smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1cccc2cc(CCCl)c(Cl)nc12 11985654 GWZHYNCJWIUNMR-UHFFFAOYSA-N 254.160 4.232 50 30 CIGC CCCC[C@H](CC)COC(=O)OOC(C)(C)CC 100287012 HTCRKQHJUYBQTK-LBPRGKRZSA-N 260.374 4.476 50 30 CIGC CCCC[C@H](CC)C(=O)OOC(=O)[C@H](CC)CCCC 100071848 ZTFSXSAVDJCOLB-OKILXGFUSA-N 286.412 4.421 50 30 CIGC Cc1ccccc1[C@@H](OCCCl)c1ccccc1 96328174 URQSCBUMDCEIEJ-INIZCTEOSA-N 260.764 4.340 50 30 CIGC FC(F)(F)[C@@H]1CCC[C@@H](CCBr)C1 712971439 BJBSQTXSSWSGHH-JGVFFNPUSA-N 259.109 4.140 50 30 CIGC O=[N+]([O-])c1cc(F)cc(S(F)(F)(F)(F)F)c1 103010470 QGFRRADFAIRRRC-UHFFFAOYSA-N 267.150 4.391 50 30 CIGC CCCc1ccc(C(=O)NNc2ccc(C)cc2C)cc1 151508 ZKEAURUJYWGRPE-UHFFFAOYSA-N 282.387 4.013 50 30 CIGC FC(F)(F)c1cccc([C@@H]2OCCC[C@H]2CCl)c1 92889336 KDGIUQQGEBSGPA-JQWIXIFHSA-N 278.701 4.412 50 30 CIGC CC(C)(C)O[Si](C)(C)[Si](C)(C)OC(C)(C)C 196223318 COSZSAJOKACQOO-UHFFFAOYSA-N 262.542 4.105 50 30 CIGC FC(F)(F)C(F)(F)[C@H](Br)c1ccccc1 58143886 FXTOJERIBSAYFG-SSDOTTSWSA-N 289.041 4.320 50 30 CIGC CCCC[C@@H](Br)c1ccc(C(=O)O)cc1 72232982 GCZURFAHYGLEQT-LLVKDONJSA-N 271.154 4.011 50 30 CIGC O=C=Nc1c(Cl)c(Cl)cc(Cl)c1Cl 2387323 GQWLHPWGYHTUAS-UHFFFAOYSA-N 256.903 4.268 50 30 CIGC CCCCCCCN1C=CC(=CC=C(C#N)C#N)C=C1 8397697 HONHGSAPZGWIEW-UHFFFAOYSA-N 267.376 4.200 50 30 CIGC CCOP(=O)(Cc1ccc(CCl)cc1)OCC 96395068 CQUMASLUBXOYPU-UHFFFAOYSA-N 276.700 4.192 50 30 CIGC N#CC(C#N)=C1SC=C(c2ccc(Cl)cc2)S1 76344 ZKPCZLCMLZKNLF-UHFFFAOYSA-N 276.773 4.377 50 30 CIGC C[C@@H](CBr)c1ccc(C(F)(F)F)cc1 84192472 NROLRFXPGKTGNQ-ZETCQYMHSA-N 267.088 4.204 50 30 CIGC in-vitro N#C/C(=C\c1ccc(F)cc1)c1c[nH]c2ccccc12 68959 DVGACRHRDGVOET-UKTHLTGXSA-N 262.287 4.371 50 30 CIGC CCCCC1(C)OOC(C)(C)CCC(C)(C)OO1 100288545 FZWQMEIJVHBNED-UHFFFAOYSA-N 260.374 4.140 50 30 CIGC BrCC1CCC(c2ccccc2)CC1 85663808 FYQQEXCPRJLYCX-UHFFFAOYSA-N 253.183 4.355 50 30 CIGC Clc1ccc(CCCBr)cc1Cl 60712593 MRRALASFODJNOB-UHFFFAOYSA-N 267.981 4.321 50 30 CIGC Cc1cc2cc(CCCl)c(Cl)nc2cc1C 5592238 LGCBUINZWOECFC-UHFFFAOYSA-N 254.160 4.286 50 30 CIGC Fc1ccc(-c2nc(CCl)co2)cc1C(F)(F)F 43566910 NSPUKWCUHUDQPL-UHFFFAOYSA-N 279.620 4.238 50 30 CIGC O=C(CBr)c1ccc(Cl)c2ccccc12 83179842 MKKGAEKLTOUYOP-UHFFFAOYSA-N 283.552 4.071 50 30 CIGC O=C(Cl)c1sc2cc(F)c(F)cc2c1Cl 34607681 JELLQOMTCZUZKV-UHFFFAOYSA-N 267.083 4.212 50 30 CIGC ClCc1ncc(-c2cc(Cl)ccc2Cl)o1 36903573 IINVJXCBNHQMST-UHFFFAOYSA-N 262.523 4.387 50 30 CIGC C[C@H](Br)c1cccc(OC(F)(F)F)c1 686086573 HMPAHCNDFSKKBN-LURJTMIESA-N 269.060 4.041 50 30 CIGC N#C/C(=C\c1ccccn1)c1cccc(C(F)(F)F)c1 4305816 HQIKPVNJLGVDCY-FMIVXFBMSA-N 274.245 4.165 50 30 CIGC FC(F)(F)c1ccc([C@@H]2OCCC[C@H]2CCl)cc1 92889352 QZNZCJZJOFBFID-JQWIXIFHSA-N 278.701 4.412 50 30 CIGC O=C(Cl)c1sc2c(F)ccc(F)c2c1Cl 95935323 YPIYSSMYLDXWFB-UHFFFAOYSA-N 267.083 4.212 50 30 CIGC Fc1cc(C(F)(F)F)c(CBr)cc1Cl 575722908 WJGBPJXIAFMSTL-UHFFFAOYSA-N 291.469 4.393 50 30 CIGC COc1ccc(-c2ccc(CCBr)cc2)cc1 71423662 GYQJCLOUEPTEBZ-UHFFFAOYSA-N 291.188 4.300 50 30 CIGC N#Cc1cccc(Oc2ccc(CBr)cc2)c1 218062001 NYKGGAIIGFKKFL-UHFFFAOYSA-N 288.144 4.245 50 30 CIGC Cc1c(Cl)cc(CBr)cc1Br 575677716 NPVHVODNOIJRCY-UHFFFAOYSA-N 298.405 4.306 50 30 CIGC Cc1c(CBr)ccc(Cl)c1Cl 307245810 WNTXNRXCJDOPBJ-UHFFFAOYSA-N 253.954 4.197 50 30 CIGC C[C@H](N)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 197734930 JHQZPNRCKJQIFZ-NSHDSACASA-N 251.446 4.090 50 30 CIGC N#CC(=C1SCCS1)c1ccc(Cl)cc1 74416 OHXLOOBETQNUOV-UHFFFAOYSA-N 253.779 4.012 50 30 CIGC N#CC(C#N)=Cc1cccn1-c1cc(Cl)cc(Cl)c1 108791 BAOHJSNMIKPWQA-UHFFFAOYSA-N 288.137 4.215 50 30 CIGC C[C@@H](Br)c1cccc(OC(F)(F)F)c1 686086575 HMPAHCNDFSKKBN-ZCFIWIBFSA-N 269.060 4.041 50 30 CIGC CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(CCN=[N+]=[N-])[C@@H]1O 2265351660 GANAESWTLDYSRE-OLZOCXBDSA-N 297.475 4.158 50 30 CIGC CCc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1 153261 NMLAZSUSSCSAPH-UHFFFAOYSA-N 296.414 4.303 50 30 CIGC CCOc1ccc2nc(Cl)c(CCCCl)cc2c1 32099347 HPJPNDYPWRSFAK-UHFFFAOYSA-N 284.186 4.458 50 30 CIGC COc1ccc2cc(CCCCl)c(Cl)nc2c1 32099357 KPKZJCZJPRMHIT-UHFFFAOYSA-N 270.159 4.068 50 30 CIGC C#Cc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1 198021851 RKMGHUDKIRMVKK-UHFFFAOYSA-N 262.425 4.061 50 30 CIGC O=C=Nc1ccc(-c2sccc2Br)cc1 12370820 IJSMFPXVQGIORY-UHFFFAOYSA-N 280.146 4.145 50 30 CIGC CCCCCC[C@@H](Br)CBr 1665964 BJJLJKYBNCPTQS-MRVPVSSYSA-N 272.024 4.115 50 30 CIGC C[C@H](Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 35658395 LEBLICFRYNMLEU-YFKPBYRVSA-N 277.538 4.343 50 30 CIGC in-vitro CC(C)(C#N)c1cc(CCl)cc(C(C)(C)C#N)c1 59768372 HSNGPKBBTHINTG-UHFFFAOYSA-N 260.768 4.028 50 30 CIGC Cc1cc(Br)c(CCl)cc1Cl 306490550 NAHSZFYKAANQAU-UHFFFAOYSA-N 253.954 4.150 50 30 CIGC Clc1ccc(OCC2CC2)c(CBr)c1 36765504 MHXIGPSOIUAVBU-UHFFFAOYSA-N 275.573 4.024 50 30 CIGC in-vitro COc1ccc(-c2ccc(CBr)cc2)cc1 335896 ZTAQCLNVZZFRRG-UHFFFAOYSA-N 277.161 4.257 50 30 CIGC Clc1c(OCCBr)ccc2ccccc12 2024193 QRTPNQIAQVBIGI-UHFFFAOYSA-N 285.568 4.267 50 30 CIGC CCCCCCCCC(=C(C)C)[C@@H]1CC(=O)OC1=O 200266289 UQQHQORGQYLWON-AWEZNQCLSA-N 266.381 4.163 50 30 CIGC CC(C)(C)[Si](C)(C)OCC(=O)c1ccc(F)cc1 198714934 HNOWIUIMFRYRKI-UHFFFAOYSA-N 268.404 4.030 50 30 CIGC Cl[C@H](c1ccccc1)c1nc(-c2ccccc2)no1 36720243 NPDCXSSTOLDJSL-CYBMUJFWSA-N 270.719 4.065 50 30 CIGC C[C@H](Br)c1ccccc1OC(F)(F)F 686086616 SIDPEHNTQROBRW-LURJTMIESA-N 269.060 4.041 50 30 CIGC BrCc1coc2ccc(Br)cc12 137769793 ZLEKQLZLNIZZAX-UHFFFAOYSA-N 289.954 4.090 50 30 CIGC Fc1ccccc1Oc1ccc(CCl)cc1F 20436785 HBFMKZAKGYXTAB-UHFFFAOYSA-N 254.663 4.496 50 30 CIGC in-vitro ClCCN1Cc2ccccc2CCc2ccccc2C1 95811357 QWKQIPXLIGROLQ-UHFFFAOYSA-N 285.818 4.026 50 30 CIGC CCCCC[C@H](Cl)CC(Cl)(Cl)C(=O)OCC 5820847 JPICAFMHFSTXNT-VIFPVBQESA-N 289.630 4.301 50 30 CIGC BrCc1cccc2c(Br)cccc12 96034530 UYYBCDKQJMABTJ-UHFFFAOYSA-N 299.993 4.497 50 30 CIGC CCCC[C@@H](CC)C(=O)OOC(=O)[C@H](CC)CCCC 100071853 ZTFSXSAVDJCOLB-ZIAGYGMSSA-N 286.412 4.421 50 30 CIGC CC(C)Oc1ccc(CBr)cc1Cl 43490473 BNAGHSMTOIWQIF-UHFFFAOYSA-N 263.562 4.022 50 30 CIGC Fc1ccc([C@@H](Br)c2ccccc2)cc1 57368518 XLKLYJMIRXCQEJ-ZDUSSCGKSA-N 265.125 4.310 50 30 CIGC C[C@H](Br)c1cc(Br)ccc1F 132110744 XRHIXEGYDZHJOS-YFKPBYRVSA-N 281.950 4.044 50 30 CIGC O=[P@@](Cl)(NC1CCCCC1)Oc1ccccc1 105317075 NBTIWQMBRUCIPS-QGZVFWFLSA-N 273.700 4.335 50 30 CIGC ClCc1ncc(-c2cccc(Cl)c2Cl)o1 83553885 QJWFNWBQBFVQMN-UHFFFAOYSA-N 262.523 4.387 50 30 CIGC C[C@H](CBr)C12CC3CC(CC(C3)C1)C2 85663539 KKWYVJXQQUOYRU-HIVKSXORSA-N 257.215 4.234 50 30 CIGC BrC[C@H](c1ccccc1)C1CCCC1 49783523 DTTKSLMMZQTFGD-CYBMUJFWSA-N 253.183 4.355 50 30 CIGC Clc1csc2c(CBr)cccc12 34364024 XGGSRBQIYRWZNL-UHFFFAOYSA-N 261.571 4.450 50 30 CIGC CCCCCCS/C(=N/C#N)SCCl 141734342 DZFMDUZPMOHRNH-XFXZXTDPSA-N 250.820 4.066 50 30 CIGC Fc1ccc([C@H](Br)c2ccccc2)cc1 57368520 XLKLYJMIRXCQEJ-CYBMUJFWSA-N 265.125 4.310 50 30 CIGC ClCCCCc1c[nH]c2ccc(Br)cc12 209791948 HUOHIMOWJILICC-UHFFFAOYSA-N 286.600 4.492 50 30 CIGC C[C@H](Br)c1cc(Br)c(F)cc1F 306148518 CILPFKVLJFXECC-BYPYZUCNSA-N 299.940 4.183 50 30 CIGC Cc1cccc2cc(CCCCl)c(Cl)nc12 32099362 YLULXVPJZVNWGC-UHFFFAOYSA-N 254.160 4.368 50 30 CIGC Clc1ccccc1C(Br)Br 111884372 HHYMMXLWYMUAAU-UHFFFAOYSA-N 284.378 4.128 50 30 CIGC Clc1cc(CBr)cc(CBr)c1 114255784 XZHUMKMJIWMDNH-UHFFFAOYSA-N 298.405 4.130 50 30 CIGC N#C/C(=C\c1ccc(Cl)cc1)c1ccc(O)cc1 92442 VMBXJRBDQDQQPI-UKTHLTGXSA-N 255.704 4.110 50 30 CIGC Fc1cccc(-c2ccc(CBr)cc2)c1 584614019 KOWOTSMQGLEODL-UHFFFAOYSA-N 265.125 4.388 50 30 CIGC BrCCc1ccc(C#Cc2ccccc2)cc1 2265356060 DPCJRDIKADSVOQ-UHFFFAOYSA-N 285.184 4.024 50 30 CIGC COc1ccc(C(C)(C)C[C@H](C)Br)cc1 82817728 ALNYFKGLSQUWJZ-JTQLQIEISA-N 271.198 4.146 50 30 CIGC Fc1ccccc1COc1ccc(CCl)cc1 21801798 HSVUZTDZPJRKDH-UHFFFAOYSA-N 250.700 4.144 50 30 CIGC CCCC[C@H](Br)c1ccc(C(=O)O)cc1 72232981 GCZURFAHYGLEQT-NSHDSACASA-N 271.154 4.011 50 30 CIGC Clc1cccc(CBr)c1CBr 59061296 MJKWKYYKPQSZGF-UHFFFAOYSA-N 298.405 4.130 50 30 CIGC C[C@@H](Br)c1ccc(F)c(Br)c1 61689563 LPRSUZNOCVIJGK-RXMQYKEDSA-N 281.950 4.044 50 30 CIGC CN(N(C)P(Cl)Cl)P(Cl)Cl 102430741 QUBGOLWADXVEJJ-UHFFFAOYSA-N 261.844 4.174 50 30 CIGC O=[N+]([O-])c1ccc([C@H](Cl)C(Cl)(Cl)Cl)cc1 82124013 MIXBGFATKJDDOP-ZETCQYMHSA-N 288.945 4.245 50 30 CIGC O=[N+]([O-])c1ccc([C@@H](Cl)C(Cl)(Cl)Cl)cc1 82124014 MIXBGFATKJDDOP-SSDOTTSWSA-N 288.945 4.245 50 30 CIGC N#C/C=C/c1ccc(Br)cc1C(F)(F)F 4322816 KFHJEZXLORREAD-OWOJBTEDSA-N 276.055 4.005 50 30 CIGC C[C@H](Br)c1ccc(Br)cc1F 132111163 NDIPFQZUPDNSAN-YFKPBYRVSA-N 281.950 4.044 50 30 CIGC O=C(Nc1nccc2ccc(CCl)cc12)c1ccccc1 21304132 CAQOQKZGFZBJLU-UHFFFAOYSA-N 296.757 4.226 50 30 CIGC C[C@H](Br)c1cccc(Cl)c1Cl 148353988 XBIWVFRMNYUYFP-YFKPBYRVSA-N 253.954 4.449 50 30 CIGC CCCOc1ccc(Cl)cc1CBr 36895240 FMELJNQFGOOMCM-UHFFFAOYSA-N 263.562 4.024 50 30 CIGC Cc1ccc2cc(CCCCl)c(Cl)nc2c1 32099358 ZMNLDDNQMDEWBQ-UHFFFAOYSA-N 254.160 4.368 50 30 CIGC CSC(SC)=C(C#N)c1nc2ccccc2s1 4323989 XSLRPBDCUWYKEC-UHFFFAOYSA-N 278.427 4.214 50 30 CIGC CSc1sccc1/C=C(/C#N)C(=O)c1cccs1 4389967 BVLBYOMNVKWLEJ-YFHOEESVSA-N 291.422 4.321 50 30 CIGC CC(C)(C)c1ccc(NC(=O)C(Cl)Cl)c(Cl)c1 76144 AQSLSZALQUFSJN-UHFFFAOYSA-N 294.609 4.380 50 30 CIGC O=P(N=C=S)(Oc1ccccc1)Oc1ccccc1 1680386 QYGWFFSAYBRMHH-UHFFFAOYSA-N 291.268 4.355 50 30 CIGC Cc1cc(C)c2nc(Cl)c(CCCl)cc2c1 11985626 ZEZMZEDNHJQDNF-UHFFFAOYSA-N 254.160 4.286 50 30 CIGC C[C@H](CBr)c1ccc(C(F)(F)F)cc1 84192474 NROLRFXPGKTGNQ-SSDOTTSWSA-N 267.088 4.204 50 30 CIGC in-vitro Fc1ccc([C@@H](Br)c2ccccc2)cc1F 58143761 PKLJGOAIDLCXEP-ZDUSSCGKSA-N 283.115 4.449 50 30 CIGC in-vitro Fc1ccc2nc(Cl)c(CCCCl)cc2c1 32099349 CZVZBUGCEREZIC-UHFFFAOYSA-N 258.123 4.199 50 30 CIGC C=C1C[C@@](C)(Cl)[C@@H](Br)C[C@H]1/C=C/Cl 111481815 PHJVUZPRYAGZPD-DXQGWMINSA-N 284.024 4.466 50 30 CIGC C[C@@H](Br)c1ccc(Br)c(F)c1 307754265 YRCIQSHTWFPCPI-RXMQYKEDSA-N 281.950 4.044 50 30 CIGC CCCCCC[C@H](Br)CBr 2048304 BJJLJKYBNCPTQS-QMMMGPOBSA-N 272.024 4.115 50 30 CIGC O=P(F)(Nc1ccccc1)Nc1ccccc1 95704156 FPLZAICQNAEAND-UHFFFAOYSA-N 250.213 4.288 50 30 CIGC C[Si](C)(C)O[C@H](C#N)c1ccc(Cl)c(Cl)c1 196768437 XIWMJWQCARVYKW-LLVKDONJSA-N 274.223 4.410 50 30 CIGC N#C/C(=C\c1sccc1Oc1ccccc1)C(=O)C1CC1 149669 BHCIJPVEFDVCTL-JLHYYAGUSA-N 295.363 4.426 50 30 CIGC FC(F)(F)C(F)(F)[C@@H](Br)c1ccccc1 58143878 FXTOJERIBSAYFG-ZETCQYMHSA-N 289.041 4.320 50 30 CIGC FC(F)(F)c1cccc(-c2cnc(CCl)o2)c1 36903571 NPWOKIXTYGLBDV-UHFFFAOYSA-N 261.630 4.099 50 30 CIGC C[C@H](Br)c1ccc(F)c(Br)c1 61689562 LPRSUZNOCVIJGK-YFKPBYRVSA-N 281.950 4.044 50 30 CIGC CC(C)N(CCCCBr)Cc1ccccc1 40990294 UEGSBJXNWSKHFH-UHFFFAOYSA-N 284.241 4.072 50 30 CIGC in-vitro C[Si](C)(C)OC(=O)CCCCCCOc1ccccc1 195807433 BUQIAXHUOZTJBQ-UHFFFAOYSA-N 294.467 4.394 50 30 CIGC ClP(Cl)OCC(Cl)(Cl)Cl 100373996 JDQSRCYXSKTAIX-UHFFFAOYSA-N 250.276 4.078 50 30 CIGC CCCCOOP(=O)(OCCCC)OOCCCC 299754747 OACQRZRIJWIBEP-UHFFFAOYSA-N 298.316 4.408 50 30 CIGC CCc1sc(C(C)(C)C)cc1NC(=O)C(Cl)Cl 82284 YVQPRPOXSPCWFH-UHFFFAOYSA-N 294.247 4.350 50 30 CIGC CC(C)(C)[Si](C)(C)OCCn1ccc2ccc(N)cc21 201081375 UJHDNCJBQLNELY-UHFFFAOYSA-N 290.483 4.245 50 30 CIGC CC[C@@H](Br)c1cc(Cl)cc2c1OCC2 123039206 OSRCYWGQHMZVFO-SNVBAGLBSA-N 275.573 4.121 50 30 CIGC CC(C)OC(=O)C(C)(C)CCO[Si](C)(C)C(C)(C)C 238857267 YMBBKEHYJQIRPN-UHFFFAOYSA-N 288.504 4.376 50 30 CIGC C[C@@H](Br)c1ccc(F)cc1C(F)(F)F 306479283 HYQUEXGKWUNVFE-RXMQYKEDSA-N 271.051 4.300 50 30 CIGC Fc1ccc(-c2cccc(CBr)c2)cc1 206655544 SHODFIMNXVBIAV-UHFFFAOYSA-N 265.125 4.388 50 30 CIGC FC(F)(F)[C@H]1CCC[C@H](CCBr)C1 712971440 BJBSQTXSSWSGHH-SFYZADRCSA-N 259.109 4.140 50 30 CIGC Cc1ccc([C@@H](C)Br)cc1Br 59430912 AQPXMAXXICECCZ-SSDOTTSWSA-N 277.987 4.213 50 30 CIGC CC(C)(C)[Si](C)(C)OCc1cc(CN)ccc1Cl 203923387 JSZCCOCTUUPOEP-UHFFFAOYSA-N 285.891 4.321 50 30 CIGC BrCCc1ccc(OCc2ccccc2)cc1 39293010 MKOBEVFCFUMCGG-UHFFFAOYSA-N 291.188 4.203 50 30 CIGC CCCC[C@H](CC)C(=O)OOC(=O)[C@@H](CC)CCCC 100071851 ZTFSXSAVDJCOLB-KBPBESRZSA-N 286.412 4.421 50 30 CIGC CC(C)(C)[Si](C)(C)O[C@H]1CCC=C(CCN=[N+]=[N-])[C@@H]1O 2265351664 GANAESWTLDYSRE-STQMWFEESA-N 297.475 4.158 50 30 CIGC CC(C)(C)[C@H](CCl)C(=O)[C@@H](CCl)C(C)(C)C 201081144 UWOAOCFWHMESHF-NXEZZACHSA-N 267.240 4.358 50 30 CIGC O=C(CCl)Nc1ccc(N=Nc2ccccc2)cc1 254349750 GZRJHDPHDCWZFA-UHFFFAOYSA-N 273.723 4.279 50 30 CIGC C=C[C@@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1 195889393 ZJRWETIMDZVOLM-CQSZACIVSA-N 264.441 4.290 50 30 CIGC BrCc1cccc(COc2ccccc2)c1 12370746 UONABZUHSAKZQY-UHFFFAOYSA-N 277.161 4.161 50 30 CIGC CC(=O)c1ccccc1O[Si](C)(C)C(C)(C)C 195920721 ZXWKAVDVVGLEGO-UHFFFAOYSA-N 250.414 4.273 50 30 CIGC COc1ccc(C(C)(C)C[C@@H](C)Br)cc1 82817729 ALNYFKGLSQUWJZ-SNVBAGLBSA-N 271.198 4.146 50 30 CIGC Fc1ccc([C@@H]2CCC[C@H](Br)C2)cc1F 70794763 KXMLSCBTTOPGBG-SCZZXKLOSA-N 275.136 4.386 50 30 CIGC COc1ccc(CCl)cc1SC(F)(F)F 71373275 NLKIAAIGKSLCQZ-UHFFFAOYSA-N 256.676 4.046 50 30 CIGC in-vitro C[C@@H](CBr)C12CC3CC(CC(C3)C1)C2 85663538 KKWYVJXQQUOYRU-TWJXAIAZSA-N 257.215 4.234 50 30 CIGC Cc1ccc(Oc2ccsc2C=C(C#N)C#N)cc1 149462 UJIKFGDEXRQKSA-UHFFFAOYSA-N 266.325 4.279 50 30 CIGC BrCc1ccc2cccc(Br)c2c1 137113632 ZHUIAQBJTUKDST-UHFFFAOYSA-N 299.993 4.497 50 30 CIGC Clc1ccc2c(CBr)csc2c1 149597252 GKCHOUOBOFDXSI-UHFFFAOYSA-N 261.571 4.450 50 30 CIGC CC(C)(C)C(=O)/C(C#N)=C/Nc1cc(Cl)cc(Cl)c1 100073179 HAYWKENEHZHUAN-CMDGGOBGSA-N 297.185 4.428 50 30 CIGC Cn1cccc1/C(C#N)=C/c1cccc2ccccc12 4371317 PGJKZVOSXMMFKC-FOWTUZBSSA-N 258.324 4.242 50 30 CIGC Cc1ccccc1[C@H](Br)c1ccccc1 58143847 CDVGBAUAPNIFPX-CQSZACIVSA-N 261.162 4.479 50 30 CIGC CS/C(Nc1ccc(C)c(F)c1)=C(\C#N)c1ccccn1 13467563 HUJXEWIOXJICAA-DTQAZKPQSA-N 299.374 4.196 50 30 CIGC N#Cc1ccc(Oc2ccc(CBr)cc2)cc1 148078843 IQTBCAVNXYNWIQ-UHFFFAOYSA-N 288.144 4.245 50 30 CIGC C[Si](C)(C)OCCCCCCO[Si](C)(C)C 195754630 SMGWFAZNSMLUHZ-UHFFFAOYSA-N 262.542 4.250 50 30 CIGC Cc1ccccc1[C@@H](Br)c1ccccc1 58143856 CDVGBAUAPNIFPX-AWEZNQCLSA-N 261.162 4.479 50 30 CIGC CCCCN(N=O)C(=O)Oc1cccc2ccccc12 5513550 UBTGLESVPRABPB-UHFFFAOYSA-N 272.304 4.122 50 30 CIGC C[Si](C)(C)O[C@@H](C#N)c1ccc(Cl)c(Cl)c1 196768427 XIWMJWQCARVYKW-NSHDSACASA-N 274.223 4.410 50 30 CIGC Cc1ccc([C@H](C)Br)cc1Br 59430913 AQPXMAXXICECCZ-ZETCQYMHSA-N 277.987 4.213 50 30 CIGC C[C@H](Br)Cc1ccccc1C(F)(F)F 63044250 IFGNWZNDTMKVSF-ZETCQYMHSA-N 267.088 4.031 50 30 CIGC Cc1ccc2nc(Cl)c(CCCCl)cc2c1 32099351 FUCNKXVNUNJMEO-UHFFFAOYSA-N 254.160 4.368 50 30 CIGC C[C@H](Br)c1ccc(Br)c(F)c1 307754266 YRCIQSHTWFPCPI-YFKPBYRVSA-N 281.950 4.044 50 30 CIGC N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 160883 QWHOVXNUODYOKP-NTUHNPAUSA-N 284.702 4.312 50 30 CIGC CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1 142131 YMQIDUJLGLSQAL-DHZHZOJOSA-N 281.277 4.228 50 30 CIGC CC[C@H](Br)c1cc(Cl)cc2c1OCC2 123038983 OSRCYWGQHMZVFO-JTQLQIEISA-N 275.573 4.121 50 30 CIGC C[C@H](Br)c1cc(Cl)ccc1Cl 57368674 KCQSVHIDXSWAKF-YFKPBYRVSA-N 253.954 4.449 50 30 CIGC ClC(/C=N/c1ccccc1)/C=N/c1ccccc1 103629499 HTYAZROLRVKJND-JYFOCSDGSA-N 256.736 4.399 50 30 CIGC ClCCc1cc2cc(Cl)ccc2nc1Cl 11985642 VPSKDOYRSRRTGN-UHFFFAOYSA-N 260.551 4.323 50 30 CIGC FC(F)(F)[C@@H]1CCC[C@H](CCBr)C1 712971436 BJBSQTXSSWSGHH-HTQZYQBOSA-N 259.109 4.140 50 30 CIGC ClCc1cc(Br)c2ccccc2c1 238526850 JDASKBNBZDGJKX-UHFFFAOYSA-N 255.542 4.341 50 30 CIGC CCCCC[C@H]1CC[C@H](C2=C(B(O)O)CCCC2)CC1 257352543 LXAMIHHBAAXUBB-SHTZXODSSA-N 278.245 4.256 50 30 CIGC C[C@@H](Cl)COc1ccccc1Cc1ccccc1 33609441 DHZSNIQVQQXCQB-CYBMUJFWSA-N 260.764 4.284 50 30 CIGC CSC(Sc1ccc(Cl)cc1)=C(C#N)C#N 15444239 XJBXLNWHSSYYJK-UHFFFAOYSA-N 266.778 4.054 50 30 CIGC Fc1ccc2cc(CCCCl)c(Cl)nc2c1 32099356 PDSOFMJCDIUSAU-UHFFFAOYSA-N 258.123 4.199 50 30 CIGC BrC[C@@H](c1ccccc1)C1CCCC1 49783524 DTTKSLMMZQTFGD-ZDUSSCGKSA-N 253.183 4.355 50 30 CIGC [C-]#[N+]C(=C/c1ccc(O)cc1)/C(=C\c1ccc(O)cc1)[N+]#[C-] 100461974 YBMVKDUTYAGKEW-JYFOCSDGSA-N 288.306 4.318 50 30 CIGC CSC(Sc1cccc(Cl)c1)=C(C#N)C#N 15444237 CANYQQYSCBFNGV-UHFFFAOYSA-N 266.778 4.054 50 30 CIGC N#Cc1cccc(-c2cccc(CBr)c2)c1 34552853 ZCLSEGXBWAWWPV-UHFFFAOYSA-N 272.145 4.120 50 30 CIGC Cc1ccccc1[C@H](OCCCl)c1ccccc1 96328173 URQSCBUMDCEIEJ-MRXNPFEDSA-N 260.764 4.340 50 30 CIGC Clc1cccc2scc(CBr)c12 150266674 SWCYQEDINMUYPH-UHFFFAOYSA-N 261.571 4.450 50 30 CIGC FC(F)/C(Cl)=N/c1ccccc1CBr 198621707 DAXMATQKAVRCHU-ZSOIEALJSA-N 282.515 4.115 50 30 CIGC Cc1c(Cl)ccc(CBr)c1Cl 306920644 NEKCSVURSZPIDB-UHFFFAOYSA-N 253.954 4.197 50 30 CIGC FC(F)(F)C[C@H](Br)c1ccccc1 58143828 AYKUFAYXLNQFMV-QMMMGPOBSA-N 253.061 4.075 50 30 CIGC C[C@@H](Br)c1ccccc1OC(F)(F)F 686086617 SIDPEHNTQROBRW-ZCFIWIBFSA-N 269.060 4.041 50 30 CIGC Br[C@@H]1CC[C@@H](Br)c2ccccc21 100093749 ALQRYBAMWLAYNB-NXEZZACHSA-N 289.998 4.352 50 30 CIGC Cl[C@@H](c1ccccc1)c1nc(-c2ccccc2)no1 36720244 NPDCXSSTOLDJSL-ZDUSSCGKSA-N 270.719 4.065 50 30 CIGC FC(F)(F)C[C@@H](Br)c1ccccc1 58143820 AYKUFAYXLNQFMV-MRVPVSSYSA-N 253.061 4.075 50 30 CIGC Fc1ccc([C@H](Br)c2ccccc2)cc1F 58143766 PKLJGOAIDLCXEP-CYBMUJFWSA-N 283.115 4.449 50 30 CIGC in-vitro CCN(CCCl)Cc1csc2ccc(F)cc12 329944 BFNAUGCPKFJXFD-UHFFFAOYSA-N 271.788 4.101 50 30 CIGC FC(F)(F)Oc1ccc(Cl)c(CBr)c1 238534776 DHXYRXZGGCHUEH-UHFFFAOYSA-N 289.478 4.134 50 30 CIGC Br[C@H]1CC[C@@H](Br)c2ccccc21 100049892 ALQRYBAMWLAYNB-AOOOYVTPSA-N 289.998 4.352 50 30 CIGC COc1ccc(/C=C(\C#N)c2cccc(Cl)c2)c(OC)c1 160890 COESQJXIUTZPMA-RIYZIHGNSA-N 299.757 4.421 50 30 CIGC CCCCC[C@@H](Cl)CC(Cl)(Cl)C(=O)OCC 5820983 JPICAFMHFSTXNT-SECBINFHSA-N 289.630 4.301 50 30 CIGC CC(C)(C)[C@@H](CCl)C(=O)[C@H](CCl)C(C)(C)C 201081184 UWOAOCFWHMESHF-UWVGGRQHSA-N 267.240 4.358 50 30 CIGC CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 101052 MGVNRRKWHOSPTN-UXBLZVDNSA-N 298.169 4.242 50 30 CIGC C[C@@H](Br)c1cc(Cl)ccc1Cl 57368675 KCQSVHIDXSWAKF-RXMQYKEDSA-N 253.954 4.449 50 30 CIGC CCCCO[Si](C)(OCCCC)OCCCC 195764943 GYZQBXUDWTVJDF-UHFFFAOYSA-N 262.466 4.005 50 30 CIGC CCCCCCCCC(=C(C)C)[C@H]1CC(=O)OC1=O 200266320 UQQHQORGQYLWON-CQSZACIVSA-N 266.381 4.163 50 30 CIGC CC(C)(C)[C@H](CCl)C(=O)[C@H](CCl)C(C)(C)C 201081109 UWOAOCFWHMESHF-AOOOYVTPSA-N 267.240 4.358 50 30 CIGC C[C@@H](Br)c1cc(Br)c(F)cc1F 306148519 CILPFKVLJFXECC-SCSAIBSYSA-N 299.940 4.183 50 30 CIGC C[C@@H](Br)Cc1ccccc1C(F)(F)F 63044251 IFGNWZNDTMKVSF-SSDOTTSWSA-N 267.088 4.031 50 30 CIGC Cc1cc(C(C)(C)C)c(O)c(C)c1CBr 38656534 FWQNVJNDLOHEOS-UHFFFAOYSA-N 271.198 4.201 50 30 CIGC ClCc1csc2ccc(Br)cc12 4277349 ZIOALKCKGFEWMX-UHFFFAOYSA-N 261.571 4.403 50 30 CIGC Cc1ccc(C)c(/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1 6070552 SUCPQQDDIXAJJR-XNTDXEJSSA-N 278.311 4.276 50 30 CIGC CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(CCN=[N+]=[N-])[C@H]1O 2265351659 GANAESWTLDYSRE-CHWSQXEVSA-N 297.475 4.158 50 30 CIGC C[C@@H](Br)c1ccc(F)cc1Br 231119715 IPVFCUMCEKRFMP-RXMQYKEDSA-N 281.950 4.044 50 30 CIGC CCc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1 147716 VXNPYUJCCSWBOE-UHFFFAOYSA-N 282.387 4.129 50 30 CIGC Cc1ccc(NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C 152118 NRWRBBVGFSSTGL-UHFFFAOYSA-N 296.414 4.358 50 30 CIGC C[C@H](Br)c1ccc(F)cc1Br 231119718 IPVFCUMCEKRFMP-YFKPBYRVSA-N 281.950 4.044 50 30 CIGC N#C/C(=C\c1ccco1)C(=O)c1cccc(C(F)(F)F)c1 4350449 XSQJWBCAHOGLOQ-DHZHZOJOSA-N 291.228 4.088 50 30 CIGC C[C@@H](Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1 35206095 IOUVJSICIWPDCH-RXMQYKEDSA-N 277.538 4.343 50 30 CIGC in-vitro CC(C)(C)[Si](C)(C)Oc1ccc2nc(N)sc2c1 199766304 JHQJTIIYVDDSEN-UHFFFAOYSA-N 280.469 4.263 50 30 CIGC C[C@@H](Br)c1cc(Br)ccc1F 132110942 XRHIXEGYDZHJOS-RXMQYKEDSA-N 281.950 4.044 50 30 CIGC CCc1ccc2cc(CCCl)c(Cl)nc2c1 32099341 JBRADVDITOJYFT-UHFFFAOYSA-N 254.160 4.232 50 30 CIGC CCc1ccc2nc(Cl)c(CCCl)cc2c1 11985657 TZQOXJSXWXQLAR-UHFFFAOYSA-N 254.160 4.232 50 30 CIGC BrCc1ccc(COc2ccccc2)cc1 12370754 CMTXXSMJSHMITF-UHFFFAOYSA-N 277.161 4.161 50 30 CIGC C[C@H](Cl)COc1ccccc1Cc1ccccc1 33609443 DHZSNIQVQQXCQB-ZDUSSCGKSA-N 260.764 4.284 50 30 CIGC CCC=CCCCCCCCC[C@@H]1CC(=O)OC1=O 2265369534 AMEIILZCUWMPEV-CQSZACIVSA-N 266.381 4.163 50 30 CIGC CCCC[C@@H](CC)COC(=O)OOC(C)(C)CC 2387343 HTCRKQHJUYBQTK-GFCCVEGCSA-N 260.374 4.476 50 30 CIGC Cc1ccc(C)c2nc(Cl)c(CCCl)cc12 11985625 NKOLGUNGNROCGY-UHFFFAOYSA-N 254.160 4.286 50 30 CIGC N#C/C(=C\c1cccnc1)c1cccc(C(F)(F)F)c1 138204 NLBJPYVNPDVECX-NTUHNPAUSA-N 274.245 4.165 50 30 CIGC CC(C)(OO)c1ccc2cc(C(C)(C)OO)ccc2c1 137313762 AFPSJXJNWUOEGK-UHFFFAOYSA-N 276.332 4.289 50 30 CIGC O=C(Cl)/C(=C(/NCl)c1ccccc1)c1ccccc1 35569475 BGTBBBFTOBFVIR-BUHFOSPRSA-N 292.165 4.064 50 30 CIGC Cc1c(C)c(CCl)c(C)c(C)c1Br 196539595 DIXLGKHMRAJXCZ-UHFFFAOYSA-N 261.590 4.422 50 30 CIGC C[C@@H](Br)c1c(Cl)cccc1Cl 113582380 DJMZTIZUMOEJMN-RXMQYKEDSA-N 253.954 4.449 50 30 CIGC O=C(Cl)Oc1cc(Cl)c(Cl)cc1Cl 5783821 ZDCIHNWVXROPMN-UHFFFAOYSA-N 259.903 4.384 50 30 CIGC Cc1cc(Br)c(CBr)cc1Cl 306413029 MZUDCZWSYKYHKI-UHFFFAOYSA-N 298.405 4.306 50 30 CIGC C[C@H](Br)c1ccc(F)cc1C(F)(F)F 306479285 HYQUEXGKWUNVFE-YFKPBYRVSA-N 271.051 4.300 50 30 CIGC Clc1cc(CBr)c2ccccc2c1 60009113 CSZQDQGTJQKYDF-UHFFFAOYSA-N 255.542 4.388 50 30 CIGC Br[C@H]1CC[C@H](Br)c2ccccc21 100093744 ALQRYBAMWLAYNB-UWVGGRQHSA-N 289.998 4.352 50 30 CIGC C[C@@H](Br)c1cccc(Cl)c1Cl 148353807 XBIWVFRMNYUYFP-RXMQYKEDSA-N 253.954 4.449 50 30 CIGC N#Cc1ccccc1Oc1ccc(CBr)cc1 218070949 LBLUBNJDUGRCQX-UHFFFAOYSA-N 288.144 4.245 50 30 CIGC Fc1ccccc1COc1ccc(CBr)cc1 36894671 DEOCIELKSLVREY-UHFFFAOYSA-N 295.151 4.300 50 30 CIGC C[C@H](Cl)c1nnc(-c2ccc(Cl)cc2Cl)o1 35206094 IOUVJSICIWPDCH-YFKPBYRVSA-N 277.538 4.343 50 30 CIGC in-vitro Cc1cc(Cl)c(CCl)cc1Br 575677416 LNRXPDUDLFKNAZ-UHFFFAOYSA-N 253.954 4.150 50 30 CIGC C[C@H](Br)c1c(Cl)cccc1Cl 113582384 DJMZTIZUMOEJMN-YFKPBYRVSA-N 253.954 4.449 50 30 CIGC FC(F)(F)c1ccccc1-c1nc(CCl)co1 37933875 BSPHSJDYNMUDNQ-UHFFFAOYSA-N 261.630 4.099 50 30 CIGC N#C/C(=C\c1cccs1)C(=O)c1ccccc1Cl 4322793 ZTBBBQXDOCJHPD-CSKARUKUSA-N 273.744 4.191 50 30 CIGC CC(C)(C)[Si](C)(C)Oc1cccc2c1CC[C@@H]2O 202412055 MIOUJDQKLNIETA-ZDUSSCGKSA-N 264.441 4.050 50 30 CIGC O=[P@](Cl)(NC1CCCCC1)Oc1ccccc1 105317077 NBTIWQMBRUCIPS-KRWDZBQOSA-N 273.700 4.335 50 30 CIGC ClCc1cc2cccc(Br)c2s1 514253616 PVIXHJLJTMDRHZ-UHFFFAOYSA-N 261.571 4.403 50 30 CIGC CC(C)(C)[Si](C)(C)O[C@H]1CCC=C(CCN=[N+]=[N-])[C@H]1O 2265351662 GANAESWTLDYSRE-QWHCGFSZSA-N 297.475 4.158 50 30 CIGC C[C@@H](Cl)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 35658396 LEBLICFRYNMLEU-RXMQYKEDSA-N 277.538 4.343 50 30 CIGC in-vitro FC(F)(F)[C@H]1CCC[C@@H](CCBr)C1 712971441 BJBSQTXSSWSGHH-YUMQZZPRSA-N 259.109 4.140 50 30 CIGC O=C(Cl)N1c2ccccc2Sc2cccnc21 38648167 JBXLULDASFBHLX-UHFFFAOYSA-N 262.721 4.043 50 30 CIGC CCC=CCCCCCCCC[C@H]1CC(=O)OC1=O 2265369533 AMEIILZCUWMPEV-AWEZNQCLSA-N 266.381 4.163 50 30 CIGC ClCc1cc(Cl)c2cccc(Br)c2n1 2265381500 SHFLXXFBPGAYRW-UHFFFAOYSA-N 290.975 4.390 50 30 CIGC N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc(O)cc1 92437 USPMXMITKGMMIR-UKTHLTGXSA-N 289.256 4.475 50 30 CIGC CCCCCCC(Br)Br 2001389 AENZTLHIVNISKG-UHFFFAOYSA-N 257.997 4.073 50 30 CIGC CC(C)(C)CCC(=O)OOC(C)(C)c1ccccc1 100097438 WFAUFYAGXAXBEG-UHFFFAOYSA-N 264.365 4.223 50 30 CIGC ClCc1coc(-c2cc(Cl)cc(Cl)c2)n1 37933876 SKZIKVWUUDJVCF-UHFFFAOYSA-N 262.523 4.387 50 30 CIGC CC(C)(C)OCCCCCCCBr 34554895 NONIPQPOUADPFN-UHFFFAOYSA-N 251.208 4.147 50 30 CIGC C[C@@H](Br)c1ccc(Br)cc1F 132111369 NDIPFQZUPDNSAN-RXMQYKEDSA-N 281.950 4.044 50 30 CIGC N#CC(C(=O)c1ccccc1Cl)=C1SCCCS1 94673 CQOUHSCIQCVCKX-UHFFFAOYSA-N 295.816 4.128 50 30 CIGC Cc1ccc(Oc2ccc(CBr)cc2)cn1 218279533 IUGMMHGVPYRWKZ-UHFFFAOYSA-N 278.149 4.077 50 30 CIGC