0 B21R2.14189985 CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100138425928_200000395870 [0,0,0,0,0,0|2,0,1]=3 1 B21R2.14189985 CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100138425928_200000395870 [0,0,0,0,0,0|2,0,1]=3 2 B21R2.14189985 CC(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000212225_200000395870 [0,0,0,0,0,0|2,0,1]=3 3 B21R2.14189985 CC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210206_200000395870 [0,0,0,0,0,0|2,0,1]=3 4 B20R2.2671397 CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100015525214_200000395870 [1,0,0,0,0,0|1,0,1]=3 5 B20R2.2671397 CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100121572206_200000395870 [1,0,0,0,0,0|1,0,1]=3 6 B20R2.2671397 CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210202_200000395870 [1,0,0,0,0,0|1,0,1]=3 7 B20R2.2671397 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCF 62a_100015361967_200000395870 [1,0,0,0,0,0|2,0,1]=4 8 B22R2.8355619 C#CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000707721_200000395870 [0,1,0,0,0,0|2,0,1]=4 9 B22R2.8355619 C#CC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000707721_200000395870 [0,1,0,0,0,0|2,0,1]=4 10 B22R2.8355619 C#CC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_200000035995_200000395870 [0,1,0,0,0,0|2,0,1]=4 11 B22R2.8355619 C#C[C@@H](C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100009815206_200000395870 [0,1,0,0,0,0|2,0,1]=4 12 B22R2.8355619 C#C[C@@H](C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100009815206_200000395870 [0,1,0,0,0,0|2,0,1]=4 13 B22R2.8355619 C=CC(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000695699_200000395870 [0,1,0,0,0,0|2,0,1]=4 14 B22R2.8355619 C=CC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100011215867_200000395870 [0,1,0,0,0,0|2,0,1]=4 15 B22R2.8355619 CC(C#N)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000737613_200000395870 [0,1,0,0,0,0|2,0,1]=4 16 B22R2.8355619 CC(C#N)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100011218135_200000395870 [0,1,0,0,0,0|2,0,1]=4 17 B22R2.8355619 CC(C#N)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000703298_200000395870 [0,1,0,0,0,0|2,0,1]=4 18 B22R2.8355619 CC(CF)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100016041109_200000395870 [0,1,0,0,0,0|2,0,1]=4 19 B22R2.8355619 CC(CF)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100016041109_200000395870 [0,1,0,0,0,0|2,0,1]=4 20 B22R2.8355619 CC(CN)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210904_200000395870 [0,1,0,0,0,0|2,0,1]=4 21 B22R2.8355619 CC(CO)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100012180447_200000395870 [0,1,0,0,0,0|1,0,2]=4 22 B22R2.8355619 CCC(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000209981_200000395870 [0,1,0,0,0,0|2,0,1]=4 23 B22R2.8355619 CCC(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100000210228_200000395870 [0,1,0,0,0,0|2,0,1]=4 24 B22R2.8355619 CCC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000758301_200000395870 [0,1,0,0,0,0|2,0,1]=4 25 B22R2.8355619 CNC(C)CCCCn1c(=O)c2c(ncn2C)n(c1=O)C 270004a_106832991635_100020615131 [0,1,0,0,0,0|1,0,1]=3 26 B22R2.8355619 COC(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009879195_200000395870 [0,1,0,0,0,0|1,0,2]=4 27 B22R2.8355619 C[C@H](CO)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000737577_200000395870 [0,1,0,0,0,0|1,0,2]=4 28 B22R2.8355619 C[C@H](CO)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100016084084_200000395870 [0,1,0,0,0,0|1,0,2]=4 29 B22R2.23904717 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC(C)(C)C 2230a_100000715429_200000395870 [0,1,0,0,0,0|2,0,1]=4 30 B22R2.23904717 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC(C)(C)C 34a_100015890283_200000395870 [0,1,0,0,0,0|2,0,1]=4 31 B22R2.23904717 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC(C)(C)C 7a_100015890283_200000395870 [0,1,0,0,0,0|2,0,1]=4 32 B22R2.23904717 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC(C)(C)C 62a_100000211941_200000395870 [0,1,0,0,0,0|2,0,1]=4 33 B22R2.23904731 C=C(C)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000185857_200000395870 [0,1,0,0,0,0|1,0,1]=3 34 B22R2.23904731 CC(C)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210198_200000395870 [0,1,0,0,0,0|1,0,2]=4 35 B22R2.23904731 CC(C)N(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_200000211004_200000395870 [0,1,0,0,0,0|2,0,1]=4 36 B22R2.23904731 CC(F)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000062450_200000395870 [0,1,0,0,0,0|1,0,2]=4 37 B22R2.23904731 C[C@@H](O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000717761_200000395870 [0,1,0,0,0,0|0,0,3]=4 38 B22R2.23904731 C[C@H](O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_217856618621_200000395870 [0,1,0,0,0,0|0,0,3]=4 39 B22R3.51367257 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC3CC3 34a_100000212008_200000395870 [0,0,0,1,0,0|2,0,1]=4 40 B20R2.8295545 CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000070787_200000395870 [0,0,0,0,1,0|0,0,0]=1 41 B20R2.8295545 CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100102631434_200000395870 [0,0,0,0,1,0|2,0,0]=3 42 B20R2.8295545 CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100102631434_200000395870 [0,0,0,0,1,0|2,0,0]=3 43 B22R2.23904716 C=C(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210245_200000395870 [0,0,0,0,0,1|1,0,0]=2 44 B22R2.23904716 C=C(C)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000748629_200000395870 [0,0,0,0,0,1|1,0,0]=2 45 B22R2.23904716 C=C(F)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_200010262243_200000395870 [0,0,0,0,0,1|1,0,1]=3 46 B22R2.23904716 C=C(F)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000042424_200000395870 [0,0,0,0,0,1|1,0,1]=3 47 B22R2.23904716 CC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000211253_200000395870 [0,0,0,0,0,1|0,0,0]=1 48 B22R2.23904716 CC(Br)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100012180447_200000395870 [0,0,0,0,0,1|1,0,1]=3 49 B22R2.23904716 CC(C)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000210953_200000395870 [0,0,0,0,0,1|1,0,1]=3 50 B22R2.23904716 CC(C)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210953_200000395870 [0,0,0,0,0,1|1,0,1]=3 51 B22R2.23904716 CC(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210257_200000395870 [0,0,0,0,0,1|1,0,1]=3 52 B22R2.23904716 CC(C)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210624_200000395870 [0,0,0,0,0,1|1,0,1]=3 53 B22R2.23904716 CC(F)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100015925927_200000395870 [0,0,0,0,0,1|1,0,1]=3 54 B22R2.23904716 CC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000210904_200000395870 [0,0,0,0,0,1|0,0,2]=3 55 B22R2.23904716 CC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210904_200000395870 [0,0,0,0,0,1|0,0,2]=3 56 B22R2.23904716 CC(O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100011218427_200000395870 [0,0,0,0,0,1|0,0,2]=3 57 B22R2.23904716 C[C@@H](Cl)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100016084084_200000395870 [0,0,0,0,0,1|1,0,1]=3 58 B22R2.23904716 C[C@@H](N)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000737577_200000395870 [0,0,0,0,0,1|1,0,1]=3 59 B22R2.23904716 C[C@@H](O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009817552_200000395870 [0,0,0,0,0,1|0,0,2]=3 60 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)N 2230a_100000711301_200000395870 [0,0,0,0,0,1|1,0,0]=2 61 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(=O)O 269956a_100016091260_200000395870 [0,0,0,0,0,1|1,0,0]=2 62 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(F)F 34a_100000765723_200000395870 [0,0,0,0,0,1|2,0,1]=4 63 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(F)F 34a_100000743014_200000395870 [0,0,0,0,0,1|2,0,1]=4 64 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(=O)N 62a_100000747473_200000395870 [0,0,0,0,0,1|1,0,0]=2 65 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(=O)[O-] 62a_100020667443_200000395870 [0,0,0,0,0,1|1,0,0]=2 66 B22R2.23904716 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(F)F 62a_100011934356_200000395870 [0,0,0,0,0,1|2,0,1]=4 67 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_106832991635_200000395870 [2,0,0,0,0,0|1,0,0]=3 68 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100102657272_200000395870 [2,0,0,0,0,0|1,0,0]=3 69 B19R2.238081 CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_106832991635_200000395870 [2,0,0,0,0,0|1,0,0]=3 70 B19R2.238081 COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100138415774_200000395870 [2,0,0,0,0,0|1,0,0]=3 71 B19R2.238081 CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_200000210301_200000395870 [2,0,0,0,0,0|1,0,0]=3 72 B19R2.238081 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCS[13CH3] 62a_200025704644_200000395870 [2,0,0,0,0,0|1,0,0]=3 73 B21R2.1129572 C=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000185746_200000395870 [1,1,0,0,0,0|0,0,2]=4 74 B21R2.1129572 CCC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210414_200000395870 [1,1,0,0,0,0|0,0,2]=4 75 B21R2.1129572 CCN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000225621_200000395870 [1,1,0,0,0,0|1,0,1]=4 76 B21R2.1129572 CCN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000225621_200000395870 [1,1,0,0,0,0|1,0,1]=4 77 B21R2.2598734 C#CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000212058_200000395870 [1,1,0,0,0,0|0,0,2]=4 78 B21R2.2598734 C#CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210247_200000395870 [1,1,0,0,0,0|0,0,2]=4 79 B21R2.2598734 C#CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000038162_200000395870 [1,1,0,0,0,0|0,0,2]=4 80 B21R2.2598734 C=CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100020586998_200000395870 [1,1,0,0,0,0|0,0,1]=3 81 B21R2.2598734 C=CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_200000210373_200000395870 [1,1,0,0,0,0|0,0,1]=3 82 B21R2.2598734 C=CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210623_200000395870 [1,1,0,0,0,0|0,0,1]=3 83 B21R2.2598734 CCCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210258_200000395870 [1,1,0,0,0,0|0,0,1]=3 84 B21R2.2598734 CCCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210303_200000395870 [1,1,0,0,0,0|0,0,1]=3 85 B21R2.2598734 COCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000766300_200000395870 [1,1,0,0,0,0|1,0,0]=3 86 B21R2.2598734 CSCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100011218213_200000395870 [1,1,0,0,0,0|1,0,0]=3 87 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCF 34a_100000724931_200000395870 [1,1,0,0,0,0|1,0,1]=4 88 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCO 2230a_100016997473_200000395870 [1,1,0,0,0,0|0,0,2]=4 89 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCCO 34a_100016990907_200000395870 [1,1,0,0,0,0|0,0,2]=4 90 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCBr 34a_100000211926_200000395870 [1,1,0,0,0,0|1,0,1]=4 91 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCN 34a_100000210304_200000395870 [1,1,0,0,0,0|1,0,1]=4 92 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC#N 62a_100011215382_200000395870 [1,1,0,0,0,0|1,0,1]=4 93 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC=O 62a_200015260668_200000395870 [1,1,0,0,0,0|0,0,0]=2 94 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCCF 62a_100011217306_200000395870 [1,1,0,0,0,0|1,0,1]=4 95 B21R2.2598734 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCCO 62a_100000211926_200000395870 [1,1,0,0,0,0|0,0,2]=4 96 B23R2.12044479 C=CC(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100011215527_200000395870 [0,1,0,0,0,1|1,0,1]=4 97 B23R2.12044479 C=CC(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100011215527_200000395870 [0,1,0,0,0,1|1,0,1]=4 98 B23R2.12044479 CC(CN)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000744482_200000395870 [0,1,0,0,0,1|1,0,1]=4 99 B23R2.12044479 CC(CO)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000744482_200000395870 [0,1,0,0,0,1|0,0,2]=4 100 B23R2.12044479 CCC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000725409_200000395870 [0,1,0,0,0,1|0,0,0]=2 101 B23R2.12044479 CCC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000747405_200000395870 [0,1,0,0,0,1|0,0,0]=2 102 B23R2.12044479 CCC(C)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100020588543_200000395870 [0,1,0,0,0,1|1,0,1]=4 103 B23R2.12044479 CCC(C)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000748023_200000395870 [0,1,0,0,0,1|1,0,1]=4 104 B23R2.12044479 CCC(O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100011218483_200000395870 [0,1,0,0,0,1|0,0,2]=4 105 B23R2.12044479 CCC(O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100011218378_200000395870 [0,1,0,0,0,1|0,0,2]=4 106 B23R2.12044479 CC[C@H](C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100009816381_200000395870 [0,1,0,0,0,1|1,0,1]=4 107 B23R2.12044479 CC[C@H](C)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009816398_200000395870 [0,1,0,0,0,1|1,0,1]=4 108 B23R2.12044479 CNC(=O)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000693194_200000395870 [0,1,0,0,0,1|0,0,0]=2 109 B23R2.12044479 CNC(=O)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000750040_200000395870 [0,1,0,0,0,1|0,0,0]=2 110 B23R2.12044479 CNC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000183359_200000395870 [0,1,0,0,0,1|0,0,0]=2 111 B23R2.12044479 COC(=O)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000747449_200000395870 [0,1,0,0,0,1|0,0,0]=2 112 B23R2.12044479 COC(C)COCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000690652_200000395870 [0,1,0,0,0,1|0,0,2]=4 113 B23R2.12044479 CO[C@H](C)CNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100020591295_200000395870 [0,1,0,0,0,1|0,0,2]=4 114 B23R2.12044479 C[C@@H](CO)CSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000059175_200000395870 [0,1,0,0,0,1|0,0,2]=4 115 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC[C@@H](F)CO 34a_100015665980_200000395870 [0,1,0,0,0,1|1,0,1]=4 116 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNC[C@H](O)CO 2230a_100020644852_200000395870 [0,1,0,0,0,1|0,0,2]=4 117 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(Cl)CCl 34a_100000033668_200000395870 [0,1,0,0,0,1|1,0,1]=4 118 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC[C@H](F)CN 34a_100015665980_200000395870 [0,1,0,0,0,1|1,0,1]=4 119 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(O)CO 62a_100011219619_200000395870 [0,1,0,0,0,1|0,0,2]=4 120 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC[C@@H](O)CF 62a_100015614560_200000395870 [0,1,0,0,0,1|0,0,2]=4 121 B23R2.12044479 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC[C@@H](O)CO 62a_100009815848_200000395870 [0,1,0,0,0,1|0,0,2]=4 122 B23R2.39379670 CC(=O)C(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000212229_200000395870 [0,1,0,0,0,1|0,0,0]=2 123 B23R2.39379670 CC(=O)C(C)SCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100009814033_200000395870 [0,1,0,0,0,1|0,0,0]=2 124 B23R2.39379670 CC(C)C(C)NCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000211541_200000395870 [0,1,0,0,0,1|1,0,1]=4 125 B23R2.39379670 CC(C)C(C)OCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100000748068_200000395870 [0,1,0,0,0,1|1,0,1]=4 126 B23R2.39379670 CC(CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)N(C)C 270004a_100102631434_100020615131 [0,1,0,0,0,1|2,0,0]=4 127 B23R2.39379670 CC(SCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 62a_100000702099_200000395870 [0,1,0,0,0,1|1,0,0]=3 128 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 2230a_100000119354_200000395870 [0,1,0,0,0,1|1,0,0]=3 129 B23R2.39379670 C[C@@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 34a_100000119354_200000395870 [0,1,0,0,0,1|1,0,0]=3 130 B23R2.39379670 C[C@@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 34a_100000731257_200000395870 [0,1,0,0,0,1|1,0,0]=3 131 B23R2.39379670 C[C@@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)N 7a_100000731257_200000395870 [0,1,0,0,0,1|1,0,0]=3 132 B23R2.39379670 C[C@H](NCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)O 269956a_100000743915_200000395870 [0,1,0,0,0,1|1,0,0]=3 133 B23R2.39379670 C[C@H](OCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C(=O)[O-] 7a_217856618621_200000395870 [0,1,0,0,0,1|1,0,0]=3 134 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC(F)C(=O)N 62a_100009813875_200000395870 [0,1,0,0,0,1|1,0,0]=3 135 B23R2.39379670 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC(F)C(=O)[O-] 62a_100020610796_200000395870 [0,1,0,0,0,1|1,0,0]=3 136 B23R2.39379681 C=C(C)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000225649_200000395870 [0,1,0,0,0,1|1,0,0]=3 137 B23R2.39379681 C=C(C)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000225649_200000395870 [0,1,0,0,0,1|1,0,0]=3 138 B23R2.39379681 CC(=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C)C 1458a_100000211388_200000395870 [0,1,0,0,0,1|1,0,1]=4 139 B23R2.39379681 CC(=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C)Cl 1458a_200042562850_200000395870 [0,1,0,0,0,1|1,0,1]=4 140 B23R2.39379681 CC(=CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C)I 1458a_100025716642_200000395870 [0,1,0,0,0,1|1,0,1]=4 141 B23R2.39379681 CC(C)CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000210554_200000395870 [0,1,0,0,0,1|1,0,1]=4 142 B23R2.39379681 CC(C)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000747067_200000395870 [0,1,0,0,0,1|1,0,1]=4 143 B23R2.39379681 CC(C)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000747067_200000395870 [0,1,0,0,0,1|1,0,1]=4 144 B23R2.39379681 CC(O)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_100000227577_200000395870 [0,1,0,0,0,1|0,0,2]=4 145 B23R2.39379681 CC(O)CN(C)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 269982a_100000227577_200000395870 [0,1,0,0,0,1|0,0,2]=4 146 B23R2.39379681 CN(C)CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100000750896_200000395870 [0,1,0,0,0,1|2,0,0]=4 147 B23R2.39379681 CN(CCCn1c(=O)c2c(ncn2C)n(c1=O)C)CC(=O)N 2230a_100000739694_200000395870 [0,1,0,0,0,1|1,0,0]=3 148 B23R2.39379681 CN(CCCn1c(=O)c2c(ncn2C)n(c1=O)C)CC(=O)O 269956a_100000746989_200000395870 [0,1,0,0,0,1|1,0,0]=3 149 B23R2.39379681 C[C@@H](O)CC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100011933948_200000395870 [0,1,0,0,0,1|0,0,2]=4 150 B23R2.39379681 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)CC(=O)N 1458a_100134613110_200000395870 [0,1,0,0,0,1|1,0,0]=3 151 B23R2.39379681 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)C[S+](C)C 1458a_200159257847_200000395870 [0,1,0,0,0,1|2,0,0]=4 152 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(C)(C)C 2230a_100000743828_200000395870 [0,1,0,0,0,1|1,0,1]=4 153 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(C)(C)F 2230a_100020643315_200000395870 [0,1,0,0,0,1|1,0,1]=4 154 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC(C)(C)O 2230a_100000751335_200000395870 [0,1,0,0,0,1|0,0,2]=4 155 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(C)(C)F 34a_100000716592_200000395870 [0,1,0,0,0,1|1,0,1]=4 156 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC(C)(F)F 34a_100000068830_200000395870 [0,1,0,0,0,1|1,0,1]=4 157 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(C)(C)C 62a_100011219605_200000395870 [0,1,0,0,0,1|1,0,1]=4 158 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(C)(C)F 62a_100011997219_200000395870 [0,1,0,0,0,1|1,0,1]=4 159 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC(C)(C)O 62a_100000764493_200000395870 [0,1,0,0,0,1|0,0,2]=4 160 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCS(=O)(=O)N 62a_100000741382_200000395870 [0,1,0,0,0,1|2,0,0]=4 161 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCS(=O)(=O)[O-] 62a_100009817235_200000395870 [0,1,0,0,0,1|2,0,0]=4 162 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC[N+](C)(C)C 62a_200000036245_200000395870 [0,1,0,0,0,1|2,0,0]=4 163 B23R2.39379685 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC[Si](C)(C)C 62a_100000037933_200000395870 [0,1,0,0,0,1|1,1,0]=4 164 B23R2.10404334 CCNC(C)CCCCn1c(=O)c2c(ncn2C)n(c1=O)C 270004a_100015525214_100020615131 [0,2,0,0,0,0|1,0,1]=4 165 B23R2.81785715 C/C=C(\C)/C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100020587367_200000395870 [0,2,0,0,0,0|1,0,1]=4 166 B23R2.81785715 CNC(=O)C(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C 1458a_100011218921_200000395870 [0,2,0,0,0,0|0,0,1]=3 167 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC3CC3 2230a_100000735609_200000395870 [0,0,0,1,0,1|1,0,1]=4 168 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNCC3CC3 34a_100000735609_200000395870 [0,0,0,1,0,1|1,0,1]=4 169 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCC3CC3 34a_100000211283_200000395870 [0,0,0,1,0,1|1,0,1]=4 170 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOC[C@@H]3CO3 34a_100000757423_200000395870 [0,0,0,1,0,1|0,0,2]=4 171 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC3CC3 62a_100000756562_200000395870 [0,0,0,1,0,1|1,0,1]=4 172 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC3CO3 62a_102125554688_200000395870 [0,0,0,1,0,1|0,0,2]=4 173 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCC3CS3 62a_100000031435_200000395870 [0,0,0,1,0,1|0,1,1]=4 174 B23R3.91006801 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSC[C@@H]3CO3 62a_100000745022_200000395870 [0,0,0,1,0,1|0,0,2]=4 175 B23R3.480467850 CC1CN(C1)CCCn2c(=O)c3c(ncn3C)n(c2=O)C 2230a_100000702820_200000395870 [0,0,0,1,0,1|1,0,1]=4 176 B23R3.480467850 CC1CN(C1)CCCn2c(=O)c3c(ncn3C)n(c2=O)C 269982a_100000702820_200000395870 [0,0,0,1,0,1|1,0,1]=4 177 B23R3.480467850 CC1CN(C1)CCCn2c(=O)c3c(ncn3C)n(c2=O)C 34a_100000702820_200000395870 [0,0,0,1,0,1|1,0,1]=4 178 B23R3.480467850 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN3CC(C3)F 2230a_100000690557_200000395870 [0,0,0,1,0,1|1,0,1]=4 179 B23R3.480467850 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN3CC(C3)F 269982a_100000690557_200000395870 [0,0,0,1,0,1|1,0,1]=4 180 B23R3.480467850 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN3CC(C3)F 34a_100000690557_200000395870 [0,0,0,1,0,1|1,0,1]=4 181 B23R3.480467850 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN3CC(C3)O 269982a_100000749847_200000395870 [0,0,0,1,0,1|0,0,2]=4 182 B23R3.480467852 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN[C@@H]3C[C@@H]3F 2230a_100015190264_200000395870 [0,0,0,1,0,1|1,0,1]=4 183 B23R3.480467852 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN[C@@H]3C[C@H]3F 2230a_100025746932_200000395870 [0,0,0,1,0,1|1,0,1]=4 184 B23R3.480467852 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCN[C@@H]3C[C@H]3F 34a_100025746932_200000395870 [0,0,0,1,0,1|1,0,1]=4 185 B23R2.39379684 C=C(Br)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100009813270_200000395870 [0,0,0,0,0,2|1,0,1]=4 186 B23R2.39379684 C=C(C)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000764851_200000395870 [0,0,0,0,0,2|1,0,0]=3 187 B23R2.39379684 C=C(C)CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000730704_200000395870 [0,0,0,0,0,2|1,0,0]=3 188 B23R2.39379684 CC(=CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C 34a_100000718196_200000395870 [0,0,0,0,0,2|1,0,0]=3 189 B23R2.39379684 CC(=CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C 34a_100000753907_200000395870 [0,0,0,0,0,2|1,0,0]=3 190 B23R2.39379684 CC(=CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C)C 62a_100000761012_200000395870 [0,0,0,0,0,2|1,0,0]=3 191 B23R2.39379684 CC(=O)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000759926_200000395870 [0,0,0,0,0,2|0,0,0]=2 192 B23R2.39379684 CC(=O)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100000759926_200000395870 [0,0,0,0,0,2|0,0,0]=2 193 B23R2.39379684 CC(=O)CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000053229_200000395870 [0,0,0,0,0,2|0,0,0]=2 194 B23R2.39379684 CC(=O)OCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000076356_200000395870 [0,0,0,0,0,2|0,0,0]=2 195 B23R2.39379684 CC(Br)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100009893172_200000395870 [0,0,0,0,0,2|1,0,1]=4 196 B23R2.39379684 CC(C)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000210254_200000395870 [0,0,0,0,0,2|1,0,1]=4 197 B23R2.39379684 CC(C)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 7a_100000210254_200000395870 [0,0,0,0,0,2|1,0,1]=4 198 B23R2.39379684 CC(C)CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000210312_200000395870 [0,0,0,0,0,2|1,0,1]=4 199 B23R2.39379684 CC(C)OCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100000709892_200000395870 [0,0,0,0,0,2|1,0,1]=4 200 B23R2.39379684 CC(O)CCNCCCn1c(=O)c2c(ncn2C)n(c1=O)C 2230a_200000755665_200000395870 [0,0,0,0,0,2|0,0,2]=4 201 B23R2.39379684 CC(O)CCSCCCn1c(=O)c2c(ncn2C)n(c1=O)C 62a_100012276601_200000395870 [0,0,0,0,0,2|0,0,2]=4 202 B23R2.39379684 C[C@@H](N)CCOCCCn1c(=O)c2c(ncn2C)n(c1=O)C 34a_100000706166_200000395870 [0,0,0,0,0,2|1,0,1]=4 203 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCNOCC(=O)O 269956a_100000106656_200000395870 [0,0,0,0,0,2|1,0,0]=3 204 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCC(=O)N 34a_100000757172_200000395870 [0,0,0,0,0,2|1,0,0]=3 205 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCOCCC(=O)N 7a_100000757172_200000395870 [0,0,0,0,0,2|1,0,0]=3 206 B23R2.39379684 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCSCCC(=O)N 62a_100000744528_200000395870 [0,0,0,0,0,2|1,0,0]=3