smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCc1nc(CNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)no1 ZINC000218076716 522033094 /nfs/dbraw/zinc/03/30/94/522033094.db2.gz SAEUZOZKKDNVPW-UHFFFAOYSA-N 1 0 358.442 1.538 50 70 FDIARO Cc1nc([C@@H]2CCCN(C(=O)CN3CCOc4ccccc4C3)C2)no1 ZINC000217151471 537452099 /nfs/dbraw/zinc/45/20/99/537452099.db2.gz POXHHPMKOJYMMO-MRXNPFEDSA-N 1 0 356.426 1.979 50 70 FDIARO O=C(Cn1ccc(=O)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000218704527 206373914 /nfs/dbraw/zinc/37/39/14/206373914.db2.gz QZHYOIDFRCAFGJ-UHFFFAOYSA-N 1 0 351.450 1.898 50 70 FDIARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 ZINC000217174772 206361931 /nfs/dbraw/zinc/36/19/31/206361931.db2.gz ZSGRTPZZRJSEML-CYBMUJFWSA-N 1 0 350.463 1.108 50 70 FDIARO O=C(C[NH+]1CCCCCCC1)NCCn1[nH]c(=O)c2ccccc2c1=O ZINC000218130130 206367065 /nfs/dbraw/zinc/36/70/65/206367065.db2.gz WIGTUPVYEISRGE-UHFFFAOYSA-N 1 0 358.442 1.072 50 70 FDIARO COc1ccc(OC)c(CC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000218564125 524811221 /nfs/dbraw/zinc/81/12/21/524811221.db2.gz DPCHXBBZYXUBMM-KRWDZBQOSA-N 1 0 364.486 1.798 50 70 FDIARO CC1CC[NH+](Cc2ccc(C(=O)NCCSc3nnnn3C)o2)CC1 ZINC000218768709 206375148 /nfs/dbraw/zinc/37/51/48/206375148.db2.gz GNUAOGVZBYMQCI-UHFFFAOYSA-N 1 0 364.475 1.557 50 70 FDIARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000161374688 525096376 /nfs/dbraw/zinc/09/63/76/525096376.db2.gz NTKIWOFTRNGAKI-NSHDSACASA-N 1 0 350.362 1.804 50 70 FDIARO COCC[N@@H+]1CC[C@H](CN(C)C(=O)c2cc(=O)[nH]c3ccc(F)cc32)C1 ZINC000217554304 523867973 /nfs/dbraw/zinc/86/79/73/523867973.db2.gz GTQQICAXYQRXGP-CYBMUJFWSA-N 1 0 361.417 1.708 50 70 FDIARO CN1C[C@@]2(CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)C2)OC1=O ZINC000217391347 206363453 /nfs/dbraw/zinc/36/34/53/206363453.db2.gz AOXYZISJXRTROC-HXUWFJFHSA-N 1 0 357.454 1.919 50 70 FDIARO O=C(COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1)N1CCCCC1 ZINC000217026086 526974619 /nfs/dbraw/zinc/97/46/19/526974619.db2.gz VYOPEWBLMUVZLL-SFHVURJKSA-N 1 0 371.481 1.998 50 70 FDIARO O=C(C[NH+]1CCCCCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000218157161 526740254 /nfs/dbraw/zinc/74/02/54/526740254.db2.gz AJZRMDHUIYYGGL-RTBURBONSA-N 1 0 362.470 1.707 50 70 FDIARO COc1ccc([C@H](O)C(=O)N2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000218004361 525375481 /nfs/dbraw/zinc/37/54/81/525375481.db2.gz QYYZDAINMQMYBN-SFHVURJKSA-N 1 0 362.470 1.426 50 70 FDIARO O=C(c1cccnc1)N1CCC([NH2+][C@@H]2COCC[C@@H]2OCC2CC2)CC1 ZINC000218382920 526817953 /nfs/dbraw/zinc/81/79/53/526817953.db2.gz UUHVNSHLJWIEBP-MOPGFXCFSA-N 1 0 359.470 1.860 50 70 FDIARO C[C@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2 ZINC000217550315 537455182 /nfs/dbraw/zinc/45/51/82/537455182.db2.gz VWHLHIAUGPHIHY-NSHDSACASA-N 1 0 364.833 1.470 50 70 FDIARO C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(Cl)ccc1OCC(N)=O)C2 ZINC000217550227 537455394 /nfs/dbraw/zinc/45/53/94/537455394.db2.gz VWHLHIAUGPHIHY-LLVKDONJSA-N 1 0 364.833 1.470 50 70 FDIARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)NCCC[NH+](C)C)C=C2 ZINC000217752032 537458114 /nfs/dbraw/zinc/45/81/14/537458114.db2.gz YFBSSKZIRQNFDL-UHFFFAOYSA-N 1 0 361.442 1.127 50 70 FDIARO Cc1nc(N2CCCCC2)ncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000218454563 132273058 /nfs/dbraw/zinc/27/30/58/132273058.db2.gz VLAAAWHBOIMYJI-XLNGHYISSA-N 1 0 359.474 1.223 50 70 FDIARO Cn1cnc(-c2ccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)cc2)n1 ZINC000160930962 524998710 /nfs/dbraw/zinc/99/87/10/524998710.db2.gz FZQSOBDWHSYURJ-UHFFFAOYSA-N 1 0 370.457 1.811 50 70 FDIARO C[C@H](O)c1cc2n(n1)CCN(C(=O)C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000217749577 525852836 /nfs/dbraw/zinc/85/28/36/525852836.db2.gz OVBXQQOKFNQGNM-AWEZNQCLSA-N 1 0 358.442 1.784 50 70 FDIARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000218312763 521634862 /nfs/dbraw/zinc/63/48/62/521634862.db2.gz BHPMEZSMWXXVLT-SJORKVTESA-N 1 0 372.469 1.488 50 70 FDIARO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[NH2+]CC1 ZINC000159424199 526927114 /nfs/dbraw/zinc/92/71/14/526927114.db2.gz IEUOHRHUKGKWNN-UHFFFAOYSA-N 1 0 353.195 1.819 50 70 FDIARO CCn1c(CN2CCN(c3ccccc3)C(=O)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000218054341 535982014 /nfs/dbraw/zinc/98/20/14/535982014.db2.gz AMMNYDYCODKDMU-GASCZTMLSA-N 1 0 354.458 1.352 50 70 FDIARO CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3S(=O)(=O)N2)CC1 ZINC000218075842 537458752 /nfs/dbraw/zinc/45/87/52/537458752.db2.gz PQFOZHJYGNTOER-MRXNPFEDSA-N 1 0 365.499 1.080 50 70 FDIARO CN(C)c1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000217199885 522159700 /nfs/dbraw/zinc/15/97/00/522159700.db2.gz LHSWBUKUGFYKDS-IBGZPJMESA-N 1 0 358.530 1.781 50 70 FDIARO CN(CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1)Cc1ccncc1 ZINC000217337693 522434266 /nfs/dbraw/zinc/43/42/66/522434266.db2.gz VCRIXNDEUOWDSA-LJQANCHMSA-N 1 0 360.502 1.617 50 70 FDIARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCn2nc(CO)cc2C1 ZINC000217470520 526304119 /nfs/dbraw/zinc/30/41/19/526304119.db2.gz HDCSFAXVJHBZIG-UHFFFAOYSA-N 1 0 358.442 1.613 50 70 FDIARO COc1cccc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)c1 ZINC000218461220 537125124 /nfs/dbraw/zinc/12/51/24/537125124.db2.gz CTFQXTXUTYUFPJ-UHFFFAOYSA-N 1 0 354.458 1.599 50 70 FDIARO Cc1cc(C)n2c(nnc2C(=O)N2CCCN(Cc3cccnc3)CC2)n1 ZINC000217648744 537454827 /nfs/dbraw/zinc/45/48/27/537454827.db2.gz NORYPYQUKIBASY-UHFFFAOYSA-N 1 0 365.441 1.484 50 70 FDIARO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000217994978 537457490 /nfs/dbraw/zinc/45/74/90/537457490.db2.gz TZDZANOXPZDKLH-UHFFFAOYSA-N 1 0 362.474 1.491 50 70 FDIARO CCC[NH+]1CCC(N2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)CC1 ZINC000218253071 537461159 /nfs/dbraw/zinc/46/11/59/537461159.db2.gz UIWBAJOIVWFJBE-HXUWFJFHSA-N 1 0 372.517 1.778 50 70 FDIARO Cc1nc(CC(=O)N2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cs1 ZINC000218586248 526787639 /nfs/dbraw/zinc/78/76/39/526787639.db2.gz GLKYRRNUIDVDQH-MRXNPFEDSA-N 1 0 363.487 1.218 50 70 FDIARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O ZINC000218490609 521656000 /nfs/dbraw/zinc/65/60/00/521656000.db2.gz YQJIVXPONLYOSF-IRXDYDNUSA-N 1 0 361.486 1.858 50 70 FDIARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cccnc1)C2 ZINC000218350228 521860985 /nfs/dbraw/zinc/86/09/85/521860985.db2.gz ZTEOJFWUZJPEFI-SFHVURJKSA-N 1 0 357.458 1.238 50 70 FDIARO CO[C@@H]1CCOC[C@H]1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000218145034 523693607 /nfs/dbraw/zinc/69/36/07/523693607.db2.gz WOQDGPAKOHEDNF-RTBURBONSA-N 1 0 361.486 1.427 50 70 FDIARO CN1CCC([N@@H+]2CCC[C@H]2C(=O)N2CCC(Cn3ccnc3)CC2)CC1 ZINC000218217829 523769354 /nfs/dbraw/zinc/76/93/54/523769354.db2.gz HRMDKIAKVLDZKT-IBGZPJMESA-N 1 0 359.518 1.680 50 70 FDIARO Cn1c(COc2cccc3ccc(C(N)=O)nc32)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000218540182 537463260 /nfs/dbraw/zinc/46/32/60/537463260.db2.gz GIQWMRDPSJERQX-TXEJJXNPSA-N 1 0 352.398 1.246 50 70 FDIARO C[C@@H](O)c1cc2n(n1)CCN(CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000217929491 132272661 /nfs/dbraw/zinc/27/26/61/132272661.db2.gz DXCUKSZGQODVEW-QGZVFWFLSA-N 1 0 355.486 1.574 50 70 FDIARO OCCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000218723223 132273249 /nfs/dbraw/zinc/27/32/49/132273249.db2.gz PWEOZJPAMGHBIT-NHCUHLMSSA-N 1 0 360.498 1.900 50 70 FDIARO CCCn1ncc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)c1C ZINC000218589784 521672428 /nfs/dbraw/zinc/67/24/28/521672428.db2.gz BEODSAFSDHDRBS-LJQANCHMSA-N 1 0 360.506 1.799 50 70 FDIARO Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CC[NH+]2Cc3ccccc3C2)C1 ZINC000217471386 527064232 /nfs/dbraw/zinc/06/42/32/527064232.db2.gz OGEHHFLGGAJZHW-QGZVFWFLSA-N 1 0 369.469 1.419 50 70 FDIARO OC[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2 ZINC000217150534 537453056 /nfs/dbraw/zinc/45/30/56/537453056.db2.gz IPVRBYJTIMQGMG-IBGZPJMESA-N 1 0 353.426 1.169 50 70 FDIARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000160226737 210062684 /nfs/dbraw/zinc/06/26/84/210062684.db2.gz FHQKNAQJHNQSHV-YPMHNXCESA-N 1 0 352.232 1.362 50 70 FDIARO COc1cccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3OCCO)CC2)c1 ZINC000218086872 526142729 /nfs/dbraw/zinc/14/27/29/526142729.db2.gz QLYUHXSYEGUCFP-RTBURBONSA-N 1 0 350.459 1.420 50 70 FDIARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000218305170 521636526 /nfs/dbraw/zinc/63/65/26/521636526.db2.gz WOGNCANLXZISHA-SJORKVTESA-N 1 0 372.469 1.140 50 70 FDIARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cccnc1)C2 ZINC000218350145 521828621 /nfs/dbraw/zinc/82/86/21/521828621.db2.gz ZTEOJFWUZJPEFI-GOSISDBHSA-N 1 0 357.458 1.238 50 70 FDIARO CN(C)c1nc(NCc2nnc(-c3ccncc3)[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000218258275 522332284 /nfs/dbraw/zinc/33/22/84/522332284.db2.gz FUCWJGVOOCGRAF-UHFFFAOYSA-N 1 0 365.445 1.540 50 70 FDIARO O=C(CSc1ncccn1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000217891594 527070658 /nfs/dbraw/zinc/07/06/58/527070658.db2.gz GEXCUBCTSGUDRG-HNNXBMFYSA-N 1 0 350.488 1.672 50 70 FDIARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)CCc1ccc(F)c(F)c1)CC2 ZINC000216997999 537451710 /nfs/dbraw/zinc/45/17/10/537451710.db2.gz UVVWOBPMNWDXDK-UHFFFAOYSA-N 1 0 365.424 1.710 50 70 FDIARO O=c1[nH]ccn1CCN1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217532224 537454634 /nfs/dbraw/zinc/45/46/34/537454634.db2.gz SARACCGHBSGOHD-SFHVURJKSA-N 1 0 353.426 1.361 50 70 FDIARO CN1CC[N@H+](C)[C@@H](CC(=O)NCCc2ccccc2OC(F)(F)F)C1 ZINC000217939287 523886574 /nfs/dbraw/zinc/88/65/74/523886574.db2.gz CFBPMBKDKGLDAT-AWEZNQCLSA-N 1 0 359.392 1.880 50 70 FDIARO C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1cn3ccccc3n1)C2 ZINC000217164907 537452908 /nfs/dbraw/zinc/45/29/08/537452908.db2.gz DWWSYGGJEVCMIH-CQSZACIVSA-N 1 0 353.426 1.949 50 70 FDIARO CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+](C)C3)cc1 ZINC000218011023 537457080 /nfs/dbraw/zinc/45/70/80/537457080.db2.gz UWXNHOUDVGKCQG-HOCLYGCPSA-N 1 0 365.499 1.541 50 70 FDIARO Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000217996283 537457988 /nfs/dbraw/zinc/45/79/88/537457988.db2.gz ABEFXVJLINDAIQ-MSOLQXFVSA-N 1 0 359.426 1.854 50 70 FDIARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000218675307 537464797 /nfs/dbraw/zinc/46/47/97/537464797.db2.gz JJIWFGJSEOPPOE-VUKOWNLVSA-N 1 0 353.422 1.510 50 70 FDIARO O=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000217612363 210172400 /nfs/dbraw/zinc/17/24/00/210172400.db2.gz SOXYTSYVOZAGBS-DZGCQCFKSA-N 1 0 360.483 1.839 50 70 FDIARO C[C@@H](O)c1cc2n(n1)CCN(C(=O)C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000217749489 525864440 /nfs/dbraw/zinc/86/44/40/525864440.db2.gz OVBXQQOKFNQGNM-CQSZACIVSA-N 1 0 358.442 1.784 50 70 FDIARO O=C(c1ccncc1)N1CCC([N@@H+]2CCCn3nc(CO)cc3C2)CC1 ZINC000217031252 537452074 /nfs/dbraw/zinc/45/20/74/537452074.db2.gz LSYPSUPCTPWWQX-UHFFFAOYSA-N 1 0 355.442 1.281 50 70 FDIARO Cc1ccc2oc(=O)n(CCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)c2c1 ZINC000218499975 537463609 /nfs/dbraw/zinc/46/36/09/537463609.db2.gz VFOOLPWWGMAEQQ-QRVDHSFSSA-N 1 0 359.426 1.127 50 70 FDIARO CC(=O)c1cc(CN2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)n(C)c1 ZINC000218735862 568248922 /nfs/dbraw/zinc/24/89/22/568248922.db2.gz URDKWRMHKODORQ-LJQANCHMSA-N 1 0 359.474 1.425 50 70 FDIARO CC(C)Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH]c(=O)n1 ZINC000216986533 519429988 /nfs/dbraw/zinc/42/99/88/519429988.db2.gz NRKWNXZQOUAACG-OAHLLOKOSA-N 1 0 362.474 1.153 50 70 FDIARO CSCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159748128 524730348 /nfs/dbraw/zinc/73/03/48/524730348.db2.gz VGOLFEWSOXRZOY-TZMCWYRMSA-N 1 0 355.891 1.984 50 70 FDIARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000217607552 526515045 /nfs/dbraw/zinc/51/50/45/526515045.db2.gz ULHDWCGRINKQLP-DLBZAZTESA-N 1 0 373.501 1.367 50 70 FDIARO CN1C[C@]2(CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)C2)OC1=O ZINC000217391427 568181379 /nfs/dbraw/zinc/18/13/79/568181379.db2.gz AOXYZISJXRTROC-FQEVSTJZSA-N 1 0 357.454 1.919 50 70 FDIARO CCC[NH+]1CCC(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)CC1 ZINC000218253139 519844486 /nfs/dbraw/zinc/84/44/86/519844486.db2.gz UIWBAJOIVWFJBE-FQEVSTJZSA-N 1 0 372.517 1.778 50 70 FDIARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(Cn3cccn3)CC2)n1 ZINC000218092870 523213879 /nfs/dbraw/zinc/21/38/79/523213879.db2.gz WFDXRFYZHZWRJN-IYBDPMFKSA-N 1 0 356.474 1.941 50 70 FDIARO O=C(COc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1)N1CCCCC1 ZINC000217026045 526974972 /nfs/dbraw/zinc/97/49/72/526974972.db2.gz VYOPEWBLMUVZLL-GOSISDBHSA-N 1 0 371.481 1.998 50 70 FDIARO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCN(c3ccccc3)CC1)C2 ZINC000217903955 527585222 /nfs/dbraw/zinc/58/52/22/527585222.db2.gz MACZUPBVLLDINY-HXUWFJFHSA-N 1 0 356.470 1.784 50 70 FDIARO OC[C@H](O)c1cc2n(n1)CCCN(C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000217201687 527612395 /nfs/dbraw/zinc/61/23/95/527612395.db2.gz RNJKUFDIHCFFMJ-IBGZPJMESA-N 1 0 360.458 1.372 50 70 FDIARO CN(C)c1ccc(CC(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)cc1 ZINC000216982311 537452491 /nfs/dbraw/zinc/45/24/91/537452491.db2.gz BLOVMENUEIJQGH-UHFFFAOYSA-N 1 0 358.530 1.924 50 70 FDIARO COCC[N@@H+]1CC[C@@H](CN(C)C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 ZINC000217174760 537453884 /nfs/dbraw/zinc/45/38/84/537453884.db2.gz ZSGRTPZZRJSEML-ZDUSSCGKSA-N 1 0 350.463 1.108 50 70 FDIARO Cc1cc2c(cc1C(=O)N1CCC3(CC1)C(=O)NCCC[N@H+]3C)OCCO2 ZINC000218624506 537465449 /nfs/dbraw/zinc/46/54/49/537465449.db2.gz YTOPWIDJDLOOPO-UHFFFAOYSA-N 1 0 373.453 1.193 50 70 FDIARO Cc1cc(C)cc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2=O)c1 ZINC000218139859 132272858 /nfs/dbraw/zinc/27/28/58/132272858.db2.gz MTNIXKYDPFWLCX-UHFFFAOYSA-N 1 0 366.469 1.734 50 70 FDIARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cn2cnnn2)cc1 ZINC000217788887 526515950 /nfs/dbraw/zinc/51/59/50/526515950.db2.gz FIOPSNGSGPHISC-ZWKOTPCHSA-N 1 0 354.458 1.716 50 70 FDIARO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000160226614 222555047 /nfs/dbraw/zinc/55/50/47/222555047.db2.gz FHQKNAQJHNQSHV-DGCLKSJQSA-N 1 0 352.232 1.362 50 70 FDIARO C[NH+](C)CCNc1c(=O)c(=O)c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000218219616 521791848 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