0 B17R2.20672 CC(C)N1C(=S)NN=C1c2ccccc2Cl Amb19538987 [0,0,1,0,0,0|1,0,2]=4 1 B17R2.20672 CC(C)N1C(=S)NN=C1c2ccccc2F Amb19538441 [0,0,1,0,0,0|1,0,2]=4 2 B17R2.20672 Cc1ccccc1-c2ccc(C)n2C(C)C Amb17241472 [0,0,1,0,0,0|3,0,0]=4 3 B16R2.55 CCOc1ccccc1-c2nnc(S)o2 Amb2371079 [1,0,1,0,0,0|2,0,0]=4 4 B16R2.3005 CC(Cc1ccccn1)n2cnnc2Cl Amb30035296 [1,0,1,0,0,0|2,0,0]=4 5 B16R2.2313 CC(C)(C)n1cnnc1-c2ccccc2 Amb31156283 [1,0,1,0,0,0|0,0,0]=2 6 B16R2.5963 CC(C)n1c(Cl)nnc1-c2ccccc2 Amb7969666 [1,0,1,0,0,0|1,0,0]=3 7 B16R2.5963 CC(C)n1c(S)nnc1-c2ccccc2 Amb5794424 [1,0,1,0,0,0|0,0,0]=2 8 B16R2.5963 CC(C)n1c(S)nnc1-c2cccnc2 Amb8844762 [1,0,1,0,0,0|1,0,0]=3 9 B16R2.5963 CC(C)n1c(S)nnc1-c2ccncc2 Amb8841651 [1,0,1,0,0,0|1,0,0]=3 10 B16R2.5963 CC(C)n1c(S)nnc1-c2ccncn2 Amb33165122 [1,0,1,0,0,0|2,0,0]=4 11 B16R2.5963 CC(C)n1c(S)nnc1-c2ccnnc2 Amb33165016 [1,0,1,0,0,0|2,0,0]=4 12 B16R2.5963 CC(C)n1c(S)nnc1-c2cnccn2 Amb33164800 [1,0,1,0,0,0|2,0,0]=4 13 B16R2.5963 CC(C)n1c(S)nnc1-c2cncnc2 Amb33164995 [1,0,1,0,0,0|2,0,0]=4 14 B16R2.2645 CCN1C(=S)NN=C1c2ccccc2C Amb19526217 [1,0,1,0,0,0|0,0,2]=4 15 B16R2.2645 CCn1c(Cl)nnc1-c2ccccc2Cl Amb8026413 [1,0,1,0,0,0|2,0,0]=4 16 B16R2.2645 CCn1c(S)nnc1-c2ccccc2Br Amb837167 [1,0,1,0,0,0|1,0,0]=3 17 B16R2.2645 CCn1c(S)nnc1-c2ccccc2C Amb6378385 [1,0,1,0,0,0|0,0,0]=2 18 B16R2.2645 CCn1c(S)nnc1-c2ccccc2Cl Amb6378387 [1,0,1,0,0,0|1,0,0]=3 19 B16R2.2645 CCn1c(S)nnc1-c2ccccc2F Amb1872531 [1,0,1,0,0,0|1,0,0]=3 20 B16R2.3265 CC(C)n1cnnc1-c2ccccc2Cl Amb28872518 [1,0,1,0,0,0|1,0,0]=3 21 B16R2.3265 CC(C)n1cnnc1-c2ccccc2N Amb18963467 [1,0,1,0,0,0|1,0,0]=3 22 B16R2.3265 CC(C)n1nnnc1-c2ccccc2N Amb18953857 [1,0,1,0,0,0|2,0,0]=4 23 B16R3.2620 Sc1nnc2c3ccccc3ccn12 Amb13950136 [2,0,0,0,0,0|0,0,2]=4 24 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2Br Amb33190433 [0,1,1,0,0,0|1,0,1]=4 25 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2C Amb33190405 [0,1,1,0,0,0|0,0,1]=3 26 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2Cl Amb33190435 [0,1,1,0,0,0|1,0,1]=4 27 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2F Amb33190442 [0,1,1,0,0,0|1,0,1]=4 28 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2I Amb33190446 [0,1,1,0,0,0|1,0,1]=4 29 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2O Amb33190431 [0,1,1,0,0,0|1,0,1]=4 30 B18R2.96997 C=CC(C)n1c(S)nnc1-c2ccccc2S Amb33190449 [0,1,1,0,0,0|1,0,1]=4 31 B18R2.256643 Cc1ccccc1-c2cnc(CN)n2C(C)C Amb31118316 [0,1,1,0,0,0|2,0,0]=4 32 B18R2.285814 CC(C)n1c(S)nnc1-c2ccc(Cl)cc2Cl Amb2279326 [0,1,1,0,0,0|1,0,0]=3 33 B18R3.34076 Fc1ccccc1-c2nnc(S)n2C3CC3 Amb2257756 [0,0,1,1,0,0|1,0,0]=3 34 B18R3.34076 Sc1nnc(-c2ccccc2Cl)n1C3CC3 Amb1939247 [0,0,1,1,0,0|1,0,0]=3 35 B16R2.12858 Cc1occc1-c2nnc(S)n2C(C)C Amb6549448 [0,0,1,0,1,0|1,0,0]=3 36 B18R2.3733 CC(C)Oc1ccccc1Nc2nnc(S)s2 Amb17418623 [0,0,1,0,0,1|2,0,0]=4 37 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2ccccc2 Amb33164786 [0,0,1,0,0,1|0,0,0]=2 38 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2cccnc2 Amb33164931 [0,0,1,0,0,1|1,0,0]=3 39 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2ccncc2 Amb33164676 [0,0,1,0,0,1|1,0,0]=3 40 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2ccncn2 Amb33165128 [0,0,1,0,0,1|2,0,0]=4 41 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2ccnnc2 Amb33165022 [0,0,1,0,0,1|2,0,0]=4 42 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2cnccn2 Amb33164807 [0,0,1,0,0,1|2,0,0]=4 43 B18R2.32417 CC(C)(C)Cn1c(S)nnc1-c2cncnc2 Amb33165001 [0,0,1,0,0,1|2,0,0]=4 44 B18R2.39555 CC(C)Cn1c(S)nnc1-c2ccccc2F Amb1104396 [0,0,1,0,0,1|1,0,0]=3