smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCO[Si](CCCOC(F)(F)C(F)F)(OCC)OCC 195768225 RPBHMRVPUUGQCM-UHFFFAOYSA-N 322.371 3.299 50 30 DGGC O=C(O)c1cc(CBr)cc(CBr)c1 1649155 RZTUPNXWTOBHSY-UHFFFAOYSA-N 307.969 3.175 50 30 DGGC Cc1ccc(Cc2c(N=C=O)cccc2N=C=O)cc1N=C=O 111904914 PJXWOMTVMBIZAQ-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC CN(C)C(C=CNc1ccc(C(F)(F)F)cc1)=C(C#N)C#N 2265278847 FXVCJWAFKJUBOW-UHFFFAOYSA-N 306.291 3.494 50 30 DGGC COc1ccc(Br)cc1C(=O)[C@@H](C)Br 36903541 HYXOJJYSOGSLNK-ZCFIWIBFSA-N 321.996 3.424 50 30 DGGC Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3ccccc3)sc2n1 159130 SLDJGKWXBYIUMX-DJKKODMXSA-N 324.409 3.259 50 30 DGGC CCOC(=O)/C(C#N)=C/N(/N=C/c1ccccc1)c1ccccc1 4301099 HVLHNVTYKDLFDS-MSBFWHRESA-N 319.364 3.498 50 30 DGGC CSc1sc(C(=O)N/N=N/C(C)C)c2c1[C@H](O)CCC2 125628 ONTOTEMQFKZJAG-SECBINFHSA-N 313.448 3.345 50 30 DGGC O=C(NNc1cccc(C(F)(F)F)n1)c1c(F)cccc1F 78269 LDXJDBHNCDWNBO-UHFFFAOYSA-N 317.217 3.136 50 30 DGGC N#C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Cc1ccco1 125263 UYFZRUKYGDOXRK-RIYZIHGNSA-N 307.758 3.412 50 30 DGGC O=C1c2cc(Br)ccc2OCC[C@H]1Br 114979147 ISQJJKIRKHUOOI-MRVPVSSYSA-N 319.980 3.178 50 30 DGGC O=[N+]([O-])c1ccc(F)c(Br)c1CBr 306588942 TZHYFINTWCVNEH-UHFFFAOYSA-N 312.920 3.391 50 30 DGGC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CBr 306486226 JAHRUPJRTPMZTM-SNVBAGLBSA-N 304.228 3.419 50 30 DGGC COc1ccc(CCBr)c(Br)c1O 96336913 FOXWJZFZWCCRSC-UHFFFAOYSA-N 309.985 3.101 50 30 DGGC N#CC(C#N)=C(NC(=O)c1ccccc1)Nc1cccc(Cl)c1 128833 BZOGYRQFGRRAID-UHFFFAOYSA-N 322.755 3.441 50 30 DGGC CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2CBr 306486225 JAHRUPJRTPMZTM-JTQLQIEISA-N 304.228 3.419 50 30 DGGC COc1cccc(C=NNC(=O)c2ccccc2-n2cccc2)c1 12952846 JJKMCIBFGARHQB-UHFFFAOYSA-N 319.364 3.250 50 30 DGGC N#CC(NCCC1=CCCCC1)=C1C(=O)c2ccccc2C1=O 100393431 XTNRERCQGXWRLN-UHFFFAOYSA-N 306.365 3.323 50 30 DGGC CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](CBr)C2 2265381479 MIBSLHDSNRJZPX-DCAQKATOSA-N 304.228 3.417 50 30 DGGC COc1ccc(C(=O)/C(C#N)=C/N2CCc3ccccc3C2)cc1 149952 QHHZBIXRGXKLNO-NBVRZTHBSA-N 318.376 3.344 50 30 DGGC CCOC(=O)c1cc(CC)sc1NC(=O)C(Cl)Cl 90987 NCLZEOSQPSZHSF-UHFFFAOYSA-N 310.202 3.229 50 30 DGGC CC(C)(C)c1ccc(NC(=O)NNc2ncccc2C#N)cc1 151315 LLLZMPQNPZVHOK-UHFFFAOYSA-N 309.373 3.399 50 30 DGGC CC(C)(O)C(C)(C)OB(O)/C=C/CO[Si](C)(C)C(C)(C)C 217899376 XTTQIRWBPKZYNL-ZHACJKMWSA-N 316.323 3.150 50 30 DGGC N#CC(Nc1cc(Cl)ccc1O)=C1C(=O)c2ccccc2C1=O 101191 KUDXGEYMCMLRCQ-UHFFFAOYSA-N 324.723 3.314 50 30 DGGC Cc1csc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 82629 MDLAMXQSZXNUES-UHFFFAOYSA-N 316.426 3.429 50 30 DGGC Cc1ccc(NC(C#N)=C2C(=O)c3ccccc3C2=O)cc1F 101091 PZKMLIVVIGQOGK-UHFFFAOYSA-N 306.296 3.403 50 30 DGGC O=C(OCCc1cccc2c1[C@@H](Cl)C(=O)N2)c1ccccc1 95931967 QXZUSCSOBQPDPX-OAHLLOKOSA-N 315.756 3.318 50 30 DGGC O=C(NN=Cc1cccs1)c1sccc1-n1cccc1 254835121 VLIXWSAXCYRWFX-UHFFFAOYSA-N 301.396 3.364 50 30 DGGC CCOc1ccc(CN(CCCl)CCCl)cc1[N+](=O)[O-] 95832242 YAFINOJPDYCLGH-UHFFFAOYSA-N 321.204 3.273 50 30 DGGC CC(C)[C@H](Br)C(=O)OCC(Cl)(Cl)Cl 1998301 QLWAWPABINQVLJ-YFKPBYRVSA-N 312.418 3.319 50 30 DGGC CC(C)(C)OC(=O)c1ccccc1OCCBr 95829585 ORNMBDVIHMFPGN-UHFFFAOYSA-N 301.180 3.416 50 30 DGGC CC(=O)NCCP(=O)(O[Si](C)(C)C)O[Si](C)(C)C 195782515 AKZHPWWSFAYUIN-UHFFFAOYSA-N 311.467 3.019 50 30 DGGC CCN(CC)C(=O)/C=C/[C@]1(C)CCOC2(CCCCC2)OO1 100291228 CWDMBZONLPMJKH-ONOODXEBSA-N 311.422 3.199 50 30 DGGC CCOC(=O)c1c(C(F)(F)F)coc1CBr 142768558 ISNQYMXGQFPNFT-UHFFFAOYSA-N 301.058 3.370 50 30 DGGC CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)CBr 208020810 ZIJCVCKVXHYUPU-SNVBAGLBSA-N 320.227 3.130 50 30 DGGC Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)c1cccs1 157483 GGNQKKYCIYZFTO-LICLKQGHSA-N 310.382 3.006 50 30 DGGC O=C(CCc1ccccc1)NNc1c(Cl)cncc1Cl 146794 SPGTWQAWMJWXDP-UHFFFAOYSA-N 310.184 3.464 50 30 DGGC O=C(NNc1ncccc1C(F)(F)F)c1c(F)cccc1F 77978 XNSLOZRZAXHDOC-UHFFFAOYSA-N 317.217 3.136 50 30 DGGC O=C1[C@H](Br)CCCN1[C@@H]1CCCc2ccccc21 70494591 BZZMEQGCELHUMZ-ZIAGYGMSSA-N 308.219 3.450 50 30 DGGC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)C 75399 GLDZAKKGGAYGNY-UHFFFAOYSA-N 314.172 3.163 50 30 DGGC Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccs1 138025 OVLLUMPISPDZOY-LICLKQGHSA-N 311.366 3.475 50 30 DGGC O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1Cl 67677 MPPKSGHRQXQDSK-UHFFFAOYSA-N 323.780 3.111 50 30 DGGC O=C(NNC1=Nc2ccccc2SC1)c1ccc(Cl)cc1 160420 IENXZUWRUBNESG-UHFFFAOYSA-N 317.801 3.410 50 30 DGGC Cc1oc(C(C)(C)C)cc1C(=O)/C(C#N)=C/Nc1ncccn1 113495 KSGJTAYATGFOGS-ZRDIBKRKSA-N 310.357 3.378 50 30 DGGC Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NN)c(C)c1C 137517 IMGNGDJNALYMIR-UHFFFAOYSA-N 310.397 3.063 50 30 DGGC O=C1[C@H](Br)CCCN1c1ccc(OC(F)F)cc1 70494555 FJRKFTBJZQAFBX-SNVBAGLBSA-N 320.133 3.178 50 30 DGGC in-vitro COc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC 114954886 XSRBOIIQYSCFDD-UHFFFAOYSA-N 319.269 3.190 50 30 DGGC C=C(C)C(=O)Oc1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-] 3614052 OXQBCZMXEKVZOL-UHFFFAOYSA-N 321.072 3.291 50 30 DGGC O=C1c2cc(Br)ccc2OCC[C@@H]1Br 114979149 ISQJJKIRKHUOOI-QMMMGPOBSA-N 319.980 3.178 50 30 DGGC O=C1[C@@H](Br)CCCN1c1ccc(OC(F)F)cc1 70494554 FJRKFTBJZQAFBX-JTQLQIEISA-N 320.133 3.178 50 30 DGGC in-vitro Cc1ccc(Cc2ccc(N=C=O)cc2N=C=O)cc1N=C=O 111904919 RFDDEHIGNVULBM-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC CCCCC#Cc1cncc(C(=O)N/N=C/c2ccccc2)c1 4364040 VMKYSWIFBXIYGX-KGENOOAVSA-N 305.381 3.387 50 30 DGGC Cc1c(Cc2ccc(N=C=O)cc2N=C=O)cccc1N=C=O 111904922 TXWSTJWCMLPFOD-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC O=C(NNc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])o1 115370 DDKGUBLQNPGTNQ-UHFFFAOYSA-N 316.100 3.252 50 30 DGGC C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CBr 101742707 VEULXYRJGBJWFF-IUCAKERBSA-N 308.216 3.142 50 30 DGGC C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CBr 12506564 VEULXYRJGBJWFF-RKDXNWHRSA-N 308.216 3.142 50 30 DGGC O=C(NCCSCc1ccc(Cl)cc1)C(Cl)Cl 4390595 NTHGRTJSZIDPQE-UHFFFAOYSA-N 312.649 3.493 50 30 DGGC N#C/C(=C\Nc1cccc(Cl)c1)S(=O)(=O)Cc1ccco1 3083096 FHJSHYCTNXIQNW-NTEUORMPSA-N 322.773 3.325 50 30 DGGC N#CC(C#N)=C1C=C(c2ccccc2)S(=O)(=O)c2ccccc21 2574221 GRDXPCBONNNATN-UHFFFAOYSA-N 318.357 3.316 50 30 DGGC BrCc1ccc(Br)c2nsnc12 22004551 UBUAJYFTFANRQH-UHFFFAOYSA-N 307.998 3.349 50 30 DGGC CN(C)C(CC=NOCc1ccc(F)cc1Cl)=C(C#N)C#N 254730468 SEOGMYSZECLDNH-UHFFFAOYSA-N 320.755 3.234 50 30 DGGC N#C/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccccc1 106214 ZLGMVCQXMFSRPJ-RIYZIHGNSA-N 305.305 3.303 50 30 DGGC COc1ccc(CN(C)C(=O)[C@H](Br)C(C)C)cc1 37389915 NIFDCHXVLWHXPZ-CYBMUJFWSA-N 314.223 3.073 50 30 DGGC BrCc1cc(Br)c2nsnc2c1 238004496 RWIIQUDQNGPZFR-UHFFFAOYSA-N 307.998 3.349 50 30 DGGC N#C/C(=C\c1cc2ccccc2o1)S(=O)(=O)c1ccccn1 6500272 BAFOSINEXFQCIY-GXDHUFHOSA-N 310.334 3.166 50 30 DGGC O=C(Nc1c(F)cc(Br)cc1F)C(Cl)Cl 138742 YWOLTIBHODLLFC-UHFFFAOYSA-N 318.932 3.470 50 30 DGGC C/C=C1\C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 254567770 ZEMNDQUOMWGCAZ-KIUNYXPYSA-O 307.417 3.002 50 30 DGGC CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](CBr)C2 2265381478 MIBSLHDSNRJZPX-AXFHLTTASA-N 304.228 3.417 50 30 DGGC CCNC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 95719567 OMLPCLNQAATCEG-MRVPVSSYSA-N 311.294 3.125 50 30 DGGC Cc1c(Cc2ccccc2N=C=O)cc(N=C=O)cc1N=C=O 111904389 NUPFKDQTOQCZOA-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC N#C/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)Cc1ccco1 1037718 IEAWRLDLNNOJDR-NTEUORMPSA-N 322.773 3.325 50 30 DGGC NNC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)o1 121037 IPZWRUWTTHRBKO-UHFFFAOYSA-N 322.411 3.154 50 30 DGGC CC(=O)Nc1cccc(NC(=O)[C@@H](Br)C(C)C)c1 19440584 CMLJWEIGIDDHIQ-LBPRGKRZSA-N 313.195 3.003 50 30 DGGC N#CC1=C(O)CCN(c2ccc(C3(C#N)CCCC3)cc2)C1=O 97757700 RGKSDJCUDPDVMT-UHFFFAOYSA-N 307.353 3.094 50 30 DGGC CCO[Si](CCC[N+](CC)(CC)CC)(OCC)OCC 195766979 QSXKNCPCGANUEJ-UHFFFAOYSA-N 306.543 3.301 50 30 DGGC N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)c1ccccn1 95239 XZWXOUZMXAVYCH-CSKARUKUSA-N 322.748 3.212 50 30 DGGC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)NN)cc2)n1 112917 VKSSBMAZRVLSHA-UHFFFAOYSA-N 314.433 3.071 50 30 DGGC Cc1cccc(CBr)c1I 196541438 ZHLSZYVCQAJUJC-UHFFFAOYSA-N 310.960 3.495 50 30 DGGC CN(C)C(CC=NOCc1c(F)cccc1Cl)=C(C#N)C#N 254289233 JDRAHLGAWMHGRI-UHFFFAOYSA-N 320.755 3.234 50 30 DGGC O=C1[C@@H](Br)CCCN1[C@@H]1CCCc2ccccc21 70494589 BZZMEQGCELHUMZ-UONOGXRCSA-N 308.219 3.450 50 30 DGGC O=C(NNc1c(Cl)cncc1Cl)c1ccc(F)cc1F 146785 VRBQUFSIBMNKEF-UHFFFAOYSA-N 318.110 3.424 50 30 DGGC CN(C)[P+](Cc1ccc(CCl)cc1)(N(C)C)N(C)C 33867351 ZPAMPUISZKMZHW-UHFFFAOYSA-N 302.810 3.373 50 30 DGGC N#C/C(=C\c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccn1 106485 DRZAWNDYIISVBJ-YRNVUSSQSA-N 322.748 3.212 50 30 DGGC C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CBr 215154721 VEULXYRJGBJWFF-DTWKUNHWSA-N 308.216 3.142 50 30 DGGC COC(=O)c1sccc1N/C=C(\C#N)C(=O)c1cccs1 125852 IZPAJKXVKGDAGA-CMDGGOBGSA-N 318.379 3.298 50 30 DGGC COc1c(C)cc([PH](=O)c2cc(C)c(OC)c(C)c2)cc1C 100094854 JSYUCISYJIGHOR-UHFFFAOYSA-N 318.353 3.448 50 30 DGGC C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 254567771 ZEMNDQUOMWGCAZ-SGOSZTRJSA-O 307.417 3.002 50 30 DGGC O=[N+]([O-])c1cc(F)cc(Br)c1CBr 307649135 HTMQQHDHWBLMKU-UHFFFAOYSA-N 312.920 3.391 50 30 DGGC COc1ccc(CN(C)C(=O)[C@@H](Br)C(C)C)cc1 37389913 NIFDCHXVLWHXPZ-ZDUSSCGKSA-N 314.223 3.073 50 30 DGGC N#C/C(=C\Nc1ccc2c(c1)C(=O)OC2)C(=O)c1ccccc1 170372 CMZXZZLJPAZHJE-GXDHUFHOSA-N 304.305 3.059 50 30 DGGC CN(C)C(C=CNc1cccc(Br)c1)=C(C#N)C#N 2265279392 OKKLEWLWLPVZOG-UHFFFAOYSA-N 317.190 3.238 50 30 DGGC Cl[C@@H]1C[C@@H]2[C@@H]3[C@@H]1[C@]1(Cl)[C@]3(Cl)[C@]3(Cl)[C@@H]2[C@@]13Cl 137896143 CRLWYRLOSBWCLX-VHWFIBRISA-N 304.431 3.427 50 30 DGGC CC(C)[C@H](Br)C(=O)[C@@H](Br)C(C)C 196302112 GQBBHKNQKIAYJT-YUMQZZPRSA-N 300.034 3.395 50 30 DGGC CN(CCCl)C(=O)c1ccccc1C(=O)c1ccccc1 59994476 BFVYSPGKIADILF-UHFFFAOYSA-N 301.773 3.228 50 30 DGGC CC(C)[C@@H](Br)C(=O)OCC(Cl)(Cl)Cl 1998302 QLWAWPABINQVLJ-RXMQYKEDSA-N 312.418 3.319 50 30 DGGC CCOC(=O)c1ccc(/C(C)=N/NC(=O)OC(C)(C)C)cc1 146459635 RIWYPBKLQJUBNT-GZTJUZNOSA-N 306.362 3.112 50 30 DGGC Cc1ccc(/C=C(\C#N)S(=O)(=O)c2c(N)oc(C)c2C)cc1 111602 JICLWXBVTRWMIK-RIYZIHGNSA-N 316.382 3.125 50 30 DGGC BrC(Br)c1ccccc1OC[C@@H]1CO1 100050329 RUBIQRSGTVJYHR-ZETCQYMHSA-N 321.996 3.253 50 30 DGGC CSc1sc(C(=O)N/N=N/C(C)C)c2c1[C@@H](O)CCC2 125625 ONTOTEMQFKZJAG-VIFPVBQESA-N 313.448 3.345 50 30 DGGC O=C1[C@@H](Br)CCN1c1ccc(Cl)c(Cl)c1 82606611 VUXMKBJIESFMLX-ZETCQYMHSA-N 308.990 3.494 50 30 DGGC in-vitro CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@]24OO3 97977321 NLYNIRQVMRLPIQ-KTOPLCRVSA-N 312.406 3.231 50 30 DGGC CN(C)/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 33381571 SJDWNNRAWOABDO-BQYQJAHWSA-N 317.698 3.266 50 30 DGGC N#Cc1cccnc1NNC(=O)Nc1cccc2ccccc12 151317 IKWOAMRJWMUCIV-UHFFFAOYSA-N 303.325 3.255 50 30 DGGC CCCCC#Cc1cncc(C(=O)N/N=C/c2cccs2)c1 4364046 BMBALNISKWQDSF-CPNJWEJPSA-N 311.410 3.449 50 30 DGGC N#CC(C#N)=CNc1cccc(NC(=O)c2cccc(Cl)c2)n1 166685 HBNOQWLGFMQZGZ-UHFFFAOYSA-N 323.743 3.330 50 30 DGGC Cc1csc2ncnc(NNC(=O)c3ccc(Cl)cc3)c12 82614 HDNOCCUXMJJHHW-UHFFFAOYSA-N 318.789 3.410 50 30 DGGC CCO[Si](CCCC(=O)O[Si](C)(C)C)(OCC)OCC 195767724 MQVJMBRYTYHBNW-UHFFFAOYSA-N 322.550 3.193 50 30 DGGC COC(=O)c1c(C)[nH]c(C)c1/C=C(\C#N)C(=O)c1cccs1 4363456 LQXJUHLZMIERCS-YRNVUSSQSA-N 314.366 3.270 50 30 DGGC O=C1[C@@H](Br)CCCN1[C@H]1CCCc2ccccc21 70494588 BZZMEQGCELHUMZ-KBPBESRZSA-N 308.219 3.450 50 30 DGGC O=C1[C@@H](Br)CCN1c1ccccc1C(F)(F)F 95883643 JZGPSOHIBDAEBK-QMMMGPOBSA-N 308.097 3.206 50 30 DGGC in-vitro CCOC(C[C@H](CO)CO[Si](C)(C)C(C)(C)C)OCC 504373288 MOAGTDUEMCBCPA-CYBMUJFWSA-N 306.519 3.406 50 30 DGGC CSC(=S)N(C)NC(=O)Nc1cccc(C(F)(F)F)c1 140205 PJSSTOFEPPJXFE-UHFFFAOYSA-N 323.365 3.322 50 30 DGGC COC(=O)[C@@H](Br)c1cccc(Br)c1 39175482 HYTMFNLQELTQHW-QMMMGPOBSA-N 307.969 3.058 50 30 DGGC CC1=C(C#N)[C@H](c2ccc3c(c2)CCO3)C2=C(CCCC2=O)N1 20421611 JAUXOEWHBTUIOS-SFHVURJKSA-N 306.365 3.113 50 30 DGGC COC(=O)c1ccc(OCCCCCBr)cc1 70492084 IZESMFHWBSRQFQ-UHFFFAOYSA-N 301.180 3.417 50 30 DGGC CS/C(NCc1cccnc1)=C(/C#N)C(=O)c1cccs1 4693567 WYTIRQYXHKOLAN-QINSGFPZSA-N 315.423 3.214 50 30 DGGC O=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43152569 ODKGGAKOCGCWDI-UHFFFAOYSA-N 322.401 3.478 50 30 DGGC CC(C)(C)c1cc2ncnc(NNC(=O)c3ccco3)c2s1 117112 VLODQRVJYZHOHZ-UHFFFAOYSA-N 316.386 3.339 50 30 DGGC C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CBr 215154676 VEULXYRJGBJWFF-BDAKNGLRSA-N 308.216 3.142 50 30 DGGC N#CC(C#N)=C(NC(=O)c1ccccc1)Nc1ccccc1Cl 128828 HKBOZRXMCVULEM-UHFFFAOYSA-N 322.755 3.441 50 30 DGGC CC(C)[C@@H](Br)C(=O)N[C@H]1CCOc2ccccc21 37389883 BJEONJHYTGUFOZ-WCQYABFASA-N 312.207 3.046 50 30 DGGC O=C1c2ccccc2CC[C@H](I)C1(F)F 1535639586 RSQAOVORQHOMMS-VIFPVBQESA-N 322.092 3.254 50 30 DGGC CC(C)(C)OOC(=O)c1ccccc1C(=O)OOC(C)(C)C 1676267 QZYRMODBFHTNHF-UHFFFAOYSA-N 310.346 3.460 50 30 DGGC O=C(CCl)N=c1sccn1Cc1cccc2ccccc12 254379153 UWMDLXSQGLERIU-UHFFFAOYSA-N 316.813 3.417 50 30 DGGC CCN(CC)C(=O)/C=C/[C@@]1(C)CCOC2(CCCCC2)OO1 100291230 CWDMBZONLPMJKH-YHVDPYDOSA-N 311.422 3.199 50 30 DGGC N#C/C(=C\Nc1cnccn1)C(=O)c1cccc(C(F)(F)F)c1 148984 GUWVUFQOGVVARY-DHZHZOJOSA-N 318.258 3.198 50 30 DGGC CC(C)(C)CN/C(C#N)=C(/C#N)NCc1cccc(Cl)c1 20432611 XGPGKTCJSGYXCY-PFONDFGASA-N 302.809 3.324 50 30 DGGC COCCOCCOCCC[Si](C)(C)O[Si](C)(C)C 201331828 CBFCYAGKRBPSGN-UHFFFAOYSA-N 308.567 3.113 50 30 DGGC Cc1ccc(N=C=O)cc1Cc1ccc(N=C=O)cc1N=C=O 59457169 FCLSLHSWMAUISZ-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC Cc1noc(C)c1C(=O)NNc1cc(Cl)ccc1Cl 146654 LKOACYVYDRQGOR-UHFFFAOYSA-N 300.145 3.355 50 30 DGGC CC(C)[C@H](Br)C(=O)N[C@H]1CCOc2ccccc21 37389881 BJEONJHYTGUFOZ-AAEUAGOBSA-N 312.207 3.046 50 30 DGGC Cc1ccccc1C(=O)NNc1ccc(-c2csnn2)cc1 106613 ZGSHLESCBXCHGS-UHFFFAOYSA-N 310.382 3.270 50 30 DGGC O=[N+]([O-])c1cc(Br)ccc1CCBr 140801049 LMTOSNDIDOANSD-UHFFFAOYSA-N 308.957 3.295 50 30 DGGC COC(=O)[C@H](Br)c1cccc(Br)c1 39175481 HYTMFNLQELTQHW-MRVPVSSYSA-N 307.969 3.058 50 30 DGGC Cc1c(Cc2c(N=C=O)cccc2N=C=O)cccc1N=C=O 111904916 UXSDGXOKNGHNEL-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC O=C(CCl)ON=Cc1c(-c2ccccc2)nc2sccn12 254485597 HCKWNYRQXIQVCO-UHFFFAOYSA-N 319.773 3.179 50 30 DGGC O=C(NNc1ncccc1-n1cccc1)c1ccc(Cl)cc1 110095 PPFFNWGZZLFEKF-UHFFFAOYSA-N 312.760 3.283 50 30 DGGC Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)N 139797 ZXIFHNZFPUNLBQ-UHFFFAOYSA-N 315.160 3.294 50 30 DGGC O=c1cc(CBr)c2ccc(Br)cc2o1 88107981 GYIQHWNVXGYRKN-UHFFFAOYSA-N 317.964 3.450 50 30 DGGC Cc1ccc(N=C=O)cc1Cc1c(N=C=O)cccc1N=C=O 111904912 RYDGVOWJTFTKDR-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC CCOC(=O)c1cc(CBr)c(Cl)nc1Cl 2265365062 YUIJDIXNMDJGPS-UHFFFAOYSA-N 312.978 3.460 50 30 DGGC ClCCN(CCn1nnc2ccccc21)Cc1ccccc1 1996138 VFXXMCWWHMIEHO-UHFFFAOYSA-N 314.820 3.172 50 30 DGGC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]1[C@H]2CBr 1535640713 UMUNXGPKVWNSJB-VWYCJHECSA-N 304.228 3.417 50 30 DGGC Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(Cl)cc1 33385068 RYZUCLZUVAYDML-ZDLGFXPLSA-N 312.760 3.060 50 30 DGGC CN(NC(=O)c1ccccc1Cl)c1cccc(F)c1C#N 139829 JSQGBVGDHRTNLW-UHFFFAOYSA-N 303.724 3.132 50 30 DGGC O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 2010467 SJFABTRXLXVFME-UHFFFAOYSA-N 322.660 3.376 50 30 DGGC CC(C)[C@@H](Br)C(=O)N1CCc2sccc2C1 19434397 YSWWPPHXMDNMFW-LLVKDONJSA-N 302.237 3.052 50 30 DGGC in-vitro N#C/C(=C\NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 20442247 VDJCVSAQSWNCLU-RVDMUPIBSA-N 324.833 3.401 50 30 DGGC COc1ccc(OCCC(=O)N/N=C/C=C/c2ccccc2)cc1 3161617 OHQSPCJRGAZEAW-WZGWSHODSA-N 324.380 3.280 50 30 DGGC O=C(OCCc1cccc2c1[C@H](Cl)C(=O)N2)c1ccccc1 100115420 QXZUSCSOBQPDPX-HNNXBMFYSA-N 315.756 3.318 50 30 DGGC BrC(Br)c1ccccc1OC[C@H]1CO1 100050327 RUBIQRSGTVJYHR-SSDOTTSWSA-N 321.996 3.253 50 30 DGGC BrCC[C@@H]1CC1(Br)Br 196242674 GJVOEYWTKBTDFF-SCSAIBSYSA-N 306.823 3.277 50 30 DGGC CN(C)NC(=O)c1csnc1-c1c(Cl)cccc1Cl 76445 TVOLVHLLDNWQTK-UHFFFAOYSA-N 316.213 3.323 50 30 DGGC O=C=NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 147685588 JSOFPERMVZDIAT-UHFFFAOYSA-N 300.019 3.317 50 30 DGGC CC1=C(C#N)[C@@H](c2ccc3c(c2)CCO3)C2=C(CCCC2=O)N1 20421610 JAUXOEWHBTUIOS-GOSISDBHSA-N 306.365 3.113 50 30 DGGC Cc1cc(CBr)ccc1I 200188232 UDQHYECIMHPHLW-UHFFFAOYSA-N 310.960 3.495 50 30 DGGC Cc1c(N=C=O)cc(Cc2ccc(N=C=O)cc2)cc1N=C=O 59457170 PBJBHJNMKUPYFP-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC CCOC(=O)/C(C#N)=C/Nc1ncc(C(F)(F)F)cc1Cl 93314 SYQDPNCZIOCAPL-FNORWQNLSA-N 319.670 3.136 50 30 DGGC N#CC(=C1SCCCS1)S(=O)(=O)c1cccs1 125091 ONXASSFTBXYNPT-UHFFFAOYSA-N 303.455 3.085 50 30 DGGC Cc1c(N=C=O)cc(Cc2ccccc2N=C=O)cc1N=C=O 111904384 GMRNPNMSFIZWBC-UHFFFAOYSA-N 305.293 3.488 50 30 DGGC CC(=O)Nc1cccc(NC(=O)[C@H](Br)C(C)C)c1 19440582 CMLJWEIGIDDHIQ-GFCCVEGCSA-N 313.195 3.003 50 30 DGGC O=C(NNc1ncnc2ccsc12)c1ccc(Cl)cc1 117209 BENLASFUKOEQOZ-UHFFFAOYSA-N 304.762 3.102 50 30 DGGC CCOC(=O)CCCCCC[C@@H](Br)C(=O)OCC 5855195 ZMINIOSEUPWFEA-LLVKDONJSA-N 323.227 3.217 50 30 DGGC CCOC(C[C@@H](CO)CO[Si](C)(C)C(C)(C)C)OCC 504373289 MOAGTDUEMCBCPA-ZDUSSCGKSA-N 306.519 3.406 50 30 DGGC CC(C)(C)/C=N/NC(=O)c1nc(-c2c(F)cccc2Cl)no1 115530 FHRFTBMGNYCDTB-REZTVBANSA-N 324.743 3.291 50 30 DGGC COC(=O)c1sccc1N/C=C(\C#N)C(=O)c1ccoc1C 168158 KIORTQAVGJLKMN-CSKARUKUSA-N 316.338 3.138 50 30 DGGC Cn1c(P(c2ccccc2)c2ccccc2)nc2ccccc21 100498912 GNLBMUIBABBDAV-UHFFFAOYSA-N 316.344 3.332 50 30 DGGC BrCC[C@H]1CC1(Br)Br 196242670 GJVOEYWTKBTDFF-BYPYZUCNSA-N 306.823 3.277 50 30 DGGC CC(C)(C)c1ccc(C(=O)N/N=C(/C(=O)O)c2ccccc2)cc1 103268 ZPGLJVZSDVCYKJ-CAPFRKAQSA-N 324.380 3.203 50 30 DGGC CCCCCc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1 195978392 IYOLXARVDPOJPG-UHFFFAOYSA-N 304.145 3.044 50 30 DGGC COc1ccc(Br)cc1C(=O)[C@H](C)Br 36903540 HYXOJJYSOGSLNK-LURJTMIESA-N 321.996 3.424 50 30 DGGC CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)CBr 113067719 ZIJCVCKVXHYUPU-JTQLQIEISA-N 320.227 3.130 50 30 DGGC O=C1[C@H](Br)CCCN1[C@H]1CCCc2ccccc21 70494590 BZZMEQGCELHUMZ-KGLIPLIRSA-N 308.219 3.450 50 30 DGGC CC(C)[C@H](Br)C(=O)N[C@@H]1CCOc2ccccc21 37389877 BJEONJHYTGUFOZ-YPMHNXCESA-N 312.207 3.046 50 30 DGGC CC(C)[C@@H](Br)C(=O)[C@H](Br)C(C)C 196302106 GQBBHKNQKIAYJT-HTQZYQBOSA-N 300.034 3.395 50 30 DGGC N#CC(NCc1ccc(Cl)cc1)=C1C(=O)c2ccccc2C1=O 100393529 ZPXWYLJQLMSGME-UHFFFAOYSA-N 322.751 3.286 50 30 DGGC CC(C)[C@H](Br)C(=O)N1CCc2sccc2C1 19434399 YSWWPPHXMDNMFW-NSHDSACASA-N 302.237 3.052 50 30 DGGC in-vitro CCN(CC)CCO[Si](CC)(CC)OCCN(CC)CC 195775637 BCQXJMXMLOVQQZ-UHFFFAOYSA-N 318.578 3.185 50 30 DGGC O=C(NN=Cc1c[nH]c2ccccc12)c1ccc2ncccc2c1 254501790 WEJPEBFFNMLZQL-UHFFFAOYSA-N 314.348 3.480 50 30 DGGC COC(=O)c1sccc1N/C=C(\C#N)C(=O)c1ccccc1 2151666 OYIJWHVHSWMSTR-ZRDIBKRKSA-N 312.350 3.237 50 30 DGGC N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21 3137960 DBOFUBZQRADHSA-UHFFFAOYSA-N 318.248 3.332 50 30 DGGC N#CC(=C1SCCS1)S(=O)(=O)c1ccc(Cl)cc1 94815 SWYXRAXZUGBAIH-UHFFFAOYSA-N 317.844 3.286 50 30 DGGC CC(C)(C)OC(=O)NN=Cc1ccc(Br)cc1F 254482625 UWPLZOFFMZJGKF-UHFFFAOYSA-N 317.158 3.447 50 30 DGGC CN1C(=O)CN=C(c2ccccc2)c2cc(N=C=S)ccc21 77301541 LUHGKWXGSZEQRY-UHFFFAOYSA-N 307.378 3.235 50 30 DGGC in-vitro CCNC(=O)c1ccc(C)c(N(CCCl)CCCl)c1 5316667 MEGRETRVTYTRSM-UHFFFAOYSA-N 303.233 3.029 50 30 DGGC CC(C)[C@@H](Br)C(=O)N[C@@H]1CCOc2ccccc21 37389879 BJEONJHYTGUFOZ-DGCLKSJQSA-N 312.207 3.046 50 30 DGGC Cc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl 67673 NCZKNGLTTITNEI-UHFFFAOYSA-N 319.817 3.280 50 30 DGGC CC(C)[C@H](Br)C(=O)[C@H](Br)C(C)C 196302099 GQBBHKNQKIAYJT-OCAPTIKFSA-N 300.034 3.395 50 30 DGGC CCOC(=O)CCCCCC[C@H](Br)C(=O)OCC 5855177 ZMINIOSEUPWFEA-NSHDSACASA-N 323.227 3.217 50 30 DGGC Nc1sc(-c2ccccc2)cc1C(=O)N/N=C/c1ccncc1 160198 ZXORFQYEMHDVRB-RGVLZGJSSA-N 322.393 3.156 50 30 DGGC CCNC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 95719568 OMLPCLNQAATCEG-QMMMGPOBSA-N 311.294 3.125 50 30 DGGC CC(=O)OCCC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O 2265352081 POHPKFJRZXCPDB-LSDHHAIUSA-N 314.498 3.411 50 30 DGGC O=C1c2ccccc2CC[C@@H](I)C1(F)F 1535639585 RSQAOVORQHOMMS-SECBINFHSA-N 322.092 3.254 50 30 DGGC C=C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C 195863984 WUNDBNBGRHLZLU-YVECIDJPSA-N 300.471 3.439 50 30 DGGC O=C1[C@H](Br)CCN1c1ccccc1C(F)(F)F 95883644 JZGPSOHIBDAEBK-MRVPVSSYSA-N 308.097 3.206 50 30 DGGC in-vitro BrCCSCCSCCBr 1999173 BYFDQYYQTOBXJG-UHFFFAOYSA-N 308.104 3.243 50 30 DGGC C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)O[Si](C)(C)C 195782249 MBEDINMZZORSJN-NSHDSACASA-N 321.642 3.009 50 30 DGGC O=C1[C@H](Br)CCN1c1ccc(Cl)c(Cl)c1 82606613 VUXMKBJIESFMLX-SSDOTTSWSA-N 308.990 3.494 50 30 DGGC in-vitro O=C(Cc1ccccc1)NN=Cc1ccc(OC(F)(F)F)cc1 254605882 CUMUUNZCUWKTEI-UHFFFAOYSA-N 322.286 3.278 50 30 DGGC CC(C)(C)OC(=O)N1C[C@H]2CCC[C@H]1[C@@H]2CBr 1535640712 UMUNXGPKVWNSJB-MXWKQRLJSA-N 304.228 3.417 50 30 DGGC CC(C)(C)OC(=O)N1CCC(OCCCBr)CC1 253179479 BIYRDCDTTCFYPO-UHFFFAOYSA-N 322.243 3.188 50 30 DGGC N#CC(=C1SCCCCS1)S(=O)(=O)c1ccccc1 149550 CUPHSJZFOJQLMX-UHFFFAOYSA-N 311.453 3.413 50 30 DGGC CCOC(=O)c1nc(-c2ccccc2)oc1CBr 39319867 AJBDNSCVXVFFTE-UHFFFAOYSA-N 310.147 3.413 50 30 DGGC O=C(NNc1ncnc2sccc12)c1ccc(Cl)cc1 116025 BZOUBPPTULTSBQ-UHFFFAOYSA-N 304.762 3.102 50 30 DGGC N#C/C(=C\c1ccccc1Cl)S(=O)(=O)c1ccccn1 13046397 IMILTVSWJIRXGX-FMIVXFBMSA-N 304.758 3.073 50 30 DGGC CC(=O)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C 195767021 STCHVBTVDSDGFF-UHFFFAOYSA-N 306.475 3.430 50 30 DGGC