smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features OB(O)c1ccccc1C(=S)N1CCOCC1 604934448 NKQIUNLEQJSTJU-UHFFFAOYSA-N 251.116 -0.626 50 30 CBGC Cn1c(=O)c2c(ncn2C(=O)CCl)n(C)c1=O 39125211 RXKFHQIIZAHEKY-UHFFFAOYSA-N 256.649 -0.687 50 30 CBGC NC(=S)NNC(=O)c1ccc2c(c1)OCCO2 87465748 KUXIXAKIPFIVPL-UHFFFAOYSA-N 253.283 -0.064 50 30 CBGC in-vitro Cn1c(=O)c(=O)n(C)c2nn(C[C@H](O)CCl)cc21 335876 ZSMONVAEUUCHTP-ZCFIWIBFSA-N 272.692 -0.967 50 30 CBGC N#C[C@@](O)(I)[C@@H]1CCC(=O)N1 263584411 SITSROPPIBZXET-NJGYIYPDSA-N 266.038 -0.088 50 30 CBGC NNC(=O)Cn1c(-c2ccccc2)cc(=O)n2ncnc12 1036515 YSIMBEFFAAWIDV-UHFFFAOYSA-N 284.279 -0.452 50 30 CBGC COC(=O)c1cnn2cc(B(O)O)cc(Br)c12 642881817 JWDCRMWUKIXUAP-UHFFFAOYSA-N 298.889 -0.437 50 30 CBGC CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NN)O[C@@H]1OC(C)(C)O[C@H]21 4750778 CLVZOCRHEWJEBI-WASRKXDBSA-N 288.300 -0.627 50 30 CBGC NNC(=O)CCNc1cccc(OCCC(=O)NN)c1 38656246 GSAWQNUNVUIPOD-UHFFFAOYSA-N 281.316 -0.763 50 30 CBGC CS[C@H]1O[C@H]([C@H](N)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O 96029163 TVVQUVMUAMNLLX-HGYHFYRYSA-N 271.766 -0.888 50 30 CBGC COc1cc(OC)c(C2OCCO2)cc1B(O)O 221288010 CHWMLQVEXNCQLI-UHFFFAOYSA-N 254.047 -0.571 50 30 CBGC CC(C)NC(=O)NNC(=O)Cn1nnc(N2CCCC2)n1 3138349 CFBIYFUZYWHXAK-UHFFFAOYSA-N 296.335 -0.988 50 30 CBGC CC(=O)N(Br)N1C(=O)CC[C@@H]1[C@@H](O)C#N 585139038 QSLIHXHYOHCFQF-RQJHMYQMSA-N 276.090 -0.065 50 30 CBGC NNC(=O)Cn1nnc(-c2cccc([N+](=O)[O-])c2)n1 1044818 ZLUHZTCNPBMVHS-UHFFFAOYSA-N 263.217 -0.762 50 30 CBGC O=S(=O)(c1ccccc1)n1cccc1B(O)O 195924920 YNZZJEOSBKZERV-UHFFFAOYSA-N 251.072 -0.595 50 30 CBGC NNC(=O)C[C@H]1NCCN(Cc2ccccc2)C1=O 59594795 XHKBWAHMUXCEGA-LLVKDONJSA-N 262.313 -0.633 50 30 CBGC N#C[C@](O)(I)[C@@H]1CCC(=O)N1 263584412 SITSROPPIBZXET-UJURSFKZSA-N 266.038 -0.088 50 30 CBGC NCCC(=O)NCCSSCCNC(=O)CCN 5178751 WELIVEBWRWAGOM-UHFFFAOYSA-N 294.446 -0.702 50 30 CBGC investigational CNC(=S)NNC(=O)Cc1nc(-c2cnccn2)no1 170785 PHQJPPCLRSARJY-UHFFFAOYSA-N 293.312 -0.806 50 30 CBGC CS(=O)(=O)SCCC(=O)ON1C(=O)CCC1=O 2379172 MIPQUPMCCSLZQI-UHFFFAOYSA-N 281.311 -0.324 50 30 CBGC in-vitro N#C[C@](O)(I)[C@H]1CCC(=O)N1 263584410 SITSROPPIBZXET-INEUFUBQSA-N 266.038 -0.088 50 30 CBGC COC(=O)CC[C@@H](NC(=O)CCl)C(=O)OC 196014737 SRCLSPUIVVNWBH-ZCFIWIBFSA-N 251.666 -0.164 50 30 CBGC NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 1024961 HJKQCNVEXMMYRM-UHFFFAOYSA-N 283.231 -0.136 50 30 CBGC CN1CCN(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)CC1 1809 FHHFNHFFCVLLHX-MDWZMJQESA-N 295.299 -0.115 50 30 CBGC in-man O=C=NC1CCN(S(=O)(=O)N2CCOCC2)CC1 20256036 ORPHDDSAEVCISG-UHFFFAOYSA-N 275.330 -0.636 50 30 CBGC CC1(C)c2cccc(B(O)O)c2Oc2c(B(O)O)cccc21 203620739 BXWZPWDOAASIEC-UHFFFAOYSA-N 297.912 -0.522 50 30 CBGC Cn1ncc2c(NNC(=O)CCC(=O)O)ncnc21 116957 NSIFNAWXFPJCAU-UHFFFAOYSA-N 264.245 -0.329 50 30 CBGC CC(=O)N[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O 1742260 ZLCOWUKVVFVVKA-RITPCOANSA-N 282.343 -0.631 50 30 CBGC Cn1c(=O)c(=O)n(C)c2nn(C[C@@H](O)CCl)cc21 335877 ZSMONVAEUUCHTP-LURJTMIESA-N 272.692 -0.967 50 30 CBGC CN(C)S(=O)(=O)CCNC(=O)N(CCCl)N=O 4217509 RCLLNBVPCJDIPX-UHFFFAOYSA-N 286.741 -0.190 50 30 CBGC in-man CS(=O)(=O)CS(=O)(=O)OCCBr 1583031 DLOFSTTTWPYQRY-UHFFFAOYSA-N 281.149 -0.270 50 30 CBGC O=C(O)/C=C/C(=O)NNC(=O)c1ccccc1[N+](=O)[O-] 2913636 UURXOIPHQHRESN-AATRIKPKSA-N 279.208 -0.003 50 30 CBGC CNC(=S)NNC(=O)c1cncc(NC(C)=O)c1 82163885 OYMSBGSYMSRNFT-UHFFFAOYSA-N 267.314 -0.221 50 30 CBGC in-vitro O=C(CBr)NCCOP(=O)(O)O 5113689 MUORYJVNLAHVKL-UHFFFAOYSA-N 261.996 -0.393 50 30 CBGC CNC(=S)NNC(=O)c1ccc2nonc2c1 171040 CITKORXSLKCVPT-UHFFFAOYSA-N 251.271 -0.039 50 30 CBGC NNC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2 160622 PKFNJKWVRJOSGG-UHFFFAOYSA-N 277.309 -0.370 50 30 CBGC CN(C)C=NNC(=O)Cn1nnc(-c2ccccc2)n1 254808854 QGPKHCBCAVVWMJ-UHFFFAOYSA-N 273.300 -0.039 50 30 CBGC N#C[C@@](O)(I)[C@H]1CCC(=O)N1 263584413 SITSROPPIBZXET-XINAWCOVSA-N 266.038 -0.088 50 30 CBGC CC(=O)N(Br)N1C(=O)CC[C@H]1[C@H](O)C#N 585139036 QSLIHXHYOHCFQF-NKWVEPMBSA-N 276.090 -0.065 50 30 CBGC CC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O 1742257 ZLCOWUKVVFVVKA-WDSKDSINSA-N 282.343 -0.631 50 30 CBGC in-vitro NNC(=O)CSc1nnc2nnc3ccccc3n12 133818 JJMFTCPNJODCKG-UHFFFAOYSA-N 275.297 -0.246 50 30 CBGC NNC(=O)C[C@@H]1NCCN(Cc2ccccc2)C1=O 59594796 XHKBWAHMUXCEGA-NSHDSACASA-N 262.313 -0.633 50 30 CBGC COc1ccc(-c2cc(B(O)O)c(OC)nn2)cn1 203620777 VEDQOVDARUPCNV-UHFFFAOYSA-N 261.046 -0.764 50 30 CBGC CN1C(=O)[C@@H]2N[C@H](Br)N[C@@H]2N(C)C1=O 225290149 HTRDUIGXHQGAQG-KODRXGBYSA-N 263.095 -0.924 50 30 CBGC O=P(O)(O)OCCCNCCNCCCl 22589769 NXUYKLYPMPSVGA-UHFFFAOYSA-N 260.658 -0.096 50 30 CBGC in-vitro CO[Si](CCCNCCNC(N)=O)(OC)OC 195767763 QJPPPLJETZSLMG-UHFFFAOYSA-N 265.386 -0.488 50 30 CBGC CN1C(=O)[C@@H]2N[C@@H](Br)N[C@H]2N(C)C1=O 575625381 HTRDUIGXHQGAQG-ALEPSDHESA-N 263.095 -0.924 50 30 CBGC CC(=O)N(Br)N1C(=O)CC[C@@H]1[C@H](O)C#N 585139037 QSLIHXHYOHCFQF-RNFRBKRXSA-N 276.090 -0.065 50 30 CBGC CS[C@H]1O[C@H]([C@H](N)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O 96029165 TVVQUVMUAMNLLX-WCQBIBPDSA-N 271.766 -0.888 50 30 CBGC N#Cc1cccnc1NNC(=O)COCC(=O)O 4307635 OZMBURDJWQLDFO-UHFFFAOYSA-N 250.214 -0.502 50 30 CBGC O=C(CN1CCNCC1)N/N=C1\C(=O)Nc2ccccc21 38174863 PGKSCZGWTSILJS-UHFFFAOYSA-N 287.323 -0.636 50 30 CBGC CC(C)(C)OC(=O)Nc1ccc(C(N)=O)c(B(O)O)c1 725325653 SDGSOICHMJFWAJ-UHFFFAOYSA-N 280.089 -0.188 50 30 CBGC CN1C(=O)[C@@H]2N[C@H](Br)N[C@H]2N(C)C1=O 225290182 HTRDUIGXHQGAQG-IWGUZYHVSA-N 263.095 -0.924 50 30 CBGC CC(=O)N(Br)N1C(=O)CC[C@H]1[C@@H](O)C#N 585139035 QSLIHXHYOHCFQF-BQBZGAKWSA-N 276.090 -0.065 50 30 CBGC CN(C)CCNC(=O)OCCSS(C)(=O)=O 2379150 HVXOQQDJVAPFIA-UHFFFAOYSA-N 270.376 -0.033 50 30 CBGC in-vitro OB(O)c1ccc(C2(C(F)(F)F)OCCO2)nc1 206051018 AERKENPJZIPSHM-UHFFFAOYSA-N 262.980 -0.477 50 30 CBGC CN1C(=O)[C@@H]2N[C@@H](Br)N[C@@H]2N(C)C1=O 575625383 HTRDUIGXHQGAQG-ZMIZWQJLSA-N 263.095 -0.924 50 30 CBGC O=C(CBr)N1CCS(=O)(=O)CC1 2513811 SDEXRDKFFRNZMZ-UHFFFAOYSA-N 256.121 -0.362 50 30 CBGC Cn1ncc(C(=O)O)c1NNC(=O)CCC(=O)O 4324171 RYJSBPPIEPEGSH-UHFFFAOYSA-N 256.218 -0.574 50 30 CBGC Cc1cn([C@H]2C[C@@H](Cl)[C@@H](CO)O2)c(=O)[nH]c1=O 28259660 KQVJDKGDGLWBQT-BWZBUEFSSA-N 260.677 -0.268 50 30 CBGC in-vitro CC1(C)[C@H](C(=O)OCCl)N2C(=O)C[C@@H]2S1(=O)=O 34031294 AKDMNWSBLXHXGL-BQBZGAKWSA-N 281.717 -0.140 50 30 CBGC