smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000026145364 561767049 /nfs/dbraw/zinc/76/70/49/561767049.db2.gz CLDCYFHRPLLHRN-IZZNHLLZSA-N 1 3 569.732 0.661 1 0 KCAFHO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000026145372 561766984 /nfs/dbraw/zinc/76/69/84/561766984.db2.gz CLDCYFHRPLLHRN-UIOOFZCWSA-N 1 3 569.732 0.661 1 0 KCAFHO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H](N)CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=O ZINC000026271694 561777318 /nfs/dbraw/zinc/77/73/18/561777318.db2.gz AFUKOGGTPWMWJR-FQEVSTJZSA-N 1 3 556.668 0.441 1 0 KCAFHO CCCCN[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000026483987 561792180 /nfs/dbraw/zinc/79/21/80/561792180.db2.gz VIWCHCNVHJHERJ-IHZBLBIESA-N 1 3 714.872 0.472 1 0 KCAFHO NCC(=O)NC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+])C(=O)NCCC1CCCCC1 ZINC000027213470 561847699 /nfs/dbraw/zinc/84/76/99/561847699.db2.gz QUEGMHWCABHOOR-GOTSBHOMSA-N 1 3 540.750 0.579 1 0 KCAFHO C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027406550 561855526 /nfs/dbraw/zinc/85/55/26/561855526.db2.gz WCYJEPJKWNSKGF-FGYHWIECSA-N 1 3 728.895 0.120 1 0 KCAFHO N=C(CCCS[C@@H]1CC(=O)N(COC(=O)CNC(=O)c2cccc(I)c2)C1=O)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000028103288 561901942 /nfs/dbraw/zinc/90/19/42/561901942.db2.gz FVGRFIZMDPVDBK-ZWKOTPCHSA-N 1 3 660.535 0.712 1 0 KCAFHO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccc(Cl)cc1 ZINC000028770162 561961169 /nfs/dbraw/zinc/96/11/69/561961169.db2.gz CIWFFKCKRVBNKY-SAGWHXFDSA-N 1 3 597.164 0.951 1 0 KCAFHO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCc1ccccc1 ZINC000028770642 561961252 /nfs/dbraw/zinc/96/12/52/561961252.db2.gz YZSIAGKEGXROBU-NDIVSWGXSA-N 1 3 548.692 0.255 1 0 KCAFHO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)C(=O)NCCc1ccccc1 ZINC000028770821 561961266 /nfs/dbraw/zinc/96/12/66/561961266.db2.gz PYTGVMNMEXWEOU-SAGWHXFDSA-N 1 3 562.719 0.298 1 0 KCAFHO CN(CCC[NH3+])CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC=O)cn3C)cn2C)cn1C ZINC000029128309 562000711 /nfs/dbraw/zinc/00/07/11/562000711.db2.gz JHDKYWFCXJZGKV-UHFFFAOYSA-N 1 3 540.629 0.571 1 0 KCAFHO COC(=O)[C@H](CSn1cc(C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)OC)c2ccccc21)NC(C)=O ZINC000029400063 562019478 /nfs/dbraw/zinc/01/94/78/562019478.db2.gz VVYOCZLEUCENDG-ZCNNSNEGSA-N 1 3 521.640 0.472 1 0 KCAFHO COC(=O)[C@H](CSn1cc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)OC)c2ccccc21)NC(C)=O ZINC000029400068 562019483 /nfs/dbraw/zinc/01/94/83/562019483.db2.gz VVYOCZLEUCENDG-UFYCRDLUSA-N 1 3 521.640 0.472 1 0 KCAFHO C[NH2+][C@H](CC(C)C)C(=O)N[C@@H](CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(N)=O ZINC000029403661 562020309 /nfs/dbraw/zinc/02/03/09/562020309.db2.gz QEIVQUMCZWLWHO-AQCTUAEDSA-N 1 3 575.714 0.712 1 0 KCAFHO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H](N)CCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=O ZINC000029545755 562029764 /nfs/dbraw/zinc/02/97/64/562029764.db2.gz AFUKOGGTPWMWJR-HXUWFJFHSA-N 1 3 556.668 0.441 1 0 KCAFHO C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029570874 562035599 /nfs/dbraw/zinc/03/55/99/562035599.db2.gz ONFGNOWUGUIKMU-STRUACEYSA-N 1 3 697.841 0.492 1 0 KCAFHO C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029570874 562035597 /nfs/dbraw/zinc/03/55/97/562035597.db2.gz ONFGNOWUGUIKMU-STRUACEYSA-N 1 3 697.841 0.492 1 0 KCAFHO NC(=[NH2+])NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)[N-]S(=O)(=O)Cc2ccc3ccccc3c2)CC1 ZINC000036107726 562047332 /nfs/dbraw/zinc/04/73/32/562047332.db2.gz SZACOCRLRDPNPP-VWLOTQADSA-N 1 3 592.726 0.699 1 0 KCAFHO COC(=O)[C@H](CSn1cc(C[C@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)OC)c2ccccc21)NC(C)=O ZINC000040843444 562080147 /nfs/dbraw/zinc/08/01/47/562080147.db2.gz VVYOCZLEUCENDG-AABGKKOBSA-N 1 3 521.640 0.472 1 0 KCAFHO COC(=O)[C@H](CSn1cc(C[C@@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)OC)c2ccccc21)NC(C)=O ZINC000040843449 562080173 /nfs/dbraw/zinc/08/01/73/562080173.db2.gz VVYOCZLEUCENDG-AQNXPRMDSA-N 1 3 521.640 0.472 1 0 KCAFHO [NH3+]CCCCNCC(=O)N(CCOCc1ccccc1)CC(=O)NCC(=O)N(CCCC[NH3+])CC(=O)N(CCOCc1ccccc1)CC(=O)[O-] ZINC000049757127 562675540 /nfs/dbraw/zinc/67/55/40/562675540.db2.gz CKVOSMFISPFBRA-UHFFFAOYSA-N 1 3 713.877 0.174 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)CNCCC[NH2+]C[C@H](O)COC[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000049871987 562689700 /nfs/dbraw/zinc/68/97/00/562689700.db2.gz PIHRXWTUCJTORA-BJLVNBMLSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)C[NH2+]CCCNC[C@H](O)COC[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000049871987 562689699 /nfs/dbraw/zinc/68/96/99/562689699.db2.gz PIHRXWTUCJTORA-BJLVNBMLSA-N 1 3 706.827 0.104 1 0 KCAFHO N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1 ZINC000072116986 562723305 /nfs/dbraw/zinc/72/33/05/562723305.db2.gz FLYMDDTWCHHRGP-SDHSZQHLSA-N 1 3 519.650 0.721 1 0 KCAFHO N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C(=O)NCCCC[NH3+])[C@H](C(=O)NCCc2ccc3ccccc3c2)C1 ZINC000072116986 562723304 /nfs/dbraw/zinc/72/33/04/562723304.db2.gz FLYMDDTWCHHRGP-SDHSZQHLSA-N 1 3 519.650 0.721 1 0 KCAFHO N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118127 562723401 /nfs/dbraw/zinc/72/34/01/562723401.db2.gz SOMAZWVCWMGZQF-ZLNRFVROSA-N 1 3 522.654 0.440 1 0 KCAFHO C[NH+](C)CCCN1CCN(C(=O)C[C@@H]([N-]S(=O)(=O)Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000072178668 562732123 /nfs/dbraw/zinc/73/21/23/562732123.db2.gz RMXYCMJHNDRXSN-WDYNHAJCSA-N 1 3 668.865 0.552 1 0 KCAFHO COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNCCC[NH2+]CCC1 ZINC000084596504 562743674 /nfs/dbraw/zinc/74/36/74/562743674.db2.gz PDJBIDMTFGJZSI-ZEQRLZLVSA-N 1 3 519.687 0.789 1 0 KCAFHO CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+])C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC000095542549 562756796 /nfs/dbraw/zinc/75/67/96/562756796.db2.gz DJGRYKYPCNNKIM-XYPUQJIVSA-N 1 3 814.985 0.648 1 0 KCAFHO NC(=[NH2+])NCCC[C@H](N)C(=O)NCCN(CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095544608 562757711 /nfs/dbraw/zinc/75/77/11/562757711.db2.gz KIEQJMIQLLZVLA-CHQNGUEUSA-N 1 3 798.943 0.612 1 0 KCAFHO C[NH2+]CCNC(=O)COCC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000095547356 562758703 /nfs/dbraw/zinc/75/87/03/562758703.db2.gz RRUUXHKYAALUNZ-MUUNZHRXSA-N 1 3 749.697 0.471 1 0 KCAFHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)[O-] ZINC000095562265 562763645 /nfs/dbraw/zinc/76/36/45/562763645.db2.gz VBYYCTAAPMRPJS-QORCZRPOSA-N 1 3 554.692 0.206 1 0 KCAFHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC[NH3+])C(=O)[O-] ZINC000095562266 562763624 /nfs/dbraw/zinc/76/36/24/562763624.db2.gz VBYYCTAAPMRPJS-NDBXHCKUSA-N 1 3 554.692 0.206 1 0 KCAFHO CC(C)C[C@@H]1CN[C@@H](CCCC[NH3+])C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 ZINC000095611183 562784876 /nfs/dbraw/zinc/78/48/76/562784876.db2.gz CNHFUCVVNJHVGI-XRSWUUPYSA-N 1 3 759.953 0.811 1 0 KCAFHO NC(=[NH2+])NCCCC1NC(=O)C(Cc2ccccc2)NC(=O)c2cccc(n2)C(=O)NCCCCC(C(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O ZINC000095613500 562786359 /nfs/dbraw/zinc/78/63/59/562786359.db2.gz PRDKVDXHWLLADO-ZKKLFSJWSA-N 1 3 765.876 0.263 1 0 KCAFHO CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cc(Cl)ccc2OCC(=O)N2CCC([NH+](C)C)CC2)[C@H](O)[C@@H]1N ZINC000096314038 562796509 /nfs/dbraw/zinc/79/65/09/562796509.db2.gz DMWRASQXUSJWLX-ONLLFZDPSA-N 1 3 602.096 0.355 1 0 KCAFHO CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096915713 562801052 /nfs/dbraw/zinc/80/10/52/562801052.db2.gz CBTSNZWNANLVHP-PGXSJUQOSA-N 1 3 619.771 0.674 1 0 KCAFHO CCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096916112 562801180 /nfs/dbraw/zinc/80/11/80/562801180.db2.gz UCZFZQXDYDFPCT-KJJMTIBFSA-N 1 3 546.717 0.140 1 0 KCAFHO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCCC(=O)[O-])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000103258380 562821018 /nfs/dbraw/zinc/82/10/18/562821018.db2.gz HBSORMIZGCNHGO-LEWJYISDSA-N 1 3 530.674 0.738 1 0 KCAFHO CNCCNC(=[NH2+])N1C=C[C@@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCCCC4=O ZINC000103524569 291657868 /nfs/dbraw/zinc/65/78/68/291657868.db2.gz HECCMWNGTYQREI-QTEFPMAISA-N 1 3 529.682 0.819 1 0 biogenic,in-vitro KCAFHO CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC)C[C@]32[C@H](C)CC1 ZINC000103524655 291657860 /nfs/dbraw/zinc/65/78/60/291657860.db2.gz PTOLWVNHPIDXPL-OTGVCDRTSA-N 1 3 505.660 0.343 1 0 biogenic,in-vitro KCAFHO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000139183537 562832386 /nfs/dbraw/zinc/83/23/86/562832386.db2.gz CLDCYFHRPLLHRN-FTJBHMTQSA-N 1 3 569.732 0.661 1 0 KCAFHO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000139183658 562832365 /nfs/dbraw/zinc/83/23/65/562832365.db2.gz CLDCYFHRPLLHRN-CLJLJLNGSA-N 1 3 569.732 0.661 1 0 KCAFHO N=C(CCCS[C@H]1CC(=O)N(COC(=O)CNC(=O)c2cccc(I)c2)C1=O)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000150543852 562844312 /nfs/dbraw/zinc/84/43/12/562844312.db2.gz FVGRFIZMDPVDBK-ROUUACIJSA-N 1 3 660.535 0.712 1 0 KCAFHO CC(=O)NCCCC[C@H](NC(=O)Cc1csc(=N)n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NC1CCN(C)CC1 ZINC000169309515 562854347 /nfs/dbraw/zinc/85/43/47/562854347.db2.gz SVWPPCZMFAUPHT-KYJUHHDHSA-O 1 3 680.900 0.512 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)CNCCC[NH2+]C[C@@H](O)COC[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000169345772 562861701 /nfs/dbraw/zinc/86/17/01/562861701.db2.gz PIHRXWTUCJTORA-HPDICUHUSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)C[NH2+]CCCNC[C@@H](O)COC[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000169345772 562861700 /nfs/dbraw/zinc/86/17/00/562861700.db2.gz PIHRXWTUCJTORA-HPDICUHUSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)CNCCC[NH2+]C[C@@H](O)COC[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000253636737 562882328 /nfs/dbraw/zinc/88/23/28/562882328.db2.gz PIHRXWTUCJTORA-WTDDFXMNSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)C[NH2+]CCCNC[C@@H](O)COC[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000253636737 562882327 /nfs/dbraw/zinc/88/23/27/562882327.db2.gz PIHRXWTUCJTORA-WTDDFXMNSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)CNCCC[NH2+]C[C@H](O)COC[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000253636741 562882344 /nfs/dbraw/zinc/88/23/44/562882344.db2.gz PIHRXWTUCJTORA-YVFWZWRDSA-N 1 3 706.827 0.104 1 0 KCAFHO CC1(C)O[C@H]2O[C@@H](COC[C@H](O)C[NH2+]CCCNC[C@H](O)COC[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000253636741 562882343 /nfs/dbraw/zinc/88/23/43/562882343.db2.gz PIHRXWTUCJTORA-YVFWZWRDSA-N 1 3 706.827 0.104 1 0 KCAFHO CCCC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000473121677 562899434 /nfs/dbraw/zinc/89/94/34/562899434.db2.gz QOICQJBIVUKVMD-FYQPLNBISA-N 1 3 500.685 0.491 1 0 KCAFHO CCCC[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000473121678 562899444 /nfs/dbraw/zinc/89/94/44/562899444.db2.gz QOICQJBIVUKVMD-MUGJNUQGSA-N 1 3 500.685 0.491 1 0 KCAFHO CCCC[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000473121679 562899440 /nfs/dbraw/zinc/89/94/40/562899440.db2.gz QOICQJBIVUKVMD-YRPNKDGESA-N 1 3 500.685 0.491 1 0 KCAFHO CCCC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000473121680 562899430 /nfs/dbraw/zinc/89/94/30/562899430.db2.gz QOICQJBIVUKVMD-ZRNYENFQSA-N 1 3 500.685 0.491 1 0 KCAFHO