smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC(CC)NCc1ccccc1O 19883818 HEWRCKRYYMLUSK-UHFFFAOYSA-N 193.290 2.670 10 20 AFCD CCN[C@@H](CC)c1ccc(F)cc1O 308553944 YPXSYSSHCUDYQK-JTQLQIEISA-N 197.253 2.592 10 20 AFCD C[C@H]1CCC[C@H](N2CC(N=[N+]=[N-])C2)C1 409422989 KLGMPGYQOCYCMR-WPRPVWTQSA-N 194.282 2.560 10 20 AFCD [N-]=[N+]=NCc1c(F)cccc1F 77291544 JSZUBPHMRHROHZ-UHFFFAOYSA-N 169.134 2.775 10 20 AFCD in-vitro CCCCNCc1cccc(C)c1O 83342027 CRDPUSMBMFKETJ-UHFFFAOYSA-N 193.290 2.590 10 20 AFCD Cc1ccsc1CN=[N+]=[N-] 409423213 MLECNDUPLPRRJZ-UHFFFAOYSA-N 153.210 2.867 10 20 AFCD CC[C@H](C)N[C@@H](C)c1ccccc1O 19882098 GDTSMECRFSKOFF-UWVGGRQHSA-N 193.290 2.841 10 20 AFCD CC(C)(C)[C@@H](N)c1cc(F)ccc1O 238137237 VZUNNNFRYULISH-JTQLQIEISA-N 197.253 2.577 10 20 AFCD CC(C)CN[C@@H](C)c1ccccc1O 19883034 UAEYKNXDERVMBH-JTQLQIEISA-N 193.290 2.699 10 20 AFCD CCCN(C)Cc1cc(C)ccc1O 132574834 LQFUHMSWWUDIBJ-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD CCC(C)(C)NCc1ccc(N)cc1 1262488063 OXYHLAMFGJYZAN-UHFFFAOYSA-N 192.306 2.547 10 20 AFCD CCCCN(C)Cc1ccc(N)cc1 19392266 XXVXUGQWDVGEPK-UHFFFAOYSA-N 192.306 2.501 10 20 AFCD Cc1ccc(CN=[N+]=[N-])s1 217839267 JAKXHLIHWMBHAA-UHFFFAOYSA-N 153.210 2.867 10 20 AFCD CC(C)C[C@H](N)c1cc(F)ccc1O 306739783 SKLXTZWSLPXMOB-JTQLQIEISA-N 197.253 2.577 10 20 AFCD CCO[C@H](C)Sc1nccs1 901476533 IRRQUOZDBAGCCA-LURJTMIESA-N 189.305 2.618 10 20 AFCD CN(C)c1ccc(-c2ccc[nH]2)cc1 195994757 JRVJUKTUQMOQCA-UHFFFAOYSA-N 186.258 2.748 10 20 AFCD CC[C@H](C)CNCc1ccccc1O 54467076 VTCGWLKVGJFXLT-JTQLQIEISA-N 193.290 2.528 10 20 AFCD CCCCN[C@@H](C)c1ccccc1O 19906980 UEXFSLQNACYXCG-JTQLQIEISA-N 193.290 2.843 10 20 AFCD O=C(c1ccccc1C=S)C1CC1 253533887 VQPPNAVPFSLWDL-UHFFFAOYSA-N 190.267 2.627 10 20 AFCD CCCOCSc1nccs1 863295264 OFJLNADEUZRPQX-UHFFFAOYSA-N 189.305 2.619 10 20 AFCD CCN[C@@H](C)c1ccc(C)c(C)c1O 134910238 XABHHVYMVFOPOR-JTQLQIEISA-N 193.290 2.680 10 20 AFCD CC(C)c1ccc(O)c([C@H](C)N)c1 211791295 UTAPZSIBVBROOX-QMMMGPOBSA-N 179.263 2.535 10 20 AFCD CCCCOc1ccc(N(C)C)cc1 115696718 IUPNHEPQKWWYNN-UHFFFAOYSA-N 193.290 2.932 10 20 AFCD CCSc1ncc(Cl)s1 849998089 KHAIERBVKXNROF-UHFFFAOYSA-N 179.697 2.909 10 20 AFCD Cc1cc(C)c(O)c([C@@H](N)C(C)C)c1 238170434 OWYJMIAEWAIKRF-NSHDSACASA-N 193.290 2.665 10 20 AFCD CCCN(C)Cc1c(C)cccc1O 876564696 UKPLDVBJOPVPMF-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD CCCCNCc1cc(C)ccc1O 34100863 SUIWHANRFYVEMU-UHFFFAOYSA-N 193.290 2.590 10 20 AFCD CC[C@@H](C)c1cccc(O)c1O 167812359 BVTFYXCUXKHNRR-SSDOTTSWSA-N 166.220 2.611 10 20 AFCD Cc1cccc(N)c1NC1CCC1 125616960 JILNJEVKSNTRTM-UHFFFAOYSA-N 176.263 2.542 10 20 AFCD CCN(C)c1ccc(OC)c(Cl)c1 259108070 OWNIJEPZCHSZMU-UHFFFAOYSA-N 199.681 2.805 10 20 AFCD CN(CC1CCC1)c1ccc(N)cc1 61455725 SAJIRVZWKMATKH-UHFFFAOYSA-N 190.290 2.505 10 20 AFCD CCCNCc1cc(Cl)ccc1O 19519471 JFONBLPTQOCZMF-UHFFFAOYSA-N 199.681 2.545 10 20 AFCD Cc1ccc(CN(C)C(C)C)c(O)c1 876527529 ILAQBDURBCXOED-UHFFFAOYSA-N 193.290 2.541 10 20 AFCD CCN(CC)Cc1ccc(C)cc1O 238252888 XOOLOECGKILUPP-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD Nc1ccc2c(ccn2CC2CC2)c1 34558667 AYIPLNZQXCQVAU-UHFFFAOYSA-N 186.258 2.634 10 20 AFCD FCCCCSc1nccs1 307909305 VIICEHGIEPLMRF-UHFFFAOYSA-N 191.296 2.985 10 20 AFCD CCCN[C@@H](C)c1ccc(F)cc1O 62744666 BTMRYAJUUIJRKF-QMMMGPOBSA-N 197.253 2.592 10 20 AFCD C[C@H](Cc1ccccc1)N=[N+]=[N-] 90770290 LDUSDJLJAUZKJD-MRVPVSSYSA-N 161.208 2.928 10 20 AFCD CC[C@H](N)c1cc(C)cc(Cl)c1O 95769781 KVMNROIWTWOJLF-VIFPVBQESA-N 199.681 2.764 10 20 AFCD CC[C@@H](N)c1cc(Cl)cc(C)c1O 95780189 RISBSOMZPVMIMT-SECBINFHSA-N 199.681 2.764 10 20 AFCD CCCN[C@H](C)c1ccc(C)cc1O 20084272 SNPCNKMHPMXVNB-SNVBAGLBSA-N 193.290 2.761 10 20 AFCD CC[C@H](C)NCc1c(C)cccc1O 876887931 KCUVCQXXSLTAAI-JTQLQIEISA-N 193.290 2.589 10 20 AFCD CCN[C@@H](C)c1cc(Cl)ccc1O 50273176 ZKDXSMFORRZPCK-ZETCQYMHSA-N 199.681 2.716 10 20 AFCD CC[C@H](N)c1cc(C(C)C)ccc1O 238310589 LZQGMZUKPPNOER-NSHDSACASA-N 193.290 2.925 10 20 AFCD C/C=C/Cn1ccc2cc(N)ccc21 232555172 NZOCVTJLEGKMGX-NSCUHMNNSA-N 186.258 2.800 10 20 AFCD CC(C)CO[C@H]1C[C@H](N=[N+]=[N-])C1 1898196748 XCMDEOBBKKBMDF-ZKCHVHJHSA-N 169.228 2.500 10 20 AFCD CCCCCN(C)c1ccc(N)cc1 20374560 XDSMFKAJXKGMJF-UHFFFAOYSA-N 192.306 2.895 10 20 AFCD CCCCN[C@H](C)c1ccccc1O 19906981 UEXFSLQNACYXCG-SNVBAGLBSA-N 193.290 2.843 10 20 AFCD CCO[C@@H](C)Sc1nccs1 901476547 IRRQUOZDBAGCCA-ZCFIWIBFSA-N 189.305 2.618 10 20 AFCD CC[C@@H](C)CN(C)c1ccc(N)cc1 57437352 OSHPIYGTJXHAHB-SNVBAGLBSA-N 192.306 2.751 10 20 AFCD CCN[C@@H](C)c1c(C)cc(C)cc1O 306468779 NOAAXDLPPLJWBY-JTQLQIEISA-N 193.290 2.680 10 20 AFCD C[C@@H]1CCC[C@H](N2CC(N=[N+]=[N-])C2)C1 409422987 KLGMPGYQOCYCMR-SCZZXKLOSA-N 194.282 2.560 10 20 AFCD Cl/C=C/CSc1nccs1 306527668 YFEVWZZLLBDYBN-OWOJBTEDSA-N 191.708 2.988 10 20 AFCD CCOc1ccc(N(C)CC)cc1 216233620 MQOZZFPASPOAHR-UHFFFAOYSA-N 179.263 2.541 10 20 AFCD CCN[C@H](C)c1c(C)cc(C)cc1O 306468780 NOAAXDLPPLJWBY-SNVBAGLBSA-N 193.290 2.680 10 20 AFCD CC[C@H](NC1CC1)c1ccccc1O 21960844 MBNFAQMFASWZBW-NSHDSACASA-N 191.274 2.595 10 20 AFCD CCCN[C@H](C)c1c(O)cccc1F 34666354 DQWJEJRIHUPHAX-MRVPVSSYSA-N 197.253 2.592 10 20 AFCD CC(C)COc1ccc(N(C)C)cc1 83230944 WUBWEOUFZVDJCS-UHFFFAOYSA-N 193.290 2.787 10 20 AFCD CCc1ccc(O)c([C@@H](N)C(C)C)c1 95770274 DZVMKJUCBTYHSY-LBPRGKRZSA-N 193.290 2.610 10 20 AFCD CC(C)CN[C@H](C)c1ccccc1O 19883035 UAEYKNXDERVMBH-SNVBAGLBSA-N 193.290 2.699 10 20 AFCD FC(F)(F)CSc1nccs1 306457746 WBQBYYMLHOEDBS-UHFFFAOYSA-N 199.222 2.798 10 20 AFCD c1csc(SCC2CC2)n1 306325562 LMTPMIDGVQWIRJ-UHFFFAOYSA-N 171.290 2.645 10 20 AFCD CCNc1ccccc1NC(C)C 199653752 GHNDHPGMWMHXEI-UHFFFAOYSA-N 178.279 2.939 10 20 AFCD [N-]=[N+]=NCCOCc1ccccc1 38265990 JNNJRIJFTCBFLX-UHFFFAOYSA-N 177.207 2.514 10 20 AFCD CC[C@H](C)CN(C)c1ccc(N)cc1 57437353 OSHPIYGTJXHAHB-JTQLQIEISA-N 192.306 2.751 10 20 AFCD CC[C@H](C)N(C)Cc1ccccc1O 132511557 MHCSKSFKCWYGLL-JTQLQIEISA-N 193.290 2.623 10 20 AFCD CCC(CC)CN=[N+]=[N-] 140396044 GVPAARWOTAUHBV-UHFFFAOYSA-N 127.191 2.733 10 20 AFCD Cc1ccc(O)c([C@H](N)CC(C)C)c1 306968714 OSTOCJSOBAVSIN-LLVKDONJSA-N 193.290 2.747 10 20 AFCD [N-]=[N+]=NCc1cccc(F)c1F 36889000 JBDHDNBAOVMPDT-UHFFFAOYSA-N 169.134 2.775 10 20 AFCD Cc1ccc(C)c(C(=O)CN=[N+]=[N-])c1 108433292 ABGNEDNKOPTYKP-UHFFFAOYSA-N 189.218 2.796 10 20 AFCD CC[C@@H](C)N(C)Cc1ccccc1O 132511361 MHCSKSFKCWYGLL-SNVBAGLBSA-N 193.290 2.623 10 20 AFCD CC(C)[C@@H](N)c1cc(Cl)ccc1O 75854075 CQYGNCANTVAREV-SNVBAGLBSA-N 199.681 2.701 10 20 AFCD CCc1[nH]nc(C(C)C)c1CN=[N+]=[N-] 409441027 PHAMBQXTBLMYLX-UHFFFAOYSA-N 193.254 2.906 10 20 AFCD CCCCNCc1ccc(C)cc1O 83342028 RUPDXVXMWVNDBO-UHFFFAOYSA-N 193.290 2.590 10 20 AFCD Nc1ccc2c(ccn2CCCF)c1 88025208 JALQUNQJFKCPEX-UHFFFAOYSA-N 192.237 2.583 10 20 AFCD C[C@@H](Nc1ccc(N)cc1)C1CCC1 123645659 JPHKRBYUBCWBQC-SECBINFHSA-N 190.290 2.869 10 20 AFCD [N-]=[N+]=NC1CN(C2CCCCCC2)C1 409422101 ARJBWQAXFRNCLG-UHFFFAOYSA-N 194.282 2.704 10 20 AFCD COc1ccc(N(C)CC(C)C)cc1 220528825 YYSMIEKZXDGJHX-UHFFFAOYSA-N 193.290 2.787 10 20 AFCD CC[C@@H](C)NCc1c(C)cccc1O 876887932 KCUVCQXXSLTAAI-SNVBAGLBSA-N 193.290 2.589 10 20 AFCD CC[C@@H](C)NCc1cccc(C)c1O 83342018 FHHSAHVHNBOHEQ-SNVBAGLBSA-N 193.290 2.589 10 20 AFCD CCCN[C@H](C)c1ccc(F)cc1O 62744667 BTMRYAJUUIJRKF-MRVPVSSYSA-N 197.253 2.592 10 20 AFCD CC(C)N[C@@H](C)c1cc(F)ccc1O 87111303 IOQIXYQPRZXHGP-QMMMGPOBSA-N 197.253 2.590 10 20 AFCD CC[C@@H](C)N[C@@H](C)c1ccccc1O 19882096 GDTSMECRFSKOFF-ZJUUUORDSA-N 193.290 2.841 10 20 AFCD CCCN[C@H](CC)c1ccccc1O 19432099 NHOZEAYIOLHORN-LLVKDONJSA-N 193.290 2.843 10 20 AFCD Cc1ccc(O)c([C@H](C)NC2CC2)c1 35628434 AQOMALVCUCKIAR-VIFPVBQESA-N 191.274 2.514 10 20 AFCD Cc1[nH]nc(C(C)C)c1CN=[N+]=[N-] 409442339 YYMKAUXJERGGTP-UHFFFAOYSA-N 179.227 2.652 10 20 AFCD CCCN(CC)Cc1ccccc1O 112466223 PIZYHMIGGFGVPK-UHFFFAOYSA-N 193.290 2.624 10 20 AFCD [N-]=[N+]=NCc1c[nH]nc1C1CCCC1 409438287 CGGSCNDXKSJCJU-UHFFFAOYSA-N 191.238 2.878 10 20 AFCD CCN[C@H](C)c1ccc(C)c(C)c1O 134910254 XABHHVYMVFOPOR-SNVBAGLBSA-N 193.290 2.680 10 20 AFCD C[C@H](NC1(C)CC1)c1ccccc1O 1320872615 ASHKGTYGFNZXBJ-VIFPVBQESA-N 191.274 2.595 10 20 AFCD CC(C)[C@@H](C)NCc1ccccc1O 20523313 IBENZXMAEDANTG-SNVBAGLBSA-N 193.290 2.526 10 20 AFCD CC[C@@H](C)CNc1ccc(N)cc1 54466660 SYHIYRUFBSHXAJ-SECBINFHSA-N 178.279 2.727 10 20 AFCD Cc1cc(C)c(O)c([C@H](N)C(C)C)c1 238169984 OWYJMIAEWAIKRF-LLVKDONJSA-N 193.290 2.665 10 20 AFCD CC[C@@H](N)c1cc(C(C)C)ccc1O 238271001 LZQGMZUKPPNOER-LLVKDONJSA-N 193.290 2.925 10 20 AFCD Cc1ccc([C@@H](C)NC2CC2)c(O)c1 20083032 NUHJLJYPIPFEGY-SECBINFHSA-N 191.274 2.514 10 20 AFCD CC[C@H](C)c1cccc(O)c1O 167812441 BVTFYXCUXKHNRR-ZETCQYMHSA-N 166.220 2.611 10 20 AFCD Cc1ccc(O)c([C@@H](C)NC2CC2)c1 35628433 AQOMALVCUCKIAR-SECBINFHSA-N 191.274 2.514 10 20 AFCD C[C@H]1CCC[C@@H](N2CC(N=[N+]=[N-])C2)C1 409422988 KLGMPGYQOCYCMR-WCBMZHEXSA-N 194.282 2.560 10 20 AFCD Cc1ccc(O)c([C@@H](N)C(C)(C)C)c1 238457360 DGKWSZLFWJPQCJ-LLVKDONJSA-N 193.290 2.747 10 20 AFCD [N-]=[N+]=NCc1c[nH]nc1-c1ccccc1 409439536 IVWMOYTWLXLNEQ-UHFFFAOYSA-N 199.217 2.887 10 20 AFCD CCN[C@H](C)c1cc(Cl)ccc1O 50273177 ZKDXSMFORRZPCK-SSDOTTSWSA-N 199.681 2.716 10 20 AFCD COc1ccc(CNC(C)C)cc1C 35052500 JEQGZFZQIDQUEL-UHFFFAOYSA-N 193.290 2.502 10 20 AFCD CC[C@@H](C)NCc1ccc(C)cc1O 83342020 NFRSQFMKDQTGPQ-SNVBAGLBSA-N 193.290 2.589 10 20 AFCD CCN(CC)Cc1cc(C)ccc1O 39988301 BPIIGTWIPYOEIV-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD Cc1[nH]nc(C2CCC2)c1CN=[N+]=[N-] 409440719 OFMMEQFVAOWKQA-UHFFFAOYSA-N 191.238 2.796 10 20 AFCD CCCN[C@@H](C)c1cc(C)ccc1O 35628441 HOSIJMTUMPBZBP-JTQLQIEISA-N 193.290 2.761 10 20 AFCD CC(C)CSc1nccs1 59802289 BUNXAUNQFQGTGD-UHFFFAOYSA-N 173.306 2.891 10 20 AFCD Cc1cccc(CN(C)C(C)C)c1O 157752993 IQGDQXFWVLPJBX-UHFFFAOYSA-N 193.290 2.541 10 20 AFCD CC[C@@H](C)N[C@H](C)c1ccccc1O 19882100 GDTSMECRFSKOFF-NXEZZACHSA-N 193.290 2.841 10 20 AFCD CC(C)CCN(C)c1ccc(N)cc1 20374533 LEPYUEXCKWDYKM-UHFFFAOYSA-N 192.306 2.751 10 20 AFCD Cc1[nH]nc(CC(C)C)c1CN=[N+]=[N-] 409439155 HKIJVKWUZKBFQW-UHFFFAOYSA-N 193.254 2.727 10 20 AFCD Cc1ccc([C@H](C)NC2CC2)c(O)c1 20083035 NUHJLJYPIPFEGY-VIFPVBQESA-N 191.274 2.514 10 20 AFCD C[C@@H](NC1CCC1)c1ccccc1O 52207319 GBUAGPFYVRTAJM-SECBINFHSA-N 191.274 2.595 10 20 AFCD CCCOc1ccc(N(C)C)cc1 83230941 OMQIAXSKJOFQAN-UHFFFAOYSA-N 179.263 2.541 10 20 AFCD CCCSc1nccs1 198969478 VFDSFPXRMRWBKA-UHFFFAOYSA-N 159.279 2.645 10 20 AFCD CC[C@H](N)c1cc(Cl)cc(C)c1O 95768707 RISBSOMZPVMIMT-VIFPVBQESA-N 199.681 2.764 10 20 AFCD CCC[C@H](N)c1cc(C)cc(C)c1O 238243709 XBPOVLBBNQLEKD-NSHDSACASA-N 193.290 2.809 10 20 AFCD Cc1cc(O)c([C@@H](C)N)c(C)c1Cl 71455001 XPUILYZPAYGOTR-SSDOTTSWSA-N 199.681 2.682 10 20 AFCD CCCN[C@H](C)c1cc(F)ccc1O 34666360 JVOWBUJBGCLYOJ-MRVPVSSYSA-N 197.253 2.592 10 20 AFCD CC1CCC(N2CC(N=[N+]=[N-])C2)CC1 409423011 KQYDCFHQOLHWSS-UHFFFAOYSA-N 194.282 2.560 10 20 AFCD CC[C@@H](N)c1cc(C)cc(Cl)c1O 95781017 KVMNROIWTWOJLF-SECBINFHSA-N 199.681 2.764 10 20 AFCD CCCN[C@@H](C)c1cc(F)ccc1O 34666359 JVOWBUJBGCLYOJ-QMMMGPOBSA-N 197.253 2.592 10 20 AFCD CC(C)(C)[C@H](N)c1cc(F)ccc1O 238172549 VZUNNNFRYULISH-SNVBAGLBSA-N 197.253 2.577 10 20 AFCD CCC[C@H](N)c1cc(C)ccc1O 82726738 VWUNUFAGMNYWLS-JTQLQIEISA-N 179.263 2.501 10 20 AFCD CCc1ccc(O)c([C@H](N)C(C)C)c1 95781511 DZVMKJUCBTYHSY-GFCCVEGCSA-N 193.290 2.610 10 20 AFCD Cc1ccc(C(=O)CN=[N+]=[N-])c(C)c1 108433306 SJGNHMMIUOZFKM-UHFFFAOYSA-N 189.218 2.796 10 20 AFCD CC(C)(C)CNc1ccc(N)cc1 40494618 JVAYGLCMEBGDJT-UHFFFAOYSA-N 178.279 2.727 10 20 AFCD [N-]=[N+]=N[C@@H]1CCCc2[nH]ccc21 1537961394 SKUJKDFJWAIIKU-MRVPVSSYSA-N 162.196 2.702 10 20 AFCD CSCCSc1nccs1 307061425 KXDCYWSMDQUDGA-UHFFFAOYSA-N 191.346 2.598 10 20 AFCD CCN(CC)Cc1cccc(C)c1O 1712529 LDIGJJQBTZCIIT-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD CCC[C@@H](N)c1cc(Cl)ccc1O 82725945 VIHHVFJPEJOXCE-SECBINFHSA-N 199.681 2.846 10 20 AFCD CC(C)Sc1nccs1 115979670 WMELFFWTDGIZQM-UHFFFAOYSA-N 159.279 2.644 10 20 AFCD CC1=C(O)Cc2ccccc2C1=S 514287002 JCZYTBYJZCMDNU-UHFFFAOYSA-N 190.267 2.793 10 20 AFCD CCOc1ccc(N2CCCC2)cc1 166100339 OKWYZXIUHXFBET-UHFFFAOYSA-N 191.274 2.686 10 20 AFCD CCCNCc1ccc(OC)c(C)c1 35052340 CIQADXAUPOBLGQ-UHFFFAOYSA-N 193.290 2.503 10 20 AFCD CCCN(C)c1ccc(OC)c(F)c1 757852304 JQRXLMYHWLLFEI-UHFFFAOYSA-N 197.253 2.681 10 20 AFCD CCC[C@H](N)c1cc(Cl)ccc1O 82725944 VIHHVFJPEJOXCE-VIFPVBQESA-N 199.681 2.846 10 20 AFCD CC[C@@H](NC1CC1)c1ccccc1O 21960839 MBNFAQMFASWZBW-LLVKDONJSA-N 191.274 2.595 10 20 AFCD FCCSc1ncc(Cl)s1 849999921 CHLUSXKDSXGGHR-UHFFFAOYSA-N 197.687 2.858 10 20 AFCD CC[C@H](C)NCc1cc(C)ccc1O 70954602 DHPBCCRXWKJASR-JTQLQIEISA-N 193.290 2.589 10 20 AFCD Cl/C=C\CSc1nccs1 307802244 YFEVWZZLLBDYBN-UPHRSURJSA-N 191.708 2.988 10 20 AFCD Cc1ccc(O)c([C@@H](N)CC(C)C)c1 306968715 OSTOCJSOBAVSIN-NSHDSACASA-N 193.290 2.747 10 20 AFCD Cc1cc(O)c([C@H](C)N)c(C)c1Cl 71455002 XPUILYZPAYGOTR-ZETCQYMHSA-N 199.681 2.682 10 20 AFCD c1cncc(N=Nc2cccnc2)c1 2332239718 YKROEKFLSMDUSV-UHFFFAOYSA-N 184.202 2.892 10 20 AFCD CC(C)N[C@H](C)c1cc(F)ccc1O 87111304 IOQIXYQPRZXHGP-MRVPVSSYSA-N 197.253 2.590 10 20 AFCD CCCCCCN1CC(N=[N+]=[N-])C1 409422568 GFFJNPAZXVPSIX-UHFFFAOYSA-N 182.271 2.561 10 20 AFCD CC(C)[C@H](N)c1cc(Cl)ccc1O 75854074 CQYGNCANTVAREV-JTQLQIEISA-N 199.681 2.701 10 20 AFCD CC(C)CCNCc1ccccc1O 19911898 KNZOIGIGVHXZTP-UHFFFAOYSA-N 193.290 2.528 10 20 AFCD CCC(C)(C)NCc1ccccc1O 19879787 TWIXGJLVVKNVRI-UHFFFAOYSA-N 193.290 2.670 10 20 AFCD CCN[C@H](CC)c1ccc(F)cc1O 308553946 YPXSYSSHCUDYQK-SNVBAGLBSA-N 197.253 2.592 10 20 AFCD [N-]=[N+]=NCC1(F)CCCC1 1898211556 KMLPRWUWBRZJGN-UHFFFAOYSA-N 143.165 2.579 10 20 AFCD [N-]=[N+]=N[C@H]1CCCc2[nH]ccc21 1537961395 SKUJKDFJWAIIKU-QMMMGPOBSA-N 162.196 2.702 10 20 AFCD CC(C)NCc1cc(Cl)ccc1O 19880757 AUMHXVPRRVJDKQ-UHFFFAOYSA-N 199.681 2.544 10 20 AFCD [N-]=[N+]=NCC1(F)CCCCC1 238664680 UHVUYRRGXHIBMX-UHFFFAOYSA-N 157.192 2.969 10 20 AFCD C[C@@H]1CCC[C@@H](N2CC(N=[N+]=[N-])C2)C1 409422985 KLGMPGYQOCYCMR-PSASIEDQSA-N 194.282 2.560 10 20 AFCD c1csc(SC2CCC2)n1 307345074 KNROOQGMNCKQOJ-UHFFFAOYSA-N 171.290 2.788 10 20 AFCD CCCN[C@@H](C)c1ccc(C)cc1O 20084270 SNPCNKMHPMXVNB-JTQLQIEISA-N 193.290 2.761 10 20 AFCD CCCCCNCc1ccccc1O 19901292 YPAQYHCBPYDPLY-UHFFFAOYSA-N 193.290 2.672 10 20 AFCD C[C@H](Nc1ccc(N)cc1)C1CCC1 123645435 JPHKRBYUBCWBQC-VIFPVBQESA-N 190.290 2.869 10 20 AFCD CC(C)C[C@@H](N)c1cc(F)ccc1O 306739784 SKLXTZWSLPXMOB-SNVBAGLBSA-N 197.253 2.577 10 20 AFCD CC[C@H](C)CNc1ccc(N)cc1 54466662 SYHIYRUFBSHXAJ-VIFPVBQESA-N 178.279 2.727 10 20 AFCD C[C@H](NC1CCC1)c1ccccc1O 52207317 GBUAGPFYVRTAJM-VIFPVBQESA-N 191.274 2.595 10 20 AFCD CCN(Cc1ccccc1O)C(C)C 132565264 LNHDNVTWUJQEHR-UHFFFAOYSA-N 193.290 2.623 10 20 AFCD CCc1cc(O)c(O)c(C(C)(C)C)c1 196223550 KCUBEISHYCXHNS-UHFFFAOYSA-N 194.274 2.958 10 20 AFCD Cc1ccc(O)c([C@H](N)C(C)(C)C)c1 238457876 DGKWSZLFWJPQCJ-NSHDSACASA-N 193.290 2.747 10 20 AFCD CSCSc1nccs1 306426015 RTSXVNNSODRCCK-UHFFFAOYSA-N 177.319 2.556 10 20 AFCD [N-]=[N+]=NCCCOc1ccccc1 42390680 LRUPGIBPPUVYCS-UHFFFAOYSA-N 177.207 2.766 10 20 AFCD CCc1[nH]nc(C2CC2)c1CN=[N+]=[N-] 409441085 QDLNTDJQSXYBBR-UHFFFAOYSA-N 191.238 2.660 10 20 AFCD CC[C@H](C)NCc1cccc(C)c1O 83342019 FHHSAHVHNBOHEQ-JTQLQIEISA-N 193.290 2.589 10 20 AFCD [N-]=[N+]=NCC(=O)c1ccccc1Cl 107339292 WSMOMJYNJIJKJC-UHFFFAOYSA-N 195.609 2.833 10 20 AFCD Cc1cccc(O)c1CN(C)C(C)C 876527665 JXAAYUGPENDUNG-UHFFFAOYSA-N 193.290 2.541 10 20 AFCD O=C(c1ccc(C=S)cc1)C1CC1 253534097 YUMUGOZVWNXYMV-UHFFFAOYSA-N 190.267 2.627 10 20 AFCD CCCCNCc1c(C)cccc1O 876906576 CBOYZTPDQDJMOI-UHFFFAOYSA-N 193.290 2.590 10 20 AFCD COc1ccc(N(C)CC2CC2)cc1 831582865 JRGDUJUDHXLRDH-UHFFFAOYSA-N 191.274 2.541 10 20 AFCD CN(C)c1ccc(C=C2CC2)cc1 98178014 KSYJUJZFFOTXPX-UHFFFAOYSA-N 173.259 2.930 10 20 AFCD CCCN[C@H](C)c1cc(C)ccc1O 35628442 HOSIJMTUMPBZBP-SNVBAGLBSA-N 193.290 2.761 10 20 AFCD CCCN(C)Cc1ccc(C)cc1O 876564887 WUZJKQPDSJWVTQ-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD CCCN(CC)Cc1ccc(N)cc1 37094479 ZHEYSSGESDKFCX-UHFFFAOYSA-N 192.306 2.501 10 20 AFCD CCC[C@H](C)CC=S 87492900 KCIPDOABRFAQRL-ZETCQYMHSA-N 130.256 2.812 10 20 AFCD Cc1ccc(O)c(CNC(C)(C)C)c1 70954478 WTGJOBFXWAKXMJ-UHFFFAOYSA-N 193.290 2.589 10 20 AFCD CCC[C@@H](N)c1cc(C)cc(C)c1O 238230093 XBPOVLBBNQLEKD-LLVKDONJSA-N 193.290 2.809 10 20 AFCD CCCN[C@@H](CC)c1ccccc1O 19432097 NHOZEAYIOLHORN-NSHDSACASA-N 193.290 2.843 10 20 AFCD CCCNCc1cccc(Cl)c1O 157755975 KWQMILMYZHZKNP-UHFFFAOYSA-N 199.681 2.545 10 20 AFCD c1cncc(/N=N/c2cccnc2)c1 5161969 YKROEKFLSMDUSV-BUHFOSPRSA-N 184.202 2.892 10 20 AFCD CC[C@H](C)NCc1ccc(C)cc1O 83342021 NFRSQFMKDQTGPQ-JTQLQIEISA-N 193.290 2.589 10 20 AFCD CCCCN(C)c1ccc(OC)cc1 38672419 VPAHJNHEQJPBCJ-UHFFFAOYSA-N 193.290 2.932 10 20 AFCD CC[C@@H](C)NCc1cc(C)ccc1O 70954598 DHPBCCRXWKJASR-SNVBAGLBSA-N 193.290 2.589 10 20 AFCD CCC[C@@H](C)CC=S 87492899 KCIPDOABRFAQRL-SSDOTTSWSA-N 130.256 2.812 10 20 AFCD CC[C@@H](C)CNCc1ccccc1O 54467074 VTCGWLKVGJFXLT-SNVBAGLBSA-N 193.290 2.528 10 20 AFCD C[C@@H](Cc1ccccc1)N=[N+]=[N-] 90770289 LDUSDJLJAUZKJD-QMMMGPOBSA-N 161.208 2.928 10 20 AFCD CN(Cc1ccccc1O)C(C)(C)C 307606993 DXTKWQPGMVBJIB-UHFFFAOYSA-N 193.290 2.623 10 20 AFCD CC(C)c1ccc(O)c([C@@H](C)N)c1 104525157 UTAPZSIBVBROOX-MRVPVSSYSA-N 179.263 2.535 10 20 AFCD C[C@@H](NC1(C)CC1)c1ccccc1O 1320872610 ASHKGTYGFNZXBJ-SECBINFHSA-N 191.274 2.595 10 20 AFCD CCCN(C)Cc1cccc(C)c1O 157753794 QFUNGYRZPYUWQM-UHFFFAOYSA-N 193.290 2.542 10 20 AFCD CCCN(CC)c1ccc(OC)cc1 196133654 VVMYOHSWPHWNDN-UHFFFAOYSA-N 193.290 2.932 10 20 AFCD CCC[C@@H](N)c1cc(C)ccc1O 82726739 VWUNUFAGMNYWLS-SNVBAGLBSA-N 179.263 2.501 10 20 AFCD CC(C)(C)CNCc1ccccc1O 40492405 NSCGQMYLBHVHHB-UHFFFAOYSA-N 193.290 2.528 10 20 AFCD CC[C@H](C)N[C@H](C)c1ccccc1O 19882102 GDTSMECRFSKOFF-VHSXEESVSA-N 193.290 2.841 10 20 AFCD [N-]=[N+]=NC1CN(CC2CCCCC2)C1 409422722 HPPDDGYBOAWQSC-UHFFFAOYSA-N 194.282 2.561 10 20 AFCD Cc1ccc(CNC(C)(C)C)c(O)c1 83342032 DKJRIWGXWCCQAT-UHFFFAOYSA-N 193.290 2.589 10 20 AFCD CCCN[C@@H](C)c1c(O)cccc1F 34666353 DQWJEJRIHUPHAX-QMMMGPOBSA-N 197.253 2.592 10 20 AFCD Cc1ccc2scc(O)c2c1 225303296 NDDRGEIEEMWGMX-UHFFFAOYSA-N 164.229 2.915 10 20 AFCD CC(C)[C@H](C)NCc1ccccc1O 20523314 IBENZXMAEDANTG-JTQLQIEISA-N 193.290 2.526 10 20 AFCD