0,0]=3 23 B9R1.7 CCNc1nnc(s1)Br AIFCHEM-94537420919 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.12 CCCNc1cncs1 AIFCHEM-94535760097 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.12 CCCNc1cscn1 AIFCHEM-94557114815 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [1,1,0,0,0,0|1,1,0]=4 27 B9R1.12 CCNCc1cocn1 AIFCHEM-94553456429 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.12 OCC=Cc1nccs1 AIFCHEM-6314170789 [1,1,0,0,0,0|0,0,2]=4 29 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,1|1,0,0]=3 30 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,1|1,0,0]=3 31 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,1|1,0,0]=3 32 B11R1.23 CCN(C)c1cncc(c1)C AIFCHEM-94537416284 [0,1,0,0,0,1|2,0,0]=4 33 B11R1.222 CCN(C)c1cnccc1C AIFCHEM-94537425388 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.30 CCCN(C)Cc1ncco1 AIFCHEM-5878772510 [0,1,0,0,0,1|1,1,0]=4 35 B11R1.30 CN(CCO)Cc1cccs1 AIFCHEM-6388930207 [0,1,0,0,0,1|2,0,0]=4 36 B11R1.35 CC(C)N(C)Cc1ncco1 AIFCHEM-94547940363 [0,1,0,0,0,1|1,1,0]=4 37 B11R1.39 CCC(=O)Nc1nc(cs1)C AIFCHEM-94526508975 [0,1,0,0,0,1|1,0,1]=4 38 B11R1.39 CCC(=O)Nc1nc(cs1)Cl AIFCHEM-94526508037 [0,1,0,0,0,1|1,0,1]=4 39 B11R1.39 CCC(=O)Nc1ncc(s1)F AIFCHEM-94556986659 [0,1,0,0,0,1|1,0,1]=4 40 B11R1.39 CCN(C)Cc1cc(cs1)O AIFCHEM-94571800581 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.39 CCN(C)Cc1ccc(s1)C AIFCHEM-94563256011 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.39 CCN(C)Cc1nc(cs1)C AIFCHEM-6099406476 [0,1,0,0,0,1|1,0,0]=3 43 B11R1.39 CCN(C)Cc1ncc(s1)Br AIFCHEM-94563261218 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.39 CCN(C)Cc1ncc(s1)Cl AIFCHEM-94563259528 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.228 CCN(C)Cc1sccc1Cl AIFCHEM-6119870541 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.15 CCNC(C)c1ccc(s1)Cl AIFCHEM-94536460975 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.15 CCN[C@@H](C)c1ccc(s1)Cl AIFCHEM-94537415457 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.15 CCN[C@H](C)c1ccc(s1)Cl AIFCHEM-94570618853 [0,2,0,0,0,0|1,0,0]=3 49 B11R1.29 CC(NCCO)c1ncco1 AIFCHEM-6463357405 [0,2,0,0,0,0|0,1,0]=3 50 B11R1.29 CC(NCCO)c1nccs1 AIFCHEM-94577777792 [0,2,0,0,0,0|0,0,0]=2 51 B11R1.29 CCCNC(=O)c1nccs1 AIFCHEM-94521374375 [0,2,0,0,0,0|1,0,1]=4 52 B11R1.29 CCCNC(C)c1ncco1 AIFCHEM-94521371312 [0,2,0,0,0,0|0,1,0]=3 53 B11R1.44 C/C=C(\C)/c1nc(cs1)CO AIFCHEM-94584219257 [0,2,0,0,0,0|0,0,2]=4 54 B11R1.44 C/C=C(\C)/c1ncc(s1)C=O AIFCHEM-94584218784 [0,2,0,0,0,0|0,0,2]=4 55 B11R1.44 C/C=C(\C)/c1ncc(s1)CN AIFCHEM-94570084366 [0,2,0,0,0,0|0,0,2]=4 56 B11R1.44 C/C=C(\C)/c1ncc(s1)CO AIFCHEM-94584221056 [0,2,0,0,0,0|0,0,2]=4 57 B11R1.226 C/C=C(\C)/c1nc(c(s1)C)C AIFCHEM-94584217015 [0,2,0,0,0,0|0,0,2]=4 58 B11R2.237 C(=C1CCC1)c2nccs2 AIFCHEM-6313239043 [0,0,0,1,0,1|0,0,1]=3 59 B11R2.237 C(=C1CCC1)c2nncs2 AIFCHEM-6376075741 [0,0,0,1,0,1|1,0,1]=4 60 B11R2.237 c1csc(c1)CN2CCC2 AIFCHEM-6042461841 [0,0,0,1,0,1|2,0,0]=4 61 B11R2.2 C1=C(CCC1)c2ncco2 AIFCHEM-6486103500 [0,1,0,1,0,0|0,1,1]=4 62 B9R1.8 CCNc1ccccn1 AIFCHEM-94537422158 [1,0,0,0,0,1|2,0,0]=4 63 B9R1.8 CCNc1cnccn1 AIFCHEM-94537422176 [1,0,0,0,0,1|2,0,0]=4 64 B9R1.8 CCNc1nccnn1 AIFCHEM-94537412256 [1,0,0,0,0,1|2,0,0]=4 65 B11R1.40 CCN(C)Cc1cccnc1 AIFCHEM-94537417880 [0,0,0,0,0,2|2,0,0]=4 66 B11R1.25 CC(CO)NCc1cccs1 AIFCHEM-94562635155 [0,0,0,0,0,2|2,0,0]=4 67 B11R1.25 CC(CO)NCc1ncco1 AIFCHEM-5896911606 [0,0,0,0,0,2|1,1,0]=4 68 B11R1.25 CCC(C)CNc1cncs1 AIFCHEM-94535765857 [0,0,0,0,0,2|2,0,0]=4 69 B11R1.25 C[C@@H](CF)NCc1nccs1 AIFCHEM-6011483820 [0,0,0,0,0,2|1,0,0]=3 70 B11R1.25 C[C@@H](CO)NCc1cccs1 AIFCHEM-6432870219 [0,0,0,0,0,2|2,0,0]=4 71 B11R1.25 C[C@@H](CO)NCc1ncco1 AIFCHEM-6463448831 [0,0,0,0,0,2|1,1,0]=4 72 B11R1.25 C[C@H](CF)NCc1nccs1 AIFCHEM-6089164822 [0,0,0,0,0,2|1,0,0]=3 73 B11R1.25 C[C@H](CO)NCc1cccs1 AIFCHEM-6395146224 [0,0,0,0,0,2|2,0,0]=4 74 B11R1.25 C[C@H](CO)NCc1ncco1 AIFCHEM-6477090630 [0,0,0,0,0,2|1,1,0]=4 75 B11R1.25 OCC(O)CNc1nccs1 AIFCHEM-94524287569 [0,0,0,0,0,2|2,0,0]=4 76 B11R1.25 OC[C@@H](O)CNc1nccs1 AIFCHEM-94590868519 [0,0,0,0,0,2|2,0,0]=4