smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc2c(c1)OCO2 1910994 BDTBGWAPTOLOFI-OMCISZLKSA-N 346.303 -0.861 50 50 EBGA CCN1CCN(S(=O)(=O)c2c(C)cc(B(O)O)cc2C)CC1 230552624 SSHDEQRNHQSAAK-UHFFFAOYSA-N 326.227 -0.691 50 50 EBGA CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC(C)C)C1 13322418 MHPWGIQTQUZNSW-JTQLQIEISA-N 336.483 -0.048 50 50 EBGA O=S(=O)(c1ccc(-n2cc(B(O)O)cn2)cc1)N1CCCCC1 170002440 SAULKDHZIUUPKT-UHFFFAOYSA-N 335.194 -0.273 50 50 EBGA CCOc1cc(/C=N/NC(=O)Cc2nnc(=O)[nH]c2O)ccc1O 56082 WVRQTVUKEUOKJS-VIZOYTHASA-N 333.304 -0.332 50 50 EBGA C[C@@H](Cl)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1875364353 OPFIPMFZFXEHPI-MNOVXSKESA-N 339.845 -0.229 50 50 EBGA CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(B(O)O)cc2)C1 1772572508 ASHVXBIACFDGRX-UHFFFAOYSA-N 341.194 -0.241 50 50 EBGA O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/CCc1ccccc1 3902797 YXKNWXUZPRURGP-RQZCQDPDSA-N 330.348 -0.005 50 50 EBGA NNC(=O)C1=NO[C@H]2COC3(CCN(c4ncccn4)CC3)OC[C@@H]12 4040874 LLDVBSYIFZCNBW-MNOVXSKESA-N 348.363 -0.819 50 50 EBGA CS(=O)(=O)Cc1cccc(CNC(=O)c2cccc(B(O)O)c2)c1 1442961815 ALQURGZGZHERRQ-UHFFFAOYSA-N 347.201 -0.159 50 50 EBGA CCOC(=O)C1=C(C)N/C(=C\C(C#N)=C(\N)N2CCOCC2)C1=O 100650027 HABAJQWATPQJFG-SGRTWXLRSA-N 332.360 -0.094 50 50 EBGA CC(=O)N(CCO)C[Si]12O[C@@H](C)CN(C[C@H](C)O1)C[C@@H](C)O2 195791818 FJDZWBFNJYGSTO-RWMBFGLXSA-N 332.473 -0.150 50 50 EBGA COC(=O)CCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 8994058 VNORYTBYGQSJAK-UHFFFAOYSA-N 333.300 -0.052 50 50 EBGA C=CCNC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 13322444 ZQNUKUADNVMOOZ-SNVBAGLBSA-N 334.467 -0.271 50 50 EBGA Cc1nn(C)c(NNC(=O)CCn2nc3ccccn3c2=O)c1C#N 1875349871 QRDIQQGRUPNFBO-UHFFFAOYSA-N 340.347 -0.057 50 50 EBGA CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC2CC2)C1 13322420 KQCVAUWPQCXDQH-SECBINFHSA-N 334.467 -0.294 50 50 EBGA C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 54202510 VZHDTVBHJGDOTL-LHGJSEJASA-N 346.303 -0.893 50 50 EBGA O=C(NNc1ccccc1)[C@@H](O)[C@H](O)C(=O)NNc1ccccc1 1883997 AWWFNKDNSSJDTF-KBPBESRZSA-N 330.344 -0.005 50 50 EBGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C1/C(=O)NC(=O)N=C1O 7004041 ALFVQCXTODTLLC-UHFFFAOYSA-N 335.232 -0.348 50 50 EBGA O=Cc1cc(C(=O)N2CCC[C@H](c3ncon3)C2)ccc1B(O)O 2325873696 QDRZQQKHKURCOE-NSHDSACASA-N 329.121 -0.418 50 50 EBGA NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ncccn4)CC3)OC[C@H]12 4040872 LLDVBSYIFZCNBW-WDEREUQCSA-N 348.363 -0.819 50 50 EBGA COC(=O)C1(CS(=O)(=O)NCCSS(C)(=O)=O)CC1 1615056382 KGSKIZYBYSDPHL-UHFFFAOYSA-N 331.437 -0.448 50 50 EBGA CCOC(=O)C1=C(NC)OC[C@@H]1NNC(=O)CCCCCC(O)O 5672539 NRBBSHMTDWOOOL-JTQLQIEISA-N 345.396 -0.739 50 50 EBGA Nc1nnnn1CC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2053083 YEBRJWPJDUXILP-QLKAYGNNSA-N 334.252 -0.958 50 50 EBGA CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)NC(C)C)C1 13322416 MHPWGIQTQUZNSW-SNVBAGLBSA-N 336.483 -0.048 50 50 EBGA COC(=O)CCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100702779 ISNRWEGHRYQOFI-UHFFFAOYSA-N 347.327 -0.042 50 50 EBGA COc1cccc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)c1OC 56046 PHLQETUBIFZTOJ-LZYBPNLTSA-N 347.331 -0.442 50 50 EBGA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)CCl 175415 LRAGDSCIFYPBAV-BYPYZUCNSA-N 337.561 -0.215 50 50 EBGA COCCCNC(=O)CN1CCN(S(=O)(=O)CCl)CC1 1775988676 QPCCEGYFLCRAFK-UHFFFAOYSA-N 327.834 -0.717 50 50 EBGA COc1nc(OC)c(OC)c(B(O)O)c1I 170017254 BFQZACDFJGFCDG-UHFFFAOYSA-N 338.894 -0.608 50 50 EBGA NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ncccn4)CC3)OC[C@@H]12 1405072 LLDVBSYIFZCNBW-GHMZBOCLSA-N 348.363 -0.819 50 50 EBGA O=C1NC(=O)C(=NNC(=O)c2cncc(Br)c2)C(=O)N1 3141461 ZMBOOWDCTUZZLZ-UHFFFAOYSA-N 340.093 -0.704 50 50 EBGA C[C@H](C(=O)NNC(=O)C(=O)N1CCCC1)N1Cc2ccccc2C1=O 906470584 MMZCHHUBMPJKFY-LLVKDONJSA-N 344.371 -0.199 50 50 EBGA O=S(=O)(c1ccc(B(O)O)c(C(F)(F)F)c1)N1CCOCC1 169934938 YXEYVMPXRUATEN-UHFFFAOYSA-N 339.100 -0.594 50 50 EBGA CCCCN1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1 170002305 YMZGIYGBCSNBHV-UHFFFAOYSA-N 326.227 -0.527 50 50 EBGA OB(O)c1ccc(OCCN2CCC3(CC2)OCCO3)c(F)c1 230550044 LRGRRWWXQAYZAG-UHFFFAOYSA-N 325.145 -0.277 50 50 EBGA CC(C)CN1CCN(S(=O)(=O)c2ccc(B(O)O)cc2)CC1 170002357 MOQLIJGQAFORHG-UHFFFAOYSA-N 326.227 -0.671 50 50 EBGA C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1c[nH]c2ccccc12 56074 LRBSFNFKISPMSH-TXQWPAICSA-N 341.331 -0.110 50 50 EBGA CCOC(=O)C1=C(NC)OC[C@H]1NNC(=O)CCCCCC(O)O 5672541 NRBBSHMTDWOOOL-SNVBAGLBSA-N 345.396 -0.739 50 50 EBGA O=Cc1cc(C(=O)N2CCC[C@@H](c3ncon3)C2)ccc1B(O)O 2325873695 QDRZQQKHKURCOE-LLVKDONJSA-N 329.121 -0.418 50 50 EBGA O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc([N+](=O)[O-])cc1 9332521 MWAGAVHQKDNNSR-VGOFMYFVSA-N 332.276 -0.551 50 50 EBGA COc1ccc(N2C(=O)C[C@@H](NNC(=O)CNC(C)=O)C2=O)cc1 612934 SYINAKURSUOBJM-GFCCVEGCSA-N 334.332 -0.916 50 50 EBGA COc1ccc(OC)c(/C=N/NC(=O)Cc2n[nH]c(=O)[nH]c2=O)c1 56118 APTSCHMWCCQZLQ-VIZOYTHASA-N 333.304 -0.832 50 50 EBGA O=C(NNc1ccccc1)[C@@H](O)[C@@H](O)C(=O)NNc1ccccc1 13306722 AWWFNKDNSSJDTF-OKILXGFUSA-N 330.344 -0.005 50 50 EBGA COc1ccc(N2C(=O)C[C@H](NNC(=O)CNC(C)=O)C2=O)cc1 100163916 SYINAKURSUOBJM-LBPRGKRZSA-N 334.332 -0.916 50 50 EBGA COc1ccc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1 55958 NYAOANBHHRTQBO-LZYBPNLTSA-N 332.320 -0.581 50 50 EBGA CC(=O)N[C@@H]1[C@H](OCCCCCCCl)O[C@H](CO)[C@@H](O)[C@@H]1O 239808013 KEMPWZHOLVVGLI-XVIXHAIJSA-N 339.816 -0.254 50 50 EBGA O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c[nH]c2ccccc12 55936 MBEYJURZBQSTJR-QGMBQPNBSA-N 341.331 -0.108 50 50 EBGA biogenic,in-vitro O=C(NCCOc1ccc2c(c1)OCO2)c1cccc(B(O)O)c1 1136246027 GUFHSHPLRXMHKU-UHFFFAOYSA-N 329.117 -0.096 50 50 EBGA Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccccc1 19938731 SBVFKWKFSWORKJ-UHFFFAOYSA-N 328.292 -0.384 50 50 EBGA COc1cc(B(O)O)c(C=O)cc1OCC(=O)N1CCCC[C@@H]1C 2325853873 FMHJBFLVQDWAPB-NSHDSACASA-N 335.165 -0.033 50 50 EBGA CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(B(O)O)cc1 1083104355 LCECEUBTMRPCGY-UHFFFAOYSA-N 344.198 -0.831 50 50 EBGA COCCCNS(=O)(=O)c1ccc(B(O)O)c(C(F)(F)F)c1 169934921 XLTWJZSSXSRUIQ-UHFFFAOYSA-N 341.116 -0.300 50 50 EBGA in-vitro COc1cc([N+](=O)[O-])cc(C=NNC(=O)Cn2nnnc2N)c1O 252677892 ANYVGPDUUMOJLU-UHFFFAOYSA-N 336.268 -0.972 50 50 EBGA Nc1ncnc(NNC(=O)CNC(=O)c2cccs2)c1[N+](=O)[O-] 3912706 FKYYXAIADGTMQY-UHFFFAOYSA-N 337.321 -0.098 50 50 EBGA C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 9087464 WZQBHJNTIMKGHO-GYXDYACRSA-N 347.291 -0.683 50 50 EBGA CCN1CCN(S(=O)(=O)c2ccc(B(O)O)c3ccccc23)CC1 230553942 ZJCCYUKLQWWYTR-UHFFFAOYSA-N 348.233 -0.154 50 50 EBGA CNC(=S)NNC(=O)CNC(=O)c1ccc(OC)c(OC)c1 1857525053 WVCUKJRZHOYRHF-UHFFFAOYSA-N 326.378 -0.441 50 50 EBGA Nc1nnnn1CC(=O)N/N=C/c1cc(Br)ccc1O 60405 VPJHQFGUXBDKBK-YIXHJXPBSA-N 340.141 -0.126 50 50 EBGA O=C(NNc1ccccc1)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1 1883998 AWWFNKDNSSJDTF-ZIAGYGMSSA-N 330.344 -0.005 50 50 EBGA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(B(O)O)c(C=O)c1 2325873920 YQDBDQMPCMUXNM-OAHLLOKOSA-N 346.192 -0.444 50 50 EBGA CCOC(=O)C[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)C1CC1 2325873898 XZZVAWKTZLFTRR-AWEZNQCLSA-N 333.149 -0.360 50 50 EBGA CC(=O)N(CCO)C[Si]12O[C@@H](C)CN(C[C@H](C)O1)C[C@H](C)O2 224781091 FJDZWBFNJYGSTO-AVGNSLFASA-N 332.473 -0.150 50 50 EBGA C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 16994027 WZQBHJNTIMKGHO-IOCLVDNSSA-N 347.291 -0.683 50 50 EBGA O=S(=O)(c1ccc(B(O)O)cc1F)N1CCC2(CC1)OCCO2 230551932 KAQHVNUVYGHANS-UHFFFAOYSA-N 345.157 -0.967 50 50 EBGA CCOC(=O)/C(C#N)=C1\NC(OC)=N/C(=C(\C#N)C(=O)OCC)N1 102292276 RHKJXBZTUFGNPJ-PNQPDEHRSA-N 333.304 -0.222 50 50 EBGA COc1cc(B(O)O)c(C=O)cc1OCC(=O)N1CCCC[C@H]1C 2325853872 FMHJBFLVQDWAPB-LLVKDONJSA-N 335.165 -0.033 50 50 EBGA COc1ccc(/C=N/NC(=O)Cc2n[nH]c(=O)[nH]c2=O)c(OC)c1 56131 JYCINGCJOISJLE-VIZOYTHASA-N 333.304 -0.832 50 50 EBGA CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)NC2CC2)C1 13322422 KQCVAUWPQCXDQH-VIFPVBQESA-N 334.467 -0.294 50 50 EBGA CC1=C(C=O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 5766380 WMHJCSAICLADIN-WYWSWGBSSA-N 330.377 -0.493 50 50 EBGA endogenous,in-man C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 54202508 VZHDTVBHJGDOTL-CKLBDGOISA-N 346.303 -0.893 50 50 EBGA CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCCCCCl 239808009 KEMPWZHOLVVGLI-IKOXMDCHSA-N 339.816 -0.254 50 50 EBGA C=CCc1cccc(C=NNC(=O)CNS(=O)(=O)N(C)C)c1O 245312511 VGNNAYIMAMJFTG-UHFFFAOYSA-N 340.405 -0.033 50 50 EBGA COCCOc1ccc(CC(=O)NNC(=O)c2nonc2N)cc1 408523976 WRYWHQLRHJKAJU-UHFFFAOYSA-N 335.320 -0.319 50 50 EBGA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)CCl 175411 LRAGDSCIFYPBAV-SCSAIBSYSA-N 337.561 -0.215 50 50 EBGA O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 22171132 HYMRBVDYTNJWMX-UHFFFAOYSA-N 342.333 -0.473 50 50 EBGA C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1c[nH]c2ccccc12 56076 LRBSFNFKISPMSH-RAKXPMKDSA-N 341.331 -0.110 50 50 EBGA OB(O)c1ccc(-c2ccc(-c3ccc(B(O)O)s3)nc2)s1 169872362 IBUNSZWVHJJZDW-UHFFFAOYSA-N 330.992 -0.102 50 50 EBGA O=C(NCCOC(=O)CCl)NC(=O)NCCOC(=O)CCl 4761853 HFWDFORDKGIMEM-UHFFFAOYSA-N 344.151 -0.441 50 50 EBGA O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(F)cccc1Cl 55782 NFMHRLOVLDIRAD-AYSLTRBKSA-N 340.702 -0.187 50 50 EBGA COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1CCOCC1 440696 PEXLBSSZWYAPMD-RQZCQDPDSA-N 336.348 -0.065 50 50 EBGA COc1cc(B(O)O)c(C=O)cc1OCC(=O)NCc1ccccc1 2325854237 TYGXJRFMLUYVGD-UHFFFAOYSA-N 343.144 -0.117 50 50 EBGA COCCNC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 4992232 AVVQDFGZMMBMCZ-UHFFFAOYSA-N 329.740 -0.371 50 50 EBGA CCOc1ccc(/C=N/NC(=O)Cc2nnc(=O)[nH]c2O)cc1OC 56127 QYQPDPIHQDGJPH-LZYBPNLTSA-N 347.331 -0.029 50 50 EBGA CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCCCCCCl 239808011 KEMPWZHOLVVGLI-XHJNMGKDSA-N 339.816 -0.254 50 50 EBGA COCCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 2026023 HGDYNTVHNKUGMG-ZETCQYMHSA-N 348.812 -0.239 50 50 EBGA O=C1NC(=O)C(=NNC(=O)c2ccc(Br)cc2)C(=O)N1 3099408 IRUYPRUYQYZOTJ-UHFFFAOYSA-N 339.105 -0.099 50 50 EBGA NNC(=O)C1=NO[C@H]2COC3(CCN(c4ncccn4)CC3)OC[C@H]12 1405076 LLDVBSYIFZCNBW-QWRGUYRKSA-N 348.363 -0.819 50 50 EBGA N=C(Cn1cncn1)NNC(=O)COc1ncn(-c2ccccc2)n1 3470264 ZQTLRCQGOKOVSG-UHFFFAOYSA-N 341.335 -0.464 50 50 EBGA CCN1CCN(S(=O)(=O)c2cc(B(O)O)c(F)cc2C)CC1 230554915 QEDPQGFAOBIPRB-UHFFFAOYSA-N 330.190 -0.860 50 50 EBGA CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ccc(B(O)O)c(C=O)c1 2325873919 YQDBDQMPCMUXNM-HNNXBMFYSA-N 346.192 -0.444 50 50 EBGA NNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 4294090 IBWZNIDHXHTJDY-UHFFFAOYSA-N 328.350 -0.015 50 50 EBGA Nc1ncnc(NNC(=O)CNC(=O)Cc2ccccc2)c1[N+](=O)[O-] 9391680 IYWGJAJURGCFTE-UHFFFAOYSA-N 345.319 -0.231 50 50 EBGA CCCNC(=S)NNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 13322404 OWNZMTOXPYEPPR-SNVBAGLBSA-N 336.483 -0.047 50 50 EBGA Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccccc1F 8853647 HGQHMHJCTRIEJT-UHFFFAOYSA-N 346.282 -0.245 50 50 EBGA CCCNC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 13322406 OWNZMTOXPYEPPR-JTQLQIEISA-N 336.483 -0.047 50 50 EBGA O=S(=O)(c1cc(B(O)O)cc(C(F)(F)F)c1)N1CCOCC1 170002401 ZEXXUPZFYRADOU-UHFFFAOYSA-N 339.100 -0.594 50 50 EBGA COc1cc(/C=N/NC(=O)Cc2nnc(=O)[nH]c2O)cc(OC)c1O 1781616 BQDIIABBDSYROI-GIDUJCDVSA-N 349.303 -0.714 50 50 EBGA COc1cc(B(O)O)c(C=O)cc1OCC(=O)N(C)C1CCCC1 2325854049 LXUDKAPPPKQQAL-UHFFFAOYSA-N 335.165 -0.033 50 50 EBGA CC(=O)N(CCO)C[Si]12O[C@@H](C)CN(C[C@@H](C)O1)C[C@@H](C)O2 195791816 FJDZWBFNJYGSTO-UPJWGTAASA-N 332.473 -0.150 50 50 EBGA COCCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 2026020 HGDYNTVHNKUGMG-SSDOTTSWSA-N 348.812 -0.239 50 50 EBGA CC(=O)N(CCO)C[Si]12O[C@H](C)CN(C[C@@H](C)O1)C[C@@H](C)O2 195791820 FJDZWBFNJYGSTO-JHJVBQTASA-N 332.473 -0.150 50 50 EBGA C=CCNC(=S)NNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 13322446 ZQNUKUADNVMOOZ-JTQLQIEISA-N 334.467 -0.271 50 50 EBGA COc1ccc(O)c(C=NNC(=O)CNS(=O)(=O)N(C)C)c1 239235553 WEHAGNKNEMENHD-UHFFFAOYSA-N 330.366 -0.753 50 50 EBGA CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 3875454 FIVPIPIDMRVLAY-RBJBARPLSA-N 326.399 -0.304 50 50 EBGA biogenic,in-vitro O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c[nH]c2ccccc12 56078 PBXDUIKSRUWHPC-UBKPWBPPSA-N 327.304 -0.498 50 50 EBGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1875364352 OPFIPMFZFXEHPI-GHMZBOCLSA-N 339.845 -0.229 50 50 EBGA CCOC(=O)C1=C(C)N/C(=C\C(C#N)=C(/N)N2CCN(C)CC2)C1=O 100429400 BHHAFVMVHQTITB-RZWNUXTOSA-N 345.403 -0.179 50 50 EBGA C[C@H](Cl)C(=O)N[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1875364355 OPFIPMFZFXEHPI-QWRGUYRKSA-N 339.845 -0.229 50 50 EBGA C[C@H](Cl)C(=O)N[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 1875364357 OPFIPMFZFXEHPI-WDEREUQCSA-N 339.845 -0.229 50 50 EBGA