smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)c(Cl)c1 111391865 RJXMVDQBCHMJTE-QURGRASLSA-N 352.781 6.407 10 30 FKCC CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2Cl)cc1 5140562 JPPVTKZGOJUZKN-UHFFFAOYSA-N 364.920 5.652 10 30 FKCC Oc1c(/N=N/c2ccccc2)cc(/N=N/c2ccccc2)c2ccccc12 5848685 TVQPHPSPJUOLGS-OGGGYYITSA-N 352.397 7.376 10 30 FKCC O=C1C(=Cc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 2265278806 OIDFPLAIPVZBOA-UHFFFAOYSA-N 358.828 5.175 10 30 FKCC Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1/N=N/N(C)C 17992594 VXTBXWJLIXAJTA-WCWDXBQESA-N 370.541 5.663 10 30 FKCC CCCCc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 5139126 ITLXCSMSIXIRBB-UHFFFAOYSA-N 371.436 5.254 10 30 FKCC COc1ccc(N=Nc2cnc(-c3ccccc3)nc2-c2ccccc2)cc1 254865187 YSPLDIPHKFXHJJ-UHFFFAOYSA-N 366.424 6.235 10 30 FKCC Nc1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 111391933 HTTZEKZZLKWRNB-FMQUCBEESA-N 371.740 5.307 10 30 FKCC CC(C)(C)c1cc(/N=N/c2ccccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 5355001 BBUYLEHVHUQHME-QURGRASLSA-N 355.438 6.311 10 30 FKCC CCOC(=O)c1sc2nc(C)c(/N=N/c3ccccc3)c(C)c2c1N 4365782 PJMZTNUONSZSFG-QURGRASLSA-N 354.435 5.087 10 30 FKCC CCN(CC)c1ccc(/C=C/c2cc[n+](Cc3ccc(F)cc3)cc2)cc1 2143955 SZFGDTOAZDYVIR-UHFFFAOYSA-N 361.484 5.178 10 30 FKCC Cc1ccccc1NC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)c1C 1046818 VMKNANBJBQOKCO-UHFFFAOYSA-N 366.464 6.013 10 30 FKCC Cc1cccc(N=Nc2cnc(-c3ccncc3)nc2-c2cccs2)c1 254568773 IRYIHJAXBHZAIV-UHFFFAOYSA-N 357.442 5.991 10 30 FKCC Clc1ccc(S/N=N/c2cc(Cl)c(Cl)cc2Cl)cc1 2516837 JKVBWACRUUUEAR-ISLYRVAYSA-N 352.073 7.091 10 30 FKCC in-vitro Cc1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cc1 1046814 QXBMJSPOUZZRPQ-UHFFFAOYSA-N 366.464 6.013 10 30 FKCC O=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1 4261858 HLISYGBBLOOIQF-UHFFFAOYSA-N 353.403 5.092 10 30 FKCC CCCCN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21 4344359 XEHABDIHYPOHAE-QURGRASLSA-N 372.310 6.417 10 30 FKCC CC(C)(C)CC(C)(C)c1ccc(O)c(/N=N/c2ccccc2[N+](=O)[O-])c1 5351964 HOWCUYQDKCPWDV-QURGRASLSA-N 355.438 6.430 10 30 FKCC Clc1ccc2c(c1)/C(=C/[C@@H]1CN3CCC1CC3)c1ccccc1S2 31477134 FCXKKBQJIUTOHH-CLXYIWAZSA-N 353.918 5.578 10 30 FKCC in-man O=S(=O)(O)c1ccc(/N=N/c2cccc3ccccc23)c2ccccc12 146626951 TZHHSVINAQXMSG-QURGRASLSA-N 362.410 5.655 10 30 FKCC Cc1cccc(N=Nc2cnc(-c3ccccn3)nc2-c2cccs2)c1 254742109 WHLYCUCTGQMZMQ-UHFFFAOYSA-N 357.442 5.991 10 30 FKCC CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc(Cl)cc1 1026803 XGIHWQCGARXEBY-UHFFFAOYSA-N 361.942 5.013 10 30 FKCC O=C1C(=Cc2c[nH]c3ccccc23)C(c2ccccc2)=NN1c1ccccc1 2265279806 ZCXMNUAYJKGYSP-UHFFFAOYSA-N 363.420 5.002 10 30 FKCC Cc1n[nH]c(C)c1/N=N/c1ccccc1Oc1ccc(Cl)cc1Cl 4323212 MDKMJPIVELLOTI-GHVJWSGMSA-N 361.232 6.541 10 30 FKCC CC(C)c1ccc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 2265279665 OYXMRZXBMBIGAW-UHFFFAOYSA-N 373.930 5.869 10 30 FKCC Cc1c(C(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)n1-c1ccccc1 1046808 CPUKNHOQEJLPTG-UHFFFAOYSA-N 366.892 5.989 10 30 FKCC CC(=O)Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)cc3)cc2C)cc1 6070049 PXZNMDUMLOIFTI-OGGGYYITSA-N 373.416 6.490 10 30 FKCC CCc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1N1Cc2ccccc2C1 4300915 GSBXDMFAEKGTOY-WCWDXBQESA-N 372.428 6.093 10 30 FKCC CCCCN(CCCC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 4344365 KNBRTHIMUIKCSH-QURGRASLSA-N 354.454 6.417 10 30 FKCC O=S(=O)(O)c1ccc2cc(/N=N/c3cccc4ccccc34)ccc2c1 6118644 MSUYHGURZDLSGY-QURGRASLSA-N 362.410 5.655 10 30 FKCC Cc1cc(SCCC(=O)c2sc3ccccc3c2C)c(C)cc1Cl 2148192 IMBMIXSECWVAOD-UHFFFAOYSA-N 374.958 6.845 10 30 FKCC C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc(/N=N/c2ccccc2)cc1 4773943 NHGTUDJKVXBFSP-MHWUSFCKSA-N 350.293 6.163 10 30 FKCC Cc1cc(C)cc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)c1 1046812 NSZFGQYKUDGFHT-UHFFFAOYSA-N 360.501 5.952 10 30 FKCC Nc1ccc(OCCCCCCOc2ccc(Cl)cc2Cl)cc1 3045832 XRUMEOCQWMFDJR-UHFFFAOYSA-N 354.277 5.594 10 30 FKCC Clc1ccc2c(c1)/C(=C/[C@H]1CN3CCC1CC3)c1ccccc1S2 31477144 FCXKKBQJIUTOHH-LZNAANCOSA-N 353.918 5.578 10 30 FKCC in-man O=C(O)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2Cl)c1O 6118000 RZUULGTVQSQSES-QZQOTICOSA-N 361.184 5.966 10 30 FKCC CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2c(F)cccc2F)cc1 140072556 DXAUBSPLNNMQEU-UHFFFAOYSA-N 366.455 5.277 10 30 FKCC CC(C)(C)OC(=O)Nc1ccc(CN=[N+]=[N-])cc1NC(=O)OC(C)(C)C 2265385094 ATSAQJJQNIRRJK-UHFFFAOYSA-N 363.418 5.191 10 30 FKCC CC(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 4523055 ONEBQAIIFZDIJC-UHFFFAOYSA-N 372.556 6.122 10 30 FKCC CCCc1cc(N=Nc2ccncc2)ccc1OCCCCCC(=O)O 255999408 RKSDFQDWVOJLAU-UHFFFAOYSA-N 355.438 5.473 10 30 FKCC CCCCCOc1ccc(/N=[N+](\[O-])c2ccc(OCCCCC)cc2)cc1 5513004 KJMATSUHPOPLMT-VHXPQNKSSA-N 370.493 6.750 10 30 FKCC BrCc1ccc(/N=N/c2ccc(CBr)cc2)cc1 78494741 ZLDYHLBNKHPRBH-ISLYRVAYSA-N 368.072 5.892 10 30 FKCC CCN(CC)c1ccc2c(c1)O[C@@]1(C=C2)C=Cc2c(ccc3ccccc23)O1 5139486 BOGTVUXFYUTKBK-VWLOTQADSA-N 369.464 5.894 10 30 FKCC O=C(O)c1ccccc1/N=N/c1ccc(Nc2ccccc2)c2ccccc12 5162476 RACYGOQFTYQMKP-OCEACIFDSA-N 367.408 6.697 10 30 FKCC Cc1ccc(Nc2ccc(NC(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 5419862 NCZARQFBEZFMSZ-UHFFFAOYSA-N 370.452 5.334 10 30 FKCC COc1cc(/N=N/c2ccc(O)cc2)c(OC)cc1/N=N/c1ccccc1 111393726 OFKPVDIIXRRPRT-MBALSZOMSA-N 362.389 6.240 10 30 FKCC Cc1nn(-c2cccc(Cl)c2)c(O)c1N=Nc1ccc(C(C)(C)C)cc1 252428548 LQKDZERKNAAEFG-UHFFFAOYSA-N 368.868 6.253 10 30 FKCC Cc1ccc(-c2nc(N)ncc2N=Nc2cc(Cl)cc(Cl)c2)cc1 254713927 GSFQWSILNCLPSB-UHFFFAOYSA-N 358.232 5.756 10 30 FKCC O=[N+]([O-])c1ccc(N=Nc2ccc(Nc3cccc(Cl)c3)cc2)cc1 252428405 CKJHWHCXEKVVMN-UHFFFAOYSA-N 352.781 6.407 10 30 FKCC CCN(CCO[C@@H](C)OCC(C)C)c1ccc(/N=N\c2ccccc2)cc1 100044176 BATVZJPOLFSGTD-QNBCRBJRSA-N 369.509 5.964 10 30 FKCC CCCCCC(=O)Oc1ccc(-c2ccc(C(=O)CC)cc2)cc1N=N 223666756 CBXWLSNONMNWIP-UHFFFAOYSA-N 352.434 6.094 10 30 FKCC CCN(CCO[C@H](C)OCC(C)C)c1ccc(/N=N\c2ccccc2)cc1 100044186 BATVZJPOLFSGTD-OAFDPHIXSA-N 369.509 5.964 10 30 FKCC O=C(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 254751378 MHSUAFYCAOSBHD-UHFFFAOYSA-N 360.442 5.229 10 30 FKCC CCN(CC)c1ccc2c(c1)O[C@]1(C=C2)C=Cc2c(ccc3ccccc23)O1 5139492 BOGTVUXFYUTKBK-RUZDIDTESA-N 369.464 5.894 10 30 FKCC Nc1ccc(OCCCCCCCCCCCOc2ccc(N)cc2)cc1 147057468 JXFCYRAFQGPMTH-UHFFFAOYSA-N 370.537 5.820 10 30 FKCC COc1ccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)cc1 1046810 BNQVVKLDIILJSM-UHFFFAOYSA-N 362.473 5.344 10 30 FKCC CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 100147644 JFHAJIGYSLMZFL-VIZOYTHASA-N 365.647 5.453 10 30 FKCC Cc1c(C(=O)Nc2ccccc2)cc(-c2ccccc2)n1-c1ccccc1 1046821 YBRWBXZPTHGDFS-UHFFFAOYSA-N 352.437 5.705 10 30 FKCC CC1(C)CC(=O)c2sc(/N=N/c3c(O)ccc4ccccc34)nc2C1 96329049 GRKHQUKIVIWXSM-QURGRASLSA-N 351.431 5.572 10 30 FKCC O=C(CSC1=NCCc2ccccc21)c1ccc(-c2ccccc2)cc1 2158783 XIUDWPRCBDNAHW-UHFFFAOYSA-N 357.478 5.272 10 30 FKCC CCN(Cc1ccccc1)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 111391804 UTUZCERLQWINGV-GHVJWSGMSA-N 360.417 6.037 10 30 FKCC CCC(=C/c1sc2ccccc2[n+]1C)/C=C1\Sc2ccccc2N1C 1803708 PHRHLGSYHVJWPK-UHFFFAOYSA-N 365.547 5.603 10 30 FKCC CCCCC(=O)Oc1ccc(/N=N/c2ccc(C(=O)CCCC)cc2)cc1 5819914 IFNWLIHOKYCDEY-WCWDXBQESA-N 366.461 6.571 10 30 FKCC CC(=O)Nc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)c(Cl)c1 38634281 RUOWZMURTIZENY-WCWDXBQESA-N 365.820 6.086 10 30 FKCC CC(=O)c1ccc(/N=N/c2cc(C)c(N3Cc4ccccc4C3)cc2C)cc1 4300914 SVIPPMCHAOZYSJ-OCEACIFDSA-N 369.468 6.442 10 30 FKCC COc1ccc(N=Nc2cnc(-c3ccncc3)nc2-c2ccccc2)cc1 254870183 ZXSXPEQOVJVGFW-UHFFFAOYSA-N 367.412 5.630 10 30 FKCC COc1cccc(NC(=O)c2cc(C(C)(C)C)n(-c3ccccc3)c2C)c1 1046809 COIULMZXEUXVJB-UHFFFAOYSA-N 362.473 5.344 10 30 FKCC Cc1cc2ncc(/N=N/c3ccc(Cl)cc3)c(-c3cccs3)n2n1 4333041 MQMOANPVVFCJEV-QZQOTICOSA-N 353.838 5.835 10 30 FKCC