smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(C)c1N=Nc1c(C)cccc1C 256206873 XBEAJNFYXLTYFG-UHFFFAOYSA-N 238.334 5.336 10 10 BKCE CCCCCCN=NNc1ccccc1C(C)C 1860494724 NYVOCMZPSGYXSX-UHFFFAOYSA-N 247.386 5.169 10 10 BKCE Cc1ccc(-c2ccc(C(C)C)cc2)n1C(C)C 41285576 MFZLGGSVFAJKIY-UHFFFAOYSA-N 241.378 5.168 10 10 BKCE Clc1cccc(N=NSc2ccccc2)c1 1088668980 POFVUEUJSRPQNU-UHFFFAOYSA-N 248.738 5.131 10 10 BKCE CCc1ccc(/N=N/c2ccc(CC)cc2)cc1 18036896 RYPGBMPNCYRHKZ-ISLYRVAYSA-N 238.334 5.227 10 10 BKCE Cc1ccc(/N=N/c2cc(C)ccc2[N+]#N)cc1 5380399 JESVKJCJTDTMGO-ISLYRVAYSA-N 237.286 5.203 10 10 BKCE Cc1ccc(N=Nc2ccc(C)cc2C)c(C)c1 256166838 CYYXARGGNXTAAM-UHFFFAOYSA-N 238.334 5.336 10 10 BKCE CCc1ccccc1/N=N/c1ccccc1CC 59370660 BTXXXTKJFQPYLT-ISLYRVAYSA-N 238.334 5.227 10 10 BKCE CCCC[C@H](CC)CSCCCCN=[N+]=[N-] 2246113771 DNXRZQMZKCNKID-LBPRGKRZSA-N 243.420 5.027 10 10 BKCE CCCC[C@@H](CC)CSCCCCN=[N+]=[N-] 2246113770 DNXRZQMZKCNKID-GFCCVEGCSA-N 243.420 5.027 10 10 BKCE [C-]#[N+]c1ccc(/N=N/c2ccccc2C)cc1C 95870019 VEKJVLXDRAFDSC-ISLYRVAYSA-N 235.290 5.270 10 10 BKCE [N-]=[N+]=NC1=CCCCCCCCCCC1 379700262 CXMXYPRXGHFNSI-UHFFFAOYSA-N 207.321 5.095 10 10 BKCE CC(C)CCC[C@H](C)CCCc1ccc(N)cc1 2259609712 VSBAGYBITYIQQE-HNNXBMFYSA-N 247.426 5.054 10 10 BKCE CCCCCCN=NNc1ccc(C(C)C)cc1 1860492580 ZVXHAPUMPBBFGV-UHFFFAOYSA-N 247.386 5.169 10 10 BKCE Cc1ccc(N=Nc2ccccc2Cl)cc1 256168141 IVTBQKWOALDSRQ-UHFFFAOYSA-N 230.698 5.064 10 10 BKCE CCc1ccccc1N=Nc1ccccc1CC 256198060 BTXXXTKJFQPYLT-UHFFFAOYSA-N 238.334 5.227 10 10 BKCE Cc1ccccc1N=Nc1c(C)cccc1C 256347668 PQSHCMWEMCCYPL-UHFFFAOYSA-N 224.307 5.027 10 10 BKCE CC(C)CCC[C@@H](C)CCCc1ccc(N)cc1 2259609713 VSBAGYBITYIQQE-OAHLLOKOSA-N 247.426 5.054 10 10 BKCE Cc1ccc(N=Nc2c[nH]c3ccccc23)c(C)c1 263625451 LKHQLVOPQYCJEJ-UHFFFAOYSA-N 249.317 5.200 10 10 BKCE Cc1cc(N=Nc2ccccc2C)ccc1N=N 1081827293 HTNYEEQAJRHDAR-UHFFFAOYSA-N 238.294 5.381 10 10 BKCE