0 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cccc3 1P006V4C [0,0,0,0,0,0|0,0,0]=0 1 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)nccc3 1P0287TW [0,0,0,0,0,0|1,0,0]=1 2 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)nccn3 1P028H19 [0,0,0,0,0,0|2,0,0]=2 3 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(O)c3c(C2=O)cccc3 1P028H7A [0,0,0,0,0,0|0,0,2]=2 4 B21R3.3995204 O=C1CCC(C(=O)O1)N2C(=O)c3c(C2=O)cccc3 1P003TS5 [0,0,0,0,0,0|1,0,0]=1 5 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)c3c(C2=O)cccc3 1P003U8H [0,0,0,0,0,0|1,0,0]=1 6 B20R3.101131 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3 1P002U8J [1,0,0,0,0,0|0,0,1]=2 7 B20R3.402790 O=C1N(C2CCC(=O)CC2)C(=O)c3c1cccc3 1P007HE6 [1,0,0,0,0,0|1,0,1]=3 8 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)Br 1P01DFYS [0,1,0,0,0,0|0,0,0]=1 9 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)C 1P020MXK [0,1,0,0,0,0|0,0,0]=1 10 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)Cl 1P008JJM [0,1,0,0,0,0|0,0,0]=1 11 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)F 1P00584G [0,1,0,0,0,0|0,0,0]=1 12 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)I 1P02029R [0,1,0,0,0,0|0,0,0]=1 13 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)N 1P002FWX [0,1,0,0,0,0|0,0,0]=1 14 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)O 1P01EAL0 [0,1,0,0,0,0|0,0,0]=1 15 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)S 1P027RA2 [0,1,0,0,0,0|0,0,0]=1 16 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ncc(c3)Br 1P028H8M [0,1,0,0,0,0|1,0,0]=2 17 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Br)ccc3 1P01JIOW [0,1,0,0,0,0|0,0,0]=1 18 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Cl)ccc3 1P01JLZN [0,1,0,0,0,0|0,0,0]=1 19 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Cl)ncc3 1P01XGJW [0,1,0,0,0,0|1,0,0]=2 20 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(F)ccc3 1P008JJN [0,1,0,0,0,0|0,0,0]=1 21 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(I)ccc3 1P01XAP9 [0,1,0,0,0,0|0,0,0]=1 22 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(N)ccc3 1P002FWH [0,1,0,0,0,0|0,0,0]=1 23 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(O)ccc3 1P00DJWD [0,1,0,0,0,0|0,0,0]=1 24 B22R3.5726420 O=C1CC[C@@H](C(=O)N1)N2C(=O)c3c(C2=O)c(O)ccc3 1P02029E [0,1,0,0,0,0|0,0,0]=1 25 B22R3.5726443 O=C1CCC(C(=O)N1)N2C(=O)c3c(S2(=O)=O)cccc3 1P001VK0 [0,1,0,0,0,0|1,0,0]=2 26 B20R2.79457 CCCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O 1P00DHA9 [0,0,1,0,0,0|2,0,1]=4 27 B19R2.103395 O=C1CCC(C(=O)N1)NC(=O)c2ccccc2Br 1P0280S3 [1,0,1,0,0,0|1,0,0]=3 28 B19R2.153029 BrCC(=O)CCCN1C(=O)c2c(C1=O)cccc2 1P0072T4 [1,0,1,0,0,0|1,0,1]=4 29 B19R2.153029 COC(=O)CCCN1C(=O)c2c(C1=O)cccc2 1P00CMJG [1,0,1,0,0,0|1,0,1]=4 30 B19R2.153029 COC(=O)\C=C\CN1C(=O)c2c(C1=O)cccc2 1P00PFD1 [1,0,1,0,0,0|2,0,0]=4 31 B19R2.159136 O=CCCCCCN1C(=O)c2c(C1=O)cccc2 1P005BA4 [1,0,1,0,0,0|1,0,1]=4 32 B19R3.6049 O=C1N(C2CCCC=C2)C(=O)c3c1cccc3 1P007HA8 [2,0,0,0,0,0|1,0,1]=4 33 B19R3.6049 O=C1N([C@@H]2CCCNC2)C(=O)c3c1cccc3 1P0018L3 [2,0,0,0,0,0|0,0,2]=4 34 B19R3.6049 O=C1N([C@@H]2CCCNC2)C(=O)c3c1cccc3 1P00GUEM [2,0,0,0,0,0|0,0,2]=4 35 B19R3.6049 O=C1N([C@@H]2CCCNC2)C(=O)c3c1cccc3 1P00H1KG [2,0,0,0,0,0|0,0,2]=4 36 B19R3.539901 O=C1CCC(C(=O)N1)N2Cc3c(C2)cccc3 1P01FLCK [2,0,0,0,0,0|0,0,2]=4 37 B21R2.3655159 NC(=O)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O 1P002LKV [0,1,1,0,0,0|1,0,0]=3 38 B21R2.3655159 OC(=O)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O 1P002MBY [0,1,1,0,0,0|1,0,0]=3 39 B21R2.3655159 OC(=O)CC[C@H](N1C(=O)c2c(C1=O)cccc2)C(=O)O 1P003D0V [0,1,1,0,0,0|1,0,0]=3 40 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(F)ccc3 1P028CUA [1,1,0,0,0,0|0,0,1]=3 41 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(N)ccc3 1P028MSJ [1,1,0,0,0,0|0,0,1]=3 42 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(O)ccc3 1P023PQ6 [1,1,0,0,0,0|0,0,1]=3 43 B21R3.7150137 Nc1ccc2c(c1)C(=O)N(C2=O)C3CCCNC3=O 1P028IW1 [1,1,0,0,0,0|0,0,1]=3 44 B21R3.7150137 Oc1ccc2c(c1)C(=O)N(C2=O)C3CCCNC3=O 1P023PQ8 [1,1,0,0,0,0|0,0,1]=3 45 B21R3.7512211 O=C1C(N2CC3=C(C=C(F)C=C3)C2=O)CCC(N1)=O 1P01KCXQ [1,1,0,0,0,0|0,0,1]=3 46 B21R3.7512211 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cc(cc3)Br 1P01WKOS [1,1,0,0,0,0|0,0,1]=3 47 B21R3.7512211 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cc(cc3)I 1P027MQ7 [1,1,0,0,0,0|0,0,1]=3 48 B21R3.7512211 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cc(cc3)N 1P01M9VJ [1,1,0,0,0,0|0,0,1]=3 49 B21R3.7512211 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cc(cc3)O 1P01XE1B [1,1,0,0,0,0|0,0,1]=3 50 B21R3.7512211 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cc(nc3)Cl 1P020219 [1,1,0,0,0,0|1,0,1]=4 51 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(Br)ccc3 1P01WK2A [1,1,0,0,0,0|0,0,1]=3 52 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(F)ccc3 1P01XDB1 [1,1,0,0,0,0|0,0,1]=3 53 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(N)ccc3 1P01R9T7 [1,1,0,0,0,0|0,0,1]=3 54 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(O)ccc3 1P021RLM [1,1,0,0,0,0|0,0,1]=3 55 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3)Br 1P01JM9L [1,1,0,0,0,0|0,0,1]=3 56 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3)F 1P01X9Z0 [1,1,0,0,0,0|0,0,1]=3 57 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3)I 1P020BIM [1,1,0,0,0,0|0,0,1]=3 58 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3)N 1P01VKB2 [1,1,0,0,0,0|0,0,1]=3 59 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3)O 1P01JMBI [1,1,0,0,0,0|0,0,1]=3 60 B21R3.41339213 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ncc(c3)Br 1P027QE6 [1,1,0,0,0,0|1,0,1]=4 61 B21R3.41339213 O=C1CC[C@@H](C(=O)N1)N2Cc3c(C2=O)ccc(c3)Br 1P027PYL [1,1,0,0,0,0|0,0,1]=3 62 B21R3.41339213 O=C1CC[C@H](C(=O)N1)N2Cc3c(C2=O)ccc(c3)Br 1P027PYK [1,1,0,0,0,0|0,0,1]=3 63 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3Br 1P01JMBR [1,1,0,0,0,0|0,0,1]=3 64 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3Cl 1P027XMG [1,1,0,0,0,0|0,0,1]=3 65 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3F 1P01XDCP [1,1,0,0,0,0|0,0,1]=3 66 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3I 1P01KZD2 [1,1,0,0,0,0|0,0,1]=3 67 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3N 1P002FWY [1,1,0,0,0,0|0,0,1]=3 68 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3O 1P003AZV [1,1,0,0,0,0|0,0,1]=3 69 B21R3.39996465 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)cc(cc3)Br 1P028A30 [0,1,0,0,1,0|0,0,0]=2 70 B21R3.39996465 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)cc(cc3)F 1P0293AH [0,1,0,0,1,0|0,0,0]=2 71 B21R3.39996465 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)cc(cc3)N 1P0280NC [0,1,0,0,1,0|0,0,0]=2 72 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(Br)ccc3 1P027VDV [0,1,0,0,1,0|0,0,0]=2 73 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(F)ccc3 1P027U9M [0,1,0,0,1,0|0,0,0]=2 74 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(N)ccc3 1P027UNJ [0,1,0,0,1,0|0,0,0]=2 75 B23R3.18029795 O=C1CCC(C(=O)N1)n2c(C)nc3c(c2=O)c(F)ccc3 1P020MDR [0,1,0,0,0,1|1,0,0]=3 76 B23R3.18029795 O=C1CCC(C(=O)N1)n2c(C)nc3c(c2=O)c(N)ccc3 1P0090BC [0,1,0,0,0,1|1,0,0]=3 77 B23R3.142661787 O=C1CCC(C(=O)N1)n2c(C)nc3c(c2=O)ccc(c3)Br 1P027OLA [0,1,0,0,0,1|1,0,0]=3 78 B23R3.8363195 O=C1CCC(C(=O)N1)N2C(=O)c3c(S2(=O)=O)cc(cc3)Br 1P027W9C [0,2,0,0,0,0|1,0,0]=3 79 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3F)Br 1P024WYL [0,2,0,0,0,0|0,0,0]=2 80 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3F)F 1P023PPK [0,2,0,0,0,0|0,0,0]=2 81 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3N)O 1P01X1SY [0,2,0,0,0,0|0,0,0]=2 82 B23R3.17076691 Fc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)N(C3=O)C 1P01X87B [0,2,0,0,0,0|0,0,0]=2 83 B23R3.17076691 Nc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)N(C3=O)C 1P0291ZR [0,2,0,0,0,0|0,0,0]=2 84 B23R3.17076691 Oc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)N(C3=O)C 1P023PQ9 [0,2,0,0,0,0|0,0,0]=2 85 B23R3.29291885 BrCc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P0201Z4 [0,2,0,0,0,0|0,0,0]=2 86 B23R3.29291885 C#Cc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P0201ZO [0,2,0,0,0,0|0,0,0]=2 87 B23R3.29291885 NCc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P01DXG2 [0,2,0,0,0,0|0,0,0]=2 88 B23R3.29291885 NNc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P024I5Q [0,2,0,0,0,0|0,0,0]=2 89 B23R3.29291885 O=Cc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P020KNY [0,2,0,0,0,0|0,0,0]=2 90 B23R3.29291885 OCc1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1P028U15 [0,2,0,0,0,0|0,0,0]=2 91 B23R3.76604931 O=C1CCC(C(=O)N1)N2C(=O)c3c(S2(=O)=O)ccc(c3)Br 1P027W5M [0,2,0,0,0,0|1,0,0]=3 92 B23R3.76604932 O=C1N(C2CCC(=O)NC2=O)C(=O)c3c1cc(Cl)c(c3)Cl 1P028W6Y [0,2,0,0,0,0|0,0,0]=2 93 B23R3.76604932 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=C(F)C(F)=C3)=O 1P01KGGG [0,2,0,0,0,0|0,0,0]=2 94 B23R3.76604878 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Br)ccc3F 1P024HIP [0,2,0,0,0,0|0,0,0]=2 95 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(F)ccc3 1P0201VX [0,2,0,0,0,0|0,0,0]=2 96 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(N)ccc3 1P01X8PZ [0,2,0,0,0,0|0,0,0]=2 97 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(O)ccc3 1P023PQ7 [0,2,0,0,0,0|0,0,0]=2 98 B23R3.207356280 O=Cc1cccc2c1C(=O)N(C2=O)C3CCC(=O)NC3=O 1P023PPT [0,2,0,0,0,0|0,0,0]=2 99 B21R3.4977812 O=C1N(CCCc2ncc[nH]2)C(=O)c3c1cccc3 1P01DXBQ [0,0,1,1,0,0|2,0,0]=4 100 B19R2.1724163 COC(=O)C(=O)CN1C(=O)c2c(C1=O)cccc2 1P01A4MK [0,0,1,0,1,0|1,0,0]=3 101 B19R3.2125691 O=C1CCC(C1)N2C(=O)c3c(C2=O)cccc3 1P0099IT [1,0,0,0,1,0|0,0,1]=3 102 B21R2.875363 COC(=O)CCC(=O)CN1C(=O)c2c(C1=O)cccc2 1P00VV5R [0,0,1,0,0,1|2,0,0]=4 103 B21R3.23462013 O=C1CCCCC(C1)N2C(=O)c3c(C2=O)cccc3 1P01A1U1 [1,0,0,0,0,1|1,0,1]=4