smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC2=[NH+]C[C@H](Cc3ccc(Br)cc3)S2)cc1 ZINC000000853016 219330795 /nfs/dbraw/zinc/33/07/95/219330795.db2.gz KTKSHXRVVYJJPI-INIZCTEOSA-N 1 2 361.308 4.693 40 30 FJEBLO CSc1ccc(/C=C2/C[NH2+]C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000016952821 211174252 /nfs/dbraw/zinc/17/42/52/211174252.db2.gz YFMYNOUCTKNNOG-WHYMJUELSA-N 1 2 367.539 4.770 40 30 FJEBLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1 ZINC000008471136 263355287 /nfs/dbraw/zinc/35/52/87/263355287.db2.gz YHPZJSAIPLNRGD-OAHLLOKOSA-N 1 2 373.566 4.585 40 30 FJEBLO CCN1c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cn3)cc2[C@@H](C)CC1(C)C ZINC000223527254 521730482 /nfs/dbraw/zinc/73/04/82/521730482.db2.gz DYZRRMABYFXMRD-OFJBCHTGSA-N 1 2 367.453 4.548 40 30 FJEBLO Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408740726 570687688 /nfs/dbraw/zinc/68/76/88/570687688.db2.gz LWZHJIPDWKOOOL-HYARGMPZSA-N 1 2 362.433 4.819 40 30 FJEBLO COc1ccc(C(C)=NNc2cc[nH+]c3cc(Cl)ccc23)c(OC)c1 ZINC000007949608 206212329 /nfs/dbraw/zinc/21/23/29/206212329.db2.gz CBDWAQCPHFHQQG-WSDLNYQXSA-N 1 2 355.825 4.742 40 30 FJEBLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000005611292 522674223 /nfs/dbraw/zinc/67/42/23/522674223.db2.gz PDLOGWAMILOHIQ-ZVHZXABRSA-N 1 2 363.852 4.684 40 30 FJEBLO Cl/C(C=NN1CC[NH+](Cc2ccccc2Cl)CC1)=C\c1ccccc1 ZINC000238937199 526923880 /nfs/dbraw/zinc/92/38/80/526923880.db2.gz UCTUKMAOYUINRI-UHFFFAOYSA-N 1 2 374.315 4.723 40 30 FJEBLO Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408914518 570698700 /nfs/dbraw/zinc/69/87/00/570698700.db2.gz YFKVACOTDAOZCL-YDZHTSKRSA-N 1 2 361.445 4.639 40 30 FJEBLO CSc1ccc(/C=C2\C[NH2+]C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000008655428 204337373 /nfs/dbraw/zinc/33/73/73/204337373.db2.gz YFMYNOUCTKNNOG-MJZABRMRSA-N 1 2 367.539 4.770 40 30 FJEBLO C/C(=N\CCCC/[NH+]=C(\C)c1cc(C)ccc1O)c1cc(C)ccc1O ZINC000104234052 222352764 /nfs/dbraw/zinc/35/27/64/222352764.db2.gz JKCRBGNKFQPQJE-GJHDBBOXSA-N 1 2 352.478 4.813 40 30 FJEBLO Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408742141 263494940 /nfs/dbraw/zinc/49/49/40/263494940.db2.gz VALSFRXCMZWONH-HYARGMPZSA-N 1 2 362.433 4.819 40 30 FJEBLO C/C(CC(=O)c1ccccc1)=N\CCC/[NH+]=C(/C)CC(=O)c1ccccc1 ZINC000103061335 518473506 /nfs/dbraw/zinc/47/35/06/518473506.db2.gz FQQYERHFBVGNBV-ZFQRDYFNSA-N 1 2 362.473 4.844 40 30 FJEBLO C/C(CC(=O)c1ccccc1)=[NH+]\CCC/N=C(/C)CC(=O)c1ccccc1 ZINC000103061335 518473512 /nfs/dbraw/zinc/47/35/12/518473512.db2.gz FQQYERHFBVGNBV-ZFQRDYFNSA-N 1 2 362.473 4.844 40 30 FJEBLO Cc1nn(Cc2ccccc2)c(C)c1/C=[NH+]/CCc1ccc(Cl)cc1 ZINC000035325783 526293616 /nfs/dbraw/zinc/29/36/16/526293616.db2.gz MJNOYHWADUSBFE-OEAKJJBVSA-N 1 2 351.881 4.863 40 30 FJEBLO C[C@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000054201849 205198453 /nfs/dbraw/zinc/19/84/53/205198453.db2.gz QAGILMRZNWONPW-ZWKOTPCHSA-N 1 2 352.522 4.879 40 30 FJEBLO C[C@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000054201849 205198457 /nfs/dbraw/zinc/19/84/57/205198457.db2.gz QAGILMRZNWONPW-ZWKOTPCHSA-N 1 2 352.522 4.879 40 30 FJEBLO Cc1ccc(/C(NC(=S)NC2CCCCC2)=[NH+]\Cc2ccccc2)cc1 ZINC000005928047 206198573 /nfs/dbraw/zinc/19/85/73/206198573.db2.gz WRZXQDWKASDULF-UHFFFAOYSA-N 1 2 365.546 4.739 40 30 FJEBLO CCOC(=O)c1ccc(NC2=[NH+]C3(CCCCC3)Cc3ccccc32)cc1 ZINC000018207070 206324928 /nfs/dbraw/zinc/32/49/28/206324928.db2.gz WFXVFKHVWSBMSH-UHFFFAOYSA-N 1 2 362.473 4.790 40 30 FJEBLO CC(=O)Nc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328956371 520174773 /nfs/dbraw/zinc/17/47/73/520174773.db2.gz AFKXXMQUYCGJSQ-UHFFFAOYSA-N 1 2 365.481 4.872 40 30 FJEBLO CCCCc1ccc(/N=C2\c3ccccc3N(C[NH+](CC)CC)C2=O)cc1 ZINC000034897303 521270350 /nfs/dbraw/zinc/27/03/50/521270350.db2.gz AWZHXCYZMYTPGH-ZNTNEXAZSA-N 1 2 363.505 4.796 40 30 FJEBLO O=C1C=CC(=[NH+]Nc2ccccc2)C=C1C=NNc1ccc([N+](=O)[O-])cn1 ZINC000408749394 570689509 /nfs/dbraw/zinc/68/95/09/570689509.db2.gz GOEHTUUSJPCDBZ-IYZLPOSQSA-N 1 2 362.349 4.557 40 30 FJEBLO Fc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cn1 ZINC000409102718 570724677 /nfs/dbraw/zinc/72/46/77/570724677.db2.gz ZLCVJMSRJKOHDY-BHGWPJFGSA-N 1 2 366.362 4.676 40 30 FJEBLO CCOC(=O)c1ccc(-n2c(C)cc(/C=[NH+]/Cc3ccccc3)c2C)cc1 ZINC000100212187 570759885 /nfs/dbraw/zinc/75/98/85/570759885.db2.gz SBTMDYYULOWIFC-LFVJCYFKSA-N 1 2 360.457 4.890 40 30 FJEBLO C/C(=N/CCCC/[NH+]=C(/C)c1cc(C)ccc1O)c1cc(C)ccc1O ZINC000017140832 570869458 /nfs/dbraw/zinc/86/94/58/570869458.db2.gz JKCRBGNKFQPQJE-BOYKQRMESA-N 1 2 352.478 4.813 40 30 FJEBLO C[C@@H]1N(C2CCCCC2)C2=C(C(=O)CCC2)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000016790340 206320314 /nfs/dbraw/zinc/32/03/14/206320314.db2.gz QAGILMRZNWONPW-ROUUACIJSA-N 1 2 352.522 4.879 40 30 FJEBLO C[C@@H]1N(C2CCCCC2)C2=C(C(=O)CCC2)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000016790340 206320319 /nfs/dbraw/zinc/32/03/19/206320319.db2.gz QAGILMRZNWONPW-ROUUACIJSA-N 1 2 352.522 4.879 40 30 FJEBLO C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000222188356 568503375 /nfs/dbraw/zinc/50/33/75/568503375.db2.gz QAGILMRZNWONPW-MSOLQXFVSA-N 1 2 352.522 4.879 40 30 FJEBLO C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000222188356 568503377 /nfs/dbraw/zinc/50/33/77/568503377.db2.gz QAGILMRZNWONPW-MSOLQXFVSA-N 1 2 352.522 4.879 40 30 FJEBLO Cc1ccc(NC2=[NH+]C[C@@H](Cc3ccc(Br)cc3)S2)cc1 ZINC000000853015 219330720 /nfs/dbraw/zinc/33/07/20/219330720.db2.gz KTKSHXRVVYJJPI-MRXNPFEDSA-N 1 2 361.308 4.693 40 30 FJEBLO CC1=NN(c2ccccc2)C(=O)C1=C[NH2+]N(c1ccccc1)c1ccccc1 ZINC000408742244 570687948 /nfs/dbraw/zinc/68/79/48/570687948.db2.gz VNRHUZXWSNMTGK-ZRZWOPFXSA-N 1 2 368.440 4.849 40 30 FJEBLO Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408742618 570688266 /nfs/dbraw/zinc/68/82/66/570688266.db2.gz WVRWVWQVASJSNB-LFVJCYFKSA-N 1 2 360.505 4.977 40 30 FJEBLO CCOC(=O)c1cccc(-n2c(C)cc(/C=[NH+]/Cc3ccccc3)c2C)c1 ZINC000408968135 570705070 /nfs/dbraw/zinc/70/50/70/570705070.db2.gz UKGHMKYDWYGMKY-LFVJCYFKSA-N 1 2 360.457 4.890 40 30 FJEBLO Cc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cn1 ZINC000409070235 570719565 /nfs/dbraw/zinc/71/95/65/570719565.db2.gz LCXRJVPQXRQVJG-WYMPLXKRSA-N 1 2 362.399 4.845 40 30 FJEBLO Cc1cc(C)n(/C(=[NH+]\c2ccc(Br)cc2)c2ccccc2)n1 ZINC000101636906 222279230 /nfs/dbraw/zinc/27/92/30/222279230.db2.gz LUPPCEHNOIHKCA-ZZEZOPTASA-N 1 2 354.251 4.889 40 30 FJEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000059105276 571087394 /nfs/dbraw/zinc/08/73/94/571087394.db2.gz YBGSCKSECPIPLM-FYJGNVAPSA-N 1 2 368.824 4.856 40 30 FJEBLO CCOC(=O)C(C/[NH+]=C/c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017300742 211182942 /nfs/dbraw/zinc/18/29/42/211182942.db2.gz LFCZBRMGEVRQSJ-XIEYBQDHSA-N 1 2 357.453 4.655 40 30 FJEBLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1 ZINC000008471162 263355361 /nfs/dbraw/zinc/35/53/61/263355361.db2.gz YHPZJSAIPLNRGD-HNNXBMFYSA-N 1 2 373.566 4.585 40 30 FJEBLO CC(C)(C)c1ccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000012381698 263370751 /nfs/dbraw/zinc/37/07/51/263370751.db2.gz WOBOQOBAWLSSHX-JLPGSUDCSA-N 1 2 369.940 4.789 40 30 FJEBLO CC(C)(C#N)NC1CCC(C(C)(C)C2CCC([NH2+]C(C)(C)C#N)CC2)CC1 ZINC000255189480 518507567 /nfs/dbraw/zinc/50/75/67/518507567.db2.gz QDARYJJCMWWGKI-UHFFFAOYSA-N 1 2 372.601 4.914 40 30 FJEBLO C[C@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000208205040 132268221 /nfs/dbraw/zinc/26/82/21/132268221.db2.gz PVQKHFUEMDIYAU-HADWXUJASA-N 1 2 352.438 4.763 40 30 FJEBLO Cc1cc2c(cc1C=[NH+]Nc1ccc([N+](=O)[O-])cc1)C(C)=CC(C)(C)N2C ZINC000208456491 132269168 /nfs/dbraw/zinc/26/91/68/132269168.db2.gz IRKNOMFSZPWTPL-LPYMAVHISA-N 1 2 364.449 4.981 40 30 FJEBLO COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000408952223 570702412 /nfs/dbraw/zinc/70/24/12/570702412.db2.gz LMGJWBKTYFIGCI-HYARGMPZSA-N 1 2 353.853 4.956 40 30 FJEBLO CC(=O)Nc1ccc(/N=C/c2[nH+]c(-c3ccccc3)n3ccccc23)cc1 ZINC000001236097 219392776 /nfs/dbraw/zinc/39/27/76/219392776.db2.gz NZWRWOYYLFLPSY-HZHRSRAPSA-N 1 2 354.413 4.710 40 30 FJEBLO COc1ccc(C(C)=NNc2cc[nH+]c3cc(Cl)ccc23)cc1OC ZINC000007949651 219834731 /nfs/dbraw/zinc/83/47/31/219834731.db2.gz ZIUROHVRQSDFSU-WSDLNYQXSA-N 1 2 355.825 4.742 40 30 FJEBLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000020533726 220331522 /nfs/dbraw/zinc/33/15/22/220331522.db2.gz LQSXETYRUCFCQN-LPYMAVHISA-N 1 2 358.401 4.561 40 30 FJEBLO C=CCOc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569016 519068276 /nfs/dbraw/zinc/06/82/76/519068276.db2.gz YQTVZZUEFYWUPC-UHFFFAOYSA-N 1 2 362.448 4.988 40 30 FJEBLO C=CCOc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569016 519068283 /nfs/dbraw/zinc/06/82/83/519068283.db2.gz YQTVZZUEFYWUPC-UHFFFAOYSA-N 1 2 362.448 4.988 40 30 FJEBLO ClC(/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1)=C\c1ccccc1 ZINC000016771375 526922608 /nfs/dbraw/zinc/92/26/08/526922608.db2.gz UCTUKMAOYUINRI-GWJJEOHVSA-N 1 2 374.315 4.723 40 30 FJEBLO ClC(/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1)=C\c1ccccc1 ZINC000019790558 526922627 /nfs/dbraw/zinc/92/26/27/526922627.db2.gz UCTUKMAOYUINRI-ONRFTTIKSA-N 1 2 374.315 4.723 40 30 FJEBLO Cc1cc(/C=N/n2cc(-c3ccccc3)[nH+]c2N)c(C)n1-c1ccc(C)cc1 ZINC000008164001 568277767 /nfs/dbraw/zinc/27/77/67/568277767.db2.gz FYPZDTQBTSTNEE-AFUMVMLFSA-N 1 2 369.472 4.730 40 30 FJEBLO CCOC(=O)c1ccc(/N=C/c2[nH+]c(-c3ccccc3)n3ccccc23)cc1 ZINC000001236099 219392133 /nfs/dbraw/zinc/39/21/33/219392133.db2.gz FLCZLHLEGSOSMG-LFVJCYFKSA-N 1 2 369.424 4.929 40 30 FJEBLO CSc1ccc(/C=C2\C[NH2+]C/C(=C\c3ccc(SC)cc3)C2=O)cc1 ZINC000031817448 208018306 /nfs/dbraw/zinc/01/83/06/208018306.db2.gz YFMYNOUCTKNNOG-JYFOCSDGSA-N 1 2 367.539 4.770 40 30 FJEBLO CC1=[NH+]c2ccccc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000104200838 132238101 /nfs/dbraw/zinc/23/81/01/132238101.db2.gz CXXIYKBZSLAGHP-WQRHYEAKSA-N 1 2 362.816 4.685 40 30 FJEBLO CC1=[NH+]c2ccccc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000031759894 571055642 /nfs/dbraw/zinc/05/56/42/571055642.db2.gz CXXIYKBZSLAGHP-WOJGMQOQSA-N 1 2 362.816 4.685 40 30 FJEBLO C[C@@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000208205002 132268241 /nfs/dbraw/zinc/26/82/41/132268241.db2.gz PVQKHFUEMDIYAU-CNRHGSOZSA-N 1 2 352.438 4.763 40 30 FJEBLO CCOc1ccc([NH+]=C2SCCN2CC(=O)c2ccc(C)c(C)c2)cc1 ZINC000096402045 570644185 /nfs/dbraw/zinc/64/41/85/570644185.db2.gz DLQFHNSYFABCHW-QURGRASLSA-N 1 2 368.502 4.621 40 30 FJEBLO CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)cc1 ZINC000408740742 570687593 /nfs/dbraw/zinc/68/75/93/570687593.db2.gz MAVGCOWOYIUALZ-BUVRLJJBSA-N 1 2 374.488 4.869 40 30 FJEBLO COc1ccc(/N=C/c2cccn2-c2ccc([NH+](C)C)cc2)cc1Cl ZINC000139862490 571311122 /nfs/dbraw/zinc/31/11/22/571311122.db2.gz BABMIQFKUYNANV-HYARGMPZSA-N 1 2 353.853 4.956 40 30 FJEBLO C/C(CC(=O)c1ccccc1)=N/CCC/[NH+]=C(/C)CC(=O)c1ccccc1 ZINC000005502767 518474277 /nfs/dbraw/zinc/47/42/77/518474277.db2.gz FQQYERHFBVGNBV-GJEUYDLNSA-N 1 2 362.473 4.844 40 30 FJEBLO O=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000091302748 571158871 /nfs/dbraw/zinc/15/88/71/571158871.db2.gz YLOUDHXZAFVYCU-UHFFFAOYSA-N 1 2 366.464 4.855 40 30 FJEBLO O=C(Nc1ccc(/[NH+]=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000005581090 207107427 /nfs/dbraw/zinc/10/74/27/207107427.db2.gz YAJQPNPRUZJGCK-VBNUZUJXSA-N 1 2 361.357 4.856 40 30 FJEBLO C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000054201847 221051049 /nfs/dbraw/zinc/05/10/49/221051049.db2.gz QAGILMRZNWONPW-QZTJIDSGSA-N 1 2 352.522 4.879 40 30 FJEBLO C[C@@H]1C2=C(CCCC2=O)N(C2CCCCC2)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000054201847 221051052 /nfs/dbraw/zinc/05/10/52/221051052.db2.gz QAGILMRZNWONPW-QZTJIDSGSA-N 1 2 352.522 4.879 40 30 FJEBLO COc1cc(C=[NH+]Nc2ccccc2)c(OC)cc1C=NNc1ccccc1 ZINC000006735463 263346163 /nfs/dbraw/zinc/34/61/63/263346163.db2.gz YFOZOHUXDSHBLW-DFEHQXHXSA-N 1 2 374.444 4.596 40 30 FJEBLO CC(=C\c1ccccc1)/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019771775 263376901 /nfs/dbraw/zinc/37/69/01/263376901.db2.gz KWVXTUBVGIUVEN-PTUHFYJISA-N 1 2 353.897 4.547 40 30 FJEBLO C/C(C=NN1CC[NH+](Cc2ccccc2Cl)CC1)=C\c1ccccc1 ZINC000238901103 518474303 /nfs/dbraw/zinc/47/43/03/518474303.db2.gz KWVXTUBVGIUVEN-UHFFFAOYSA-N 1 2 353.897 4.547 40 30 FJEBLO Fc1cc(C=[NH+]Nc2ccc(C(F)(F)F)cn2)ccc1N1CCCCC1 ZINC000409091721 570721961 /nfs/dbraw/zinc/72/19/61/570721961.db2.gz UACKNSHVVYWNJP-BHGWPJFGSA-N 1 2 366.362 4.676 40 30 FJEBLO Brc1cccc(/C=C/C=[NH+]/c2ccc(N3CCOCC3)cc2)c1 ZINC000004712818 132254975 /nfs/dbraw/zinc/25/49/75/132254975.db2.gz LHBPIOSCCWAVCF-ZWPYRXLESA-N 1 2 371.278 4.701 40 30 FJEBLO CC1=CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000208436191 132268738 /nfs/dbraw/zinc/26/87/38/132268738.db2.gz CMTAZHREILSPHA-FYJGNVAPSA-N 1 2 350.422 4.673 40 30 FJEBLO C/C(CC(=O)c1ccccc1)=N\CCC/[NH+]=C(\C)CC(=O)c1ccccc1 ZINC000103061331 518473963 /nfs/dbraw/zinc/47/39/63/518473963.db2.gz FQQYERHFBVGNBV-SIHVKLMXSA-N 1 2 362.473 4.844 40 30 FJEBLO Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408591146 570572326 /nfs/dbraw/zinc/57/23/26/570572326.db2.gz ISNVUUURNSPJRT-MFKUBSTISA-N 1 2 372.472 4.583 40 30 FJEBLO CC1=NN(c2ccccc2)C(=O)C1=C[NH2+]N(c1ccccc1)c1ccccc1 ZINC000408742242 570688217 /nfs/dbraw/zinc/68/82/17/570688217.db2.gz VNRHUZXWSNMTGK-PCCDRTMGSA-N 1 2 368.440 4.849 40 30 FJEBLO Cc1cc(N2CCCC2)c(F)cc1C=[NH+]Nc1ccc(C(F)(F)F)cn1 ZINC000107926004 571310863 /nfs/dbraw/zinc/31/08/63/571310863.db2.gz SAYSLWFYLYAWST-VROXFSQNSA-N 1 2 366.362 4.594 40 30 FJEBLO