0 B18R2.2417296 C=C(C)C(=NNc1cccc2c1cccc2)C 4a_100000006939_100011216138 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.2417296 C=C(C)C(=NNc1nccc2c1cccc2)C 4a_100015186920_100011216138 [0,0,0,0,0,0|3,0,0]=3 2 B18R2.2417296 C=C(C)C(=NNc1ncnc2c1cccc2)C 4a_100000186065_100011216138 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.2417296 C=C(C)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100011216138 [0,0,0,0,0,0|2,0,0]=2 4 B18R2.2417296 C=C(C)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100000185857 [0,0,0,0,0,0|3,0,1]=4 5 B18R2.2417296 C=C(Cl)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100000039160 [0,0,0,0,0,0|3,0,1]=4 6 B18R2.2417296 C=C(F)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100000036797 [0,0,0,0,0,0|3,0,1]=4 7 B18R2.2417296 CC(=NNc1cccc2c1cccc2)C(C)O 4a_100000006939_100000212229 [0,0,0,0,0,0|3,0,1]=4 8 B18R2.2417296 CC(=NNc1nccc2c1cccc2)C(C)C 4a_100015186920_100000211110 [0,0,0,0,0,0|3,0,1]=4 9 B18R2.2417296 CC(=NNc1nccc2c1cccc2)C(C)O 4a_100015186920_100000212229 [0,0,0,0,0,0|2,0,1]=3 10 B18R2.2417296 CC(=NNc1nccc2c1cccc2)C(F)F 4a_100015186920_100000764096 [0,0,0,0,0,0|3,0,1]=4 11 B18R2.2417296 CC(=NNc1ncnc2c1cccc2)C(C)O 4a_100000186065_100000212229 [0,0,0,0,0,0|3,0,1]=4 12 B18R2.2417296 CC(=NNc1nncc2c1cccc2)C(C)C 4a_100000189579_100000211110 [0,0,0,0,0,0|2,0,1]=3 13 B18R2.2417296 CC(=NNc1nncc2c1cccc2)C(C)O 4a_100000189579_100000212229 [0,0,0,0,0,0|1,0,1]=2 14 B18R2.2417296 CC(=NNc1nncc2c1cccc2)C(F)F 4a_100000189579_100000764096 [0,0,0,0,0,0|2,0,1]=3 15 B18R2.2417296 CC(=O)C(=O)CSc1nncc2c1cccc2 62a_100011261029_100025712358 [0,0,0,0,0,0|4,0,0]=4 16 B18R2.2417296 C[C@@H](O)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100000717761 [0,0,0,0,0,0|2,0,2]=4 17 B18R2.2417296 C[C@H](NCc1nccc2c1cccc2)C(=O)O 269956a_100000743915_100000033776 [0,0,0,0,0,0|2,0,2]=4 18 B18R2.2417296 C[C@H](O)C(=O)NNc1nncc2c1cccc2 22a_100000189579_217856618621 [0,0,0,0,0,0|2,0,2]=4 19 B18R2.2417296 NC(=O)C(=O)NNc1nccc2c1cccc2 22a_100015186920_100011215815 [0,0,0,0,0,0|3,0,1]=4 20 B18R2.2417296 NC(=O)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100011215815 [0,0,0,0,0,0|2,0,1]=3 21 B18R2.2417296 O=C(NNc1nncc2c1cccc2)C(O)O 22a_100000189579_100000233687 [0,0,0,0,0,0|1,0,3]=4 22 B17R2.291558 C=C(C)C=NNc1nccc2c1cccc2 4a_100015186920_100000210575 [1,0,0,0,0,0|3,0,0]=4 23 B17R2.291558 C=C(C)C=NNc1nncc2c1cccc2 4a_100000189579_100000210575 [1,0,0,0,0,0|2,0,0]=3 24 B17R2.291558 CC(C)C=NNc1nncc2c1cccc2 4a_100000189579_100000210432 [1,0,0,0,0,0|2,0,1]=4 25 B17R2.353364 C#CC(=NNc1nccc2c1cccc2)C 4a_100015186920_100000690481 [1,0,0,0,0,0|2,0,1]=4 26 B17R2.353364 C#CC(=NNc1nncc2c1cccc2)C 4a_100000189579_100000690481 [1,0,0,0,0,0|1,0,1]=3 27 B17R2.353364 C=CC(=NNc1cccc2c1cccc2)C 4a_100000006939_200015361842 [1,0,0,0,0,0|3,0,0]=4 28 B17R2.353364 C=CC(=NNc1nccc2c1cccc2)C 4a_100015186920_200015361842 [1,0,0,0,0,0|2,0,0]=3 29 B17R2.353364 C=CC(=NNc1ncnc2c1cccc2)C 4a_100000186065_200015361842 [1,0,0,0,0,0|3,0,0]=4 30 B17R2.353364 C=CC(=NNc1nncc2c1cccc2)C 4a_100000189579_200015361842 [1,0,0,0,0,0|1,0,0]=2 31 B17R2.353364 C=CC(=O)NNc1nncc2c1cccc2 22a_100000189579_100000185746 [1,0,0,0,0,0|2,0,1]=4 32 B17R2.353364 CC(=NNc1cccc2c1cccc2)CO 4a_100000006939_100000211253 [1,0,0,0,0,0|2,0,1]=4 33 B17R2.353364 CC(=NNc1nccc2c1cccc2)CF 4a_100015186920_100000039719 [1,0,0,0,0,0|2,0,1]=4 34 B17R2.353364 CC(=NNc1nccc2c1cccc2)CO 4a_100015186920_100000211253 [1,0,0,0,0,0|1,0,1]=3 35 B17R2.353364 CC(=NNc1ncnc2c1cccc2)CO 4a_100000186065_100000211253 [1,0,0,0,0,0|2,0,1]=4 36 B17R2.353364 CC(=NNc1nncc2c1cccc2)CF 4a_100000189579_100000039719 [1,0,0,0,0,0|1,0,1]=3 37 B17R2.353364 CC(=NNc1nncc2c1cccc2)CO 4a_100000189579_100000211253 [1,0,0,0,0,0|0,0,1]=2 38 B17R2.353364 O=C(CO)NNc1nncc2c1cccc2 22a_100000189579_100000210174 [1,0,0,0,0,0|1,0,2]=4 39 B19R2.922500 C=C(C)C(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_100011216138 [0,1,0,0,0,0|2,0,0]=3 40 B19R2.922500 CC(=NNc1nnc(c2c1cccc2)Cl)C(C)C 4a_100000015230_100000211110 [0,1,0,0,0,0|2,0,1]=4 41 B19R2.922500 CC(=NNc1nnc(c2c1cccc2)Cl)C(C)O 4a_100000015230_100000212229 [0,1,0,0,0,0|1,0,1]=3 42 B19R2.922500 CC(=NNc1nnc(c2c1cccc2)Cl)C(F)F 4a_100000015230_100000764096 [0,1,0,0,0,0|2,0,1]=4 43 B19R2.922500 NC(=O)C(=O)NNc1nnc(c2c1cccc2)Cl 22a_100000015230_100011215815 [0,1,0,0,0,0|2,0,1]=4 44 B19R2.1033707 CC(=NNc1nccc2c1cccc2)C(C)(C)O 4a_100015186920_100000747739 [0,1,0,0,0,0|2,0,1]=4 45 B19R2.1033707 CC(=NNc1nncc2c1cccc2)C(C)(C)O 4a_100000189579_100000747739 [0,1,0,0,0,0|1,0,1]=3 46 B19R2.1033707 CC(=NNc1nncc2c1cccc2)C(F)(F)F 4a_100000189579_100000210305 [0,1,0,0,0,0|2,0,1]=4 47 B19R2.1115715 CCC(=NNc1nncc2c1cccc2)C(C)C 4a_100000189579_100000210600 [0,1,0,0,0,0|2,0,1]=4 48 B19R2.1727161 C/C=C(\C)/C(=NNc1nccc2c1cccc2)C 4a_100015186920_100020675665 [0,1,0,0,0,0|3,0,0]=4 49 B19R2.1727161 C/C=C(\C)/C(=NNc1nncc2c1cccc2)C 4a_100000189579_100020675665 [0,1,0,0,0,0|2,0,0]=3 50 B19R2.1727161 C=C(CO)C(=O)NNc1nncc2c1cccc2 22a_100000189579_200000705526 [0,1,0,0,0,0|2,0,1]=4 51 B19R2.1727161 C=C(CSc1nncc2c1cccc2)C(=O)OC 62a_100009813391_100025712358 [0,1,0,0,0,0|2,0,1]=4 52 B19R2.1727161 CC(=NNc1nccc2c1cccc2)C(C)CO 4a_100015186920_100000032740 [0,1,0,0,0,0|2,0,1]=4 53 B19R2.1727161 CC(=NNc1nncc2c1cccc2)C(C)C#N 4a_100000189579_100000741742 [0,1,0,0,0,0|2,0,1]=4 54 B19R2.1727161 CC(=NNc1nncc2c1cccc2)C(C)CO 4a_100000189579_100000032740 [0,1,0,0,0,0|1,0,1]=3 55 B19R2.1727161 CC(=NO)C(=NNc1cccc2c1cccc2)C 4a_100000006939_100000066335 [0,1,0,0,0,0|3,0,0]=4 56 B19R2.1727161 CC(=NO)C(=NNc1nccc2c1cccc2)C 4a_100015186920_100000066335 [0,1,0,0,0,0|2,0,0]=3 57 B19R2.1727161 CC(=NO)C(=NNc1ncnc2c1cccc2)C 4a_100000186065_100000066335 [0,1,0,0,0,0|3,0,0]=4 58 B19R2.1727161 CC(=NO)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100000066335 [0,1,0,0,0,0|1,0,0]=2 59 B19R2.1727161 CCC(C)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100000210599 [0,1,0,0,0,0|2,0,1]=4 60 B19R2.1727161 CNC(=O)C(=O)NNc1nncc2c1cccc2 22a_100000189579_100011218921 [0,1,0,0,0,0|2,0,1]=4 61 B19R2.1727161 COC(=O)C(=NNc1cccc2c1cccc2)C 4a_100000006939_100000211753 [0,1,0,0,0,0|2,0,0]=3 62 B19R2.1727161 COC(=O)C(=NNc1cccc2c1ccnc2)C 4a_100000716453_100000211753 [0,1,0,0,0,0|3,0,0]=4 63 B19R2.1727161 COC(=O)C(=NNc1cccc2c1nccc2)C 4a_100015200115_100000211753 [0,1,0,0,0,0|3,0,0]=4 64 B19R2.1727161 COC(=O)C(=NNc1ccnc2c1cccc2)C 4a_100020605206_100000211753 [0,1,0,0,0,0|3,0,0]=4 65 B19R2.1727161 COC(=O)C(=NNc1nccc2c1cccc2)C 4a_100015186920_100000211753 [0,1,0,0,0,0|1,0,0]=2 66 B19R2.1727161 COC(=O)C(=NNc1ncnc2c1cccc2)C 4a_100000186065_100000211753 [0,1,0,0,0,0|2,0,0]=3 67 B19R2.1727161 COC(=O)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100000211753 [0,1,0,0,0,0|0,0,0]=1 68 B19R2.1727161 COC(=O)C(=O)CSc1nncc2c1cccc2 62a_100011610305_100025712358 [0,1,0,0,0,0|3,0,0]=4 69 B19R2.1727161 COC(=O)C(C)CSc1nncc2c1cccc2 62a_100000698445_100025712358 [0,1,0,0,0,0|2,0,1]=4 70 B19R2.1727161 CSC(C)C(=NNc1nncc2c1cccc2)C 4a_100000189579_200011218923 [0,1,0,0,0,0|1,1,1]=4 71 B19R3.678495 CC(=NNc1nccc2c1cccc2)C3CO3 4a_100015186920_100000031964 [0,0,0,1,0,0|2,0,1]=4 72 B19R3.678495 CC(=NNc1nncc2c1cccc2)C3CC3 4a_100000189579_100000210639 [0,0,0,1,0,0|2,0,1]=4 73 B19R3.678495 CC(=NNc1nncc2c1cccc2)C3CO3 4a_100000189579_100000031964 [0,0,0,1,0,0|1,0,1]=3 74 B17R2.520754 CC(=O)C(C)Sc1nncc2c1cccc2 62a_100009814033_100025712358 [0,0,0,0,1,0|2,0,1]=4 75 B17R2.520754 CC(Sc1nncc2c1cccc2)C(=O)N 62a_100000702099_100025712358 [0,0,0,0,1,0|2,0,1]=4 76 B17R2.520754 C[C@@H](Nc1nccc2c1cccc2)C(=O)N 27a_100000119354_100011934041 [0,0,0,0,1,0|2,0,1]=4 77 B19R2.6063385 NC(=O)CC(=O)NNc1nncc2c1cccc2 22a_100000189579_100134613110 [0,0,0,0,0,1|2,0,1]=4 78 B19R2.6098775 CC(CNCc1nccc2c1cccc2)C(=O)O 269956a_100000749485_100000033776 [0,0,0,0,0,1|2,0,1]=4 79 B16R2.50359 CCC=NNc1nncc2c1cccc2 4a_100000189579_100000210100 [2,0,0,0,0,0|1,0,1]=4 80 B16R2.179941 C=C(C)CNc1nccc2c1cccc2 27a_100000765925_100011934041 [2,0,0,0,0,0|2,0,0]=4 81 B16R2.179941 C=C(C)CSc1nncc2c1cccc2 62a_100000748629_100025712358 [2,0,0,0,0,0|2,0,0]=4 82 B16R2.179941 CC(=O)NNc1nccc2c1cccc2 22a_100015186920_100000070787 [2,0,0,0,0,0|1,0,1]=4 83 B16R2.179941 CC(=O)NNc1nncc2c1cccc2 22a_100000189579_100000070787 [2,0,0,0,0,0|0,0,1]=3 84 B18R2.62417 C=C(C)C=NNc1nnc(c2c1cccc2)Cl 4a_100000015230_100000210575 [1,1,0,0,0,0|2,0,0]=4 85 B18R2.741502 C/C(=C/N)/C=NNc1nncc2c1cccc2 4a_100000189579_100050415766 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.741502 C/C=C(\C)/C=NNc1nncc2c1cccc2 4a_100000189579_100020587592 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.741502 COC(=O)C=NNc1cccc2c1cccc2 4a_100000006939_200011823558 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.741502 COC(=O)C=NNc1nccc2c1cccc2 4a_100015186920_200011823558 [1,1,0,0,0,0|1,0,0]=3 89 B18R2.741502 COC(=O)C=NNc1ncnc2c1cccc2 4a_100000186065_200011823558 [1,1,0,0,0,0|2,0,0]=4 90 B18R2.741502 COC(=O)C=NNc1nncc2c1cccc2 4a_100000189579_200011823558 [1,1,0,0,0,0|0,0,0]=2 91 B18R2.741502 OCC(O)C=NNc1nncc2c1cccc2 4a_100000189579_100000033539 [1,1,0,0,0,0|0,0,2]=4 92 B18R2.95331 C#CC(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_100000690481 [1,1,0,0,0,0|1,0,1]=4 93 B18R2.95331 C=CC(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_200015361842 [1,1,0,0,0,0|1,0,0]=3 94 B18R2.95331 CC(=NNc1nnc(c2c1cccc2)Cl)CF 4a_100000015230_100000039719 [1,1,0,0,0,0|1,0,1]=4 95 B18R2.95331 CC(=NNc1nnc(c2c1cccc2)Cl)CO 4a_100000015230_100000211253 [1,1,0,0,0,0|0,0,1]=3 96 B18R2.541305 C=CC(=NNc1nccc2c1cccc2)CC 4a_100015186920_100000747743 [1,1,0,0,0,0|2,0,0]=4 97 B18R2.541305 C=CC(=NNc1nncc2c1cccc2)CC 4a_100000189579_100000747743 [1,1,0,0,0,0|1,0,0]=3 98 B18R2.541305 CCC(=NNc1nccc2c1cccc2)CO 4a_100015186920_100000725409 [1,1,0,0,0,0|1,0,1]=4 99 B18R2.541305 CCC(=NNc1nncc2c1cccc2)CC 4a_100000189579_100000210860 [1,1,0,0,0,0|1,0,1]=4 100 B18R2.541305 CCC(=NNc1nncc2c1cccc2)CO 4a_100000189579_100000725409 [1,1,0,0,0,0|0,0,1]=3 101 B18R2.541305 FCC(=NNc1nncc2c1cccc2)CF 4a_100000189579_100000041867 [1,1,0,0,0,0|1,0,1]=4 102 B18R2.541305 OCC(=NNc1nccc2c1cccc2)CO 4a_100015186920_100000036256 [1,1,0,0,0,0|1,0,1]=4 103 B18R2.541305 OCC(=NNc1nncc2c1cccc2)CO 4a_100000189579_100000036256 [1,1,0,0,0,0|0,0,1]=3 104 B18R2.892603 CC(=NNc1nncc2c1cccc2)CC#N 4a_100000189579_100011229364 [1,1,0,0,0,0|1,0,1]=4 105 B18R2.892603 CC=CC(=NNc1nccc2c1cccc2)C 4a_100015186920_100011218416 [1,1,0,0,0,0|2,0,0]=4 106 B18R2.892603 CC=CC(=NNc1nncc2c1cccc2)C 4a_100000189579_100011218416 [1,1,0,0,0,0|1,0,0]=3 107 B18R2.892603 CCCC(=NNc1nncc2c1cccc2)C 4a_100000189579_100000211909 [1,1,0,0,0,0|1,0,1]=4 108 B18R2.892603 COCC(=NNc1nccc2c1cccc2)C 4a_100015186920_100000749346 [1,1,0,0,0,0|1,0,1]=4 109 B18R2.892603 COCC(=NNc1nncc2c1cccc2)C 4a_100000189579_100000749346 [1,1,0,0,0,0|0,0,1]=3 110 B18R2.892603 CSCC(=NNc1nncc2c1cccc2)C 4a_100000189579_100011216314 [1,1,0,0,0,0|0,1,1]=4 111 B18R2.62416 Cc1nnc(c2c1cccc2)N[C@H](C)C(=O)N 27a_100000119354_100000189618 [0,1,0,0,1,0|1,0,1]=4 112 B20R2.982690 COC(=O)CC(=NNc1cccc2c1cccc2)C 4a_100000006939_100000210079 [0,1,0,0,0,1|2,0,0]=4 113 B20R2.982690 COC(=O)CC(=NNc1nccc2c1cccc2)C 4a_100015186920_100000210079 [0,1,0,0,0,1|1,0,0]=3 114 B20R2.982690 COC(=O)CC(=NNc1ncnc2c1cccc2)C 4a_100000186065_100000210079 [0,1,0,0,0,1|2,0,0]=4 115 B20R2.982690 COC(=O)CC(=NNc1nncc2c1cccc2)C 4a_100000189579_100000210079 [0,1,0,0,0,1|0,0,0]=2 116 B20R2.982690 COC(=O)CC(=O)NNc1nncc2c1cccc2 22a_100000189579_100000211351 [0,1,0,0,0,1|1,0,1]=4 117 B20R2.2113151 COC(=O)C(=NNCc1cccc2c1cccc2)C 4a_100025742020_100000211753 [0,1,0,0,0,1|2,0,0]=4 118 B20R2.327871 C/C=C(\C)/C(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_100020675665 [0,2,0,0,0,0|2,0,0]=4 119 B20R2.327871 CC(=NNc1nnc(c2c1cccc2)Cl)C(C)CO 4a_100000015230_100000032740 [0,2,0,0,0,0|1,0,1]=4 120 B20R2.327871 CC(=NO)C(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_100000066335 [0,2,0,0,0,0|1,0,0]=3 121 B20R2.327871 COC(=O)C(=NNc1nnc(c2c1cccc2)Cl)C 4a_100000015230_100000211753 [0,2,0,0,0,0|0,0,0]=2 122 B20R2.578816 CC(=NNc1nnc(c2c1cccc2)Cl)C(C)(C)O 4a_100000015230_100000747739 [0,2,0,0,0,0|1,0,1]=4 123 B20R2.4447857 CCC(=NNc1cccc2c1cccc2)C(=O)OC 4a_100000006939_100000688641 [0,2,0,0,0,0|2,0,0]=4 124 B20R2.4447857 CCC(=NNc1nccc2c1cccc2)C(=NO)C 4a_100015186920_200015314630 [0,2,0,0,0,0|2,0,0]=4 125 B20R2.4447857 CCC(=NNc1nccc2c1cccc2)C(=O)OC 4a_100015186920_100000688641 [0,2,0,0,0,0|1,0,0]=3 126 B20R2.4447857 CCC(=NNc1ncnc2c1cccc2)C(=O)OC 4a_100000186065_100000688641 [0,2,0,0,0,0|2,0,0]=4 127 B20R2.4447857 CCC(=NNc1nncc2c1cccc2)C(=NO)C 4a_100000189579_200015314630 [0,2,0,0,0,0|1,0,0]=3 128 B20R2.4447857 CCC(=NNc1nncc2c1cccc2)C(=O)OC 4a_100000189579_100000688641 [0,2,0,0,0,0|0,0,0]=2 129 B20R2.4447857 CCC(=NNc1nncc2c1cccc2)C(O)CC 4a_100000189579_200011218131 [0,2,0,0,0,0|1,0,1]=4 130 B20R2.4447857 OCC(=NNc1nncc2c1cccc2)[C@@H](O)CO 4a_100000189579_100015925426 [0,2,0,0,0,0|0,0,2]=4 131 B20R2.5467068 CCOC(=O)C(=NNc1cccc2c1cccc2)C 4a_100000006939_100000209952 [0,2,0,0,0,0|2,0,0]=4 132 B20R2.5467068 CCOC(=O)C(=NNc1nccc2c1cccc2)C 4a_100015186920_100000209952 [0,2,0,0,0,0|1,0,0]=3 133 B20R2.5467068 CCOC(=O)C(=NNc1ncnc2c1cccc2)C 4a_100000186065_100000209952 [0,2,0,0,0,0|2,0,0]=4 134 B20R2.5467068 CCOC(=O)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100000209952 [0,2,0,0,0,0|0,0,0]=2 135 B20R2.12005357 COC(OC)C(=NNc1nncc2c1cccc2)C 4a_100000189579_100000211384 [0,2,0,0,0,0|0,0,2]=4 136 B18R3.14455 c1ccc2c(nccc2c1)NN=C3COC3 4a_100015186920_100000058695 [1,0,0,1,0,0|1,0,1]=4 137 B18R3.14455 c1ccc2c(nncc2c1)NN=C3CCC3 4a_100000189579_100000241760 [1,0,0,1,0,0|1,0,1]=4 138 B18R3.14455 c1ccc2c(nncc2c1)NN=C3COC3 4a_100000189579_100000058695 [1,0,0,1,0,0|0,0,1]=3 139 B18R3.14455 c1ccc2c(nncc2c1)NN=C3CSC3 4a_100000189579_100000073008 [1,0,0,1,0,0|0,1,1]=4 140 B20R3.5155 CC1=CC(=NNc2nccc3c2cccc3)CO1 4a_100015186920_200009860027 [0,0,0,1,0,1|2,0,0]=4 141 B20R3.5155 CC1=CC(=NNc2nncc3c2cccc3)CC1 4a_100000189579_100000210602 [0,0,0,1,0,1|2,0,0]=4 142 B20R3.5155 CC1=CC(=NNc2nncc3c2cccc3)CO1 4a_100000189579_200009860027 [0,0,0,1,0,1|1,0,0]=3 143 B20R3.5155 O=C1C=C(CO1)CSc2nncc3c2cccc3 62a_100000716558_100025712358 [0,0,0,1,0,1|2,0,0]=4 144 B20R3.5155 O=C1CC(=NNc2cccc3c2cccc3)CO1 4a_100000006939_100000211896 [0,0,0,1,0,1|2,0,0]=4 145 B20R3.5155 O=C1CC(=NNc2nccc3c2cccc3)CO1 4a_100015186920_100000211896 [0,0,0,1,0,1|1,0,0]=3 146 B20R3.5155 O=C1CC(=NNc2ncnc3c2cccc3)CO1 4a_100000186065_100000211896 [0,0,0,1,0,1|2,0,0]=4 147 B20R3.5155 O=C1CC(=NNc2nncc3c2cccc3)CO1 4a_100000189579_100000211896 [0,0,0,1,0,1|0,0,0]=2 148 B20R3.5155 OC1CCC(=NNc2nncc3c2cccc3)C1 4a_100000189579_100012614533 [0,0,0,1,0,1|1,0,1]=4 149 B20R3.5359 CC1=CC(OC1=O)Sc2nncc3c2cccc3 62a_200009893386_100025712358 [0,0,0,1,0,1|2,0,0]=4 150 B20R3.4657698 CC(=NNc1nnc(c2c1cccc2)Cl)C3CO3 4a_100000015230_100000031964 [0,1,0,1,0,0|1,0,1]=4 151 B20R3.418 BrC1=CCCC1=NNc2nncc3c2cccc3 4a_100000189579_100000748913 [0,1,0,1,0,0|2,0,0]=4 152 B20R3.418 CC1=CCCC1=NNc2nncc3c2cccc3 4a_100000189579_100000748914 [0,1,0,1,0,0|2,0,0]=4 153 B20R3.418 CC1OCCC1=NNc2nncc3c2cccc3 4a_100000189579_100000691750 [0,1,0,1,0,0|1,0,1]=4 154 B20R3.418 OC1=CCCC1=NNc2nccc3c2cccc3 4a_100015186920_100009841096 [0,1,0,1,0,0|2,0,0]=4 155 B20R3.418 OC1=CCCC1=NNc2nncc3c2cccc3 4a_100000189579_100009841096 [0,1,0,1,0,0|1,0,0]=3 156 B20R3.418 OC1CCCC1=NNc2nncc3c2cccc3 4a_100000189579_200000719330 [0,1,0,1,0,0|1,0,1]=4 157 B18R2.556536 CC(=CC=NNc1nncc2c1cccc2)C 4a_100000189579_100011215525 [1,0,0,0,0,1|2,0,0]=4 158 B20R2.10963774 CC(=O)OCC(=NNc1nccc2c1cccc2)C 4a_100015186920_100000000629 [0,0,0,0,0,2|2,0,0]=4 159 B20R2.10963774 CC(=O)OCC(=NNc1nncc2c1cccc2)C 4a_100000189579_100000000629 [0,0,0,0,0,2|1,0,0]=3