0 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [0,1,0,0,0,0|3,0,0]=4 4 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,1,0,0,0,0|1,1,1]=4 10 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [0,1,0,0,0,0|1,0,2]=4 11 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,0,0,0,1|2,0,1]=4 13 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,0,0,0,1|2,0,1]=4 14 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,0,0,0,1|1,0,0]=2 15 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,0,0,0,1|2,0,0]=3 16 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,0,0,0,0,1|2,0,1]=4 17 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,0,1]=4 18 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,0,1]=4 19 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,0,1]=4 20 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.28 CS(=O)(=O)c1ccccc1 CSC000685546 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.17 COCSc1ccccc1 CSC000000817 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,1,0,0,0,0|1,1,0]=4 56 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.32 CN(CCO)Cc1ccccn1 CSC011317074 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.32 CN(CCO)Cc1cccnc1 CSC011316762 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.32 CN(CCO)Cc1ccncc1 CSC000224485 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.49 CC(CO)Nc1ncc(cn1)Br CSC011938805 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.49 Cc1ccc(cc1)NC(=O)CO CSC000246325 [0,1,0,0,0,1|1,0,1]=4 66 B12R1.50 Cc1cccc(c1)NC(=O)CO CSC000749660 [0,1,0,0,0,1|1,0,1]=4 67 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.371 CC(CO)Nc1ncncc1Br CSC012461045 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.39 OCCS(=O)(=O)c1ccccc1 CSC011215558 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.3 CCN(CC#C)c1ccccc1 CSC000224038 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,2,0,0,0,0|0,0,0]=2 72 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.243 CCN(CC)c1ccccc1C CSC000021038 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,2,0,0,0,0|0,0,2]=4 78 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,2,0,0,0,0|0,0,0]=2 81 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,2,0,0,0,0|0,0,2]=4 87 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,2,0,0,0,0|0,0,2]=4 90 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,2,0,0,0,0|0,0,2]=4 91 B12R2.32 CCN1Cc2ccccc2C1 CSC016200629 [0,0,0,1,0,1|2,0,0]=4 92 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,1|1,0,0]=3 93 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,0,0,0,0,2|0,0,0]=2 94 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,0,0,0,0,2|2,0,0]=4 95 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,0,0,0,0,2|2,0,0]=4 96 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,0,0,0,0,2|2,0,0]=4 97 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,0,0,0,2|1,0,0]=3 98 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,0,0,0,2|1,0,1]=4 99 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,0,0,0,0,2|1,0,0]=3