0 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Br)ccc3 1P01JIOW [0,0,0,0,0,0|1,0,0]=1 1 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Cl)ccc3 1P01JLZN [0,0,0,0,0,0|1,0,0]=1 2 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Cl)ncc3 1P01XGJW [0,0,0,0,0,0|2,0,0]=2 3 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(F)ccc3 1P008JJN [0,0,0,0,0,0|1,0,0]=1 4 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(I)ccc3 1P01XAP9 [0,0,0,0,0,0|1,0,0]=1 5 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(N)ccc3 1P002FWH [0,0,0,0,0,0|0,0,0]=0 6 B22R3.5726420 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(O)ccc3 1P00DJWD [0,0,0,0,0,0|1,0,0]=1 7 B22R3.5726420 O=C1CC[C@@H](C(=O)N1)N2C(=O)c3c(C2=O)c(O)ccc3 1P02029E [0,0,0,0,0,0|1,0,0]=1 8 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(F)ccc3 1P028CUA [1,0,0,0,0,0|1,0,1]=3 9 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(N)ccc3 1P028MSJ [1,0,0,0,0,0|0,0,1]=2 10 B21R3.160233 O=C1NCCCC1N2C(=O)c3c(C2=O)c(O)ccc3 1P023PQ6 [1,0,0,0,0,0|1,0,1]=3 11 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cccc3 1P006V4C [1,0,0,0,0,0|0,0,0]=1 12 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)nccc3 1P0287TW [1,0,0,0,0,0|1,0,0]=2 13 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)nccn3 1P028H19 [1,0,0,0,0,0|2,0,0]=3 14 B21R3.3995204 O=C1CCC(C(=O)N1)N2C(O)c3c(C2=O)cccc3 1P028H7A [1,0,0,0,0,0|0,0,2]=3 15 B21R3.3995204 O=C1CCC(C(=O)O1)N2C(=O)c3c(C2=O)cccc3 1P003TS5 [1,0,0,0,0,0|1,0,0]=2 16 B21R3.3995204 O=C1CC[C@@H](C(=O)O1)N2C(=O)c3c(C2=O)cccc3 1P003U8H [1,0,0,0,0,0|1,0,0]=2 17 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(Br)ccc3 1P01WK2A [1,0,0,0,0,0|1,0,1]=3 18 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(F)ccc3 1P01XDB1 [1,0,0,0,0,0|1,0,1]=3 19 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(N)ccc3 1P01R9T7 [1,0,0,0,0,0|0,0,1]=2 20 B21R3.7512221 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(O)ccc3 1P021RLM [1,0,0,0,0,0|1,0,1]=3 21 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3Br 1P01JMBR [1,0,0,0,0,0|1,0,1]=3 22 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3Cl 1P027XMG [1,0,0,0,0,0|1,0,1]=3 23 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3F 1P01XDCP [1,0,0,0,0,0|1,0,1]=3 24 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3I 1P01KZD2 [1,0,0,0,0,0|1,0,1]=3 25 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3N 1P002FWY [1,0,0,0,0,0|0,0,1]=2 26 B21R3.142199474 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3O 1P003AZV [1,0,0,0,0,0|1,0,1]=3 27 B21R3.142199474 OC1=NC(=O)C(CC1)N2Cc3c(C2=O)cccc3N 1P00G45K [1,0,0,0,0,0|0,0,3]=4 28 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3F)Br 1P024WYL [0,1,0,0,0,0|1,0,0]=2 29 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3F)F 1P023PPK [0,1,0,0,0,0|1,0,0]=2 30 B23R3.8363210 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ccc(c3N)O 1P01X1SY [0,1,0,0,0,0|0,0,0]=1 31 B23R3.76604878 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(Br)ccc3F 1P024HIP [0,1,0,0,0,0|1,0,0]=2 32 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(F)ccc3 1P0201VX [0,1,0,0,0,0|1,0,0]=2 33 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(N)ccc3 1P01X8PZ [0,1,0,0,0,0|0,0,0]=1 34 B23R3.130152052 O=C1CCC(C(=O)N1C)N2C(=O)c3c(C2=O)c(O)ccc3 1P023PQ7 [0,1,0,0,0,0|1,0,0]=2 35 B23R3.207356280 O=Cc1cccc2c1C(=O)N(C2=O)C3CCC(=O)NC3=O 1P023PPT [0,1,0,0,0,0|1,0,0]=2 36 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(Br)ccc3 1P027VDV [0,0,0,0,1,0|1,0,0]=2 37 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(F)ccc3 1P027U9M [0,0,0,0,1,0|1,0,0]=2 38 B21R3.136611159 O=C1NC(=O)C(C1)N2C(=O)c3c(C2=O)c(N)ccc3 1P027UNJ [0,0,0,0,1,0|0,0,0]=1 39 B23R3.18029795 O=C1CCC(C(=O)N1)n2c(C)nc3c(c2=O)c(F)ccc3 1P020MDR [0,0,0,0,0,1|2,0,0]=3 40 B23R3.18029795 O=C1CCC(C(=O)N1)n2c(C)nc3c(c2=O)c(N)ccc3 1P0090BC [0,0,0,0,0,1|1,0,0]=2 41 B20R3.402790 O=C1N(C2CCC(=O)CC2)C(=O)c3c1cccc3 1P007HE6 [2,0,0,0,0,0|1,0,1]=4 42 B20R3.101131 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)cccc3 1P002U8J [2,0,0,0,0,0|0,0,1]=3 43 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)Br 1P01DFYS [1,1,0,0,0,0|0,0,0]=2 44 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)C 1P020MXK [1,1,0,0,0,0|0,0,0]=2 45 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)Cl 1P008JJM [1,1,0,0,0,0|0,0,0]=2 46 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)F 1P00584G [1,1,0,0,0,0|0,0,0]=2 47 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)I 1P02029R [1,1,0,0,0,0|0,0,0]=2 48 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)N 1P002FWX [1,1,0,0,0,0|0,0,0]=2 49 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)O 1P01EAL0 [1,1,0,0,0,0|0,0,0]=2 50 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cc(cc3)S 1P027RA2 [1,1,0,0,0,0|0,0,0]=2 51 B22R3.5726416 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)ncc(c3)Br 1P028H8M [1,1,0,0,0,0|1,0,0]=3 52 B22R3.5726443 O=C1CCC(C(=O)N1)N2C(=O)c3c(S2(=O)=O)cccc3 1P001VK0 [1,1,0,0,0,0|1,0,0]=3 53 B22R3.1148016 NCc1cccc2c1C(=O)N(C2)C3CCC(=O)NC3=O 1P028AKW [1,1,0,0,0,0|0,0,1]=3 54 B22R3.78189478 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(Br)ccc3F 1P020249 [1,1,0,0,0,0|1,0,1]=4 55 B22R3.78189478 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(F)ccc3Br 1P02024K [1,1,0,0,0,0|1,0,1]=4 56 B22R3.78189478 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(N)ccc3Br 1P028EG7 [1,1,0,0,0,0|0,0,1]=3 57 B22R3.78189538 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)c(F)cc(c3)Br 1P02032J [1,1,0,0,0,0|1,0,1]=4 58 B22R3.10332625 CN1C(=O)CCC(C1=O)N2Cc3c(C2=O)cccc3Br 1P023PQB [1,1,0,0,0,0|1,0,1]=4 59 B22R3.10332625 CN1C(=O)CCC(C1=O)N2Cc3c(C2=O)cccc3N 1P01WZZ1 [1,1,0,0,0,0|0,0,1]=3 60 B22R3.16908175 C#Cc1cccc2c1CN(C2=O)C3CCC(=O)NC3=O 1P023PPZ [1,1,0,0,0,0|1,0,1]=4 61 B22R3.16908175 COc1cccc2c1CN(C2=O)C3CCC(=O)NC3=O 1P023ZVC [1,1,0,0,0,0|1,0,1]=4 62 B22R3.16908175 NCc1cccc2c1CN(C2=O)C3CCC(=O)NC3=O 1P01XF36 [1,1,0,0,0,0|0,0,1]=3 63 B22R3.16908175 NCc1cccc2c1CN(C2=O)C3CCC(=O)NC3=O 1P02811N [1,1,0,0,0,0|0,0,1]=3 64 B22R3.16908175 O=Cc1cccc2c1CN(C2=O)C3CCC(=O)NC3=O 1P0283TF [1,1,0,0,0,0|1,0,1]=4 65 B22R3.300641421 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3F)Br 1P024SOV [1,1,0,0,0,0|1,0,1]=4 66 B22R3.300641421 O=C1CCC(C(=O)N1)N2Cc3c(C2=O)ccc(c3N)O 1P01E2HV [1,1,0,0,0,0|0,0,1]=3 67 B24R3.12022567 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)c(ccc3)C(=O)O 1P023PPS [0,2,0,0,0,0|1,0,0]=3 68 B24R3.12022567 O=C1CCC(C(=O)N1)N2C(=O)c3c(C2=O)cccc3[N+](=O)[O-] 1P002FWI [0,2,0,0,0,0|0,0,1]=3 69 B24R3.189285504 NCCc1cccc2c1C(=O)N(C2=O)C3CCC(=O)NC3=O 1P0293F4 [0,2,0,0,0,0|0,0,0]=2 70 B24R3.189285504 [N-]=[N+]=Nc1cccc2c1C(=O)N(C2=O)C3CCC(=O)NC3=O 1P027Y6U [0,2,0,0,0,0|0,0,1]=3 71 B22R3.11657648 Nc1cc2c(=O)n(C3CCC(=O)NC3=O)cnc2cc1 1P028X9A [0,0,1,1,0,0|1,0,0]=3 72 B24R4.6621448975 O=C1NC(=O)C2(CC1C2)N3C(=O)c4c(C3=O)c(N)ccc4 1P02823J [0,1,0,1,0,0|0,0,0]=2