smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858125874 682936410 /nfs/dbraw/zinc/93/64/10/682936410.db2.gz ODEVLBPXHPVOIK-HNNXBMFYSA-N 1 3 354.489 2.394 20 10 FECDHO C[NH+](C)C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H]1C[NH+](C)C ZINC000877671225 686434021 /nfs/dbraw/zinc/43/40/21/686434021.db2.gz SUZHRJDFZGPISI-ZIAGYGMSSA-N 1 3 370.335 2.326 20 10 FECDHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625150 556923975 /nfs/dbraw/zinc/92/39/75/556923975.db2.gz VKKDIJRKTXLVMN-AZUAARDMSA-N 1 3 372.557 2.342 20 10 FECDHO Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526927377 562269647 /nfs/dbraw/zinc/26/96/47/562269647.db2.gz KOOBNVMIRYYGKV-UHFFFAOYSA-N 1 3 359.518 2.122 20 10 FECDHO COc1cc(Cl)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1[O-] ZINC000841086481 680862656 /nfs/dbraw/zinc/86/26/56/680862656.db2.gz ASMZYEKBLQILQQ-UHFFFAOYSA-N 1 3 353.894 2.360 20 10 FECDHO CN(C)c1ccc(CN(C)C(=O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056522892 540731628 /nfs/dbraw/zinc/73/16/28/540731628.db2.gz FMTFPRUTEYMQBH-UHFFFAOYSA-N 1 3 360.546 2.375 20 10 FECDHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925816603 683040219 /nfs/dbraw/zinc/04/02/19/683040219.db2.gz ZQNHOFFWZKLBHA-OAHLLOKOSA-N 1 3 366.937 2.250 20 10 FECDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153744953 672203793 /nfs/dbraw/zinc/20/37/93/672203793.db2.gz BMBNIZLSRZJQRQ-INIZCTEOSA-N 1 3 353.482 2.281 20 10 FECDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153744953 672203796 /nfs/dbraw/zinc/20/37/96/672203796.db2.gz BMBNIZLSRZJQRQ-INIZCTEOSA-N 1 3 353.482 2.281 20 10 FECDHO COc1ccc(N2CCC([NH2+]CCCN3CCCN(C)CC3)CC2)cc1 ZINC000128394697 544050161 /nfs/dbraw/zinc/05/01/61/544050161.db2.gz QWFCLUDEZUDNFB-UHFFFAOYSA-N 1 3 360.546 2.281 20 10 FECDHO O[C@@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)F ZINC000819200346 675269264 /nfs/dbraw/zinc/26/92/64/675269264.db2.gz OHRMNMKKMNQTPU-KRWDZBQOSA-N 1 3 357.420 2.231 20 10 FECDHO [O-]c1ccc(Br)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841087060 680862667 /nfs/dbraw/zinc/86/26/67/680862667.db2.gz ITQBCPUIQROVII-UHFFFAOYSA-N 1 3 368.319 2.461 20 10 FECDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058507 680985064 /nfs/dbraw/zinc/98/50/64/680985064.db2.gz UTJZIDYWUIJIMZ-YOEHRIQHSA-N 1 3 365.905 2.434 20 10 FECDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058507 680985065 /nfs/dbraw/zinc/98/50/65/680985065.db2.gz UTJZIDYWUIJIMZ-YOEHRIQHSA-N 1 3 365.905 2.434 20 10 FECDHO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052771 556205715 /nfs/dbraw/zinc/20/57/15/556205715.db2.gz YQKUTBXFIMGIJX-LJQANCHMSA-N 1 3 372.557 2.124 20 10 FECDHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625152 556924103 /nfs/dbraw/zinc/92/41/03/556924103.db2.gz VKKDIJRKTXLVMN-QUCCMNQESA-N 1 3 372.557 2.342 20 10 FECDHO CN(C)c1ccc(CNC(=O)CN2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000376381751 558166017 /nfs/dbraw/zinc/16/60/17/558166017.db2.gz BWDBWKLJYDQYNF-UHFFFAOYSA-N 1 3 358.530 2.177 20 10 FECDHO Cc1cc(Cl)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1[O-] ZINC000841070194 680861886 /nfs/dbraw/zinc/86/18/86/680861886.db2.gz LWDIGLNPXCNXFV-ZDUSSCGKSA-N 1 3 351.800 2.280 20 10 FECDHO CN(C)c1ccc(/C=C/CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070042 680861724 /nfs/dbraw/zinc/86/17/24/680861724.db2.gz IZCDSTASDCZTSN-IDOMTICXSA-N 1 3 356.436 2.192 20 10 FECDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000817936045 675187047 /nfs/dbraw/zinc/18/70/47/675187047.db2.gz MLULXXJQSNZCNT-CYBMUJFWSA-N 1 3 356.308 2.409 20 10 FECDHO COc1cc(Br)cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1[O-] ZINC000848546786 681575826 /nfs/dbraw/zinc/57/58/26/681575826.db2.gz FKMHJNNCWPNERN-LLVKDONJSA-N 1 3 361.280 2.392 20 10 FECDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858125875 682936379 /nfs/dbraw/zinc/93/63/79/682936379.db2.gz ODEVLBPXHPVOIK-OAHLLOKOSA-N 1 3 354.489 2.394 20 10 FECDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153745058 672203683 /nfs/dbraw/zinc/20/36/83/672203683.db2.gz BMBNIZLSRZJQRQ-MRXNPFEDSA-N 1 3 353.482 2.281 20 10 FECDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153745058 672203684 /nfs/dbraw/zinc/20/36/84/672203684.db2.gz BMBNIZLSRZJQRQ-MRXNPFEDSA-N 1 3 353.482 2.281 20 10 FECDHO Cc1cc(Cl)cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1[O-] ZINC000863641843 683756030 /nfs/dbraw/zinc/75/60/30/683756030.db2.gz CXNQBZHURUTCOF-CVEARBPZSA-N 1 3 365.861 2.111 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789592 550116278 /nfs/dbraw/zinc/11/62/78/550116278.db2.gz BLDSBADOHBEUDO-BBTUJRGHSA-N 1 3 360.546 2.136 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789592 550116281 /nfs/dbraw/zinc/11/62/81/550116281.db2.gz BLDSBADOHBEUDO-BBTUJRGHSA-N 1 3 360.546 2.136 20 10 FECDHO C[N@@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000282439044 551228926 /nfs/dbraw/zinc/22/89/26/551228926.db2.gz RTVTTYVEUUTPOB-UHFFFAOYSA-N 1 3 356.308 2.270 20 10 FECDHO C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2[O-])CC1(C)C ZINC000282439044 551228928 /nfs/dbraw/zinc/22/89/28/551228928.db2.gz RTVTTYVEUUTPOB-UHFFFAOYSA-N 1 3 356.308 2.270 20 10 FECDHO C[NH+](C)C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H]1C[NH+](C)C ZINC000877670056 686433990 /nfs/dbraw/zinc/43/39/90/686433990.db2.gz GTCSMAGTGWWVNH-HUUCEWRRSA-N 1 3 370.335 2.326 20 10 FECDHO COc1ccc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000192619230 548368061 /nfs/dbraw/zinc/36/80/61/548368061.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 1 3 372.557 2.422 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789594 550116382 /nfs/dbraw/zinc/11/63/82/550116382.db2.gz BLDSBADOHBEUDO-DBXWQHBBSA-N 1 3 360.546 2.136 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789594 550116384 /nfs/dbraw/zinc/11/63/84/550116384.db2.gz BLDSBADOHBEUDO-DBXWQHBBSA-N 1 3 360.546 2.136 20 10 FECDHO CN(C)c1ccc(/C=C\CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070040 680861660 /nfs/dbraw/zinc/86/16/60/680861660.db2.gz IZCDSTASDCZTSN-CWIOURORSA-N 1 3 356.436 2.192 20 10 FECDHO CN1CCN(c2ccc(CN3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227124 685099750 /nfs/dbraw/zinc/09/97/50/685099750.db2.gz BZNOXKZMQBUFHK-NVXWUHKLSA-N 1 3 356.436 2.007 20 10 FECDHO COc1ccc(N2CCC([NH2+]CCN3CCN(C)C(C)(C)C3)CC2)cc1 ZINC000374242669 557849258 /nfs/dbraw/zinc/84/92/58/557849258.db2.gz ZPWKKDHPYTZSOL-UHFFFAOYSA-N 1 3 360.546 2.280 20 10 FECDHO COCC1(C[NH2+]Cc2cc(Br)cc(OC)c2[O-])CC[NH2+]CC1 ZINC000841068472 680861703 /nfs/dbraw/zinc/86/17/03/680861703.db2.gz PVOFLCKTDQYRCO-UHFFFAOYSA-N 1 3 373.291 2.269 20 10 FECDHO COc1cc(O)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC000368052599 556204980 /nfs/dbraw/zinc/20/49/80/556204980.db2.gz XDTNIBQLCILOIF-KRWDZBQOSA-N 1 3 363.502 2.010 20 10 FECDHO COc1cc(O)c(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC000368052599 556204981 /nfs/dbraw/zinc/20/49/81/556204981.db2.gz XDTNIBQLCILOIF-KRWDZBQOSA-N 1 3 363.502 2.010 20 10 FECDHO CN(C)c1ccc(/C=C/CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070046 680861834 /nfs/dbraw/zinc/86/18/34/680861834.db2.gz IZCDSTASDCZTSN-REMYHPOOSA-N 1 3 356.436 2.192 20 10 FECDHO CN1CCN(c2ccc(CN3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227126 685099408 /nfs/dbraw/zinc/09/94/08/685099408.db2.gz BZNOXKZMQBUFHK-WBVHZDCISA-N 1 3 356.436 2.007 20 10 FECDHO C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])CN1CC[NH+](C)CC1 ZINC000825247743 675643392 /nfs/dbraw/zinc/64/33/92/675643392.db2.gz WLWLQPLDBODAEZ-ZDUSSCGKSA-N 1 3 356.308 2.128 20 10 FECDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000853247802 682398535 /nfs/dbraw/zinc/39/85/35/682398535.db2.gz BMPMFRNNEZPYLD-UHFFFAOYSA-N 1 3 369.893 2.134 20 10 FECDHO C[NH+](C)CCOCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000788072154 682501394 /nfs/dbraw/zinc/50/13/94/682501394.db2.gz QGKDONUXKCJKDA-UHFFFAOYSA-N 1 3 350.463 2.253 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789597 550116465 /nfs/dbraw/zinc/11/64/65/550116465.db2.gz BLDSBADOHBEUDO-LVCYWYKZSA-N 1 3 360.546 2.136 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789597 550116466 /nfs/dbraw/zinc/11/64/66/550116466.db2.gz BLDSBADOHBEUDO-LVCYWYKZSA-N 1 3 360.546 2.136 20 10 FECDHO C[C@H](NCCOCC[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000774378182 681182002 /nfs/dbraw/zinc/18/20/02/681182002.db2.gz XPLSPLLTNAHVFZ-HNNXBMFYSA-N 1 3 355.910 2.405 20 10 FECDHO CN(C)c1cc(F)c(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000858135521 682937515 /nfs/dbraw/zinc/93/75/15/682937515.db2.gz WZZQPSJCDUSONA-HNNXBMFYSA-N 1 3 352.473 2.289 20 10 FECDHO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000853248369 682398569 /nfs/dbraw/zinc/39/85/69/682398569.db2.gz SGNBNZRMMRQGBI-UHFFFAOYSA-N 1 3 353.894 2.434 20 10 FECDHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000076893798 542328874 /nfs/dbraw/zinc/32/88/74/542328874.db2.gz XFGMBQUPSSYNDU-UHFFFAOYSA-N 1 3 353.466 2.203 20 10 FECDHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766124201 680867979 /nfs/dbraw/zinc/86/79/79/680867979.db2.gz VFQGEHUTCFPGEZ-OAHLLOKOSA-N 1 3 367.921 2.284 20 10 FECDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058504 680985088 /nfs/dbraw/zinc/98/50/88/680985088.db2.gz UTJZIDYWUIJIMZ-PBHICJAKSA-N 1 3 365.905 2.434 20 10 FECDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058504 680985090 /nfs/dbraw/zinc/98/50/90/680985090.db2.gz UTJZIDYWUIJIMZ-PBHICJAKSA-N 1 3 365.905 2.434 20 10 FECDHO O[C@H](CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C(F)(F)F ZINC000819200347 675269275 /nfs/dbraw/zinc/26/92/75/675269275.db2.gz OHRMNMKKMNQTPU-QGZVFWFLSA-N 1 3 357.420 2.231 20 10 FECDHO CN1CCN(c2ccc(CN3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227123 685099624 /nfs/dbraw/zinc/09/96/24/685099624.db2.gz BZNOXKZMQBUFHK-DOTOQJQBSA-N 1 3 356.436 2.007 20 10 FECDHO CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000092615867 542875837 /nfs/dbraw/zinc/87/58/37/542875837.db2.gz HGRIRIKTZMKDFI-UHFFFAOYSA-N 1 3 360.546 2.423 20 10 FECDHO Cc1cc(Cl)cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1[O-] ZINC000840955751 680856955 /nfs/dbraw/zinc/85/69/55/680856955.db2.gz WNQGPZRLPRMTRZ-UHFFFAOYSA-N 1 3 367.921 2.240 20 10 FECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377621720 558379097 /nfs/dbraw/zinc/37/90/97/558379097.db2.gz GHMHLZSHYJSSFA-QFIPXVFZSA-N 1 3 372.557 2.124 20 10 FECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377621720 558379098 /nfs/dbraw/zinc/37/90/98/558379098.db2.gz GHMHLZSHYJSSFA-QFIPXVFZSA-N 1 3 372.557 2.124 20 10 FECDHO CCN(CC)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070797 680861857 /nfs/dbraw/zinc/86/18/57/680861857.db2.gz TXMWBWMJANKSGX-QGZVFWFLSA-N 1 3 358.452 2.459 20 10 FECDHO CN(C)c1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000076893986 542328400 /nfs/dbraw/zinc/32/84/00/542328400.db2.gz RBKPWSULUXNTLH-UHFFFAOYSA-N 1 3 372.488 2.473 20 10 FECDHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625151 556923819 /nfs/dbraw/zinc/92/38/19/556923819.db2.gz VKKDIJRKTXLVMN-ICSRJNTNSA-N 1 3 372.557 2.342 20 10 FECDHO COc1ccc(N2CCC([NH2+]C3CCN(CCN(C)C)CC3)CC2)cc1 ZINC000150973865 544492012 /nfs/dbraw/zinc/49/20/12/544492012.db2.gz WCUNVMZRFATPTQ-UHFFFAOYSA-N 1 3 360.546 2.280 20 10 FECDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1[O-] ZINC000817936046 675187126 /nfs/dbraw/zinc/18/71/26/675187126.db2.gz MLULXXJQSNZCNT-ZDUSSCGKSA-N 1 3 356.308 2.409 20 10 FECDHO CCCN(c1ccc(C[NH3+])cc1)C1CCN(CCN2CCOCC2)CC1 ZINC000365497618 555591386 /nfs/dbraw/zinc/59/13/86/555591386.db2.gz XMNUEJSPOBINHZ-UHFFFAOYSA-N 1 3 360.546 2.158 20 10 FECDHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000370625153 556924026 /nfs/dbraw/zinc/92/40/26/556924026.db2.gz VKKDIJRKTXLVMN-UYAOXDASSA-N 1 3 372.557 2.342 20 10 FECDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058506 680984946 /nfs/dbraw/zinc/98/49/46/680984946.db2.gz UTJZIDYWUIJIMZ-WMLDXEAASA-N 1 3 365.905 2.434 20 10 FECDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058506 680984948 /nfs/dbraw/zinc/98/49/48/680984948.db2.gz UTJZIDYWUIJIMZ-WMLDXEAASA-N 1 3 365.905 2.434 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789599 550116425 /nfs/dbraw/zinc/11/64/25/550116425.db2.gz BLDSBADOHBEUDO-WAOWUJCRSA-N 1 3 360.546 2.136 20 10 FECDHO COc1ccc(N2CCN(CCN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789599 550116428 /nfs/dbraw/zinc/11/64/28/550116428.db2.gz BLDSBADOHBEUDO-WAOWUJCRSA-N 1 3 360.546 2.136 20 10 FECDHO COc1cc(O)c(C[N@H+](C)C2CCN(C3CCOCC3)CC2)cc1OC ZINC000371426964 557183353 /nfs/dbraw/zinc/18/33/53/557183353.db2.gz RTRXFMHZMYKINZ-UHFFFAOYSA-N 1 3 364.486 2.485 20 10 FECDHO COc1cc(O)c(C[N@@H+](C)C2CCN(C3CCOCC3)CC2)cc1OC ZINC000371426964 557183356 /nfs/dbraw/zinc/18/33/56/557183356.db2.gz RTRXFMHZMYKINZ-UHFFFAOYSA-N 1 3 364.486 2.485 20 10 FECDHO O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000289140074 552271858 /nfs/dbraw/zinc/27/18/58/552271858.db2.gz AEZJQCSBXQIICU-UHFFFAOYSA-N 1 3 363.477 2.345 20 10 FECDHO CN(C)c1cc(F)c(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000858135522 682937461 /nfs/dbraw/zinc/93/74/61/682937461.db2.gz WZZQPSJCDUSONA-OAHLLOKOSA-N 1 3 352.473 2.289 20 10 FECDHO COc1ccc(N2CCN(CCNC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298484513 553430944 /nfs/dbraw/zinc/43/09/44/553430944.db2.gz PPKRVNISBBEDBO-UHFFFAOYSA-N 1 3 358.530 2.034 20 10 FECDHO CN1CCN(c2ccc(CN3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000873227125 685099984 /nfs/dbraw/zinc/09/99/84/685099984.db2.gz BZNOXKZMQBUFHK-RDJZCZTQSA-N 1 3 356.436 2.007 20 10 FECDHO CCN1CCN(CCC[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000154270698 544884077 /nfs/dbraw/zinc/88/40/77/544884077.db2.gz DUTIFCYNZVIAFK-UHFFFAOYSA-N 1 3 360.546 2.281 20 10 FECDHO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052770 556205516 /nfs/dbraw/zinc/20/55/16/556205516.db2.gz YQKUTBXFIMGIJX-IBGZPJMESA-N 1 3 372.557 2.124 20 10 FECDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058505 680985033 /nfs/dbraw/zinc/98/50/33/680985033.db2.gz UTJZIDYWUIJIMZ-RHSMWYFYSA-N 1 3 365.905 2.434 20 10 FECDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1[O-] ZINC000843058505 680985034 /nfs/dbraw/zinc/98/50/34/680985034.db2.gz UTJZIDYWUIJIMZ-RHSMWYFYSA-N 1 3 365.905 2.434 20 10 FECDHO CN(C)c1ccc(/C=C\CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070044 680861832 /nfs/dbraw/zinc/86/18/32/680861832.db2.gz IZCDSTASDCZTSN-LIMHQNJXSA-N 1 3 356.436 2.192 20 10 FECDHO C[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])CN1CC[NH+](C)CC1 ZINC000825247741 675643490 /nfs/dbraw/zinc/64/34/90/675643490.db2.gz WLWLQPLDBODAEZ-CYBMUJFWSA-N 1 3 356.308 2.128 20 10 FECDHO Cc1cc(Cl)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1[O-] ZINC000841070193 680861839 /nfs/dbraw/zinc/86/18/39/680861839.db2.gz LWDIGLNPXCNXFV-CYBMUJFWSA-N 1 3 351.800 2.280 20 10 FECDHO C[NH+](C)C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1C[NH+](C)C ZINC000877669284 686433474 /nfs/dbraw/zinc/43/34/74/686433474.db2.gz BMDNQHYLLBLCLW-HUUCEWRRSA-N 1 3 370.335 2.326 20 10 FECDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC000368052600 556204968 /nfs/dbraw/zinc/20/49/68/556204968.db2.gz XDTNIBQLCILOIF-QGZVFWFLSA-N 1 3 363.502 2.010 20 10 FECDHO COc1cc(O)c(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC000368052600 556204970 /nfs/dbraw/zinc/20/49/70/556204970.db2.gz XDTNIBQLCILOIF-QGZVFWFLSA-N 1 3 363.502 2.010 20 10 FECDHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000925816602 683040495 /nfs/dbraw/zinc/04/04/95/683040495.db2.gz ZQNHOFFWZKLBHA-HNNXBMFYSA-N 1 3 366.937 2.250 20 10 FECDHO CCN(CC)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841070796 680861851 /nfs/dbraw/zinc/86/18/51/680861851.db2.gz TXMWBWMJANKSGX-KRWDZBQOSA-N 1 3 358.452 2.459 20 10 FECDHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000766124199 680867961 /nfs/dbraw/zinc/86/79/61/680867961.db2.gz VFQGEHUTCFPGEZ-HNNXBMFYSA-N 1 3 367.921 2.284 20 10 FECDHO COc1cc(Br)cc([C@H](C)[NH2+]CCOCC[NH+](C)C)c1[O-] ZINC000848546787 681575791 /nfs/dbraw/zinc/57/57/91/681575791.db2.gz FKMHJNNCWPNERN-NSHDSACASA-N 1 3 361.280 2.392 20 10 FECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377621718 558379019 /nfs/dbraw/zinc/37/90/19/558379019.db2.gz GHMHLZSHYJSSFA-JOCHJYFZSA-N 1 3 372.557 2.124 20 10 FECDHO CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377621718 558379022 /nfs/dbraw/zinc/37/90/22/558379022.db2.gz GHMHLZSHYJSSFA-JOCHJYFZSA-N 1 3 372.557 2.124 20 10 FECDHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000774378185 681182128 /nfs/dbraw/zinc/18/21/28/681182128.db2.gz XPLSPLLTNAHVFZ-OAHLLOKOSA-N 1 3 355.910 2.405 20 10 FECDHO