smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCCN1C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177674132 1081515981 /nfs/dbraw/zinc/51/59/81/1081515981.db2.gz KYNHZLFABDWQCL-UHFFFAOYSA-N 1 0 350.462 4.066 50 0 FIAARO CCOC1CC2(C1)CC[N@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000289753025 1082135240 /nfs/dbraw/zinc/13/52/40/1082135240.db2.gz QTGZDZJJOXSTLQ-UHFFFAOYSA-N 1 0 352.478 4.052 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3c(C)cnc3-c3cccnc3)C2)o1 ZINC000581807756 1084612628 /nfs/dbraw/zinc/61/26/28/1084612628.db2.gz RKMRSHOVQBJYKV-SFHVURJKSA-N 1 0 350.466 4.067 50 0 FIAARO CSCCNC(=O)c1ccc([C@H]2CCCN2Cc2ccsc2)s1 ZINC000023580845 1084783557 /nfs/dbraw/zinc/78/35/57/1084783557.db2.gz YAJXMJOVVRSMSX-CQSZACIVSA-N 1 0 366.577 4.240 50 0 FIAARO CC(C)=CCC/C(C)=C/C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019634817 1089553862 /nfs/dbraw/zinc/55/38/62/1089553862.db2.gz PNLNRIWUGZICBX-DJKKODMXSA-N 1 0 356.510 4.226 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004031229 1090362363 /nfs/dbraw/zinc/36/23/63/1090362363.db2.gz IQRCLEWQOBTXNV-AAZVSSJSSA-N 1 0 363.586 4.119 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000299872773 1091720423 /nfs/dbraw/zinc/72/04/23/1091720423.db2.gz HMILSMGINCXLBS-KZCZSMSGSA-N 1 0 363.586 4.119 50 0 FIAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2-c2ccccc2)CC1 ZINC000006704053 1091934961 /nfs/dbraw/zinc/93/49/61/1091934961.db2.gz QQASGMPZGWUPRH-UHFFFAOYSA-N 1 0 367.489 4.398 50 0 FIAARO COc1ccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1O ZINC000119905486 1094285471 /nfs/dbraw/zinc/28/54/71/1094285471.db2.gz YUTSZMWGVGCFSF-UHFFFAOYSA-N 1 0 352.409 4.311 50 0 FIAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000025946755 1105200336 /nfs/dbraw/zinc/20/03/36/1105200336.db2.gz PKWQUAXQJGBREJ-UHFFFAOYSA-N 1 0 370.880 4.264 50 0 FIAARO O=C(c1ccsc1)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000012474309 1124211360 /nfs/dbraw/zinc/21/13/60/1124211360.db2.gz BPHVJYVTGPDRBJ-HXUWFJFHSA-N 1 0 368.546 4.165 50 0 FIAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(F)cc1Cl ZINC000011874832 1125403787 /nfs/dbraw/zinc/40/37/87/1125403787.db2.gz PCYSRIHFIJDDTL-HNNXBMFYSA-N 1 0 352.881 4.396 50 0 FIAARO CC[NH2+]CC[C@H]1CCC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000299770681 203760904 /nfs/dbraw/zinc/76/09/04/203760904.db2.gz VAAYFTLADCDPOR-OAQYLSRUSA-N 1 0 350.506 4.199 50 0 FIAARO Cc1ccc2cc(-c3cccc(C(=O)N(C)CCC[NH+](C)C)c3)ccc2n1 ZINC000299755240 203751434 /nfs/dbraw/zinc/75/14/34/203751434.db2.gz BYMJDVVSOQPZTF-UHFFFAOYSA-N 1 0 361.489 4.234 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000002514571 204042032 /nfs/dbraw/zinc/04/20/32/204042032.db2.gz RXQPDCXZQPJJDI-UHFFFAOYSA-N 1 0 362.242 4.415 50 0 FIAARO O=C(CCC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000001579717 204014004 /nfs/dbraw/zinc/01/40/04/204014004.db2.gz ICAYNKLSQSKOJZ-QFIPXVFZSA-N 1 0 373.443 4.373 50 0 FIAARO CCOC(=O)c1ccccc1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514499 204042720 /nfs/dbraw/zinc/04/27/20/204042720.db2.gz GEAYCUMGIOIRRH-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO Fc1ccc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000002331289 204033610 /nfs/dbraw/zinc/03/36/10/204033610.db2.gz XNUJDUVKTRFEOQ-SFHVURJKSA-N 1 0 353.393 4.459 50 0 FIAARO O[C@@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000002333339 204034421 /nfs/dbraw/zinc/03/44/21/204034421.db2.gz PKEBDCQVVWGBKG-OALUTQOASA-N 1 0 360.295 4.362 50 0 FIAARO Cc1cc(C)c(OCCOCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000002954674 204070631 /nfs/dbraw/zinc/07/06/31/204070631.db2.gz DQIWFQSBRMSSBW-UHFFFAOYSA-N 1 0 370.331 4.193 50 0 FIAARO S=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003286780 204088288 /nfs/dbraw/zinc/08/82/88/204088288.db2.gz WSCOEDVASNROQD-UHFFFAOYSA-N 1 0 359.926 4.291 50 0 FIAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000002628179 204048266 /nfs/dbraw/zinc/04/82/66/204048266.db2.gz YXLGTTWULGOLSM-MRXNPFEDSA-N 1 0 374.440 4.199 50 0 FIAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(NC[C@H]2CCCO2)c(F)c1F ZINC000002862657 204063828 /nfs/dbraw/zinc/06/38/28/204063828.db2.gz ZFHMXJQVTWJMTK-FZKGZDJFSA-N 1 0 360.395 4.189 50 0 FIAARO COc1ccc(-c2c[nH+]c(NCc3ccc(Br)cc3)n2C)cc1 ZINC000004678508 204153582 /nfs/dbraw/zinc/15/35/82/204153582.db2.gz NMWSJHZEHVZOLA-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)cc1 ZINC000004842248 204169180 /nfs/dbraw/zinc/16/91/80/204169180.db2.gz ARWHRXCHGDQCOY-UHFFFAOYSA-N 1 0 350.256 4.146 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(cc(C)cc2C)s1 ZINC000004359498 204135360 /nfs/dbraw/zinc/13/53/60/204135360.db2.gz LOXBABORQJZELA-UHFFFAOYSA-N 1 0 371.506 4.495 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C(C)=C/c2ccccc2)N3)C1 ZINC000004556162 204146706 /nfs/dbraw/zinc/14/67/06/204146706.db2.gz LMCBATZLGJTGNM-IYPOZPNPSA-N 1 0 353.491 4.286 50 0 FIAARO CC[NH+](CC)CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005324524 204203637 /nfs/dbraw/zinc/20/36/37/204203637.db2.gz DQPJZVRLFIUIIV-UHFFFAOYSA-N 1 0 371.550 4.429 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000004898829 204173499 /nfs/dbraw/zinc/17/34/99/204173499.db2.gz MZXLADZDUIOTCA-NRFANRHFSA-N 1 0 361.489 4.432 50 0 FIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(Cl)nc1 ZINC000005266821 204199671 /nfs/dbraw/zinc/19/96/71/204199671.db2.gz GFBDSTUDOJAFSZ-UHFFFAOYSA-N 1 0 369.852 4.007 50 0 FIAARO CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000006159251 204240009 /nfs/dbraw/zinc/24/00/09/204240009.db2.gz WJKZSVABHUQIMV-UHFFFAOYSA-N 1 0 374.488 4.256 50 0 FIAARO O=C(c1ccc(Cl)s1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006741776 204265008 /nfs/dbraw/zinc/26/50/08/204265008.db2.gz UWZUINBUPNHDNI-UHFFFAOYSA-N 1 0 364.942 4.128 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2cc(Cl)ccc2OC)cc1 ZINC000007829180 204308623 /nfs/dbraw/zinc/30/86/23/204308623.db2.gz SOBAQLFPWBYHSM-UHFFFAOYSA-N 1 0 374.912 4.049 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cl)cc1F ZINC000007941462 204311845 /nfs/dbraw/zinc/31/18/45/204311845.db2.gz RMNPBJYABBKDDR-UHFFFAOYSA-N 1 0 360.860 4.395 50 0 FIAARO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1CCCC1 ZINC000008184815 204320344 /nfs/dbraw/zinc/32/03/44/204320344.db2.gz FBKBJSVYJHBFFJ-HNNXBMFYSA-N 1 0 365.502 4.310 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000008614014 204335890 /nfs/dbraw/zinc/33/58/90/204335890.db2.gz QYCDHOMGRPUYGX-HXUWFJFHSA-N 1 0 351.494 4.255 50 0 FIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000009918498 204386537 /nfs/dbraw/zinc/38/65/37/204386537.db2.gz JIVGILOACZNRQZ-UHFFFAOYSA-N 1 0 356.441 4.224 50 0 FIAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000009942277 204387840 /nfs/dbraw/zinc/38/78/40/204387840.db2.gz KZCIWVGJHOVZJY-UHFFFAOYSA-N 1 0 368.506 4.263 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1occc1C ZINC000012760652 204492221 /nfs/dbraw/zinc/49/22/21/204492221.db2.gz SSFQIAACFFUUDL-UHFFFAOYSA-N 1 0 368.521 4.313 50 0 FIAARO CCC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320474 204526621 /nfs/dbraw/zinc/52/66/21/204526621.db2.gz UBHFLHAUJVDROW-UHFFFAOYSA-N 1 0 363.811 4.355 50 0 FIAARO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)OC21CC(C)(C)[NH2+]C(C)(C)C1 ZINC000015106211 204604899 /nfs/dbraw/zinc/60/48/99/204604899.db2.gz LGIABOLBJXWIES-OAQYLSRUSA-N 1 0 367.493 4.071 50 0 FIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3Br)CC2)C1 ZINC000019362933 204680657 /nfs/dbraw/zinc/68/06/57/204680657.db2.gz YKBXEVRDBOQIHE-WBVHZDCISA-N 1 0 351.332 4.145 50 0 FIAARO Cc1ccc(C[NH+]2CCC(CNc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000021629782 204756019 /nfs/dbraw/zinc/75/60/19/204756019.db2.gz FVUYHLDUMWZQKY-UHFFFAOYSA-N 1 0 362.477 4.369 50 0 FIAARO O=C(CC1CCCC1)N1C[C@@H](c2ccc(F)cc2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034697752 204978584 /nfs/dbraw/zinc/97/85/84/204978584.db2.gz KKCKDGTXPMEQFK-IRLDBZIGSA-N 1 0 372.528 4.434 50 0 FIAARO CC(C)=CC[N@H+]1CCN(Cc2cn(C(C)C)c3ccccc23)C[C@H]1CCO ZINC000036379389 205013681 /nfs/dbraw/zinc/01/36/81/205013681.db2.gz XZNLTPCHZDIQHW-OAQYLSRUSA-N 1 0 369.553 4.057 50 0 FIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@@H](O)COCC(C)C)cc1 ZINC000036095325 205003837 /nfs/dbraw/zinc/00/38/37/205003837.db2.gz QXUPDCCRHSWEHL-JOCHJYFZSA-N 1 0 371.521 4.039 50 0 FIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036096330 205003852 /nfs/dbraw/zinc/00/38/52/205003852.db2.gz WCTYRIWXTVPWDK-NRFANRHFSA-N 1 0 359.485 4.252 50 0 FIAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103311 205004845 /nfs/dbraw/zinc/00/48/45/205004845.db2.gz OQMWDBSEOXNEFI-LJQANCHMSA-N 1 0 353.487 4.190 50 0 FIAARO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099534 205004968 /nfs/dbraw/zinc/00/49/68/205004968.db2.gz SHLUEGPHJJDBLB-SFHVURJKSA-N 1 0 351.487 4.065 50 0 FIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000037580765 205029386 /nfs/dbraw/zinc/02/93/86/205029386.db2.gz STKSXPKPVFMEKF-UHFFFAOYSA-N 1 0 366.505 4.275 50 0 FIAARO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000039753535 205047952 /nfs/dbraw/zinc/04/79/52/205047952.db2.gz SBCSVSJDHKESCN-UHFFFAOYSA-N 1 0 366.505 4.002 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1Cl)c1ccsc1 ZINC000040097538 205054584 /nfs/dbraw/zinc/05/45/84/205054584.db2.gz WTWCTYJXNUTQSH-CYBMUJFWSA-N 1 0 358.294 4.479 50 0 FIAARO CC(C)c1ccc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)[nH]c2c1 ZINC000040091462 205054711 /nfs/dbraw/zinc/05/47/11/205054711.db2.gz PCWVNEJSLXZFRK-HXUWFJFHSA-N 1 0 365.477 4.451 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1Cl)c1ccsc1 ZINC000040097536 205054940 /nfs/dbraw/zinc/05/49/40/205054940.db2.gz WTWCTYJXNUTQSH-ZDUSSCGKSA-N 1 0 358.294 4.479 50 0 FIAARO O=C(C1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCc2ccccc2C1 ZINC000045771252 205124548 /nfs/dbraw/zinc/12/45/48/205124548.db2.gz WXNZVKZNEGYQRD-UHFFFAOYSA-N 1 0 374.937 4.198 50 0 FIAARO Cc1noc(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000047427441 205147157 /nfs/dbraw/zinc/14/71/57/205147157.db2.gz CXRWEAVZAIXMDA-UHFFFAOYSA-N 1 0 355.482 4.095 50 0 FIAARO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048277648 205154753 /nfs/dbraw/zinc/15/47/53/205154753.db2.gz YNAIQORLTPEIES-LLVKDONJSA-N 1 0 373.305 4.216 50 0 FIAARO Cc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)c(C)c1 ZINC000055182973 205210370 /nfs/dbraw/zinc/21/03/70/205210370.db2.gz JSHJMJVPFYKQND-XMMPIXPASA-N 1 0 374.484 4.175 50 0 FIAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cc(C)c(OC(C)=O)c(C)c1 ZINC000055383380 205215915 /nfs/dbraw/zinc/21/59/15/205215915.db2.gz NLLPQLCCSKSZPE-IBGZPJMESA-N 1 0 361.507 4.063 50 0 FIAARO CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000055360056 205215990 /nfs/dbraw/zinc/21/59/90/205215990.db2.gz JOYVVIQVBVVFDF-GOSISDBHSA-N 1 0 369.440 4.474 50 0 FIAARO C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764427 205233037 /nfs/dbraw/zinc/23/30/37/205233037.db2.gz NTLVWWYCZCZJBD-GOSISDBHSA-N 1 0 366.509 4.125 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000057383192 205237972 /nfs/dbraw/zinc/23/79/72/205237972.db2.gz QDYNJZFHXDMMCU-MRXNPFEDSA-N 1 0 366.509 4.166 50 0 FIAARO O=C(NC1CCCCC1)C1([NH2+]Cc2c[nH]c3ccccc23)CCCCC1 ZINC000057551831 205242626 /nfs/dbraw/zinc/24/26/26/205242626.db2.gz IPPMQXXVNRGZQI-UHFFFAOYSA-N 1 0 353.510 4.409 50 0 FIAARO CCOC(=O)C[C@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(C)cc1 ZINC000055399203 205218429 /nfs/dbraw/zinc/21/84/29/205218429.db2.gz LGCHBNXZUXDFSH-IBGZPJMESA-N 1 0 371.477 4.186 50 0 FIAARO [NH2+]=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCCC1 ZINC000058159550 205250217 /nfs/dbraw/zinc/25/02/17/205250217.db2.gz XFSFZNOADBTHDY-UHFFFAOYSA-N 1 0 359.477 4.096 50 0 FIAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cccnc3)c(C(F)(F)F)c2)n1 ZINC000058159803 205252209 /nfs/dbraw/zinc/25/22/09/205252209.db2.gz MFLMPWPASUIDMP-UHFFFAOYSA-N 1 0 360.383 4.193 50 0 FIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000058161293 205253117 /nfs/dbraw/zinc/25/31/17/205253117.db2.gz CYULULYBLSAKGM-ZDUSSCGKSA-N 1 0 366.383 4.437 50 0 FIAARO O=C(CCc1ccccc1)NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000057985534 205247463 /nfs/dbraw/zinc/24/74/63/205247463.db2.gz QYIXRLUGGVTATB-HSZRJFAPSA-N 1 0 362.517 4.277 50 0 FIAARO COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)cc1O ZINC000062580376 205291545 /nfs/dbraw/zinc/29/15/45/205291545.db2.gz CWFAQKYDNAGZGW-KRWDZBQOSA-N 1 0 360.523 4.025 50 0 FIAARO Fc1cc(C[NH2+]Cc2cccc3c2OCO3)ccc1Oc1cccnc1 ZINC000063549203 205294099 /nfs/dbraw/zinc/29/40/99/205294099.db2.gz RACNWJPJWGMXKF-UHFFFAOYSA-N 1 0 352.365 4.032 50 0 FIAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc2cccc(F)c2c1OC ZINC000064756380 205304916 /nfs/dbraw/zinc/30/49/16/205304916.db2.gz QAQSQKNEXZEAGK-ZDUSSCGKSA-N 1 0 364.486 4.043 50 0 FIAARO Cc1ccn2c(=O)cc(C[NH+](Cc3ccccc3)Cc3ccccc3)nc2c1 ZINC000064590824 205301488 /nfs/dbraw/zinc/30/14/88/205301488.db2.gz PBSNYIHPDFFJIR-UHFFFAOYSA-N 1 0 369.468 4.205 50 0 FIAARO CCCNC(=O)C1CC[NH+](Cc2cn(CC)c3ccc(Cl)cc23)CC1 ZINC000064669716 205303249 /nfs/dbraw/zinc/30/32/49/205303249.db2.gz UDCIKDKKLOTECR-UHFFFAOYSA-N 1 0 361.917 4.053 50 0 FIAARO CSc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)cc1 ZINC000064818038 205306068 /nfs/dbraw/zinc/30/60/68/205306068.db2.gz AERHXVOKXARVJC-UHFFFAOYSA-N 1 0 366.530 4.165 50 0 FIAARO Cc1cc2[nH]c(C(=O)NCc3ccccc3F)c(C[NH+]3CCCC3)c2s1 ZINC000065138888 205319903 /nfs/dbraw/zinc/31/99/03/205319903.db2.gz QZFBIRSWXUXCLQ-UHFFFAOYSA-N 1 0 371.481 4.203 50 0 FIAARO CCNc1ncc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccccc4C)c3)C2)cn1 ZINC000065434074 205350856 /nfs/dbraw/zinc/35/08/56/205350856.db2.gz RGNVMGCWQBTHIX-HXUWFJFHSA-N 1 0 373.504 4.268 50 0 FIAARO Cc1ccc(-c2nc(NCC[C@H]3CCC[N@H+]3C)ncc2-c2ccncc2)cc1 ZINC000065462675 205352185 /nfs/dbraw/zinc/35/21/85/205352185.db2.gz REVAYSKEOUYNDJ-HXUWFJFHSA-N 1 0 373.504 4.410 50 0 FIAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000065469749 205354049 /nfs/dbraw/zinc/35/40/49/205354049.db2.gz LFOPKRWRDPGTDO-SFHVURJKSA-N 1 0 369.509 4.046 50 0 FIAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000065506980 205357108 /nfs/dbraw/zinc/35/71/08/205357108.db2.gz ZIFHQIURSHOIMX-OAQYLSRUSA-N 1 0 363.461 4.048 50 0 FIAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCC[C@H](Cc4cccnc4)C3)c2c1 ZINC000065506132 205357765 /nfs/dbraw/zinc/35/77/65/205357765.db2.gz WGSZTSHWVCEDLG-LJQANCHMSA-N 1 0 362.473 4.205 50 0 FIAARO Cc1nc(-c2c(-c3ccccc3)ncn2CCNc2cc(C)cc[nH+]2)c[nH]1 ZINC000065395936 205345001 /nfs/dbraw/zinc/34/50/01/205345001.db2.gz JHOZDGGVMYCVFO-UHFFFAOYSA-N 1 0 358.449 4.064 50 0 FIAARO C[C@@H](Nc1nc(CC[NH3+])nc2ccccc21)c1ccccc1C(F)(F)F ZINC000065408498 205348776 /nfs/dbraw/zinc/34/87/76/205348776.db2.gz IORPGWGZBOGDLN-GFCCVEGCSA-N 1 0 360.383 4.323 50 0 FIAARO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 ZINC000067603693 205376594 /nfs/dbraw/zinc/37/65/94/205376594.db2.gz IRDMOEFORNFNEV-UHFFFAOYSA-N 1 0 370.518 4.032 50 0 FIAARO CC(C)c1nccc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)n1 ZINC000067789111 205393080 /nfs/dbraw/zinc/39/30/80/205393080.db2.gz FKTRDOLAHROVDU-UHFFFAOYSA-N 1 0 361.493 4.370 50 0 FIAARO Fc1cccc(CN2CC[NH+](Cc3cccc(-c4ccccn4)c3)CC2)c1 ZINC000072162539 205492351 /nfs/dbraw/zinc/49/23/51/205492351.db2.gz QQVLURJMCPAUEL-UHFFFAOYSA-N 1 0 361.464 4.206 50 0 FIAARO Cc1cc2[nH]c(C(=O)Nc3cc(F)c(F)cc3F)c(C[NH+](C)C)c2s1 ZINC000096363843 205874565 /nfs/dbraw/zinc/87/45/65/205874565.db2.gz GKGDLDRTDWHQAN-UHFFFAOYSA-N 1 0 367.396 4.269 50 0 FIAARO O=C(C[C@@H]1CCc2ccccc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000115338421 206096128 /nfs/dbraw/zinc/09/61/28/206096128.db2.gz PUDQDZRVPQNUBK-IBGZPJMESA-N 1 0 366.480 4.026 50 0 FIAARO Cc1cccc([C@H](O)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000133602096 206127053 /nfs/dbraw/zinc/12/70/53/206127053.db2.gz WQZUXNKRWQOANO-ZWKOTPCHSA-N 1 0 350.384 4.109 50 0 FIAARO C[NH+](C)CCN(C(=O)/C=C/c1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359275 206175618 /nfs/dbraw/zinc/17/56/18/206175618.db2.gz XLJVQIHKOPKCKX-VAWYXSNFSA-N 1 0 369.465 4.043 50 0 FIAARO NC(=[NH2+])Sc1cn(Cc2ccc(Br)cc2)c2ccccc12 ZINC000003866081 206165265 /nfs/dbraw/zinc/16/52/65/206165265.db2.gz YBHGMZFJGFTXTQ-UHFFFAOYSA-N 1 0 360.280 4.438 50 0 FIAARO CC[NH+](CC)CCN(C(=O)Cc1ccccc1)c1nc2ccccc2s1 ZINC000004585321 206179195 /nfs/dbraw/zinc/17/91/95/206179195.db2.gz NWCAJOPQPGMIMJ-UHFFFAOYSA-N 1 0 367.518 4.214 50 0 FIAARO CC1(C)CC(NC(=O)C2c3ccccc3Oc3ccccc32)CC(C)(C)[NH2+]1 ZINC000007771001 206212793 /nfs/dbraw/zinc/21/27/93/206212793.db2.gz UOQPBXOMOGPKRH-UHFFFAOYSA-N 1 0 364.489 4.350 50 0 FIAARO Brc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000004986700 206239704 /nfs/dbraw/zinc/23/97/04/206239704.db2.gz KBOCLJJROCYOSI-UHFFFAOYSA-N 1 0 359.311 4.203 50 0 FIAARO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2SC(C)C)C1 ZINC000170607009 206272516 /nfs/dbraw/zinc/27/25/16/206272516.db2.gz IQZSDFNTBKWZDA-HNNXBMFYSA-N 1 0 354.947 4.189 50 0 FIAARO CCOc1ccc2ccccc2c1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012442751 206291850 /nfs/dbraw/zinc/29/18/50/206291850.db2.gz IGOKOMXLEMHIOC-UHFFFAOYSA-N 1 0 354.494 4.089 50 0 FIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000016309764 206318348 /nfs/dbraw/zinc/31/83/48/206318348.db2.gz GXIUHNGDHPOTMO-BRWVUGGUSA-N 1 0 357.494 4.314 50 0 FIAARO CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(C)cc2)cc1 ZINC000016852013 206321912 /nfs/dbraw/zinc/32/19/12/206321912.db2.gz OWTQNOTUBGZRSO-HSZRJFAPSA-N 1 0 365.497 4.044 50 0 FIAARO FC(F)(F)c1ccccc1C[N@@H+](Cc1ccncc1)C[C@H]1CCCO1 ZINC000215402345 206345395 /nfs/dbraw/zinc/34/53/95/206345395.db2.gz HALPDSFGLBYAKP-QGZVFWFLSA-N 1 0 350.384 4.282 50 0 FIAARO c1ccc(COc2cccc(C[NH+]3CCC(c4ccncc4)CC3)c2)nc1 ZINC000215283222 206345965 /nfs/dbraw/zinc/34/59/65/206345965.db2.gz DTLHMNVTOGKAGX-UHFFFAOYSA-N 1 0 359.473 4.435 50 0 FIAARO c1ccc2nc(C[N@@H+]3CCC[C@H](c4nc(-c5cccnc5)no4)C3)ccc2c1 ZINC000215787781 206351531 /nfs/dbraw/zinc/35/15/31/206351531.db2.gz HIJRQRFKNGAMSX-SFHVURJKSA-N 1 0 371.444 4.059 50 0 FIAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cc2sccc2[nH]1 ZINC000218907100 206375241 /nfs/dbraw/zinc/37/52/41/206375241.db2.gz YTUJYPBBQRDSOO-UHFFFAOYSA-N 1 0 353.491 4.097 50 0 FIAARO C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000057854144 206390946 /nfs/dbraw/zinc/39/09/46/206390946.db2.gz XARCYFBNYZYSAR-ZDUSSCGKSA-N 1 0 351.277 4.003 50 0 FIAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Br ZINC000022777823 206392452 /nfs/dbraw/zinc/39/24/52/206392452.db2.gz UYRDBXOCKKMCNB-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000062582091 206524109 /nfs/dbraw/zinc/52/41/09/206524109.db2.gz VFYPDIKMYIIOSI-NRFANRHFSA-N 1 0 364.489 4.423 50 0 FIAARO CC(C)c1cc(=O)[nH]c(-c2ccccc2C[NH+]2CCC(C(C)C)CC2)n1 ZINC000048134995 221000585 /nfs/dbraw/zinc/00/05/85/221000585.db2.gz YNFYGNBRYLWVLJ-UHFFFAOYSA-N 1 0 353.510 4.428 50 0 FIAARO O=C1CC2(CN1)CCN(c1cc(-c3ccccc3)[nH+]c3ccccc31)CC2 ZINC000077505800 132188296 /nfs/dbraw/zinc/18/82/96/132188296.db2.gz AIQOYKXILQCKME-UHFFFAOYSA-N 1 0 357.457 4.008 50 0 FIAARO CN1C[C@]2(CCCN(c3cc(-c4ccccc4)[nH+]c4ccccc43)C2)OC1=O ZINC000072425506 136146391 /nfs/dbraw/zinc/14/63/91/136146391.db2.gz LBWNXRQMENFEFK-QHCPKHFHSA-N 1 0 373.456 4.323 50 0 FIAARO Cc1ccc(-c2ccc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)cc2)cc1 ZINC000023541765 136153083 /nfs/dbraw/zinc/15/30/83/136153083.db2.gz IHWMOQUCCUVXEQ-UHFFFAOYSA-N 1 0 360.505 4.186 50 0 FIAARO CCCCOc1ccccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020499999 520917214 /nfs/dbraw/zinc/91/72/14/520917214.db2.gz WXOJWQKTKINEQF-UHFFFAOYSA-N 1 0 368.521 4.062 50 0 FIAARO CCOc1cccc(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+]2CCCC2)c1 ZINC000028403422 521323503 /nfs/dbraw/zinc/32/35/03/521323503.db2.gz YBKXVGSQKPFJTC-JOCHJYFZSA-N 1 0 366.505 4.215 50 0 FIAARO CC[NH+]1CCN(CCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020406477 521682236 /nfs/dbraw/zinc/68/22/36/521682236.db2.gz TYDKNQHGYUWUHJ-UHFFFAOYSA-N 1 0 372.940 4.337 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020137560 523351696 /nfs/dbraw/zinc/35/16/96/523351696.db2.gz GSDYJHPGXGKLFL-JOCHJYFZSA-N 1 0 360.505 4.173 50 0 FIAARO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2OC)cc1OC ZINC000019871702 523974911 /nfs/dbraw/zinc/97/49/11/523974911.db2.gz YLMIWINFWCBMCV-UHFFFAOYSA-N 1 0 370.276 4.352 50 0 FIAARO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000020603334 524558529 /nfs/dbraw/zinc/55/85/29/524558529.db2.gz QQTREIORLHTDQZ-GOSISDBHSA-N 1 0 354.498 4.076 50 0 FIAARO Cc1cc(C[NH2+]C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)[nH]n1 ZINC000020906670 524753954 /nfs/dbraw/zinc/75/39/54/524753954.db2.gz BSPXPMJAOIAPMF-UHFFFAOYSA-N 1 0 360.505 4.452 50 0 FIAARO Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2[nH+]1 ZINC000089583141 525275501 /nfs/dbraw/zinc/27/55/01/525275501.db2.gz RMPMKFCEOSREAL-LJQANCHMSA-N 1 0 353.491 4.090 50 0 FIAARO CSc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019900173 525991335 /nfs/dbraw/zinc/99/13/35/525991335.db2.gz PBTHYSRKNBAWAF-UHFFFAOYSA-N 1 0 351.519 4.208 50 0 FIAARO Cc1cc(Br)c(OCCCCCC[NH+]2CCOCC2)cc1C ZINC000020033162 526152049 /nfs/dbraw/zinc/15/20/49/526152049.db2.gz DJFILDUPZIRQNX-UHFFFAOYSA-N 1 0 370.331 4.337 50 0 FIAARO O=C(OC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cnco2)cc1 ZINC000089834887 526422519 /nfs/dbraw/zinc/42/25/19/526422519.db2.gz YMDPQGYEGUQFNI-SFHVURJKSA-N 1 0 362.429 4.021 50 0 FIAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2ccccc21 ZINC000089832360 526538752 /nfs/dbraw/zinc/53/87/52/526538752.db2.gz GWTFAMUBVROOKQ-FQEVSTJZSA-N 1 0 358.485 4.134 50 0 FIAARO O=C(CCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000020599347 526609665 /nfs/dbraw/zinc/60/96/65/526609665.db2.gz ZDJHIXMWGGZRIT-LJQANCHMSA-N 1 0 370.924 4.301 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000089834920 527253896 /nfs/dbraw/zinc/25/38/96/527253896.db2.gz IPECTTDKKGVPAH-JOCHJYFZSA-N 1 0 372.512 4.411 50 0 FIAARO FC(F)Oc1cccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000089780666 527696698 /nfs/dbraw/zinc/69/66/98/527696698.db2.gz FUYUPSDRBXZQHP-UHFFFAOYSA-N 1 0 355.388 4.454 50 0 FIAARO CCOc1ccc(-c2nc(CN3CCC[C@@H]3c3nonc3C)c(C)o2)cc1 ZINC000014949931 568122945 /nfs/dbraw/zinc/12/29/45/568122945.db2.gz SKMSGUOMTACWNG-GOSISDBHSA-N 1 0 368.437 4.077 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(OC)cc1C)[NH2+]CC2 ZINC000000718297 568130397 /nfs/dbraw/zinc/13/03/97/568130397.db2.gz RLQWVVKVUMGCBB-QFIPXVFZSA-N 1 0 355.478 4.345 50 0 FIAARO CC(C)(C)C[N@@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000014958091 568259828 /nfs/dbraw/zinc/25/98/28/568259828.db2.gz DBSRRBNSWDLTFK-HSZRJFAPSA-N 1 0 369.505 4.214 50 0 FIAARO OC1(c2ccccc2)CC[NH+](Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000220727203 568359312 /nfs/dbraw/zinc/35/93/12/568359312.db2.gz RQSYCGXFDSFTSB-IBGZPJMESA-N 1 0 357.519 4.473 50 0 FIAARO CCCCn1ccnc1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000091964679 570443576 /nfs/dbraw/zinc/44/35/76/570443576.db2.gz LWWOCGVOBMMBRA-UHFFFAOYSA-N 1 0 363.509 4.249 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)o1 ZINC000091974044 570444124 /nfs/dbraw/zinc/44/41/24/570444124.db2.gz MWGJYFYFEYBBTE-VMPITWQZSA-N 1 0 364.489 4.116 50 0 FIAARO COc1c[nH]c(C[N@@H+]2CCCC(c3ccccc3)(c3ccccc3)C2)cc1=O ZINC000091988501 570444499 /nfs/dbraw/zinc/44/44/99/570444499.db2.gz NVTYFXQUGCGZIJ-UHFFFAOYSA-N 1 0 374.484 4.378 50 0 FIAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(N(C)c3ccccc3)cc2)C[C@H]1C ZINC000092037265 570445513 /nfs/dbraw/zinc/44/55/13/570445513.db2.gz HERDCOPKGUVHNW-AUSIDOKSSA-N 1 0 368.521 4.064 50 0 FIAARO Fc1cccc([C@@H]2CN(C/C=C/c3ccco3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000095353794 570452109 /nfs/dbraw/zinc/45/21/09/570452109.db2.gz CVNZUQFWYAKOSC-BQFHMJASSA-N 1 0 370.443 4.133 50 0 FIAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000095361188 570454043 /nfs/dbraw/zinc/45/40/43/570454043.db2.gz SOYMUXXGJOFKFA-IBGZPJMESA-N 1 0 366.480 4.167 50 0 FIAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1ccc(F)cc1)C2 ZINC000095365528 570454979 /nfs/dbraw/zinc/45/49/79/570454979.db2.gz JCZVXPIUBVGVGR-YLJYHZDGSA-N 1 0 366.480 4.439 50 0 FIAARO Cc1ccnc([C@@H](NC(=O)C2CC[NH+](C3CCCCC3)CC2)C2CC2)c1 ZINC000095382378 570458831 /nfs/dbraw/zinc/45/88/31/570458831.db2.gz XXJDBHOGNGHCKC-NRFANRHFSA-N 1 0 355.526 4.002 50 0 FIAARO CCCOc1ccc(Cl)cc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095388954 570460668 /nfs/dbraw/zinc/46/06/68/570460668.db2.gz DZOFHJLLAMMLBC-KRWDZBQOSA-N 1 0 352.906 4.010 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1nccs1 ZINC000095390241 570460904 /nfs/dbraw/zinc/46/09/04/570460904.db2.gz ORRVIWGEBVENKP-SFHVURJKSA-N 1 0 355.507 4.106 50 0 FIAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCCc2cccnc2)c1 ZINC000095498353 570462171 /nfs/dbraw/zinc/46/21/71/570462171.db2.gz SKCHBJFPBMNLQF-SFHVURJKSA-N 1 0 366.509 4.210 50 0 FIAARO CCC[C@@H]1C[N@H+](Cc2ccc3c4ccccc4n(C)c3c2)C[C@H]1NC(C)=O ZINC000095499459 570462919 /nfs/dbraw/zinc/46/29/19/570462919.db2.gz WKSJDEZNKFILQC-WIYYLYMNSA-N 1 0 363.505 4.068 50 0 FIAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CC(C)C ZINC000000942225 570464664 /nfs/dbraw/zinc/46/46/64/570464664.db2.gz ZMNDXSVKWPRMEG-UHFFFAOYSA-N 1 0 374.506 4.084 50 0 FIAARO Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000095516912 570466473 /nfs/dbraw/zinc/46/64/73/570466473.db2.gz NGYDNQVXLZTFGC-NRFANRHFSA-N 1 0 367.493 4.336 50 0 FIAARO Cc1ncsc1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000096140820 570476555 /nfs/dbraw/zinc/47/65/55/570476555.db2.gz BBWHKPVPEKRLAK-LJQANCHMSA-N 1 0 371.550 4.118 50 0 FIAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000096142214 570477241 /nfs/dbraw/zinc/47/72/41/570477241.db2.gz IGBYCZGRFGANGA-UHFFFAOYSA-N 1 0 369.534 4.359 50 0 FIAARO CC1(C)CC(NC(=O)Nc2cccc(OC(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000044018171 570479609 /nfs/dbraw/zinc/47/96/09/570479609.db2.gz YYBKGSUOVDQGHQ-UHFFFAOYSA-N 1 0 359.392 4.016 50 0 FIAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001148805 570484358 /nfs/dbraw/zinc/48/43/58/570484358.db2.gz YREBILLEOYMNGN-UHFFFAOYSA-N 1 0 370.880 4.386 50 0 FIAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000097402350 570486816 /nfs/dbraw/zinc/48/68/16/570486816.db2.gz MUPNUESJHSMNOC-QFIPXVFZSA-N 1 0 363.505 4.041 50 0 FIAARO Cc1cc(C)nc(CN(C)C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)c1 ZINC000097425212 570487512 /nfs/dbraw/zinc/48/75/12/570487512.db2.gz GHARXINAZXZVHE-QGZVFWFLSA-N 1 0 355.482 4.111 50 0 FIAARO NC(=O)CCC1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000097515118 570489411 /nfs/dbraw/zinc/48/94/11/570489411.db2.gz RTXYVWCHEKDUSR-UHFFFAOYSA-N 1 0 356.897 4.485 50 0 FIAARO CCn1c(C)[n+](-c2ccccc2)c2ccc(C(=O)Nc3ccccc3)cc21 ZINC000001225199 570495346 /nfs/dbraw/zinc/49/53/46/570495346.db2.gz QFVCSPSXUXAZMS-UHFFFAOYSA-O 1 0 356.449 4.499 50 0 FIAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnc(N(C)C)s2)cc1 ZINC000102142170 570514627 /nfs/dbraw/zinc/51/46/27/570514627.db2.gz YKLDNVSKAXFMQS-BJWYYQGGSA-N 1 0 357.523 4.128 50 0 FIAARO CCNC(=O)[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716599 570544793 /nfs/dbraw/zinc/54/47/93/570544793.db2.gz VRKMRYOIDJUCIQ-ROUUACIJSA-N 1 0 374.887 4.221 50 0 FIAARO CC(C)Cc1ccc([C@@H]([NH2+]Cc2cc(=O)n3ccccc3n2)C(C)C)cc1 ZINC000050275823 570544911 /nfs/dbraw/zinc/54/49/11/570544911.db2.gz UUEUGSHCYDZBEK-QHCPKHFHSA-N 1 0 363.505 4.380 50 0 FIAARO CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739896 570550634 /nfs/dbraw/zinc/55/06/34/570550634.db2.gz ATMUTJWWIXXRMM-QUCCMNQESA-N 1 0 356.897 4.429 50 0 FIAARO CCc1ccc2c(c1)c(C)c(C(=O)N1CCC([NH+]3CCCCC3)CC1)n2C ZINC000033435946 570551748 /nfs/dbraw/zinc/55/17/48/570551748.db2.gz NAKJWHLRSONEJA-UHFFFAOYSA-N 1 0 367.537 4.140 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1C)c1ccccc1Cl ZINC000011917280 570601829 /nfs/dbraw/zinc/60/18/29/570601829.db2.gz LDBPEJQEFQKCOA-LJQANCHMSA-N 1 0 374.912 4.227 50 0 FIAARO C[C@@H]1C[C@@H]([NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC000252479298 570622102 /nfs/dbraw/zinc/62/21/02/570622102.db2.gz BCQJMWVLQQDVBK-HAYURNKSSA-N 1 0 366.546 4.100 50 0 FIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000007540992 570666449 /nfs/dbraw/zinc/66/64/49/570666449.db2.gz PDSVHZRPUVFCPV-AWEZNQCLSA-N 1 0 351.402 4.018 50 0 FIAARO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1CCCC[C@H]1CCCO ZINC000011753712 570706181 /nfs/dbraw/zinc/70/61/81/570706181.db2.gz WYEGTGUTQRERGE-HNNXBMFYSA-N 1 0 350.409 4.055 50 0 FIAARO Clc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)s1 ZINC000011818684 570708045 /nfs/dbraw/zinc/70/80/45/570708045.db2.gz JQOIBUNUWTUOFS-ZDUSSCGKSA-N 1 0 350.871 4.207 50 0 FIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000011873098 570710373 /nfs/dbraw/zinc/71/03/73/570710373.db2.gz KZPJZURULBYNEK-QGZVFWFLSA-N 1 0 356.466 4.266 50 0 FIAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011874674 570710749 /nfs/dbraw/zinc/71/07/49/570710749.db2.gz VCRQXPAUVWQEBD-FQEVSTJZSA-N 1 0 365.851 4.435 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(C)c1C ZINC000012000184 570714051 /nfs/dbraw/zinc/71/40/51/570714051.db2.gz DZXRKBDSFIIKJY-QHCPKHFHSA-N 1 0 353.506 4.129 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012301207 570733789 /nfs/dbraw/zinc/73/37/89/570733789.db2.gz DBJAQXONQHGMPP-JOCHJYFZSA-N 1 0 357.469 4.042 50 0 FIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012301337 570733906 /nfs/dbraw/zinc/73/39/06/570733906.db2.gz MSQFXESJFBDWSX-SFHVURJKSA-N 1 0 351.450 4.214 50 0 FIAARO c1cnn(-c2cccc(C[NH2+]Cc3cccnc3Oc3ccccc3)c2)c1 ZINC000012448269 570746524 /nfs/dbraw/zinc/74/65/24/570746524.db2.gz FJYQBDUJQDQTFH-UHFFFAOYSA-N 1 0 356.429 4.349 50 0 FIAARO CC(C)(C)c1ccc(OCC(=O)N2CCC(CC[NH+]3CCCC3)CC2)cc1 ZINC000032593851 570750498 /nfs/dbraw/zinc/75/04/98/570750498.db2.gz UIWMDKDZDBQRLA-UHFFFAOYSA-N 1 0 372.553 4.087 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1OC ZINC000012578771 570751339 /nfs/dbraw/zinc/75/13/39/570751339.db2.gz SRTAAKJZWIGKMQ-MRXNPFEDSA-N 1 0 362.420 4.059 50 0 FIAARO CC[C@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012576859 570751392 /nfs/dbraw/zinc/75/13/92/570751392.db2.gz VYDGIBQQEYOQMM-KRWDZBQOSA-N 1 0 373.859 4.192 50 0 FIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1CC12CCCC2 ZINC000012589653 570751971 /nfs/dbraw/zinc/75/19/71/570751971.db2.gz HJCRZKYQIFDCIH-HXUWFJFHSA-N 1 0 372.528 4.119 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000012703740 570756746 /nfs/dbraw/zinc/75/67/46/570756746.db2.gz WXRLCORTXAAASP-UHFFFAOYSA-N 1 0 367.489 4.083 50 0 FIAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000012713451 570757681 /nfs/dbraw/zinc/75/76/81/570757681.db2.gz OENNTMRIWHABEH-UHFFFAOYSA-N 1 0 366.509 4.106 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+](CCO)C(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000012714285 570757723 /nfs/dbraw/zinc/75/77/23/570757723.db2.gz VUMXKBBZPGPCSV-UHFFFAOYSA-N 1 0 367.468 4.190 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cccs1 ZINC000012713565 570757997 /nfs/dbraw/zinc/75/79/97/570757997.db2.gz OEIYDOHFKVKOGN-UHFFFAOYSA-N 1 0 370.562 4.473 50 0 FIAARO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 ZINC000032664955 570767927 /nfs/dbraw/zinc/76/79/27/570767927.db2.gz AADKAFKIVUASIG-HOTGVXAUSA-N 1 0 359.514 4.008 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000013002025 570772062 /nfs/dbraw/zinc/77/20/62/570772062.db2.gz WKAOWMZUJYSYOS-AVRDEDQJSA-N 1 0 366.505 4.408 50 0 FIAARO COc1ccccc1NC(=O)CN1CCC(CCc2ccc(C)cc2)CC1 ZINC000013002578 570772106 /nfs/dbraw/zinc/77/21/06/570772106.db2.gz PUCFAJMMQKBSGX-UHFFFAOYSA-N 1 0 366.505 4.287 50 0 FIAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCc2sccc2C1 ZINC000013006507 570772593 /nfs/dbraw/zinc/77/25/93/570772593.db2.gz WVTJEPWOZBTIJN-HXUWFJFHSA-N 1 0 365.498 4.213 50 0 FIAARO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000013153525 570775159 /nfs/dbraw/zinc/77/51/59/570775159.db2.gz UFHWOVCVCKOHGI-IEBWSBKVSA-N 1 0 364.272 4.016 50 0 FIAARO CCCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000032721932 570782915 /nfs/dbraw/zinc/78/29/15/570782915.db2.gz ZKGDGMMIKZXIIU-UHFFFAOYSA-N 1 0 356.535 4.403 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)cc1 ZINC000013945733 570798494 /nfs/dbraw/zinc/79/84/94/570798494.db2.gz RBNOCTQXKJWHAC-FQEVSTJZSA-N 1 0 370.924 4.219 50 0 FIAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(-c3ccccc3OC)c2)C1 ZINC000173147745 570805725 /nfs/dbraw/zinc/80/57/25/570805725.db2.gz QLQSTJHMDWKIQG-IBGZPJMESA-N 1 0 367.493 4.310 50 0 FIAARO CSc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000014972634 570827444 /nfs/dbraw/zinc/82/74/44/570827444.db2.gz QEDSCXSEMFPIEJ-OAQYLSRUSA-N 1 0 359.510 4.365 50 0 FIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1C ZINC000015075630 570831805 /nfs/dbraw/zinc/83/18/05/570831805.db2.gz DOHVCWYVYDSUPU-GOSISDBHSA-N 1 0 371.550 4.337 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3Cl)cc(=O)oc2c1 ZINC000015103433 570833481 /nfs/dbraw/zinc/83/34/81/570833481.db2.gz HGTMLXJTQNPWPF-UHFFFAOYSA-N 1 0 357.837 4.266 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860278 570846633 /nfs/dbraw/zinc/84/66/33/570846633.db2.gz RWCUNSRJIYNZDW-GOSISDBHSA-N 1 0 360.885 4.444 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860277 570846642 /nfs/dbraw/zinc/84/66/42/570846642.db2.gz RWCUNSRJIYNZDW-SFHVURJKSA-N 1 0 360.885 4.444 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000104103261 570856813 /nfs/dbraw/zinc/85/68/13/570856813.db2.gz CRLAIAQPBJRWEB-GCJKJVERSA-N 1 0 366.505 4.326 50 0 FIAARO c1cn(CCC[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cn1 ZINC000019114306 570880293 /nfs/dbraw/zinc/88/02/93/570880293.db2.gz FCVLYOYDLNOEHK-UHFFFAOYSA-N 1 0 357.461 4.120 50 0 FIAARO CC1CCC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000019359686 570887596 /nfs/dbraw/zinc/88/75/96/570887596.db2.gz CMQJAFMJIPYRSC-UHFFFAOYSA-N 1 0 351.332 4.145 50 0 FIAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019362150 570887278 /nfs/dbraw/zinc/88/72/78/570887278.db2.gz OWGHSDXRNVLLLV-QAPCUYQASA-N 1 0 351.332 4.145 50 0 FIAARO CCOCCN1CC[NH+]([C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000019369491 570887855 /nfs/dbraw/zinc/88/78/55/570887855.db2.gz ZGIUFOVBQWVHDX-QFIPXVFZSA-N 1 0 368.546 4.036 50 0 FIAARO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000019633633 570896335 /nfs/dbraw/zinc/89/63/35/570896335.db2.gz NOFFTDILTJQGTQ-UHFFFAOYSA-N 1 0 350.437 4.310 50 0 FIAARO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2ccccc12 ZINC000019634439 570896460 /nfs/dbraw/zinc/89/64/60/570896460.db2.gz IDSWAFSQGDXLSN-UHFFFAOYSA-N 1 0 350.437 4.310 50 0 FIAARO Clc1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000020065854 570909351 /nfs/dbraw/zinc/90/93/51/570909351.db2.gz JXIAHRIVPHUJDB-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO CN1CCc2c(sc3c2C[NH2+][C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865001 570926151 /nfs/dbraw/zinc/92/61/51/570926151.db2.gz UCCWAWCERYEXCM-IBGZPJMESA-N 1 0 369.921 4.373 50 0 FIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000021720787 570933864 /nfs/dbraw/zinc/93/38/64/570933864.db2.gz ZFVFJTAJMHAGMK-SFHVURJKSA-N 1 0 366.465 4.281 50 0 FIAARO Clc1ccc([C@H](c2ccc(Br)cc2)N2CC[NH2+]CC2)cc1 ZINC000022113647 570939576 /nfs/dbraw/zinc/93/95/76/570939576.db2.gz ZEERMATYAKOGKR-KRWDZBQOSA-N 1 0 365.702 4.097 50 0 FIAARO c1ccc(-c2ccc(-c3nc4ccccn4c3CN3CC[NH2+]CC3)cc2)cc1 ZINC000022464809 570944273 /nfs/dbraw/zinc/94/42/73/570944273.db2.gz UMFLHBYSWZMUTC-UHFFFAOYSA-N 1 0 368.484 4.074 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000048326876 570947470 /nfs/dbraw/zinc/94/74/70/570947470.db2.gz LODNTOZRABSGLP-UHFFFAOYSA-N 1 0 367.493 4.391 50 0 FIAARO C[NH+]1CCN([C@@H]2Cc3ccc(O)cc3Sc3ccc(Cl)cc32)CC1 ZINC000022859648 570951705 /nfs/dbraw/zinc/95/17/05/570951705.db2.gz HDUCYHDSWYYLFG-QGZVFWFLSA-N 1 0 360.910 4.041 50 0 FIAARO COc1ccc([C@H](CNc2ncnc3cc(Cl)ccc32)[NH+](C)C)cc1 ZINC000023200027 570959126 /nfs/dbraw/zinc/95/91/26/570959126.db2.gz QZQSIHUGFLKJOL-SFHVURJKSA-N 1 0 356.857 4.007 50 0 FIAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023382013 570962737 /nfs/dbraw/zinc/96/27/37/570962737.db2.gz RIIMNQHQZLDDBU-UHFFFAOYSA-N 1 0 356.897 4.211 50 0 FIAARO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000023752180 570967190 /nfs/dbraw/zinc/96/71/90/570967190.db2.gz MJKIYZBLCYHQHI-KRWDZBQOSA-N 1 0 362.477 4.170 50 0 FIAARO CC1(C)CC(Nc2nc(-c3ccncc3)nc3ccccc32)CC(C)(C)[NH2+]1 ZINC000025165937 570991801 /nfs/dbraw/zinc/99/18/01/570991801.db2.gz IJXDGUBUQSJEPK-UHFFFAOYSA-N 1 0 361.493 4.413 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331363 570994490 /nfs/dbraw/zinc/99/44/90/570994490.db2.gz RMADLLHHSAQSQX-MLGOLLRUSA-N 1 0 368.955 4.301 50 0 FIAARO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000026915684 571009060 /nfs/dbraw/zinc/00/90/60/571009060.db2.gz BFSCTWDOELHYQE-JOCHJYFZSA-N 1 0 363.505 4.153 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581761 571014544 /nfs/dbraw/zinc/01/45/44/571014544.db2.gz WXTBONVWSNSMJM-NRFANRHFSA-N 1 0 366.505 4.351 50 0 FIAARO CCc1ccc([C@@H](CNC(=O)c2ccc(CSC)cc2)[NH+](C)C)cc1 ZINC000027596281 571016226 /nfs/dbraw/zinc/01/62/26/571016226.db2.gz ORPRHZIOHVGVIC-HXUWFJFHSA-N 1 0 356.535 4.145 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027662712 571016956 /nfs/dbraw/zinc/01/69/56/571016956.db2.gz LTKKMWRGTJAVBE-OAQYLSRUSA-N 1 0 366.505 4.026 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027748012 571020059 /nfs/dbraw/zinc/02/00/59/571020059.db2.gz GYDYCOAHQNSLBM-HXUWFJFHSA-N 1 0 372.896 4.306 50 0 biogenic FIAARO CC(C)Oc1ccc(C(=O)N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000027994716 571025847 /nfs/dbraw/zinc/02/58/47/571025847.db2.gz NQCHHJXDXHVVHS-UHFFFAOYSA-N 1 0 358.526 4.202 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028291885 571030338 /nfs/dbraw/zinc/03/03/38/571030338.db2.gz IIECWIZMVMLGPE-JOCHJYFZSA-N 1 0 366.505 4.431 50 0 FIAARO CC(C)COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293129 571030888 /nfs/dbraw/zinc/03/08/88/571030888.db2.gz UYIFTQQXBZNVBD-JOCHJYFZSA-N 1 0 366.505 4.288 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028403158 571031771 /nfs/dbraw/zinc/03/17/71/571031771.db2.gz WUFNJTKIYVFIRU-IBGZPJMESA-N 1 0 372.534 4.025 50 0 FIAARO C[N@H+](CC(=O)Nc1cccc(Br)c1)[C@@H]1CCc2ccccc21 ZINC000029482512 571040262 /nfs/dbraw/zinc/04/02/62/571040262.db2.gz PMMIGQRJUDUNCM-QGZVFWFLSA-N 1 0 359.267 4.007 50 0 FIAARO c1ccc2c(c1)cccc2C1=NN2[C@@H](C1)c1ccccc1OC21CC[NH2+]CC1 ZINC000001250112 571044738 /nfs/dbraw/zinc/04/47/38/571044738.db2.gz HZOPGDLJKXQZMH-QFIPXVFZSA-N 1 0 369.468 4.463 50 0 FIAARO CCCC[C@H](CC)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103828 571076640 /nfs/dbraw/zinc/07/66/40/571076640.db2.gz DHDIGCPZMDOGKV-SFHVURJKSA-N 1 0 360.546 4.085 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 ZINC000040158335 571088669 /nfs/dbraw/zinc/08/86/69/571088669.db2.gz IKDZPIFNUSUNDJ-UHFFFAOYSA-N 1 0 350.293 4.015 50 0 FIAARO CC(C)[C@@H]1C[C@](CC[NH2+]C2CCN(C)CC2)(Cc2ccccc2)CCO1 ZINC000009047116 571093869 /nfs/dbraw/zinc/09/38/69/571093869.db2.gz FVOUTONKTROUNU-GOTSBHOMSA-N 1 0 358.570 4.124 50 0 FIAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccccc1Br ZINC000069520062 571098745 /nfs/dbraw/zinc/09/87/45/571098745.db2.gz DNWHQQLKHRXCFU-INIZCTEOSA-N 1 0 373.294 4.267 50 0 FIAARO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)CC[C@@]1(O)c1ccccc1 ZINC000034617354 571101633 /nfs/dbraw/zinc/10/16/33/571101633.db2.gz LNTVSDPXHOIVLW-LADGPHEKSA-N 1 0 363.501 4.412 50 0 FIAARO O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000012809666 571111158 /nfs/dbraw/zinc/11/11/58/571111158.db2.gz AKRKBGURQPQYEH-UHFFFAOYSA-N 1 0 364.367 4.002 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1ccc(N2CCCc3ccccc32)s1 ZINC000015732241 571111784 /nfs/dbraw/zinc/11/17/84/571111784.db2.gz YKZSDVHPCWHVJC-UHFFFAOYSA-N 1 0 371.550 4.294 50 0 FIAARO c1ncn(Cc2ccccc2)c1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000244899534 571119831 /nfs/dbraw/zinc/11/98/31/571119831.db2.gz ZLFDTWXWILWWAJ-QFIPXVFZSA-N 1 0 360.505 4.314 50 0 FIAARO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862297 571138376 /nfs/dbraw/zinc/13/83/76/571138376.db2.gz FSALAHLOUVFJOU-UHFFFAOYSA-N 1 0 370.880 4.139 50 0 FIAARO CC1(C)CC(N=Nc2ncnc3sc4c(c32)CCCC4)CC(C)(C)[NH2+]1 ZINC000005464782 571140359 /nfs/dbraw/zinc/14/03/59/571140359.db2.gz SDUZLTRVOYDVOP-UHFFFAOYSA-N 1 0 357.527 4.279 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(SC(F)F)cc1)c1cccc(F)c1 ZINC000012952826 571156376 /nfs/dbraw/zinc/15/63/76/571156376.db2.gz VNRHUKKBWXPUJN-MRXNPFEDSA-N 1 0 368.424 4.173 50 0 FIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071763488 571165730 /nfs/dbraw/zinc/16/57/30/571165730.db2.gz YQMJVWLCHJPSSR-IBGZPJMESA-N 1 0 357.469 4.042 50 0 FIAARO CCOC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000071769333 571166253 /nfs/dbraw/zinc/16/62/53/571166253.db2.gz VSEADWMCWJASJY-OAQYLSRUSA-N 1 0 351.490 4.266 50 0 FIAARO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c2cccc(C)c2n1 ZINC000033252841 571168714 /nfs/dbraw/zinc/16/87/14/571168714.db2.gz JHRHQJCZQAMIDQ-UHFFFAOYSA-N 1 0 361.489 4.104 50 0 FIAARO CCc1nc(C)sc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072130727 571171188 /nfs/dbraw/zinc/17/11/88/571171188.db2.gz YSOOEZUCNYEOQO-STZQEDGTSA-N 1 0 367.562 4.076 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)c(C)c1=O ZINC000072137134 571171656 /nfs/dbraw/zinc/17/16/56/571171656.db2.gz BNJOXOHPNCSNMG-MRXNPFEDSA-N 1 0 360.448 4.115 50 0 FIAARO CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072143639 571172199 /nfs/dbraw/zinc/17/21/99/571172199.db2.gz QQAYRQLUXBWNCP-UHFFFAOYSA-N 1 0 355.869 4.122 50 0 FIAARO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1F ZINC000229797895 571178302 /nfs/dbraw/zinc/17/83/02/571178302.db2.gz XBIMOBQCOAJXSD-CRAIPNDOSA-N 1 0 366.440 4.432 50 0 FIAARO Cc1cccc2cc(C[NH2+][C@H]3CCCCNC3=O)c(-c3cccs3)nc12 ZINC000299759377 571192924 /nfs/dbraw/zinc/19/29/24/571192924.db2.gz RIMYAMWITPHMHW-KRWDZBQOSA-N 1 0 365.502 4.030 50 0 FIAARO OC1CC[NH+](Cc2cc3cc4c(cc3nc2-c2cccs2)CCC4)CC1 ZINC000072424216 571193878 /nfs/dbraw/zinc/19/38/78/571193878.db2.gz CETLSJIINJUYAX-UHFFFAOYSA-N 1 0 364.514 4.409 50 0 FIAARO C[N@H+](CCCSc1ccccc1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299774620 571196783 /nfs/dbraw/zinc/19/67/83/571196783.db2.gz HFSCRSCBKGQNHP-GOSISDBHSA-N 1 0 354.519 4.154 50 0 FIAARO CCCc1cc(CN(C)C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)[nH]n1 ZINC000299786056 571199419 /nfs/dbraw/zinc/19/94/19/571199419.db2.gz VORUKLPQHLPOET-UHFFFAOYSA-N 1 0 368.525 4.010 50 0 FIAARO Cc1cc2cccc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4C)C3)c2o1 ZINC000299801911 571203439 /nfs/dbraw/zinc/20/34/39/571203439.db2.gz YPOKBIAOEAUTTQ-LJQANCHMSA-N 1 0 362.473 4.269 50 0 FIAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3cnc(C(C)C)s3)cc2)CC1 ZINC000534666287 571208491 /nfs/dbraw/zinc/20/84/91/571208491.db2.gz PKXWLALMJSPYGU-UHFFFAOYSA-N 1 0 357.523 4.101 50 0 FIAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC[N@@H+]1C(C)C ZINC000077452165 571211961 /nfs/dbraw/zinc/21/19/61/571211961.db2.gz JOXLTPRTLKXHHO-HXUWFJFHSA-N 1 0 352.478 4.004 50 0 FIAARO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000096968076 571217168 /nfs/dbraw/zinc/21/71/68/571217168.db2.gz STSKQUKACYYHCC-MRXNPFEDSA-N 1 0 352.265 4.418 50 0 FIAARO O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000426386878 571217980 /nfs/dbraw/zinc/21/79/80/571217980.db2.gz JLKREWCSWGORTC-KRWDZBQOSA-N 1 0 374.406 4.293 50 0 FIAARO Cc1cc(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)ccn1 ZINC000426401813 571220304 /nfs/dbraw/zinc/22/03/04/571220304.db2.gz MHUVJIPFNMGDPN-GOSISDBHSA-N 1 0 363.505 4.051 50 0 FIAARO CSc1ccccc1-c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000426412389 571221802 /nfs/dbraw/zinc/22/18/02/571221802.db2.gz KZUFVHCNXXQUJT-SFHVURJKSA-N 1 0 354.519 4.242 50 0 FIAARO CC(=O)c1sccc1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC000426545506 571231175 /nfs/dbraw/zinc/23/11/75/571231175.db2.gz XCHQGCRDKCNNFJ-SFHVURJKSA-N 1 0 370.518 4.220 50 0 FIAARO Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)CN1CCc2sccc2C1 ZINC000084067773 571232332 /nfs/dbraw/zinc/23/23/32/571232332.db2.gz UNVBHCCUWYSSAJ-CYBMUJFWSA-N 1 0 372.465 4.177 50 0 FIAARO CC(C)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)on1 ZINC000091574628 571240823 /nfs/dbraw/zinc/24/08/23/571240823.db2.gz WELIXTRJIWHMEX-IBGZPJMESA-N 1 0 355.482 4.145 50 0 FIAARO O=C1NCCC[C@@]12CC[N@@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)C2 ZINC000091616843 571241272 /nfs/dbraw/zinc/24/12/72/571241272.db2.gz WIDNWHWVDPOXHU-NRFANRHFSA-N 1 0 370.880 4.234 50 0 FIAARO CC[C@@H]1CN(C(=O)c2cc3cc(Cl)cc(OC)c3o2)CC[N@@H+]1C(C)C ZINC000091737647 571242899 /nfs/dbraw/zinc/24/28/99/571242899.db2.gz XYHWBUAPDWETSY-OAHLLOKOSA-N 1 0 364.873 4.040 50 0 FIAARO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000006906410 571254154 /nfs/dbraw/zinc/25/41/54/571254154.db2.gz VXELRUINNCYPHF-OAQYLSRUSA-N 1 0 371.521 4.002 50 0 FIAARO CCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000065285369 571260034 /nfs/dbraw/zinc/26/00/34/571260034.db2.gz DUDLGJTUSYELGZ-SFHVURJKSA-N 1 0 364.493 4.230 50 0 FIAARO Cc1oc2c(c1C(=O)N1CCC(C)CC1)CN(Cc1cccc(F)c1)CC2 ZINC000065292004 571260568 /nfs/dbraw/zinc/26/05/68/571260568.db2.gz CLCHXDMDCHAQPW-UHFFFAOYSA-N 1 0 370.468 4.158 50 0 FIAARO Cc1ccc2nc(C[N@@H+](C)C(c3ccccc3)c3ccccc3)cc(=O)n2c1 ZINC000007623937 571284841 /nfs/dbraw/zinc/28/48/41/571284841.db2.gz NVZLWNAQBBKYSQ-UHFFFAOYSA-N 1 0 369.468 4.224 50 0 FIAARO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCOC(C)C ZINC000007779655 571288561 /nfs/dbraw/zinc/28/85/61/571288561.db2.gz GNMHMJUPHOKHBJ-UHFFFAOYSA-N 1 0 370.324 4.451 50 0 FIAARO CCc1ccc(N2C(=O)C[C@H]([NH+](CCC(C)C)CCC(C)C)C2=O)cc1 ZINC000002227384 571291386 /nfs/dbraw/zinc/29/13/86/571291386.db2.gz XDSCHLABBKFZIQ-FQEVSTJZSA-N 1 0 358.526 4.275 50 0 FIAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000094993179 571328576 /nfs/dbraw/zinc/32/85/76/571328576.db2.gz ZEPORLSJGICBGQ-UHFFFAOYSA-N 1 0 374.403 4.074 50 0 FIAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000094993177 571328618 /nfs/dbraw/zinc/32/86/18/571328618.db2.gz WWTZLILAAJRLEC-UHFFFAOYSA-N 1 0 374.403 4.074 50 0 FIAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(F)c(F)c(F)c1F ZINC000095369475 571328986 /nfs/dbraw/zinc/32/89/86/571328986.db2.gz HLLPFQINDIOZOT-UHFFFAOYSA-N 1 0 366.358 4.134 50 0 FIAARO C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466106 571330423 /nfs/dbraw/zinc/33/04/23/571330423.db2.gz JKSWQEKCGQVFMO-GOEBONIOSA-N 1 0 360.860 4.120 50 0 FIAARO Cc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc(C)c1OC(F)F ZINC000095468638 571330544 /nfs/dbraw/zinc/33/05/44/571330544.db2.gz GCICORIQJIFEIU-MRXNPFEDSA-N 1 0 363.452 4.093 50 0 FIAARO CCCC[N@H+](CC)Cc1cccn1-c1nnc(N2CCC(C)CC2)s1 ZINC000020576389 571331201 /nfs/dbraw/zinc/33/12/01/571331201.db2.gz WRVBMEGMMGUZOI-UHFFFAOYSA-N 1 0 361.559 4.187 50 0 FIAARO CC[C@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000021170353 571333457 /nfs/dbraw/zinc/33/34/57/571333457.db2.gz FMRDNMNLODQRLF-YADHBBJMSA-N 1 0 373.924 4.362 50 0 FIAARO COc1cc(CNc2cc(C[NH+](C)C)ccn2)ccc1OCCC(C)C ZINC000095992273 571333568 /nfs/dbraw/zinc/33/35/68/571333568.db2.gz ABTLEHKANZASGK-UHFFFAOYSA-N 1 0 357.498 4.189 50 0 FIAARO CC[NH+](CC)CCN1C[C@H](c2ccccc2)Sc2ccccc2C1=O ZINC000096027482 571334134 /nfs/dbraw/zinc/33/41/34/571334134.db2.gz KAQQOQDDLNJTQC-HXUWFJFHSA-N 1 0 354.519 4.318 50 0 FIAARO CCOc1ccccc1NC(=O)OC[C@]1(c2ccccc2)CCC[N@H+](C)C1 ZINC000096027375 571334161 /nfs/dbraw/zinc/33/41/61/571334161.db2.gz GJHLNXPARVEHAM-QFIPXVFZSA-N 1 0 368.477 4.297 50 0 FIAARO O=C1S/C(=C\c2ccccc2Cl)C(=O)N1C[NH2+]C1CCCCC1 ZINC000334163568 571336342 /nfs/dbraw/zinc/33/63/42/571336342.db2.gz XIVWYIVJJSZGMO-GDNBJRDFSA-N 1 0 350.871 4.256 50 0 FIAARO Cc1ccc2cc(C(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)[nH]c2c1 ZINC000031765383 571353520 /nfs/dbraw/zinc/35/35/20/571353520.db2.gz BNTOIJAEWGYFTL-UHFFFAOYSA-N 1 0 361.489 4.133 50 0 FIAARO COc1ccc(C2([NH2+]C[C@H]3CCCC(F)(F)C3)CCOCC2)cc1F ZINC000888093072 1086750635 /nfs/dbraw/zinc/75/06/35/1086750635.db2.gz IRIMPTAYNVUMDD-AWEZNQCLSA-N 1 0 357.416 4.255 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2nc(-c3ccccc3)no2)cc1C ZINC000019939086 1089607722 /nfs/dbraw/zinc/60/77/22/1089607722.db2.gz QXZOJZGNHBRCQO-UHFFFAOYSA-N 1 0 373.460 4.076 50 0 FIAARO Cc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000257188739 1090315651 /nfs/dbraw/zinc/31/56/51/1090315651.db2.gz NADLVFCDAMXMFV-OAQYLSRUSA-N 1 0 357.542 4.039 50 0 FIAARO CC1(C)CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[C@@H]1[NH3+] ZINC000262004726 1101898186 /nfs/dbraw/zinc/89/81/86/1101898186.db2.gz NRRIGKQXQLRSMR-HNNXBMFYSA-N 1 0 355.309 4.001 50 0 FIAARO CC(C)[N@@H+]1CCC[C@H](COc2ccccc2C(=O)N2CCC(C)CC2)C1 ZINC000169765015 1115681547 /nfs/dbraw/zinc/68/15/47/1115681547.db2.gz MWEXHPCZDATREM-IBGZPJMESA-N 1 0 358.526 4.058 50 0 FIAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2cc(C(F)(F)F)ccc2c1=O ZINC000032553342 1117925406 /nfs/dbraw/zinc/92/54/06/1117925406.db2.gz JNPYCLQQPUKOIO-HNNXBMFYSA-N 1 0 367.415 4.068 50 0 FIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@@H+](C1CCCCC1)C2 ZINC000011720598 1121307880 /nfs/dbraw/zinc/30/78/80/1121307880.db2.gz VYBZBRVOTRHHCS-OAQYLSRUSA-N 1 0 362.464 4.112 50 0 FIAARO CC(C)n1ncc2cc(C[NH+]3CCC(Oc4ccccc4)CC3)cnc21 ZINC000154971394 1122990784 /nfs/dbraw/zinc/99/07/84/1122990784.db2.gz SVQFVHKEFDQEDT-UHFFFAOYSA-N 1 0 350.466 4.056 50 0 FIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1 ZINC000011759276 1125063742 /nfs/dbraw/zinc/06/37/42/1125063742.db2.gz YCUQGEPYHHLJRS-QZJRPVIESA-N 1 0 367.489 4.135 50 0 FIAARO OC1(c2ccc(Br)cc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000000757539 203948157 /nfs/dbraw/zinc/94/81/57/203948157.db2.gz FBWUDCAURFFMLD-UHFFFAOYSA-N 1 0 374.322 4.365 50 0 FIAARO CC[n+]1cccc([C@H]2CCCCN2C(=O)c2ccccc2Br)c1 ZINC000002332159 204034359 /nfs/dbraw/zinc/03/43/59/204034359.db2.gz MVNOLAJGICWLSV-GOSISDBHSA-N 1 0 374.302 4.124 50 0 FIAARO Cc1c(Cl)ccc2c(C(=O)NCC[NH+](C)C)cc(-c3ccccc3)nc12 ZINC000002867553 204065165 /nfs/dbraw/zinc/06/51/65/204065165.db2.gz MRRUYWXOHURUBB-UHFFFAOYSA-N 1 0 367.880 4.155 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccccn2)c1 ZINC000003008243 204072955 /nfs/dbraw/zinc/07/29/55/204072955.db2.gz KLWDHPPCMPMJOA-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO C[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000003205130 204081706 /nfs/dbraw/zinc/08/17/06/204081706.db2.gz BJUZJRDGGZMYBB-JOCHJYFZSA-N 1 0 353.506 4.418 50 0 FIAARO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000002662641 204050847 /nfs/dbraw/zinc/05/08/47/204050847.db2.gz BYAMWNBPPCGXMO-NRFANRHFSA-N 1 0 357.881 4.007 50 0 FIAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c3ccccc23)cc1OC ZINC000002738925 204054463 /nfs/dbraw/zinc/05/44/63/204054463.db2.gz WOIXDRHTVBKMJM-UHFFFAOYSA-N 1 0 351.446 4.198 50 0 FIAARO OCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000002845618 204061842 /nfs/dbraw/zinc/06/18/42/204061842.db2.gz IIOHJGGALQAFAB-UHFFFAOYSA-N 1 0 360.668 4.308 50 0 FIAARO O=C(c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000003901855 204114011 /nfs/dbraw/zinc/11/40/11/204114011.db2.gz OEKWFEXLVMTFGD-ZCYQVOJMSA-N 1 0 371.480 4.279 50 0 FIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Br ZINC000003904924 204114102 /nfs/dbraw/zinc/11/41/02/204114102.db2.gz NTTBMJIADQIFRG-MGPQQGTHSA-N 1 0 354.288 4.257 50 0 FIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Br)cc1 ZINC000003904941 204114307 /nfs/dbraw/zinc/11/43/07/204114307.db2.gz JPIQNXLYUCFYCE-MGPQQGTHSA-N 1 0 354.288 4.257 50 0 FIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Br)cc1 ZINC000003904939 204114498 /nfs/dbraw/zinc/11/44/98/204114498.db2.gz JPIQNXLYUCFYCE-HZSPNIEDSA-N 1 0 354.288 4.257 50 0 FIAARO CC(C)(CO)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000004019292 204117783 /nfs/dbraw/zinc/11/77/83/204117783.db2.gz SOYRVGGWGKSMDE-UHFFFAOYSA-N 1 0 354.277 4.433 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000003331085 204092611 /nfs/dbraw/zinc/09/26/11/204092611.db2.gz PNETWOCRUSFOJR-IBGZPJMESA-N 1 0 364.445 4.008 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000004725578 204159642 /nfs/dbraw/zinc/15/96/42/204159642.db2.gz INRBYXBJVMBFPK-MRXNPFEDSA-N 1 0 356.897 4.429 50 0 FIAARO C[NH+](C)Cc1ccc([C@]2(c3ccccc3)O[C@@](C)(O)c3ccccc32)cc1 ZINC000004797741 204164113 /nfs/dbraw/zinc/16/41/13/204164113.db2.gz BGUFLAMMGLHEGY-RPWUZVMVSA-N 1 0 359.469 4.235 50 0 FIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2)N3)C1 ZINC000004554021 204146884 /nfs/dbraw/zinc/14/68/84/204146884.db2.gz XTRMRGJJTCELAK-XZVRFQMRSA-N 1 0 353.491 4.284 50 0 FIAARO C[NH+](C)CCCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000005047968 204188542 /nfs/dbraw/zinc/18/85/42/204188542.db2.gz SQUCEFGGMICCEC-UHFFFAOYSA-N 1 0 357.523 4.083 50 0 FIAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)o1 ZINC000005093359 204191592 /nfs/dbraw/zinc/19/15/92/204191592.db2.gz XZJYJFJKCKOSNZ-IBGZPJMESA-N 1 0 365.477 4.332 50 0 FIAARO Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1CC[NH+]1CCCCC1 ZINC000005274145 204200742 /nfs/dbraw/zinc/20/07/42/204200742.db2.gz JCKJOZVFRUEUQJ-BUHFOSPRSA-N 1 0 374.488 4.307 50 0 FIAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000005272362 204201002 /nfs/dbraw/zinc/20/10/02/204201002.db2.gz DZQWGLDYIOCSLT-HIGJEIRPSA-N 1 0 359.510 4.407 50 0 FIAARO CCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 ZINC000006024468 204234470 /nfs/dbraw/zinc/23/44/70/204234470.db2.gz JVLLOMUIUUFBJT-UHFFFAOYSA-O 1 0 354.282 4.102 50 0 FIAARO O=c1cc(NC2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2o1 ZINC000006222594 204240928 /nfs/dbraw/zinc/24/09/28/204240928.db2.gz FIRKPDSIWCEKFV-RMKNXTFCSA-N 1 0 360.457 4.383 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000006602043 204256094 /nfs/dbraw/zinc/25/60/94/204256094.db2.gz DUFFAVQEXYFQJH-GOSISDBHSA-N 1 0 372.559 4.198 50 0 FIAARO Cc1c(C)n(C)c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc12 ZINC000006912108 204281469 /nfs/dbraw/zinc/28/14/69/204281469.db2.gz VVXZZTSHRNFOGZ-UHFFFAOYSA-N 1 0 355.526 4.180 50 0 FIAARO CCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)ccc21 ZINC000006912724 204281629 /nfs/dbraw/zinc/28/16/29/204281629.db2.gz GDBUVZSNODBIPU-MRXNPFEDSA-N 1 0 355.526 4.272 50 0 FIAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007142605 204290965 /nfs/dbraw/zinc/29/09/65/204290965.db2.gz SWKDFCZDSZXFTR-AWEZNQCLSA-N 1 0 365.458 4.041 50 0 FIAARO O=C(CCC(=O)c1cccs1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447492 204297738 /nfs/dbraw/zinc/29/77/38/204297738.db2.gz WBFXICGKDBAJCZ-UHFFFAOYSA-N 1 0 370.518 4.013 50 0 FIAARO CCC[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)CC1CC1 ZINC000006787562 204270934 /nfs/dbraw/zinc/27/09/34/204270934.db2.gz QFYRLQIDLLADRC-JOCHJYFZSA-N 1 0 353.506 4.276 50 0 FIAARO COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)c(OC)c1 ZINC000007741256 204305762 /nfs/dbraw/zinc/30/57/62/204305762.db2.gz SOCDFAPAEBLULB-GOSISDBHSA-N 1 0 365.433 4.091 50 0 FIAARO Cc1cc(Cl)ccc1OCCCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007770971 204306544 /nfs/dbraw/zinc/30/65/44/204306544.db2.gz WORQMGPAEJYPHM-UHFFFAOYSA-N 1 0 366.933 4.233 50 0 FIAARO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000008128523 204319572 /nfs/dbraw/zinc/31/95/72/204319572.db2.gz ILZQFIRBSPZDLY-GFCCVEGCSA-N 1 0 358.290 4.118 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000008351541 204328251 /nfs/dbraw/zinc/32/82/51/204328251.db2.gz FKVVMUZIFHEEOU-MRXNPFEDSA-N 1 0 351.494 4.107 50 0 FIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc21 ZINC000008462958 204332005 /nfs/dbraw/zinc/33/20/05/204332005.db2.gz IFKJVJZEQLROJF-UHFFFAOYSA-N 1 0 350.441 4.437 50 0 FIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1cccs1 ZINC000008470599 204332216 /nfs/dbraw/zinc/33/22/16/204332216.db2.gz OPKCURUFXHLWPB-AWEZNQCLSA-N 1 0 367.898 4.258 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000008709507 204340227 /nfs/dbraw/zinc/34/02/27/204340227.db2.gz RUSDDNLWWJTBFF-FGZHOGPDSA-N 1 0 366.505 4.442 50 0 FIAARO O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007443169 204298650 /nfs/dbraw/zinc/29/86/50/204298650.db2.gz YLUJEXGWJSLLJP-LJQANCHMSA-N 1 0 369.534 4.120 50 0 FIAARO C[C@@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 ZINC000009217520 204358315 /nfs/dbraw/zinc/35/83/15/204358315.db2.gz WKQWMPWHPGUAJV-QGZVFWFLSA-N 1 0 358.445 4.437 50 0 FIAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000009942087 204387299 /nfs/dbraw/zinc/38/72/99/204387299.db2.gz NASFBDBXLHJPFG-UHFFFAOYSA-N 1 0 366.465 4.278 50 0 FIAARO Cc1noc(C(C)C)c1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000012989443 204516428 /nfs/dbraw/zinc/51/64/28/204516428.db2.gz JIVDZVWWZJTOHW-UHFFFAOYSA-N 1 0 369.509 4.268 50 0 FIAARO CCCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731393 204549924 /nfs/dbraw/zinc/54/99/24/204549924.db2.gz JWMXRNKUCRAQIT-UHFFFAOYSA-N 1 0 370.493 4.301 50 0 FIAARO CCCC[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440534 204723452 /nfs/dbraw/zinc/72/34/52/204723452.db2.gz LEFOMAHNBPZNFB-XZOQPEGZSA-N 1 0 353.506 4.180 50 0 FIAARO CCc1ccccc1NC(=O)N1CCC(C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718199 204758820 /nfs/dbraw/zinc/75/88/20/204758820.db2.gz BADZPANXWREVJT-HDICACEKSA-N 1 0 357.542 4.471 50 0 FIAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296786 204880094 /nfs/dbraw/zinc/88/00/94/204880094.db2.gz PDBDDHQOGOEVIT-MRXNPFEDSA-N 1 0 360.929 4.457 50 0 FIAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1 ZINC000036098634 205004687 /nfs/dbraw/zinc/00/46/87/205004687.db2.gz BLYGRYCJGNHGCS-QFIPXVFZSA-N 1 0 365.473 4.168 50 0 FIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)c1 ZINC000036100699 205004933 /nfs/dbraw/zinc/00/49/33/205004933.db2.gz YLPYUSHKWUUESV-QHCPKHFHSA-N 1 0 355.522 4.421 50 0 FIAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2)c1 ZINC000036098632 205005439 /nfs/dbraw/zinc/00/54/39/205005439.db2.gz RASKYQSHFYVESF-HXUWFJFHSA-N 1 0 351.446 4.030 50 0 FIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)CC(C)C ZINC000036099639 205005556 /nfs/dbraw/zinc/00/55/56/205005556.db2.gz KBKPEVVYGJGTDN-LJQANCHMSA-N 1 0 363.448 4.171 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000036104410 205006053 /nfs/dbraw/zinc/00/60/53/205006053.db2.gz BLUVAJPTQVXHIG-QHCPKHFHSA-N 1 0 361.485 4.437 50 0 FIAARO Cc1ccccc1C[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000069779127 204987666 /nfs/dbraw/zinc/98/76/66/204987666.db2.gz XWYSQRFIJZNOFD-QFIPXVFZSA-N 1 0 354.538 4.388 50 0 FIAARO CCc1ccc(-c2cc(C(F)(F)F)nc(NC3CC[NH+](C)CC3)n2)cc1 ZINC000036613928 205017200 /nfs/dbraw/zinc/01/72/00/205017200.db2.gz QQGYJJOUOHCLMH-UHFFFAOYSA-N 1 0 364.415 4.231 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000036692884 205019954 /nfs/dbraw/zinc/01/99/54/205019954.db2.gz BOKYVDOWQVRBRG-QGZVFWFLSA-N 1 0 362.420 4.101 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(C)n1 ZINC000042881761 205098139 /nfs/dbraw/zinc/09/81/39/205098139.db2.gz OWAXJXKAJGAQOB-QGZVFWFLSA-N 1 0 367.472 4.120 50 0 FIAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044933028 205114544 /nfs/dbraw/zinc/11/45/44/205114544.db2.gz RKHGVYHCABFHAI-QFIPXVFZSA-N 1 0 366.480 4.232 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CC)c2ccccc2)cc1 ZINC000048324399 205157764 /nfs/dbraw/zinc/15/77/64/205157764.db2.gz SVBZKTQCTJDJAI-OAQYLSRUSA-N 1 0 352.478 4.275 50 0 FIAARO COc1ccc(C)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050036430 205176271 /nfs/dbraw/zinc/17/62/71/205176271.db2.gz NDVISMBRGBXLTF-MRXNPFEDSA-N 1 0 373.522 4.099 50 0 FIAARO c1coc(-c2cc(C3CC[NH+](C[C@@H]4CCCN5CCCC[C@H]45)CC3)[nH]n2)c1 ZINC000055245067 205211422 /nfs/dbraw/zinc/21/14/22/205211422.db2.gz BQHLVWVESIQTMY-GHTZIAJQSA-N 1 0 368.525 4.114 50 0 FIAARO CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000055360055 205216064 /nfs/dbraw/zinc/21/60/64/205216064.db2.gz JOYVVIQVBVVFDF-SFHVURJKSA-N 1 0 369.440 4.474 50 0 FIAARO CCOC(=O)c1c(C2CC2)csc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057322909 205236267 /nfs/dbraw/zinc/23/62/67/205236267.db2.gz CESVJSFVEKBZJB-CYBMUJFWSA-N 1 0 372.490 4.092 50 0 FIAARO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000057383486 205238246 /nfs/dbraw/zinc/23/82/46/205238246.db2.gz LTNUFKMUXOUMMM-HXUWFJFHSA-N 1 0 373.884 4.224 50 0 FIAARO Cc1cc(C)c(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c(C)c1CO ZINC000055386258 205217981 /nfs/dbraw/zinc/21/79/81/205217981.db2.gz LNHYWTRTIRWVMJ-UHFFFAOYSA-N 1 0 367.468 4.265 50 0 FIAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058159834 205252669 /nfs/dbraw/zinc/25/26/69/205252669.db2.gz NBJDJHUVNQKGSZ-UXLLHSPISA-N 1 0 357.498 4.222 50 0 FIAARO COc1cccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)c1OC ZINC000058175132 205254238 /nfs/dbraw/zinc/25/42/38/205254238.db2.gz BGTZSZXVTBLPBP-UHFFFAOYSA-N 1 0 368.408 4.320 50 0 FIAARO Cc1cccc(N2CC[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)C[C@@H]2C)c1 ZINC000058090679 205248659 /nfs/dbraw/zinc/24/86/59/205248659.db2.gz LIRBXIRXDPHRSE-SFHVURJKSA-N 1 0 362.473 4.121 50 0 FIAARO Cc1noc(C)c1C[N@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000059363488 205281446 /nfs/dbraw/zinc/28/14/46/205281446.db2.gz PYMWBZBDAUFPPC-QGZVFWFLSA-N 1 0 365.518 4.149 50 0 FIAARO COc1ccc(C[NH2+]Cc2cccnc2N2CCCCCCC2)cc1F ZINC000014977467 205281488 /nfs/dbraw/zinc/28/14/88/205281488.db2.gz AVGNLFKBNGJIEP-UHFFFAOYSA-N 1 0 357.473 4.290 50 0 FIAARO Cc1cc(C)cc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c1 ZINC000064761138 205304446 /nfs/dbraw/zinc/30/44/46/205304446.db2.gz NIOFANOJOJNKJG-UHFFFAOYSA-N 1 0 362.477 4.001 50 0 FIAARO C[C@H](CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000060156259 205284504 /nfs/dbraw/zinc/28/45/04/205284504.db2.gz VMEDIUXAECSOTF-CVEARBPZSA-N 1 0 370.459 4.436 50 0 FIAARO COc1ccccc1-c1ccccc1C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000062580870 205291230 /nfs/dbraw/zinc/29/12/30/205291230.db2.gz DAORJMZJSUTWQX-OAQYLSRUSA-N 1 0 366.505 4.212 50 0 FIAARO C[N@@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2cccc(F)c2F)C1 ZINC000065506113 205356526 /nfs/dbraw/zinc/35/65/26/205356526.db2.gz RUSJVLZHPAPAHX-HNNXBMFYSA-N 1 0 353.416 4.447 50 0 FIAARO CSc1ccccc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000065364714 205340329 /nfs/dbraw/zinc/34/03/29/205340329.db2.gz KUJYRTHGSWKGLF-UHFFFAOYSA-N 1 0 356.491 4.134 50 0 FIAARO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccnc(-c3cc4ccccc4o3)c2)C1 ZINC000065383965 205344065 /nfs/dbraw/zinc/34/40/65/205344065.db2.gz LVXFRVXIXCXBND-SFHVURJKSA-N 1 0 358.445 4.218 50 0 FIAARO Cn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1C1CC[NH+](C)CC1 ZINC000065394419 205345373 /nfs/dbraw/zinc/34/53/73/205345373.db2.gz LBDDCSINVQDXDB-UHFFFAOYSA-N 1 0 371.488 4.371 50 0 FIAARO c1nc(-c2ccccc2)c(-c2ccncc2)n1[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000065408733 205347853 /nfs/dbraw/zinc/34/78/53/205347853.db2.gz IYSSOPAQCDXBOL-SFTDATJTSA-N 1 0 374.488 4.038 50 0 FIAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc2c(c1)OCCO2 ZINC000067605626 205377322 /nfs/dbraw/zinc/37/73/22/205377322.db2.gz JBFWWTDBUFHAOJ-UHFFFAOYSA-N 1 0 355.434 4.245 50 0 FIAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CO)C3)c(C)o2)c2ccccc12 ZINC000067641731 205378519 /nfs/dbraw/zinc/37/85/19/205378519.db2.gz BWZLCBIUPWXDEZ-MRXNPFEDSA-N 1 0 366.461 4.016 50 0 FIAARO COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1C[NH+]1CCCC1 ZINC000067834373 205395672 /nfs/dbraw/zinc/39/56/72/205395672.db2.gz WFIJQFLSFURERM-UHFFFAOYSA-N 1 0 352.356 4.497 50 0 FIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732317 220163337 /nfs/dbraw/zinc/16/33/37/220163337.db2.gz VTFWETRDFSPFQK-UHFFFAOYSA-N 1 0 367.518 4.298 50 0 FIAARO Oc1ccc(C2=CC[N@H+](C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000089813217 205666529 /nfs/dbraw/zinc/66/65/29/205666529.db2.gz RTMMJPZGBKRMEO-IBGZPJMESA-N 1 0 363.379 4.234 50 0 FIAARO O=C(NCC[C@@H]1CCC[NH2+]1)c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000091859739 205699566 /nfs/dbraw/zinc/69/95/66/205699566.db2.gz YADDUUAADFSXRS-ZDUSSCGKSA-N 1 0 369.852 4.020 50 0 FIAARO O=C(c1cc(F)cc(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095379674 205744596 /nfs/dbraw/zinc/74/45/96/205744596.db2.gz RCRDTZPMGOVBQG-OXQOHEQNSA-N 1 0 372.871 4.216 50 0 FIAARO c1ccc(C[N@H+]2CCCC[C@@H]2CCNc2nccc(-c3ccccn3)n2)cc1 ZINC000096137625 205830886 /nfs/dbraw/zinc/83/08/86/205830886.db2.gz BJXVAVATBJPTIW-HXUWFJFHSA-N 1 0 373.504 4.395 50 0 FIAARO Cc1ccnc(-n2nc(C3(c4ccccc4)CC3)nc2[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000097528921 205912626 /nfs/dbraw/zinc/91/26/26/205912626.db2.gz XLDFFFTUZOWXKK-MJGOQNOKSA-N 1 0 373.504 4.036 50 0 FIAARO C[NH+](C)Cc1ccccc1NC(=O)CCc1ccccc1Br ZINC000048362751 206084902 /nfs/dbraw/zinc/08/49/02/206084902.db2.gz SMWFUEPAKVDPOB-UHFFFAOYSA-N 1 0 361.283 4.082 50 0 FIAARO C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000248327961 206128469 /nfs/dbraw/zinc/12/84/69/206128469.db2.gz BAGPJGSPOHTGMQ-HFBDOXOYSA-N 1 0 355.385 4.159 50 0 FIAARO [NH3+]CCCCCC(=O)Oc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O ZINC000002103614 206152186 /nfs/dbraw/zinc/15/21/86/206152186.db2.gz QIVCLCXDGOYOTA-UHFFFAOYSA-N 1 0 369.392 4.024 50 0 biogenic FIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)CCc3ccccc3)sc2c1 ZINC000004359113 206174934 /nfs/dbraw/zinc/17/49/34/206174934.db2.gz OMSNFXHTFFUSTR-UHFFFAOYSA-N 1 0 367.518 4.132 50 0 FIAARO COc1cccc(OC)c1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624455 206203970 /nfs/dbraw/zinc/20/39/70/206203970.db2.gz RMEWMSSUXAZHPS-SFHVURJKSA-N 1 0 356.466 4.095 50 0 biogenic FIAARO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1cccs1 ZINC000008728576 206217533 /nfs/dbraw/zinc/21/75/33/206217533.db2.gz WNPCJPOASVJAQL-GFCCVEGCSA-N 1 0 356.413 4.316 50 0 FIAARO O=C(C[C@H]1CCOc2ccccc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153939585 206220270 /nfs/dbraw/zinc/22/02/70/206220270.db2.gz UAWKPOXIXGJBEQ-HXUWFJFHSA-N 1 0 370.537 4.057 50 0 FIAARO Cc1nc2sc([C@@H](c3cccc(C)c3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000102879061 206231049 /nfs/dbraw/zinc/23/10/49/206231049.db2.gz YKSSBHDJIUVGOV-CKEIUWERSA-N 1 0 370.522 4.181 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000107491572 206314962 /nfs/dbraw/zinc/31/49/62/206314962.db2.gz NIWMPJLGBVVWCV-AAEUAGOBSA-N 1 0 361.338 4.075 50 0 FIAARO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2nccn2C)c2ccccc2F)C1(C)C ZINC000195543923 206332015 /nfs/dbraw/zinc/33/20/15/206332015.db2.gz GEYYXHYCGBGAQJ-BPQIPLTHSA-N 1 0 355.457 4.003 50 0 FIAARO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21 ZINC000022474537 206377703 /nfs/dbraw/zinc/37/77/03/206377703.db2.gz NFESBHPUDKZABY-OAQYLSRUSA-N 1 0 362.473 4.072 50 0 FIAARO Cn1nccc1C1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000225527433 206484364 /nfs/dbraw/zinc/48/43/64/206484364.db2.gz NXUGWDFHQXQTBD-UHFFFAOYSA-N 1 0 356.857 4.108 50 0 FIAARO CCCc1nc(C)cc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)n1 ZINC000095523797 132214371 /nfs/dbraw/zinc/21/43/71/132214371.db2.gz VFDCXKDMVZUPLN-UHFFFAOYSA-N 1 0 372.944 4.192 50 0 FIAARO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 ZINC000219028978 132273640 /nfs/dbraw/zinc/27/36/40/132273640.db2.gz MHKKPCCOWIGPNI-UHFFFAOYSA-N 1 0 357.457 4.019 50 0 FIAARO c1nc2sc3c(c2c(N2CC[NH+](C4CCCCC4)CC2)n1)CCCC3 ZINC000001506845 132382182 /nfs/dbraw/zinc/38/21/82/132382182.db2.gz BLPHONBQJHCJRO-UHFFFAOYSA-N 1 0 356.539 4.025 50 0 FIAARO OC[C@@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000063856289 136133094 /nfs/dbraw/zinc/13/30/94/136133094.db2.gz DDFDLRFHPWWHSM-GOSISDBHSA-N 1 0 368.496 4.166 50 0 FIAARO C[N@H+](CCc1cn[nH]c1)C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023479107 136152975 /nfs/dbraw/zinc/15/29/75/136152975.db2.gz CGMZWBSIWRXUIM-UHFFFAOYSA-N 1 0 360.505 4.220 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)o1 ZINC000252444164 525339273 /nfs/dbraw/zinc/33/92/73/525339273.db2.gz HPICLOFKJZZLCS-IIPCHUTBSA-N 1 0 369.505 4.290 50 0 FIAARO COc1cccc(-c2cccc(C(=O)N3CCC([C@@H](C)[NH+](C)C)CC3)c2)c1 ZINC000091695582 525712876 /nfs/dbraw/zinc/71/28/76/525712876.db2.gz MZKFGHQELVJWIZ-QGZVFWFLSA-N 1 0 366.505 4.165 50 0 FIAARO Cc1nc(C(C)C)sc1C(=O)NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000091425032 526676067 /nfs/dbraw/zinc/67/60/67/526676067.db2.gz FWLRQLISZUNZIF-GOSISDBHSA-N 1 0 371.550 4.184 50 0 FIAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000019789883 526750972 /nfs/dbraw/zinc/75/09/72/526750972.db2.gz SPJGISMCBUWCBS-QGZVFWFLSA-N 1 0 356.495 4.353 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082137396 527502246 /nfs/dbraw/zinc/50/22/46/527502246.db2.gz QOKPEIZQQAGTGG-SFHVURJKSA-N 1 0 352.507 4.076 50 0 FIAARO CC[NH+](CC)Cc1ccccc1NCC(=O)N1c2ccccc2CC[C@H]1C ZINC000059803379 535612851 /nfs/dbraw/zinc/61/28/51/535612851.db2.gz VXXPUEFIWRVCBE-GOSISDBHSA-N 1 0 365.521 4.308 50 0 FIAARO COc1cccc(-c2cccc(N3CCC([NH2+][C@H]4CCCOC4)CC3)c2)c1 ZINC000023541822 537065731 /nfs/dbraw/zinc/06/57/31/537065731.db2.gz OZOCLOGNRNUXDQ-NRFANRHFSA-N 1 0 366.505 4.100 50 0 FIAARO Cc1ccc([C@H](NC(=O)C2([NH+]3CCCC3)CCCC2)c2ccncc2)cc1 ZINC000215231945 568059266 /nfs/dbraw/zinc/05/92/66/568059266.db2.gz YCTFBJJDRUVALX-NRFANRHFSA-N 1 0 363.505 4.004 50 0 FIAARO CC(C)NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000819267 568297097 /nfs/dbraw/zinc/29/70/97/568297097.db2.gz LPYIPWOSKKAZNS-UHFFFAOYSA-N 1 0 366.505 4.002 50 0 FIAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000000819303 568297199 /nfs/dbraw/zinc/29/71/99/568297199.db2.gz SMTJULKZAXWLGY-HNNXBMFYSA-N 1 0 368.443 4.176 50 0 FIAARO O=C(NC1CCCCCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071402 568456629 /nfs/dbraw/zinc/45/66/29/568456629.db2.gz JEMLJBBWRCUICF-CQSZACIVSA-N 1 0 374.916 4.272 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3C)cc2C)CC1 ZINC000033239047 568471433 /nfs/dbraw/zinc/47/14/33/568471433.db2.gz NNQYFLSGUIQHQS-UHFFFAOYSA-N 1 0 351.494 4.006 50 0 FIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000091780617 570438352 /nfs/dbraw/zinc/43/83/52/570438352.db2.gz BBSBWTRFJMOMAL-MRXNPFEDSA-N 1 0 362.395 4.238 50 0 FIAARO O[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1cccc2ccccc21 ZINC000000623833 570439210 /nfs/dbraw/zinc/43/92/10/570439210.db2.gz POQKFFNMUPZZRK-IBGZPJMESA-N 1 0 353.445 4.296 50 0 FIAARO CC(=O)c1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000091808414 570439623 /nfs/dbraw/zinc/43/96/23/570439623.db2.gz KIHSJOAPRCEIAC-AZUAARDMSA-N 1 0 354.519 4.047 50 0 FIAARO COc1ccc([C@@H](O)c2c(C[NH+]3CCCCC3)c3ccccc3n2C)cc1 ZINC000000633502 570441208 /nfs/dbraw/zinc/44/12/08/570441208.db2.gz JUKLUPWONNDHHO-HSZRJFAPSA-N 1 0 364.489 4.255 50 0 FIAARO CCN1C[C@@]2(CCC[N@H+](Cc3cc(F)ccc3C(F)(F)F)C2)CCC1=O ZINC000091908354 570442610 /nfs/dbraw/zinc/44/26/10/570442610.db2.gz HQQGDEIBJVFJTN-SFHVURJKSA-N 1 0 372.406 4.069 50 0 FIAARO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000000643032 570443122 /nfs/dbraw/zinc/44/31/22/570443122.db2.gz VQLPLYSROCPWFF-QZTJIDSGSA-N 1 0 369.336 4.401 50 0 investigational FIAARO CC[NH+]1CCC(CC(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 ZINC000095357885 570453318 /nfs/dbraw/zinc/45/33/18/570453318.db2.gz LSAQSCBALDHVSX-QHCPKHFHSA-N 1 0 365.521 4.026 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)cc1F ZINC000095363863 570454583 /nfs/dbraw/zinc/45/45/83/570454583.db2.gz COKAMRRKPWZAHU-HXUWFJFHSA-N 1 0 366.480 4.115 50 0 FIAARO Cc1nc([C@H](C)N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)s1 ZINC000095373218 570456749 /nfs/dbraw/zinc/45/67/49/570456749.db2.gz WCWUFCQPAKIKJN-AWEZNQCLSA-N 1 0 357.523 4.189 50 0 FIAARO CC(C)[NH+]1CCC(C(=O)N[C@H](c2ccncc2)c2ccc(Cl)cc2)CC1 ZINC000095382406 570458954 /nfs/dbraw/zinc/45/89/54/570458954.db2.gz WEJKUXHGSRMALF-FQEVSTJZSA-N 1 0 371.912 4.061 50 0 FIAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383208 570459758 /nfs/dbraw/zinc/45/97/58/570459758.db2.gz AZKDBUJXKKYHPD-HXUWFJFHSA-N 1 0 363.509 4.249 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303148 570461405 /nfs/dbraw/zinc/46/14/05/570461405.db2.gz RXAFXGBWGRWNEC-GOSISDBHSA-N 1 0 371.912 4.166 50 0 FIAARO CCc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)on1 ZINC000095508836 570464997 /nfs/dbraw/zinc/46/49/97/570464997.db2.gz MODHPCMQXXERQM-INIZCTEOSA-N 1 0 373.472 4.315 50 0 FIAARO CCCCc1nc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)c[nH]1 ZINC000095517073 570466477 /nfs/dbraw/zinc/46/64/77/570466477.db2.gz IDHUIVJDSRWMFA-HXUWFJFHSA-N 1 0 366.553 4.206 50 0 FIAARO Clc1ccc2nc(N3CCC([NH2+][C@@H]4CCSC4)CC3)sc2c1 ZINC000095523800 570468065 /nfs/dbraw/zinc/46/80/65/570468065.db2.gz DMLMPZWWOYVYKU-CYBMUJFWSA-N 1 0 353.944 4.014 50 0 FIAARO CC1(C)Cc2cc(C[NH+]3CCC(Cc4noc(C5CC5)n4)CC3)ccc2O1 ZINC000097098913 570484185 /nfs/dbraw/zinc/48/41/85/570484185.db2.gz WGUJNJBXPPSYQC-UHFFFAOYSA-N 1 0 367.493 4.115 50 0 FIAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000097402351 570486906 /nfs/dbraw/zinc/48/69/06/570486906.db2.gz MUPNUESJHSMNOC-JOCHJYFZSA-N 1 0 363.505 4.041 50 0 FIAARO CN(Cc1cc(-c2ccccn2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000097360096 570486926 /nfs/dbraw/zinc/48/69/26/570486926.db2.gz ZMUPMFGPCOFQGD-UHFFFAOYSA-N 1 0 368.506 4.026 50 0 FIAARO CCC(=O)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697989 570530896 /nfs/dbraw/zinc/53/08/96/570530896.db2.gz DHCXPAPOOUJFQZ-FUHWJXTLSA-N 1 0 368.443 4.143 50 0 FIAARO CCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1Br ZINC000002989251 570548205 /nfs/dbraw/zinc/54/82/05/570548205.db2.gz IGUJMMUHKHOLFA-OAHLLOKOSA-N 1 0 358.320 4.091 50 0 FIAARO C[NH+](C)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000004950721 570566412 /nfs/dbraw/zinc/56/64/12/570566412.db2.gz AGLFJWNOCJBJBU-UHFFFAOYSA-N 1 0 354.390 4.443 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)cc1)c1ccccc1Cl ZINC000011916189 570600484 /nfs/dbraw/zinc/60/04/84/570600484.db2.gz YBQVWFOOICKUIV-LJQANCHMSA-N 1 0 360.885 4.162 50 0 biogenic FIAARO Cc1nc(N2CCCC2)ccc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C ZINC000252482811 570622137 /nfs/dbraw/zinc/62/21/37/570622137.db2.gz DOGHVHUUSFEYJE-CQSZACIVSA-N 1 0 370.419 4.185 50 0 FIAARO CC[NH+](CC)CCc1ccc(NC(=O)Nc2cccc(NC(C)=O)c2)cc1 ZINC000252507514 570623486 /nfs/dbraw/zinc/62/34/86/570623486.db2.gz WNOCCQFTASHXBX-UHFFFAOYSA-N 1 0 368.481 4.173 50 0 FIAARO CN(Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667112 570705142 /nfs/dbraw/zinc/70/51/42/570705142.db2.gz OBIVEVRZSWHAQJ-HXUWFJFHSA-N 1 0 357.929 4.122 50 0 FIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cccc(Cl)c2)C1 ZINC000011816466 570707584 /nfs/dbraw/zinc/70/75/84/570707584.db2.gz YVBJKEBHUCWAFP-IBGZPJMESA-N 1 0 370.924 4.367 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H]3CCOC3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817897 570707659 /nfs/dbraw/zinc/70/76/59/570707659.db2.gz UCDSLLFODSJINU-JOCHJYFZSA-N 1 0 361.489 4.377 50 0 FIAARO COc1cc(C)c(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc1C ZINC000011821477 570708581 /nfs/dbraw/zinc/70/85/81/570708581.db2.gz CCPAKPMBEXKGJV-IBGZPJMESA-N 1 0 362.477 4.060 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)ccc1O ZINC000011874348 570710675 /nfs/dbraw/zinc/71/06/75/570710675.db2.gz LVZXFBHASXXBCR-KRWDZBQOSA-N 1 0 371.502 4.218 50 0 FIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1)NC1CC1 ZINC000011874206 570710860 /nfs/dbraw/zinc/71/08/60/570710860.db2.gz VDLHTZXHHXHXSX-QGZVFWFLSA-N 1 0 352.478 4.217 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Nc2ccccc2)C1 ZINC000012025232 570714560 /nfs/dbraw/zinc/71/45/60/570714560.db2.gz PYCKLENGKUBFEW-HXUWFJFHSA-N 1 0 365.521 4.413 50 0 FIAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)c1 ZINC000012050179 570715063 /nfs/dbraw/zinc/71/50/63/570715063.db2.gz UZKLZDBSYPDQGN-LJQANCHMSA-N 1 0 353.462 4.113 50 0 FIAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000012194601 570726208 /nfs/dbraw/zinc/72/62/08/570726208.db2.gz OMIYYTZMSIBKOJ-UHFFFAOYSA-N 1 0 359.477 4.374 50 0 FIAARO Cc1oc(-c2ccco2)nc1C[N@H+](CCO)CC12CC3CC(CC(C3)C1)C2 ZINC000012208583 570728151 /nfs/dbraw/zinc/72/81/51/570728151.db2.gz HNUQKRLABHOLSL-UHFFFAOYSA-N 1 0 370.493 4.254 50 0 FIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012307414 570735406 /nfs/dbraw/zinc/73/54/06/570735406.db2.gz ZASIDJSWGGGYRP-HXUWFJFHSA-N 1 0 356.469 4.428 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](CCCSC)CC1 ZINC000012385143 570740917 /nfs/dbraw/zinc/74/09/17/570740917.db2.gz JMCMLLPRVWJJDM-UHFFFAOYSA-N 1 0 363.567 4.408 50 0 FIAARO CN(C(=O)CCCc1ccccc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012438797 570745533 /nfs/dbraw/zinc/74/55/33/570745533.db2.gz BXOBHKOWUKRQKZ-HSZRJFAPSA-N 1 0 364.533 4.175 50 0 FIAARO COCc1ccc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)o1 ZINC000012438827 570745544 /nfs/dbraw/zinc/74/55/44/570745544.db2.gz PUJAWGQTRFHIAS-QFIPXVFZSA-N 1 0 357.494 4.023 50 0 FIAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000012441785 570746084 /nfs/dbraw/zinc/74/60/84/570746084.db2.gz GMRLUCYARYAKIN-QHCPKHFHSA-N 1 0 353.506 4.291 50 0 FIAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000012446089 570746533 /nfs/dbraw/zinc/74/65/33/570746533.db2.gz KLBABEDQADAVDY-IBGZPJMESA-N 1 0 363.465 4.224 50 0 FIAARO CC(C)CCc1noc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012459225 570747501 /nfs/dbraw/zinc/74/75/01/570747501.db2.gz MTRLGKUTELNIMU-UHFFFAOYSA-N 1 0 370.541 4.002 50 0 FIAARO O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3ccccc3Cl)[N@H+]3CCC[C@@]123 ZINC000012458294 570747616 /nfs/dbraw/zinc/74/76/16/570747616.db2.gz AYVAJOSLXHDXFC-ZRCAFCQKSA-N 1 0 352.865 4.282 50 0 FIAARO O=C(C1CC1)N1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000012510957 570749000 /nfs/dbraw/zinc/74/90/00/570749000.db2.gz REPFSNZVUWPUOZ-MJGOQNOKSA-N 1 0 354.519 4.124 50 0 FIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1=CCCC1 ZINC000012574683 570751024 /nfs/dbraw/zinc/75/10/24/570751024.db2.gz HUZUPXNHLJMESX-SFHVURJKSA-N 1 0 360.929 4.163 50 0 FIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1=CCCC1 ZINC000012574690 570751031 /nfs/dbraw/zinc/75/10/31/570751031.db2.gz HUZUPXNHLJMESX-GOSISDBHSA-N 1 0 360.929 4.163 50 0 FIAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CC1=CCCCC1 ZINC000012763438 570760649 /nfs/dbraw/zinc/76/06/49/570760649.db2.gz NMDDTGKAXQEYFC-UHFFFAOYSA-N 1 0 372.528 4.429 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cnn(-c3ccccc3)c2)cc1C ZINC000013593729 570779830 /nfs/dbraw/zinc/77/98/30/570779830.db2.gz MBPRRILZKATBFW-UHFFFAOYSA-N 1 0 371.488 4.212 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000032759830 570793308 /nfs/dbraw/zinc/79/33/08/570793308.db2.gz GMTKSSGWQBQZSJ-UHFFFAOYSA-N 1 0 365.452 4.223 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000014123167 570806917 /nfs/dbraw/zinc/80/69/17/570806917.db2.gz VYLBCFLJPFNEQJ-UHFFFAOYSA-N 1 0 352.265 4.377 50 0 FIAARO C/C=C(\C)C[N@@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014884720 570825509 /nfs/dbraw/zinc/82/55/09/570825509.db2.gz BZXQELPIKNLFSU-XPLYLKDSSA-N 1 0 356.539 4.253 50 0 FIAARO CN(C(=O)c1sccc1Cl)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014958832 570826866 /nfs/dbraw/zinc/82/68/66/570826866.db2.gz VVTSADNKBDMYAR-MRXNPFEDSA-N 1 0 362.926 4.181 50 0 FIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CC2CCCCC2)CC1 ZINC000014959187 570827028 /nfs/dbraw/zinc/82/70/28/570827028.db2.gz SEPRLPKEZXWUGB-UHFFFAOYSA-N 1 0 354.494 4.291 50 0 FIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014969002 570827342 /nfs/dbraw/zinc/82/73/42/570827342.db2.gz ZOYQOTLRAIQJTR-FQEVSTJZSA-N 1 0 363.860 4.002 50 0 FIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000015073900 570831863 /nfs/dbraw/zinc/83/18/63/570831863.db2.gz YYQOXWXQSUXALR-OAQYLSRUSA-N 1 0 350.462 4.175 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C(C)=O)c(OC)c1 ZINC000015366985 570838323 /nfs/dbraw/zinc/83/83/23/570838323.db2.gz FYXZWYWDGSXVLA-HXUWFJFHSA-N 1 0 369.461 4.122 50 0 FIAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000032911521 570851144 /nfs/dbraw/zinc/85/11/44/570851144.db2.gz CNUBFSCFQZFZDW-MRXNPFEDSA-N 1 0 363.288 4.388 50 0 FIAARO Cc1cc(C)c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000017075335 570867388 /nfs/dbraw/zinc/86/73/88/570867388.db2.gz AJXFWUAPAFVOLU-UHFFFAOYSA-N 1 0 366.549 4.338 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000071946325 570877939 /nfs/dbraw/zinc/87/79/39/570877939.db2.gz NIWMPJLGBVVWCV-DGCLKSJQSA-N 1 0 361.338 4.075 50 0 FIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000019361767 570887424 /nfs/dbraw/zinc/88/74/24/570887424.db2.gz SCJUHVVPLYMLCN-YJBOKZPZSA-N 1 0 351.332 4.145 50 0 FIAARO Brc1ccccc1CN1CC[NH+](C2CCCCCC2)CC1 ZINC000019789458 570902921 /nfs/dbraw/zinc/90/29/21/570902921.db2.gz BLBJRQYKLUKBNC-UHFFFAOYSA-N 1 0 351.332 4.290 50 0 FIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000019842144 570904239 /nfs/dbraw/zinc/90/42/39/570904239.db2.gz UZQXHUBUCWXUHG-CRAIPNDOSA-N 1 0 351.332 4.145 50 0 FIAARO CN(C)CC[NH2+]CC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000020572787 570919668 /nfs/dbraw/zinc/91/96/68/570919668.db2.gz IMRVQAZSRCSPTM-LJQANCHMSA-N 1 0 372.475 4.074 50 0 FIAARO CCCC[N@H+](CC)CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574470 570920528 /nfs/dbraw/zinc/92/05/28/570920528.db2.gz VBNAMPNBECVFSL-UHFFFAOYSA-N 1 0 371.460 4.348 50 0 FIAARO Clc1ccc([C@@H](c2ccc(Br)cc2)N2CC[NH2+]CC2)cc1 ZINC000022113644 570939638 /nfs/dbraw/zinc/93/96/38/570939638.db2.gz ZEERMATYAKOGKR-QGZVFWFLSA-N 1 0 365.702 4.097 50 0 FIAARO c1ccc(N2CCN([C@H]3CCC[N@H+](C4CCCCCCC4)C3)CC2)cc1 ZINC000022851296 570951337 /nfs/dbraw/zinc/95/13/37/570951337.db2.gz CLGUQJFATLHUNH-QHCPKHFHSA-N 1 0 355.570 4.386 50 0 FIAARO CC(C)[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000023232347 570960049 /nfs/dbraw/zinc/96/00/49/570960049.db2.gz IWGNGFMSVOXHRK-AWEZNQCLSA-N 1 0 358.463 4.274 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000005741029 570967345 /nfs/dbraw/zinc/96/73/45/570967345.db2.gz SVVXTNOUPDFZGK-GOSISDBHSA-N 1 0 362.498 4.440 50 0 FIAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(OC)c1OC(F)F ZINC000025259807 570992986 /nfs/dbraw/zinc/99/29/86/570992986.db2.gz OWCSKKVTSYORBU-INIZCTEOSA-N 1 0 363.404 4.472 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccsc1 ZINC000025328922 570994054 /nfs/dbraw/zinc/99/40/54/570994054.db2.gz UZZDSJMTQKCFSR-HXUWFJFHSA-N 1 0 367.518 4.141 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662557 571016907 /nfs/dbraw/zinc/01/69/07/571016907.db2.gz PWMYBIXNPWAWPZ-LJQANCHMSA-N 1 0 372.534 4.169 50 0 FIAARO CCCCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000027663298 571017561 /nfs/dbraw/zinc/01/75/61/571017561.db2.gz LBWIPDRVNXQEMP-HXUWFJFHSA-N 1 0 358.526 4.346 50 0 FIAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027744248 571020095 /nfs/dbraw/zinc/02/00/95/571020095.db2.gz AOXPIRXPUNQORD-QFIPXVFZSA-N 1 0 366.505 4.107 50 0 FIAARO COc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027749564 571020686 /nfs/dbraw/zinc/02/06/86/571020686.db2.gz VYMTWIJEVSEEQQ-KRWDZBQOSA-N 1 0 358.507 4.104 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027793100 571021003 /nfs/dbraw/zinc/02/10/03/571021003.db2.gz PAOGETRXILQXDJ-HXUWFJFHSA-N 1 0 356.897 4.144 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296095 571030796 /nfs/dbraw/zinc/03/07/96/571030796.db2.gz WNHZSBKZLOWWEK-SFHVURJKSA-N 1 0 369.852 4.028 50 0 FIAARO O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCCCc2cccc(C(F)(F)F)c2)CN1 ZINC000225408612 571033726 /nfs/dbraw/zinc/03/37/26/571033726.db2.gz URJRLVCQLWPCSP-WMZOPIPTSA-N 1 0 368.443 4.019 50 0 FIAARO CC(=O)Nc1ccc2c(C[NH2+][C@@H](c3ccccc3)C(C)C)cc(=O)oc2c1 ZINC000029189379 571037265 /nfs/dbraw/zinc/03/72/65/571037265.db2.gz SZKFXBAZICPVTP-JOCHJYFZSA-N 1 0 364.445 4.238 50 0 FIAARO CC[NH+](CC)CCSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000001301812 571048409 /nfs/dbraw/zinc/04/84/09/571048409.db2.gz RNAVTKGXSJUHNP-UHFFFAOYSA-N 1 0 367.518 4.128 50 0 FIAARO O=c1c2ccc(Cl)cc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032533032 571058138 /nfs/dbraw/zinc/05/81/38/571058138.db2.gz FBVZRKBZDRXASV-KRWDZBQOSA-N 1 0 359.901 4.237 50 0 FIAARO CC[C@@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1cc(C)ccn1 ZINC000067955420 571062019 /nfs/dbraw/zinc/06/20/19/571062019.db2.gz CXVIBOXSDHRZAQ-GOSISDBHSA-N 1 0 359.477 4.056 50 0 FIAARO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000012746850 571066384 /nfs/dbraw/zinc/06/63/84/571066384.db2.gz CLSCXKZHJVLWNH-HSZRJFAPSA-N 1 0 369.553 4.289 50 0 FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000004725499 571072491 /nfs/dbraw/zinc/07/24/91/571072491.db2.gz RSQNWZAZSMUOOS-UHFFFAOYSA-N 1 0 356.535 4.317 50 0 FIAARO O[C@H](c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000004195778 571072523 /nfs/dbraw/zinc/07/25/23/571072523.db2.gz IUOKAJBTLLBDLO-GVAUOCQISA-N 1 0 373.496 4.130 50 0 FIAARO CC(C)[C@@H](CNC(=O)c1occc1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000040089261 571074789 /nfs/dbraw/zinc/07/47/89/571074789.db2.gz OBPNLQIODUNFAD-HXUWFJFHSA-N 1 0 354.494 4.433 50 0 FIAARO Clc1ccc(Cl)c(C=C2CC[NH+](CCCN3CCOCC3)CC2)c1 ZINC000084341447 571082802 /nfs/dbraw/zinc/08/28/02/571082802.db2.gz LHDLTQIRJWCIRI-UHFFFAOYSA-N 1 0 369.336 4.195 50 0 FIAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(NS(C)(=O)=O)cc1 ZINC000069421051 571098206 /nfs/dbraw/zinc/09/82/06/571098206.db2.gz AYLYSIZQGDAGOE-NSHDSACASA-N 1 0 373.305 4.216 50 0 FIAARO O=C(NCc1cnc2ccccc2c1)C1([NH+]2CCCCC2)CCCCC1 ZINC000244595069 571113893 /nfs/dbraw/zinc/11/38/93/571113893.db2.gz DOBWGOMIWTZUEJ-UHFFFAOYSA-N 1 0 351.494 4.040 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000244605538 571113977 /nfs/dbraw/zinc/11/39/77/571113977.db2.gz FAJWRGMNBMHLOX-LJQANCHMSA-N 1 0 360.885 4.033 50 0 FIAARO COc1ccccc1C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000244858395 571117813 /nfs/dbraw/zinc/11/78/13/571117813.db2.gz VKHRTBGWXBCVOY-UHFFFAOYSA-N 1 0 356.441 4.043 50 0 FIAARO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244898809 571119874 /nfs/dbraw/zinc/11/98/74/571119874.db2.gz ZBYVWLHLLRDAQI-MRXNPFEDSA-N 1 0 356.466 4.022 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000000934753 571130884 /nfs/dbraw/zinc/13/08/84/571130884.db2.gz ATPKFVDPYUCYCX-LJQANCHMSA-N 1 0 367.880 4.305 50 0 FIAARO CCN1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000015880161 571140775 /nfs/dbraw/zinc/14/07/75/571140775.db2.gz XDKHLSZHVFZAPG-UHFFFAOYSA-N 1 0 356.278 4.080 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012910680 571143852 /nfs/dbraw/zinc/14/38/52/571143852.db2.gz UJNDJOLDELECBW-LAUBAEHRSA-N 1 0 352.478 4.100 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000012919062 571145159 /nfs/dbraw/zinc/14/51/59/571145159.db2.gz PSRYJYVSWRGNML-QFIPXVFZSA-N 1 0 363.505 4.028 50 0 FIAARO OCc1ccc(C[NH+]2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)o1 ZINC000067886212 571151252 /nfs/dbraw/zinc/15/12/52/571151252.db2.gz DCEUXQNQCAHAIY-UHFFFAOYSA-N 1 0 371.868 4.195 50 0 FIAARO COc1ccc(N2C3=CCCC[N@@H+]3[C@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000075250292 571158319 /nfs/dbraw/zinc/15/83/19/571158319.db2.gz QNWWEDYZVJFMCR-VFNWGFHPSA-N 1 0 370.880 4.340 50 0 FIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=[NH2+])oc2c1 ZINC000001658194 571162462 /nfs/dbraw/zinc/16/24/62/571162462.db2.gz URUISBFOSYVQEE-UHFFFAOYSA-N 1 0 353.397 4.150 50 0 FIAARO CC(C)[C@H]1C[N@H+](Cc2ccsc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071714645 571163763 /nfs/dbraw/zinc/16/37/63/571163763.db2.gz IWDWBCBWYTYMOR-LJQANCHMSA-N 1 0 360.498 4.146 50 0 FIAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071730300 571164122 /nfs/dbraw/zinc/16/41/22/571164122.db2.gz NZOQGWBSDAFOAB-INIZCTEOSA-N 1 0 351.416 4.284 50 0 FIAARO C[C@@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000072141687 571171920 /nfs/dbraw/zinc/17/19/20/571171920.db2.gz JXZPDJBWFSYCAJ-NSHDSACASA-N 1 0 355.322 4.187 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ncsc2c1)c1cc2ccccc2o1 ZINC000575620022 571172601 /nfs/dbraw/zinc/17/26/01/571172601.db2.gz HPPQKJJMEWALJL-MRXNPFEDSA-N 1 0 365.458 4.075 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cc2ccccc2o1 ZINC000575621398 571173458 /nfs/dbraw/zinc/17/34/58/571173458.db2.gz NZWFLFYCTWXIIC-GOSISDBHSA-N 1 0 366.436 4.023 50 0 FIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc2ccccc2c1 ZINC000012517575 571173741 /nfs/dbraw/zinc/17/37/41/571173741.db2.gz MLPIKFMHNJIAES-UHFFFAOYSA-N 1 0 359.473 4.152 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3cccc(-c4ccccn4)c3)CC2)c1 ZINC000072152277 571174506 /nfs/dbraw/zinc/17/45/06/571174506.db2.gz BJFWPHXIFVWJAR-UHFFFAOYSA-N 1 0 357.501 4.375 50 0 FIAARO Cc1cc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2cc1O ZINC000002158225 571175958 /nfs/dbraw/zinc/17/59/58/571175958.db2.gz BFARNBHSGHICRR-UHFFFAOYSA-N 1 0 363.457 4.262 50 0 biogenic FIAARO c1cn(CCOc2ccccc2C[N@@H+]2CCCC[C@@H]2c2ccccn2)cn1 ZINC000072166441 571176715 /nfs/dbraw/zinc/17/67/15/571176715.db2.gz SHFUUFJBDGCHHJ-OAQYLSRUSA-N 1 0 362.477 4.084 50 0 FIAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000072168297 571177091 /nfs/dbraw/zinc/17/70/91/571177091.db2.gz XSLUQESPUGEZJG-SFHVURJKSA-N 1 0 363.461 4.430 50 0 FIAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072168932 571177372 /nfs/dbraw/zinc/17/73/72/571177372.db2.gz CCHMNQQAKQMLOG-MRXNPFEDSA-N 1 0 370.459 4.265 50 0 FIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000012980874 571183385 /nfs/dbraw/zinc/18/33/85/571183385.db2.gz BJASNTHHTCQTOS-HNNXBMFYSA-N 1 0 368.868 4.123 50 0 FIAARO CCOc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)cc1 ZINC000075483517 571188977 /nfs/dbraw/zinc/18/89/77/571188977.db2.gz NIKSKDBLGRHSDG-UHFFFAOYSA-N 1 0 363.461 4.415 50 0 FIAARO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000013019092 571189610 /nfs/dbraw/zinc/18/96/10/571189610.db2.gz FOACXPGVKWKXFI-SFHVURJKSA-N 1 0 366.505 4.367 50 0 FIAARO COc1cccc(-c2ccc(C(=O)N3CCCC[C@H]3CC[NH+](C)C)cc2)c1 ZINC000072422127 571193292 /nfs/dbraw/zinc/19/32/92/571193292.db2.gz HRVSJCVBWNOICN-NRFANRHFSA-N 1 0 366.505 4.309 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cnn1C ZINC000299782996 571198565 /nfs/dbraw/zinc/19/85/65/571198565.db2.gz GVNGYOPCOYXFQS-INIZCTEOSA-N 1 0 369.900 4.152 50 0 FIAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000299782838 571198611 /nfs/dbraw/zinc/19/86/11/571198611.db2.gz XVBUBERGNSETDM-LJQANCHMSA-N 1 0 354.469 4.295 50 0 FIAARO [NH3+]C[C@@H]1CCC[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000074937981 571202391 /nfs/dbraw/zinc/20/23/91/571202391.db2.gz BYELCFRNXMFUER-SJORKVTESA-N 1 0 364.489 4.290 50 0 FIAARO Fc1cccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299801500 571203286 /nfs/dbraw/zinc/20/32/86/571203286.db2.gz ZLKGZDGTCVWNRB-ZCNNSNEGSA-N 1 0 363.436 4.493 50 0 FIAARO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000001233939 571210331 /nfs/dbraw/zinc/21/03/31/571210331.db2.gz FXJNAOPQWIPEMZ-FUHIMQAGSA-N 1 0 357.518 4.032 50 0 FIAARO Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2[nH+]1 ZINC000089583102 571212650 /nfs/dbraw/zinc/21/26/50/571212650.db2.gz AIUPZBUCRZNWLO-JOCHJYFZSA-N 1 0 365.452 4.168 50 0 FIAARO C[N@H+](Cc1csc(-c2cccs2)n1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077487905 571213403 /nfs/dbraw/zinc/21/34/03/571213403.db2.gz RLBAMUGUWACSTJ-OAHLLOKOSA-N 1 0 364.536 4.032 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)N1CCC(F)(F)CC1 ZINC000426406343 571221265 /nfs/dbraw/zinc/22/12/65/571221265.db2.gz VBLOLISTIMCPKX-SFHVURJKSA-N 1 0 365.468 4.044 50 0 FIAARO CO[C@]12CC[N@H+](Cc3cc(F)cc(Cl)c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426431009 571224604 /nfs/dbraw/zinc/22/46/04/571224604.db2.gz HTFUUKWEZCGIAQ-HSALFYBXSA-N 1 0 367.892 4.418 50 0 FIAARO CN(C)[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000097465754 571232150 /nfs/dbraw/zinc/23/21/50/571232150.db2.gz BZGZQXANSVORRV-GOSISDBHSA-N 1 0 370.390 4.159 50 0 FIAARO CCC[NH+]1CCC(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000097595811 571232376 /nfs/dbraw/zinc/23/23/76/571232376.db2.gz UVMOSMBJJDGVDT-UHFFFAOYSA-N 1 0 358.486 4.121 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C/C=C/c1ccc(F)cc1)C2 ZINC000091693660 571242524 /nfs/dbraw/zinc/24/25/24/571242524.db2.gz PRFFTUAFGDHOBB-AWJROHARSA-N 1 0 369.484 4.040 50 0 FIAARO FC1(F)CC[C@H](C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000252481716 571280023 /nfs/dbraw/zinc/28/00/23/571280023.db2.gz CQWWCCSWDIYENR-GOEBONIOSA-N 1 0 352.473 4.467 50 0 FIAARO COCCc1noc(C[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000252511014 571281583 /nfs/dbraw/zinc/28/15/83/571281583.db2.gz CXLMQGMRXLCXSQ-RBUKOAKNSA-N 1 0 361.530 4.362 50 0 FIAARO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc(Oc2ccccn2)cc1 ZINC000170678115 571285049 /nfs/dbraw/zinc/28/50/49/571285049.db2.gz ZIVVBPLFPYLKKW-FQEVSTJZSA-N 1 0 361.445 4.317 50 0 FIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1cc2ccccc2s1 ZINC000253394028 571311885 /nfs/dbraw/zinc/31/18/85/571311885.db2.gz ZWRZUQHEPODXLY-UHFFFAOYSA-N 1 0 374.575 4.239 50 0 FIAARO CC(C)(C)c1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000584895665 571315349 /nfs/dbraw/zinc/31/53/49/571315349.db2.gz OEAOZDQQRKUMFC-FQEVSTJZSA-N 1 0 357.542 4.144 50 0 FIAARO CC(=O)[C@@H]1[C@H]([NH+](C)C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657114 571322570 /nfs/dbraw/zinc/32/25/70/571322570.db2.gz KIIFJDKQTHOFGN-OAYRPIMLSA-N 1 0 359.554 4.055 50 0 biogenic FIAARO CCc1c[nH]nc1C1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000019595534 571326651 /nfs/dbraw/zinc/32/66/51/571326651.db2.gz OUVQVOXUTMRFLT-UHFFFAOYSA-N 1 0 352.507 4.475 50 0 FIAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000095349625 571328855 /nfs/dbraw/zinc/32/88/55/571328855.db2.gz FYKXAJWEGUGZOD-FQEVSTJZSA-N 1 0 358.485 4.134 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 ZINC000095393014 571329239 /nfs/dbraw/zinc/32/92/39/571329239.db2.gz KZFKDZJAMMCACO-NRFANRHFSA-N 1 0 364.533 4.353 50 0 FIAARO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000095423544 571329463 /nfs/dbraw/zinc/32/94/63/571329463.db2.gz KWOKPNVGESXVNF-GOSISDBHSA-N 1 0 354.485 4.492 50 0 FIAARO CCC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756550 571331627 /nfs/dbraw/zinc/33/16/27/571331627.db2.gz AVDNBGWMBOVJHY-VXKWHMMOSA-N 1 0 373.924 4.444 50 0 FIAARO CCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756556 571331644 /nfs/dbraw/zinc/33/16/44/571331644.db2.gz AVDNBGWMBOVJHY-FCHUYYIVSA-N 1 0 373.924 4.444 50 0 FIAARO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000095989237 571333570 /nfs/dbraw/zinc/33/35/70/571333570.db2.gz MNEPFHQATVXXPN-IIBYNOLFSA-N 1 0 353.441 4.186 50 0 FIAARO Cc1cccc(O[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000096027296 571334115 /nfs/dbraw/zinc/33/41/15/571334115.db2.gz RTXLMUGELDZOTK-JOCHJYFZSA-N 1 0 368.521 4.350 50 0 FIAARO CCOc1ccccc1OCC[NH2+]CCCC(=O)c1cccc(Cl)c1 ZINC000096027311 571334186 /nfs/dbraw/zinc/33/41/86/571334186.db2.gz IDABNOGBTXXMCK-UHFFFAOYSA-N 1 0 361.869 4.370 50 0 FIAARO O=C(c1ccc(Cl)cc1Cl)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028038006 571335554 /nfs/dbraw/zinc/33/55/54/571335554.db2.gz WNPLEIZKJRWVPL-UHFFFAOYSA-N 1 0 369.317 4.403 50 0 FIAARO CCC[NH+](CCC)CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000021714604 571335686 /nfs/dbraw/zinc/33/56/86/571335686.db2.gz FKIYATYNCCALHT-UHFFFAOYSA-N 1 0 371.460 4.348 50 0 FIAARO O=C(Cc1cccc2ccccc21)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687064 571337858 /nfs/dbraw/zinc/33/78/58/571337858.db2.gz JPFCATXGIQOORL-QHCPKHFHSA-N 1 0 370.496 4.042 50 0 FIAARO Cc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000004193221 571356679 /nfs/dbraw/zinc/35/66/79/571356679.db2.gz DXRWQJFQUPCIOT-UHFFFAOYSA-N 1 0 373.456 4.172 50 0 FIAARO CCN(C(=O)Nc1cccnc1Cl)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314424 1081825693 /nfs/dbraw/zinc/82/56/93/1081825693.db2.gz JCKOLSXYZGGJIX-RDJZCZTQSA-N 1 0 372.900 4.424 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000023373393 1084105095 /nfs/dbraw/zinc/10/50/95/1084105095.db2.gz LWEHSWVSFYNECG-IBGZPJMESA-N 1 0 366.534 4.030 50 0 FIAARO O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177705150 1084241286 /nfs/dbraw/zinc/24/12/86/1084241286.db2.gz CZLZZMCJTAABHT-MRXNPFEDSA-N 1 0 373.403 4.069 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000581807741 1084612507 /nfs/dbraw/zinc/61/25/07/1084612507.db2.gz RHXCNJWIUCXPNJ-HXUWFJFHSA-N 1 0 351.494 4.255 50 0 FIAARO CCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)n1 ZINC000023145496 1086056428 /nfs/dbraw/zinc/05/64/28/1086056428.db2.gz LKIWSVMMKDVIHO-UHFFFAOYSA-N 1 0 351.494 4.156 50 0 FIAARO CCC[N@H+](Cc1ccsc1)Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1 ZINC000023214308 1086255150 /nfs/dbraw/zinc/25/51/50/1086255150.db2.gz NYIKFZOGZGRSFA-UHFFFAOYSA-N 1 0 353.491 4.219 50 0 FIAARO CC[C@@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000888093749 1086755701 /nfs/dbraw/zinc/75/57/01/1086755701.db2.gz QRRHCKAXERXYCP-GRIAEXQCSA-N 1 0 359.514 4.048 50 0 FIAARO CC(C)C[NH+]1CCC2(CC1)CCC(O)(CN1CCc3ccccc31)CC2 ZINC000257177250 1090258401 /nfs/dbraw/zinc/25/84/01/1090258401.db2.gz WCANWZCSRFWTAS-UHFFFAOYSA-N 1 0 356.554 4.092 50 0 FIAARO CC(C)C(=O)N1CCC2(CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257189989 1090318753 /nfs/dbraw/zinc/31/87/53/1090318753.db2.gz KSANCPDGZTUJAO-UHFFFAOYSA-N 1 0 354.538 4.252 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257195142 1090333104 /nfs/dbraw/zinc/33/31/04/1090333104.db2.gz VMDDLXYTKZSGCD-GOSISDBHSA-N 1 0 357.523 4.075 50 0 FIAARO CC(C)CN1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011770 1090886959 /nfs/dbraw/zinc/88/69/59/1090886959.db2.gz BROQWLKOKLDXMP-QFIPXVFZSA-N 1 0 358.574 4.257 50 0 FIAARO Cc1cccc(C)c1/C=C/C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000225494786 1115189318 /nfs/dbraw/zinc/18/93/18/1115189318.db2.gz IFUAHDWGMCJIMT-BQYQJAHWSA-N 1 0 354.538 4.287 50 0 FIAARO O=C(c1ccccc1OC[C@H]1CCC[N@@H+](C2CCCCC2)C1)N1CCCC1 ZINC000169765080 1115681661 /nfs/dbraw/zinc/68/16/61/1115681661.db2.gz PXPXCXBGDCVHJW-IBGZPJMESA-N 1 0 370.537 4.346 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(F)cc1)c1cccc(OC)c1 ZINC000032902753 1121539410 /nfs/dbraw/zinc/53/94/10/1121539410.db2.gz QVKGNXOQXVYCLC-QGFLDLQWSA-N 1 0 370.468 4.047 50 0 FIAARO CC(C)COc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175236634 1123791134 /nfs/dbraw/zinc/79/11/34/1123791134.db2.gz KVVGNKYZZGXXEC-UHFFFAOYSA-N 1 0 359.514 4.250 50 0 FIAARO Cc1noc(C)c1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011708247 1124958016 /nfs/dbraw/zinc/95/80/16/1124958016.db2.gz GKVSIVANVXVURU-JOCHJYFZSA-N 1 0 373.541 4.190 50 0 FIAARO Cc1cc(N2CCCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc[nH+]1 ZINC000299794437 203775092 /nfs/dbraw/zinc/77/50/92/203775092.db2.gz KPOMYBWYNKALKA-UHFFFAOYSA-N 1 0 358.873 4.096 50 0 FIAARO CC1(C)CC(NC(=S)Nc2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000001162306 203990821 /nfs/dbraw/zinc/99/08/21/203990821.db2.gz LCGRYJVZRIFGMT-UHFFFAOYSA-N 1 0 370.360 4.045 50 0 FIAARO O=C(c1ccc(Br)cc1F)c1ccccc1C[NH+]1CCCC1 ZINC000002515576 204042181 /nfs/dbraw/zinc/04/21/81/204042181.db2.gz MGJKMSWUJJVYKU-UHFFFAOYSA-N 1 0 362.242 4.415 50 0 FIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383838 204018868 /nfs/dbraw/zinc/01/88/68/204018868.db2.gz RXGWSHFUJMFZPS-RQJZOYDLSA-N 1 0 351.575 4.385 50 0 FIAARO CCOC(=O)c1cccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000002515001 204042678 /nfs/dbraw/zinc/04/26/78/204042678.db2.gz OCQYDELOJMRTOR-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000002296728 204033079 /nfs/dbraw/zinc/03/30/79/204033079.db2.gz VPJGYORAHWGDBK-HSZRJFAPSA-N 1 0 364.489 4.165 50 0 FIAARO CC[NH+](CC)CCNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000003169979 204080352 /nfs/dbraw/zinc/08/03/52/204080352.db2.gz BDJOEWWIQUMNBP-UHFFFAOYSA-N 1 0 370.280 4.028 50 0 FIAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000003241632 204084546 /nfs/dbraw/zinc/08/45/46/204084546.db2.gz MKZLMIQWOVJCAZ-UHFFFAOYSA-N 1 0 367.880 4.237 50 0 FIAARO C[C@@H](NC(=O)c1ccc(F)cc1Cl)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003261398 204085614 /nfs/dbraw/zinc/08/56/14/204085614.db2.gz QWEKCQFTYATLDE-SJKOYZFVSA-N 1 0 366.889 4.496 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000002735154 204053685 /nfs/dbraw/zinc/05/36/85/204053685.db2.gz JUMJMQVCTRHKTK-HOTGVXAUSA-N 1 0 365.359 4.391 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)o1 ZINC000002840725 204061403 /nfs/dbraw/zinc/06/14/03/204061403.db2.gz KGHBRGUTULRKQO-UHFFFAOYSA-N 1 0 363.255 4.280 50 0 FIAARO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(Br)c1 ZINC000003667938 204110460 /nfs/dbraw/zinc/11/04/60/204110460.db2.gz PDIXGTGFDXWHMR-MGPQQGTHSA-N 1 0 354.288 4.257 50 0 FIAARO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000003878727 204112838 /nfs/dbraw/zinc/11/28/38/204112838.db2.gz FXJNAOPQWIPEMZ-MBOZVWFJSA-N 1 0 357.518 4.032 50 0 FIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000003904931 204113833 /nfs/dbraw/zinc/11/38/33/204113833.db2.gz PDIXGTGFDXWHMR-MELADBBJSA-N 1 0 354.288 4.257 50 0 FIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Br)cc1 ZINC000003904940 204113868 /nfs/dbraw/zinc/11/38/68/204113868.db2.gz JPIQNXLYUCFYCE-MELADBBJSA-N 1 0 354.288 4.257 50 0 FIAARO CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)[NH+]1CCCC1)CCCC2 ZINC000004193657 204127124 /nfs/dbraw/zinc/12/71/24/204127124.db2.gz BIYGJTHCMFLRFT-IBGZPJMESA-N 1 0 355.507 4.166 50 0 FIAARO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000003418314 204099482 /nfs/dbraw/zinc/09/94/82/204099482.db2.gz LDVYYFWQSZETHU-HXUWFJFHSA-N 1 0 365.473 4.135 50 0 FIAARO CCOc1cc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1OC ZINC000004577382 204147978 /nfs/dbraw/zinc/14/79/78/204147978.db2.gz JZWUBMJGRUCSEH-QFIPXVFZSA-N 1 0 371.477 4.126 50 0 biogenic FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000004725498 204159044 /nfs/dbraw/zinc/15/90/44/204159044.db2.gz IUDBMFMHDBXQBG-UHFFFAOYSA-N 1 0 354.469 4.086 50 0 FIAARO C[NH+](C)Cc1ccc([C@@]2(c3ccccc3)O[C@](C)(O)c3ccccc32)cc1 ZINC000004797738 204164142 /nfs/dbraw/zinc/16/41/42/204164142.db2.gz BGUFLAMMGLHEGY-BJKOFHAPSA-N 1 0 359.469 4.235 50 0 FIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)nc21 ZINC000004359675 204135976 /nfs/dbraw/zinc/13/59/76/204135976.db2.gz CFNNSUCAIUTZHT-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1cccs1 ZINC000004942823 204179339 /nfs/dbraw/zinc/17/93/39/204179339.db2.gz HUMHJYPTTAEUAQ-UHFFFAOYSA-N 1 0 354.475 4.411 50 0 FIAARO CC(C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000005072995 204190103 /nfs/dbraw/zinc/19/01/03/204190103.db2.gz ZNCSWUIKMAAFOJ-UHFFFAOYSA-N 1 0 350.506 4.280 50 0 FIAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C(C)C)CC2)o1 ZINC000005093364 204191857 /nfs/dbraw/zinc/19/18/57/204191857.db2.gz XZJYJFJKCKOSNZ-LJQANCHMSA-N 1 0 365.477 4.332 50 0 FIAARO CC(C)(C)c1ccc([C@]2(O)CN3CCCSC3=[N+]2c2ccccc2)cc1 ZINC000005726806 204223063 /nfs/dbraw/zinc/22/30/63/204223063.db2.gz FMFZKFMKJSWNRF-JOCHJYFZSA-N 1 0 367.538 4.155 50 0 FIAARO C[N@@H+]1CCCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000006507881 204251136 /nfs/dbraw/zinc/25/11/36/204251136.db2.gz PRNSQRVFIZEPJA-UHFFFAOYSA-N 1 0 370.547 4.050 50 0 FIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3)c2C2CC[NH2+]CC2)cc1C ZINC000007000366 204286346 /nfs/dbraw/zinc/28/63/46/204286346.db2.gz AFWKNXHJEUSNDN-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000006832764 204274951 /nfs/dbraw/zinc/27/49/51/204274951.db2.gz FTKGUSQLDLXKBE-NRFANRHFSA-N 1 0 361.489 4.431 50 0 FIAARO CCOc1ccc(NC(=O)N(Cc2ccco2)C2CC[NH+](CC)CC2)cc1 ZINC000006877599 204278581 /nfs/dbraw/zinc/27/85/81/204278581.db2.gz ATSBZDLQBLXAPE-UHFFFAOYSA-N 1 0 371.481 4.197 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000007828448 204309201 /nfs/dbraw/zinc/30/92/01/204309201.db2.gz MNOPKVYZNRVTGC-UHFFFAOYSA-N 1 0 362.876 4.180 50 0 FIAARO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000008328526 204327677 /nfs/dbraw/zinc/32/76/77/204327677.db2.gz GBHNLGZJDNHEAB-RDTXWAMCSA-N 1 0 356.491 4.239 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000008533251 204334312 /nfs/dbraw/zinc/33/43/12/204334312.db2.gz BAZBLGCIIRXGGB-HNNXBMFYSA-N 1 0 360.885 4.424 50 0 FIAARO c1csc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1 ZINC000007523953 204299121 /nfs/dbraw/zinc/29/91/21/204299121.db2.gz JXYUKNQIRWYZPV-UHFFFAOYSA-N 1 0 353.443 4.346 50 0 FIAARO O=C(Nc1ccnn1C1CC[NH+](C2CCCC2)CC1)c1ccccc1Cl ZINC000011843054 204417634 /nfs/dbraw/zinc/41/76/34/204417634.db2.gz BONYQQHQONUCTN-UHFFFAOYSA-N 1 0 372.900 4.368 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 ZINC000009917189 204386354 /nfs/dbraw/zinc/38/63/54/204386354.db2.gz ZOFKKAGAWPCQAM-UHFFFAOYSA-N 1 0 374.484 4.257 50 0 FIAARO CCc1ccc2c(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000010022750 204388225 /nfs/dbraw/zinc/38/82/25/204388225.db2.gz UDYFAKYFIRLMAQ-LJQANCHMSA-N 1 0 366.461 4.084 50 0 FIAARO C[C@H](NC(=O)NCc1ccccc1C[NH+](C)C)c1cc2ccccc2o1 ZINC000010466177 204396696 /nfs/dbraw/zinc/39/66/96/204396696.db2.gz NIKUKJRCBWLEOB-HNNXBMFYSA-N 1 0 351.450 4.055 50 0 FIAARO CSCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)o1 ZINC000011998378 204424211 /nfs/dbraw/zinc/42/42/11/204424211.db2.gz BTZPQXCGUJTCGB-FQEVSTJZSA-N 1 0 364.555 4.117 50 0 FIAARO Cc1nc(N2CCC[C@H]([NH2+]Cc3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012456339 204465577 /nfs/dbraw/zinc/46/55/77/204465577.db2.gz RVTWZLAGGLRGSY-IBGZPJMESA-N 1 0 364.468 4.226 50 0 FIAARO O=C(NCCC1=CCCCC1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663484 204756790 /nfs/dbraw/zinc/75/67/90/204756790.db2.gz PYRJUASTKLPXNR-UHFFFAOYSA-N 1 0 373.566 4.280 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331366 204835173 /nfs/dbraw/zinc/83/51/73/204835173.db2.gz RMADLLHHSAQSQX-LRDDRELGSA-N 1 0 368.955 4.301 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccsc1 ZINC000025331221 204835242 /nfs/dbraw/zinc/83/52/42/204835242.db2.gz YPELVQTXGAXXJD-AWEZNQCLSA-N 1 0 374.453 4.393 50 0 FIAARO CC(C)[C@H](CNC(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025919894 204844346 /nfs/dbraw/zinc/84/43/46/204844346.db2.gz VSJPBORYEMQPGP-IBGZPJMESA-N 1 0 374.887 4.292 50 0 FIAARO Cc1cc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000031662756 204919125 /nfs/dbraw/zinc/91/91/25/204919125.db2.gz ZFHMZAWRTZKBDT-INIZCTEOSA-N 1 0 371.550 4.390 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)o1 ZINC000036097921 205003554 /nfs/dbraw/zinc/00/35/54/205003554.db2.gz MXNIJAKBNHCICB-NRFANRHFSA-N 1 0 353.437 4.333 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccccc1C ZINC000036345713 205009714 /nfs/dbraw/zinc/00/97/14/205009714.db2.gz SAJSRVAHGOWJGZ-NRFANRHFSA-N 1 0 367.468 4.154 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc(C)cc1 ZINC000036343677 205011415 /nfs/dbraw/zinc/01/14/15/205011415.db2.gz JXFIQZDWWWODGH-OAQYLSRUSA-N 1 0 367.468 4.154 50 0 FIAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038853796 205042330 /nfs/dbraw/zinc/04/23/30/205042330.db2.gz AVFWUWYNHBLHNM-UHFFFAOYSA-N 1 0 366.461 4.086 50 0 FIAARO O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036875878 205022675 /nfs/dbraw/zinc/02/26/75/205022675.db2.gz ZKWYHNGOVAYIBX-OAQYLSRUSA-N 1 0 374.484 4.270 50 0 FIAARO CC(C)n1ccc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000079192642 205059960 /nfs/dbraw/zinc/05/99/60/205059960.db2.gz BLBYDEFNBYMLIX-VQTJNVASSA-N 1 0 353.510 4.217 50 0 biogenic FIAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000040161203 205061746 /nfs/dbraw/zinc/06/17/46/205061746.db2.gz JDHMXZAOLPAMAT-GJZGRUSLSA-N 1 0 362.429 4.246 50 0 FIAARO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1C ZINC000041363416 205090669 /nfs/dbraw/zinc/09/06/69/205090669.db2.gz DGEXKXJONPBGKV-UHFFFAOYSA-N 1 0 367.518 4.194 50 0 FIAARO CCCc1sc(C(=O)NC2CC[NH+](CCC)CC2)cc1Br ZINC000040488444 205071528 /nfs/dbraw/zinc/07/15/28/205071528.db2.gz GPIJZUSLHWCHON-UHFFFAOYSA-N 1 0 373.360 4.067 50 0 FIAARO CC(C)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044882670 205112788 /nfs/dbraw/zinc/11/27/88/205112788.db2.gz BBVBAUKYZKSNCP-UHFFFAOYSA-N 1 0 366.505 4.390 50 0 FIAARO O=C(Nc1cccc2cnccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043162572 205100704 /nfs/dbraw/zinc/10/07/04/205100704.db2.gz WWSWYSVTNRHUBV-UHFFFAOYSA-N 1 0 360.461 4.021 50 0 FIAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000043188509 205100919 /nfs/dbraw/zinc/10/09/19/205100919.db2.gz QIVBKSFPULIFAQ-UHFFFAOYSA-N 1 0 357.885 4.435 50 0 FIAARO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048249420 205153660 /nfs/dbraw/zinc/15/36/60/205153660.db2.gz PNHJCPQDOKJMHE-IFXJQAMLSA-N 1 0 351.475 4.460 50 0 FIAARO CC(C)Oc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000048712600 205165951 /nfs/dbraw/zinc/16/59/51/205165951.db2.gz UEWCKIUAEYLLID-UHFFFAOYSA-N 1 0 370.468 4.007 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000051329954 205182775 /nfs/dbraw/zinc/18/27/75/205182775.db2.gz QCNFXBFFQZTQHX-GOSISDBHSA-N 1 0 367.518 4.494 50 0 FIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](COc3ccc(C)cc3)C2)cc1 ZINC000055054715 205205613 /nfs/dbraw/zinc/20/56/13/205205613.db2.gz VMPWQZNBOJLOPE-FQEVSTJZSA-N 1 0 352.478 4.244 50 0 FIAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccn1-c1nccs1 ZINC000055211460 205212274 /nfs/dbraw/zinc/21/22/74/205212274.db2.gz XPCZFAXUQGRSHB-UHFFFAOYSA-N 1 0 367.453 4.095 50 0 FIAARO COc1c(F)cc(CN(CC[NH+](C)C)Cc2ccsc2)cc1Cl ZINC000055404479 205217911 /nfs/dbraw/zinc/21/79/11/205217911.db2.gz SWGUUWNVXLOBEC-UHFFFAOYSA-N 1 0 356.894 4.113 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000059331460 205280627 /nfs/dbraw/zinc/28/06/27/205280627.db2.gz JSRRAJJERLSJIZ-CQSZACIVSA-N 1 0 355.956 4.083 50 0 FIAARO Fc1cc(-c2cccs2)ccc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000060953165 205285256 /nfs/dbraw/zinc/28/52/56/205285256.db2.gz OAJZXIVEDJIWBN-AWEZNQCLSA-N 1 0 358.404 4.280 50 0 FIAARO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000058428452 205276164 /nfs/dbraw/zinc/27/61/64/205276164.db2.gz CEGKGGSBUWJUTA-HXUWFJFHSA-N 1 0 367.880 4.388 50 0 FIAARO COc1ccc2[nH]c(C[NH2+]Cc3cc(C)c(OC(C)=O)c(C)c3)cc2c1 ZINC000065432337 205350076 /nfs/dbraw/zinc/35/00/76/205350076.db2.gz DELLVVFVMDGQIQ-UHFFFAOYSA-N 1 0 352.434 4.008 50 0 FIAARO C/C=C/C(=O)Nc1ccccc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000065504912 205356535 /nfs/dbraw/zinc/35/65/35/205356535.db2.gz MWPCBCWTQAKSDY-ZVVFDCPKSA-N 1 0 350.462 4.261 50 0 FIAARO Cc1cncc(NC(=O)c2ccc(C[N@@H+](C)[C@@H](C)c3ccccn3)cc2)c1 ZINC000065526620 205356654 /nfs/dbraw/zinc/35/66/54/205356654.db2.gz QPQJTWYMRMGZSY-KRWDZBQOSA-N 1 0 360.461 4.230 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1)N2 ZINC000065298501 205335740 /nfs/dbraw/zinc/33/57/40/205335740.db2.gz VPHDKNVNYLVFQV-HXUWFJFHSA-N 1 0 363.505 4.116 50 0 biogenic FIAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CC)ccc21 ZINC000065322365 205337003 /nfs/dbraw/zinc/33/70/03/205337003.db2.gz ZOWWQOARGPZIIC-UHFFFAOYSA-N 1 0 356.514 4.417 50 0 FIAARO Cc1noc(-c2ccnc(Oc3ccc(C[NH+]4CCCC4)cc3C)c2)n1 ZINC000067447297 205372409 /nfs/dbraw/zinc/37/24/09/205372409.db2.gz KGGOACOXFRSISS-UHFFFAOYSA-N 1 0 350.422 4.137 50 0 FIAARO COc1cc(-c2ccc(C)s2)cc2c1OCCN(C1CC[NH+](C)CC1)C2 ZINC000067650106 205379555 /nfs/dbraw/zinc/37/95/55/205379555.db2.gz PCGHTVKGGOAXNL-UHFFFAOYSA-N 1 0 372.534 4.021 50 0 FIAARO Cc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091381993 205672069 /nfs/dbraw/zinc/67/20/69/205672069.db2.gz GPOZSJWVKGBWBW-GOSISDBHSA-N 1 0 353.510 4.184 50 0 FIAARO C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000095943501 205797108 /nfs/dbraw/zinc/79/71/08/205797108.db2.gz HXVIOPYTQXPYCV-DNVCBOLYSA-N 1 0 353.466 4.195 50 0 FIAARO Cc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000096281446 205870577 /nfs/dbraw/zinc/87/05/77/205870577.db2.gz PHPFSGRLXWCUSC-YADHBBJMSA-N 1 0 354.538 4.213 50 0 FIAARO CCOC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C(=O)OC)cc23)c1 ZINC000000949573 206142981 /nfs/dbraw/zinc/14/29/81/206142981.db2.gz KJSUMZVKMUUURC-UHFFFAOYSA-N 1 0 364.401 4.250 50 0 FIAARO C[C@H]1[N+](c2ccccc2)=C2SCCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000003208763 206159614 /nfs/dbraw/zinc/15/96/14/206159614.db2.gz XHQCDOLSMDCJNE-AUUYWEPGSA-N 1 0 359.902 4.026 50 0 FIAARO CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004263230 206173027 /nfs/dbraw/zinc/17/30/27/206173027.db2.gz AGJKXCLKJGOAQN-INIZCTEOSA-N 1 0 354.277 4.255 50 0 FIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)Cc3ccccc3)nc21 ZINC000004359715 206175605 /nfs/dbraw/zinc/17/56/05/206175605.db2.gz CODMCOBLWGLPJT-UHFFFAOYSA-N 1 0 367.518 4.132 50 0 FIAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)nc21 ZINC000004359229 206175739 /nfs/dbraw/zinc/17/57/39/206175739.db2.gz BWVFAERESDOFHG-MDZDMXLPSA-N 1 0 371.531 4.274 50 0 FIAARO CC1(C)CC(N2COc3c(cc(Cl)c4cccnc43)C2)CC(C)(C)[NH2+]1 ZINC000004003704 206163861 /nfs/dbraw/zinc/16/38/61/206163861.db2.gz SYJYOXCDRAMZEG-UHFFFAOYSA-N 1 0 359.901 4.349 50 0 FIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH2+]Cc1ccc(F)cc1 ZINC000004028556 206164101 /nfs/dbraw/zinc/16/41/01/206164101.db2.gz RQMDDMBXJIFXNQ-RMEPHLEKSA-N 1 0 357.469 4.374 50 0 biogenic FIAARO COc1cccc(OC)c1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624454 206203424 /nfs/dbraw/zinc/20/34/24/206203424.db2.gz RMEWMSSUXAZHPS-GOSISDBHSA-N 1 0 356.466 4.095 50 0 biogenic FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717197 206217773 /nfs/dbraw/zinc/21/77/73/206217773.db2.gz ZDTZEXREGSNIPY-AWEZNQCLSA-N 1 0 356.466 4.048 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(Cl)ccc1F ZINC000007448941 206244847 /nfs/dbraw/zinc/24/48/47/206244847.db2.gz MLQCIMUKRGJERK-UHFFFAOYSA-N 1 0 360.860 4.395 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)CCCc1cccs1)C1CC1 ZINC000170599314 206270760 /nfs/dbraw/zinc/27/07/60/206270760.db2.gz WPBQMAZCCKCEEU-FQEVSTJZSA-N 1 0 356.535 4.098 50 0 FIAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3sccc3Cl)ccc2NC1=O ZINC000170615836 206274833 /nfs/dbraw/zinc/27/48/33/206274833.db2.gz WURZXPFKLMGXKZ-YGRLFVJLSA-N 1 0 350.871 4.362 50 0 FIAARO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2CCCCc2cccc(C(F)(F)F)c2)CN1 ZINC000170616065 206274916 /nfs/dbraw/zinc/27/49/16/206274916.db2.gz URJRLVCQLWPCSP-AEFFLSMTSA-N 1 0 368.443 4.019 50 0 FIAARO C[N@H+](CCCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000010897744 206280834 /nfs/dbraw/zinc/28/08/34/206280834.db2.gz IVYXJDORNALXDG-UHFFFAOYSA-N 1 0 351.277 4.497 50 0 FIAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1Cl ZINC000174937314 206288926 /nfs/dbraw/zinc/28/89/26/206288926.db2.gz CLIPXHQIRCTYJW-IBGZPJMESA-N 1 0 370.924 4.253 50 0 FIAARO CC1=C2C[C@@H]3[C@H](C[N@H+](C)CCc4ccccn4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012660036 206292972 /nfs/dbraw/zinc/29/29/72/206292972.db2.gz HVDXBYCQTJYUKM-MHXAIHSWSA-N 1 0 368.521 4.014 50 0 biogenic FIAARO COc1ccc(-c2csc(NC(=O)C[NH2+]C3CCCCCCC3)n2)cc1 ZINC000012859476 206297091 /nfs/dbraw/zinc/29/70/91/206297091.db2.gz OCCDAFTUFNRVCW-UHFFFAOYSA-N 1 0 373.522 4.460 50 0 FIAARO O=C(NCCC[NH+]1CCCC1)c1ccccc1SCc1ccccc1 ZINC000013648595 206304138 /nfs/dbraw/zinc/30/41/38/206304138.db2.gz ZYEMESZNPLCRRF-UHFFFAOYSA-N 1 0 354.519 4.195 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000016780234 206320454 /nfs/dbraw/zinc/32/04/54/206320454.db2.gz RTGIQEYEVYYDTM-UHFFFAOYSA-N 1 0 362.420 4.060 50 0 FIAARO Cc1oc2ccccc2c1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000185919866 206321416 /nfs/dbraw/zinc/32/14/16/206321416.db2.gz YFKOOKVNQQORDK-OAHLLOKOSA-N 1 0 363.461 4.092 50 0 FIAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH+]2CCC(c3n[nH]cc3C)CC2)n1 ZINC000215633923 206350325 /nfs/dbraw/zinc/35/03/25/206350325.db2.gz ONMONDBKONZEHS-UHFFFAOYSA-N 1 0 367.472 4.039 50 0 FIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](Cn4ccnc4)C3)o2)cc1 ZINC000216125193 206356480 /nfs/dbraw/zinc/35/64/80/206356480.db2.gz TUWKWMXPAJVEQO-QGZVFWFLSA-N 1 0 351.450 4.064 50 0 FIAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1 ZINC000021579117 206361666 /nfs/dbraw/zinc/36/16/66/206361666.db2.gz JXXTZZUEVZYSDZ-UHFFFAOYSA-N 1 0 370.452 4.004 50 0 FIAARO C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000057854150 206390210 /nfs/dbraw/zinc/39/02/10/206390210.db2.gz XARCYFBNYZYSAR-CYBMUJFWSA-N 1 0 351.277 4.003 50 0 FIAARO c1cn(Cc2ccccn2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000095372607 132208917 /nfs/dbraw/zinc/20/89/17/132208917.db2.gz CJDHZANVOXAECO-GOSISDBHSA-N 1 0 369.472 4.259 50 0 FIAARO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962418 132216412 /nfs/dbraw/zinc/21/64/12/132216412.db2.gz BHDHBRMXRZHIHO-HNNXBMFYSA-N 1 0 359.464 4.350 50 0 FIAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008344098 132259882 /nfs/dbraw/zinc/25/98/82/132259882.db2.gz NYYIASPMAFCDDA-IBGZPJMESA-N 1 0 365.521 4.444 50 0 FIAARO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000222476867 132277190 /nfs/dbraw/zinc/27/71/90/132277190.db2.gz WBUAPWYGQQJEFN-QFIPXVFZSA-N 1 0 363.505 4.013 50 0 FIAARO C[NH+]1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)CC1 ZINC000000946580 132379346 /nfs/dbraw/zinc/37/93/46/132379346.db2.gz DAVXRZYMQDDNSA-UHFFFAOYSA-N 1 0 360.505 4.346 50 0 FIAARO Cc1[nH+]ccc(N2CCOCC2)c1Oc1ncc(C(F)(F)F)cc1Cl ZINC000004040641 132386204 /nfs/dbraw/zinc/38/62/04/132386204.db2.gz LOUHYUCHMGWDFU-UHFFFAOYSA-N 1 0 373.762 4.086 50 0 FIAARO C[N@H+](Cc1ccccn1)C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048257852 136123093 /nfs/dbraw/zinc/12/30/93/136123093.db2.gz LJTLFMRGULQZJE-UHFFFAOYSA-N 1 0 364.518 4.306 50 0 FIAARO c1cc2c(ncnc2N2CC[NH+](Cc3csc4ccccc34)CC2)s1 ZINC000057323007 136128509 /nfs/dbraw/zinc/12/85/09/136128509.db2.gz CXPKMEMIMDWFFU-UHFFFAOYSA-N 1 0 366.515 4.228 50 0 FIAARO Cc1ncc(CN2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)cn1 ZINC000019743443 263375512 /nfs/dbraw/zinc/37/55/12/263375512.db2.gz BHTNMDCVYULGAA-HSZRJFAPSA-N 1 0 373.500 4.208 50 0 FIAARO CC(=O)c1cc(CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cs1 ZINC000020600988 518275407 /nfs/dbraw/zinc/27/54/07/518275407.db2.gz NQBSVLAPRKAEAZ-HXUWFJFHSA-N 1 0 368.546 4.014 50 0 FIAARO CC(C)c1nc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cs1 ZINC000078387968 519860390 /nfs/dbraw/zinc/86/03/90/519860390.db2.gz PWZYLPZAFYPSON-UHFFFAOYSA-N 1 0 363.571 4.114 50 0 FIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cccc(SC)c2)C1 ZINC000019838048 521423850 /nfs/dbraw/zinc/42/38/50/521423850.db2.gz USUWELWONNMFGO-FQEVSTJZSA-N 1 0 355.551 4.290 50 0 FIAARO CCC[NH+](CCC)CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329744 521646820 /nfs/dbraw/zinc/64/68/20/521646820.db2.gz LDRGJCXJMGGZSI-UHFFFAOYSA-N 1 0 373.888 4.472 50 0 FIAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000178986219 522057100 /nfs/dbraw/zinc/05/71/00/522057100.db2.gz GIYQHKMBMCBSFJ-AWEZNQCLSA-N 1 0 362.395 4.054 50 0 FIAARO CN1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909605 /nfs/dbraw/zinc/90/96/05/523909605.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 1 0 369.578 4.223 50 0 FIAARO Cc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020028451 525166561 /nfs/dbraw/zinc/16/65/61/525166561.db2.gz CSQQZARNWVSXGI-UHFFFAOYSA-N 1 0 370.496 4.483 50 0 FIAARO O=C(CCCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCC1 ZINC000020648194 526462743 /nfs/dbraw/zinc/46/27/43/526462743.db2.gz KCDDECXDQSOEFK-UHFFFAOYSA-N 1 0 353.510 4.030 50 0 FIAARO c1cn(Cc2cscn2)c(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000091288561 526537505 /nfs/dbraw/zinc/53/75/05/526537505.db2.gz ZIYVMMUBLIETIN-UHFFFAOYSA-N 1 0 366.534 4.200 50 0 FIAARO c1nc([C@H]2CCCO2)sc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000089800381 526605536 /nfs/dbraw/zinc/60/55/36/526605536.db2.gz QNYAUIHIQVATKF-MJGOQNOKSA-N 1 0 372.490 4.007 50 0 FIAARO c1nc([C@H]2CCCO2)sc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000089800380 526605732 /nfs/dbraw/zinc/60/57/32/526605732.db2.gz QNYAUIHIQVATKF-IEBWSBKVSA-N 1 0 372.490 4.007 50 0 FIAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000084387758 526664743 /nfs/dbraw/zinc/66/47/43/526664743.db2.gz FFOAZAJRQKLEML-UHFFFAOYSA-N 1 0 368.443 4.434 50 0 FIAARO OCCCC[NH2+]C1CCN(c2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000019837771 527538730 /nfs/dbraw/zinc/53/87/30/527538730.db2.gz MGYIFXIHOQUEHQ-UHFFFAOYSA-N 1 0 358.913 4.338 50 0 FIAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)cc1 ZINC000091624701 527633560 /nfs/dbraw/zinc/63/35/60/527633560.db2.gz KGGKFPXJSVMOGS-FQEVSTJZSA-N 1 0 365.521 4.081 50 0 FIAARO CCN1CC2(CCN(c3cc[nH+]c(C)c3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091725227 535444074 /nfs/dbraw/zinc/44/40/74/535444074.db2.gz BJKZWJJUBDKHLY-NRFANRHFSA-N 1 0 363.505 4.013 50 0 FIAARO CC[C@@H](C)c1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000299772570 535713682 /nfs/dbraw/zinc/71/36/82/535713682.db2.gz BRULETQTMJAXHX-MRXNPFEDSA-N 1 0 352.482 4.258 50 0 FIAARO CC1CCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000000778800 568202244 /nfs/dbraw/zinc/20/22/44/568202244.db2.gz WERSEXWWUGQQMK-UHFFFAOYSA-N 1 0 350.506 4.310 50 0 FIAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000000785802 568225037 /nfs/dbraw/zinc/22/50/37/568225037.db2.gz XWQCQAUYHYYLEA-UHFFFAOYSA-N 1 0 356.897 4.211 50 0 FIAARO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000000819183 568296934 /nfs/dbraw/zinc/29/69/34/568296934.db2.gz CNOHOAYXTKSQPA-UHFFFAOYSA-N 1 0 355.478 4.167 50 0 FIAARO Cc1cccnc1C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000220731698 568359682 /nfs/dbraw/zinc/35/96/82/568359682.db2.gz XPYITIODIVUNAF-LJQANCHMSA-N 1 0 365.521 4.127 50 0 FIAARO Brc1csc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000023257936 568392214 /nfs/dbraw/zinc/39/22/14/568392214.db2.gz CSDJFRMYZSIYRR-CQSZACIVSA-N 1 0 355.301 4.030 50 0 FIAARO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000221977504 568483777 /nfs/dbraw/zinc/48/37/77/568483777.db2.gz XDHLIZFUNBHEKF-JMUQELJHSA-N 1 0 353.506 4.194 50 0 FIAARO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356145 568546032 /nfs/dbraw/zinc/54/60/32/568546032.db2.gz FGBMBYJJNUFPSZ-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO COc1ccccc1-c1ccc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1 ZINC000095355431 570452759 /nfs/dbraw/zinc/45/27/59/570452759.db2.gz QHFNSHAMXKFPIB-LEWJYISDSA-N 1 0 366.505 4.020 50 0 FIAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000095358544 570453281 /nfs/dbraw/zinc/45/32/81/570453281.db2.gz BADCGSUWPAACKM-HXUWFJFHSA-N 1 0 360.457 4.071 50 0 FIAARO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nccn4CC4CCC4)C3)cn2c1 ZINC000095380110 570458213 /nfs/dbraw/zinc/45/82/13/570458213.db2.gz OOYVXJWUFWQGFV-LJQANCHMSA-N 1 0 363.509 4.019 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)CCCC2 ZINC000095386854 570460158 /nfs/dbraw/zinc/46/01/58/570460158.db2.gz HDRXDYZCSAOOHO-QGZVFWFLSA-N 1 0 366.505 4.248 50 0 FIAARO C[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)n1ccnc1 ZINC000095510948 570465526 /nfs/dbraw/zinc/46/55/26/570465526.db2.gz KBFRJHINTROYSH-KRWDZBQOSA-N 1 0 369.513 4.030 50 0 FIAARO Cc1ncsc1CC[N@@H+](C)C1CCN(c2nc3ccccc3s2)CC1 ZINC000095523159 570468003 /nfs/dbraw/zinc/46/80/03/570468003.db2.gz YNYNKTIHBQAUDQ-UHFFFAOYSA-N 1 0 372.563 4.205 50 0 FIAARO COc1ccc(NC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)c(F)c1 ZINC000096132576 570476378 /nfs/dbraw/zinc/47/63/78/570476378.db2.gz HSFYBKJBVOBVDU-UHFFFAOYSA-N 1 0 371.456 4.094 50 0 FIAARO CC(C)c1noc([C@@H]2CCCCN2Cc2ccccc2Cn2cccn2)n1 ZINC000097301284 570486022 /nfs/dbraw/zinc/48/60/22/570486022.db2.gz FRQXLKTZSNOPJP-IBGZPJMESA-N 1 0 365.481 4.165 50 0 FIAARO CCOc1ccccc1CCNC(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000097495179 570488426 /nfs/dbraw/zinc/48/84/26/570488426.db2.gz OQGITVXZBGHLAB-QGZVFWFLSA-N 1 0 370.493 4.198 50 0 FIAARO Cc1n[nH]c(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)c1Cl ZINC000097546592 570490170 /nfs/dbraw/zinc/49/01/70/570490170.db2.gz LIWQVKTUOQDQHW-ILZDJORESA-N 1 0 359.901 4.024 50 0 FIAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc([C@H]3CCCCO3)o1)CC2 ZINC000097759332 570493656 /nfs/dbraw/zinc/49/36/56/570493656.db2.gz ZYWRZQZKPJMNRH-LJQANCHMSA-N 1 0 366.461 4.007 50 0 FIAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001300549 570496987 /nfs/dbraw/zinc/49/69/87/570496987.db2.gz HTGGGQRKDDWKKW-INIZCTEOSA-N 1 0 351.446 4.342 50 0 FIAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N(Cc1nc(-c3ccco3)no1)C1CCCCC1)C2 ZINC000101766124 570513275 /nfs/dbraw/zinc/51/32/75/570513275.db2.gz ZMJLLDQMRLPGMW-PIIMJCKOSA-N 1 0 370.497 4.090 50 0 FIAARO O=C(CC1CCCC1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2ccc(F)cc2)C1 ZINC000034697753 570530752 /nfs/dbraw/zinc/53/07/52/570530752.db2.gz KKCKDGTXPMEQFK-IFMALSPDSA-N 1 0 372.528 4.434 50 0 FIAARO O=C1Nc2cc(Cl)ccc2/C1=C\c1cnc2ccc(Br)cn12 ZINC000084494342 570636282 /nfs/dbraw/zinc/63/62/82/570636282.db2.gz WGSCOPHZHACGDP-AWNIVKPZSA-N 1 0 374.625 4.243 50 0 FIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1 ZINC000011667861 570705264 /nfs/dbraw/zinc/70/52/64/570705264.db2.gz QYWKPVUAVUSOPF-FQEVSTJZSA-N 1 0 360.457 4.338 50 0 FIAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)Nc1ccccc1F ZINC000011704700 570705805 /nfs/dbraw/zinc/70/58/05/570705805.db2.gz OUEQESAOPZSFGS-HNNXBMFYSA-N 1 0 350.503 4.152 50 0 FIAARO Clc1ccc(-c2noc(CN3CCC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000011842811 570709211 /nfs/dbraw/zinc/70/92/11/570709211.db2.gz ZXZBLGKNYLXKGL-MRXNPFEDSA-N 1 0 374.916 4.088 50 0 FIAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000011843566 570709691 /nfs/dbraw/zinc/70/96/91/570709691.db2.gz WADJYDIPQORDGU-UHFFFAOYSA-N 1 0 365.851 4.435 50 0 FIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C1CCCCC1 ZINC000011948437 570713136 /nfs/dbraw/zinc/71/31/36/570713136.db2.gz MIKBZTLKAKFARR-SFHVURJKSA-N 1 0 360.517 4.119 50 0 FIAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000011957927 570713419 /nfs/dbraw/zinc/71/34/19/570713419.db2.gz KXVKGOHSXLXGLZ-QGZVFWFLSA-N 1 0 356.470 4.149 50 0 FIAARO O=C(NC[C@H]1CCC2(CC[NH+](CC3CCCCC3)CC2)O1)c1ccccc1 ZINC000011970346 570713641 /nfs/dbraw/zinc/71/36/41/570713641.db2.gz QYDBQSKGYYLQOD-OAQYLSRUSA-N 1 0 370.537 4.010 50 0 FIAARO CSc1ccccc1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012093127 570718161 /nfs/dbraw/zinc/71/81/61/570718161.db2.gz DHFYDLGTMYIMLG-LJQANCHMSA-N 1 0 368.546 4.188 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3OC)C2)cc1 ZINC000012112053 570718514 /nfs/dbraw/zinc/71/85/14/570718514.db2.gz ZVCIVTLDAQIOIJ-SFHVURJKSA-N 1 0 353.462 4.189 50 0 FIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CCc1ccccc1Cl ZINC000012157913 570723990 /nfs/dbraw/zinc/72/39/90/570723990.db2.gz QWYFPOZUWLPFAC-GOSISDBHSA-N 1 0 374.887 4.193 50 0 FIAARO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 ZINC000012205486 570727649 /nfs/dbraw/zinc/72/76/49/570727649.db2.gz DMUVFHZYYPBCOC-FQEVSTJZSA-N 1 0 360.517 4.119 50 0 FIAARO COCC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012301348 570733708 /nfs/dbraw/zinc/73/37/08/570733708.db2.gz WNPVBASKELWLSD-UHFFFAOYSA-N 1 0 353.441 4.065 50 0 FIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)cc2)c1 ZINC000012385284 570741004 /nfs/dbraw/zinc/74/10/04/570741004.db2.gz MEXIGCBIHDTHSQ-IBGZPJMESA-N 1 0 352.478 4.421 50 0 FIAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012434707 570745245 /nfs/dbraw/zinc/74/52/45/570745245.db2.gz ABKGTPDMXPMOCQ-UHFFFAOYSA-N 1 0 361.445 4.192 50 0 FIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012448164 570746739 /nfs/dbraw/zinc/74/67/39/570746739.db2.gz LOHJNFDYGMTTSN-IBGZPJMESA-N 1 0 356.469 4.428 50 0 FIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012477104 570748606 /nfs/dbraw/zinc/74/86/06/570748606.db2.gz JGXAJZWNIYQTIT-SFHVURJKSA-N 1 0 352.478 4.067 50 0 FIAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CC12CCCC2 ZINC000012589646 570751898 /nfs/dbraw/zinc/75/18/98/570751898.db2.gz HJCRZKYQIFDCIH-FQEVSTJZSA-N 1 0 372.528 4.119 50 0 FIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012591630 570752349 /nfs/dbraw/zinc/75/23/49/570752349.db2.gz DSFZFXXJVQLURU-IBGZPJMESA-N 1 0 371.521 4.239 50 0 FIAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1Cl ZINC000012595995 570752845 /nfs/dbraw/zinc/75/28/45/570752845.db2.gz GAZVUENXJQDPEU-HNNXBMFYSA-N 1 0 352.931 4.276 50 0 FIAARO C/C=C(\C)C[NH+]1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000012709944 570757909 /nfs/dbraw/zinc/75/79/09/570757909.db2.gz JPTZOGGYISEVBW-JFQJCAQQSA-N 1 0 366.509 4.058 50 0 FIAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000012716778 570758293 /nfs/dbraw/zinc/75/82/93/570758293.db2.gz CZEVABOVEHRQLE-OAQYLSRUSA-N 1 0 368.452 4.075 50 0 FIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccc(SC)cc3)C2)c1 ZINC000012763899 570760688 /nfs/dbraw/zinc/76/06/88/570760688.db2.gz ALKPTTWHEKGGHV-QFIPXVFZSA-N 1 0 371.546 4.234 50 0 FIAARO COc1ccccc1[C@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000012979053 570769881 /nfs/dbraw/zinc/76/98/81/570769881.db2.gz DJDSWWIKWNIZBH-SFHVURJKSA-N 1 0 373.884 4.307 50 0 FIAARO COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000012977112 570770142 /nfs/dbraw/zinc/77/01/42/570770142.db2.gz RRNLZINKIFXBEO-IBGZPJMESA-N 1 0 373.884 4.307 50 0 FIAARO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012987348 570770898 /nfs/dbraw/zinc/77/08/98/570770898.db2.gz VCPLGSDSLJBGFJ-OAQYLSRUSA-N 1 0 368.477 4.260 50 0 FIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3F)c2cc1C ZINC000013001117 570772178 /nfs/dbraw/zinc/77/21/78/570772178.db2.gz GCIVFBJJGQUUHP-UHFFFAOYSA-N 1 0 355.409 4.060 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)CCCC2 ZINC000032719968 570780031 /nfs/dbraw/zinc/78/00/31/570780031.db2.gz DGJYSAOKXMXQJC-UHFFFAOYSA-N 1 0 354.519 4.021 50 0 FIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccccc2F)o1 ZINC000032732070 570790645 /nfs/dbraw/zinc/79/06/45/570790645.db2.gz RPLSVKYDAKYWSF-KRWDZBQOSA-N 1 0 364.420 4.090 50 0 FIAARO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)n1C1CC1 ZINC000014126031 570807530 /nfs/dbraw/zinc/80/75/30/570807530.db2.gz TXPMAVSGYGCVHM-UHFFFAOYSA-N 1 0 365.521 4.356 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccsc1 ZINC000032800821 570807984 /nfs/dbraw/zinc/80/79/84/570807984.db2.gz LNRDABYMDPTSGB-HXUWFJFHSA-N 1 0 350.487 4.448 50 0 FIAARO Cc1ccc(NC(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000032814628 570814828 /nfs/dbraw/zinc/81/48/28/570814828.db2.gz NJXQGLPTYOAMJR-LJQANCHMSA-N 1 0 365.477 4.105 50 0 FIAARO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014238425 570814908 /nfs/dbraw/zinc/81/49/08/570814908.db2.gz RDKZWLSCMXBVOZ-UYAOXDASSA-N 1 0 353.487 4.478 50 0 FIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCC2=CCCCC2)c1 ZINC000014884268 570825398 /nfs/dbraw/zinc/82/53/98/570825398.db2.gz QJNAKVYBGZFUKO-FQEVSTJZSA-N 1 0 356.510 4.056 50 0 FIAARO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCCC2)CC[C@@]1(O)c1ccccc1 ZINC000014944125 570826469 /nfs/dbraw/zinc/82/64/69/570826469.db2.gz LNTVSDPXHOIVLW-ISKFKSNPSA-N 1 0 363.501 4.412 50 0 FIAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000014949026 570826529 /nfs/dbraw/zinc/82/65/29/570826529.db2.gz HHHOJEMYGPTUSW-GOSISDBHSA-N 1 0 371.440 4.471 50 0 FIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000015070520 570831637 /nfs/dbraw/zinc/83/16/37/570831637.db2.gz RNWKYFBTJFQPBQ-SFHVURJKSA-N 1 0 353.510 4.121 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)c(OC)c1 ZINC000032906828 570844463 /nfs/dbraw/zinc/84/44/63/570844463.db2.gz BUCVHRHBRHOFOU-RTBURBONSA-N 1 0 361.869 4.228 50 0 FIAARO CCOC(=O)N1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000016078329 570849939 /nfs/dbraw/zinc/84/99/39/570849939.db2.gz QCTTYPNWQMRPRB-UHFFFAOYSA-N 1 0 363.461 4.109 50 0 FIAARO C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C[NH2+][C@@H](c1ccccc1)C(C)(C)C)C2=O ZINC000032911744 570851158 /nfs/dbraw/zinc/85/11/58/570851158.db2.gz MNRPXOCBBMECMK-NUJGCVRESA-N 1 0 371.525 4.068 50 0 FIAARO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984361 570865676 /nfs/dbraw/zinc/86/56/76/570865676.db2.gz OIQOQOYLAIGATN-WOJBJXKFSA-N 1 0 372.896 4.106 50 0 FIAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1ccccc1 ZINC000105050466 570866746 /nfs/dbraw/zinc/86/67/46/570866746.db2.gz QXLUXORXUFTQCC-FYYLOGMGSA-N 1 0 368.521 4.308 50 0 FIAARO Brc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019362862 570887593 /nfs/dbraw/zinc/88/75/93/570887593.db2.gz MIOVUEGDWGUOBJ-UHFFFAOYSA-N 1 0 351.332 4.290 50 0 FIAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000020599157 570920396 /nfs/dbraw/zinc/92/03/96/570920396.db2.gz QMWAYSGEJNJBMV-UHFFFAOYSA-N 1 0 356.429 4.290 50 0 FIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cn(C)c2ccc(OC)cc12 ZINC000021720737 570933898 /nfs/dbraw/zinc/93/38/98/570933898.db2.gz FLXRLNHRDLFGRN-LJQANCHMSA-N 1 0 353.466 4.383 50 0 FIAARO CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(Br)s1 ZINC000022199512 570940914 /nfs/dbraw/zinc/94/09/14/570940914.db2.gz KTYFXKMAMMAEBD-UHFFFAOYSA-N 1 0 367.312 4.361 50 0 FIAARO COc1ccc2cc(C[NH2+]C[C@@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000022928635 570953339 /nfs/dbraw/zinc/95/33/39/570953339.db2.gz JVWTTZPFDHKBOF-NRFANRHFSA-N 1 0 350.462 4.368 50 0 FIAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000023153452 570958007 /nfs/dbraw/zinc/95/80/07/570958007.db2.gz OGXOEPCEVJGBJY-UHFFFAOYSA-N 1 0 361.445 4.192 50 0 FIAARO COc1ccc([C@@H](CNc2ncnc3cc(Cl)ccc32)[NH+](C)C)cc1 ZINC000023200024 570959226 /nfs/dbraw/zinc/95/92/26/570959226.db2.gz QZQSIHUGFLKJOL-GOSISDBHSA-N 1 0 356.857 4.007 50 0 FIAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](C/C=C/c3ccco3)C2)o1 ZINC000023251185 570960960 /nfs/dbraw/zinc/96/09/60/570960960.db2.gz CBRZDSQACKMJGU-PXPSOEEZSA-N 1 0 356.466 4.003 50 0 FIAARO c1c(C[NH2+]CCc2ccccn2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000026303647 571004188 /nfs/dbraw/zinc/00/41/88/571004188.db2.gz JTGVSSQQRNKRON-UHFFFAOYSA-N 1 0 354.457 4.267 50 0 FIAARO CC1CC[NH+]([C@H](CNC(=O)N(C)Cc2ccccc2)c2cccs2)CC1 ZINC000026522093 571006222 /nfs/dbraw/zinc/00/62/22/571006222.db2.gz WPSCCGZZKVGOMA-LJQANCHMSA-N 1 0 371.550 4.363 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027581347 571013931 /nfs/dbraw/zinc/01/39/31/571013931.db2.gz KGYBBQAPZPZHNN-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027793233 571021162 /nfs/dbraw/zinc/02/11/62/571021162.db2.gz BCLDRCXKVCLZJW-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289291 571029597 /nfs/dbraw/zinc/02/95/97/571029597.db2.gz RSDLSTZTZHZNLZ-FQEVSTJZSA-N 1 0 368.521 4.416 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000028291530 571030081 /nfs/dbraw/zinc/03/00/81/571030081.db2.gz JVMREVHFTMUTPV-SFHVURJKSA-N 1 0 372.534 4.025 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296788 571031381 /nfs/dbraw/zinc/03/13/81/571031381.db2.gz GINHOOKSTSSBFI-KRWDZBQOSA-N 1 0 368.908 4.324 50 0 FIAARO Cc1cccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000029092105 571036594 /nfs/dbraw/zinc/03/65/94/571036594.db2.gz SZZYPILNWZTRPP-UHFFFAOYSA-N 1 0 363.505 4.404 50 0 FIAARO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)N2CCc3ccccc32)C2CC2)o1 ZINC000030152793 571045788 /nfs/dbraw/zinc/04/57/88/571045788.db2.gz SNIDRVQYHGVCNS-JXFKEZNVSA-N 1 0 364.489 4.347 50 0 FIAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000030908858 571052607 /nfs/dbraw/zinc/05/26/07/571052607.db2.gz YJGKOHOZCLNSCC-NRFANRHFSA-N 1 0 365.452 4.305 50 0 FIAARO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000225714805 571058480 /nfs/dbraw/zinc/05/84/80/571058480.db2.gz AEAYUWJGVVJONC-ZOBORPQBSA-N 1 0 365.905 4.296 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000012735536 571058570 /nfs/dbraw/zinc/05/85/70/571058570.db2.gz ZJBUYGRBWUEZAH-UHFFFAOYSA-N 1 0 365.473 4.170 50 0 FIAARO CC(C)[C@H](CNC(=O)c1occc1-c1ccccc1)[NH+]1CCC(C)CC1 ZINC000040089260 571074829 /nfs/dbraw/zinc/07/48/29/571074829.db2.gz OBPNLQIODUNFAD-FQEVSTJZSA-N 1 0 354.494 4.433 50 0 FIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccc(Br)s1 ZINC000040090884 571075231 /nfs/dbraw/zinc/07/52/31/571075231.db2.gz FCCKMKJSSUNAQR-UHFFFAOYSA-N 1 0 365.296 4.359 50 0 FIAARO CCOc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1OCC ZINC000072313239 571106864 /nfs/dbraw/zinc/10/68/64/571106864.db2.gz IJRYFTFPKUHPTM-UHFFFAOYSA-N 1 0 356.466 4.106 50 0 FIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2cccs2)CC1 ZINC000033028226 571110122 /nfs/dbraw/zinc/11/01/22/571110122.db2.gz JCFFTYZRURASSE-IBGZPJMESA-N 1 0 371.550 4.017 50 0 FIAARO COc1cccc([C@H]2CC[N@@H+]2Cc2ccc3c4c2cccc4C(=O)OC3)c1 ZINC000244712712 571114974 /nfs/dbraw/zinc/11/49/74/571114974.db2.gz KVEFXRDKQABOLV-OAQYLSRUSA-N 1 0 359.425 4.466 50 0 FIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(CC)Cc2ccccn2)cc1 ZINC000055568755 571120924 /nfs/dbraw/zinc/12/09/24/571120924.db2.gz OUMRVBGNZICBRQ-UHFFFAOYSA-N 1 0 353.510 4.366 50 0 FIAARO C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4ccco4)[NH+](C)C)c32)C1 ZINC000012856387 571129426 /nfs/dbraw/zinc/12/94/26/571129426.db2.gz FXFXNZBMQSIEAG-GXTWGEPZSA-N 1 0 356.495 4.124 50 0 FIAARO CC1(C)C[C@H](C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000252488277 571132581 /nfs/dbraw/zinc/13/25/81/571132581.db2.gz IOMJFEYEJITQGJ-QGZVFWFLSA-N 1 0 370.459 4.028 50 0 FIAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000000938476 571134695 /nfs/dbraw/zinc/13/46/95/571134695.db2.gz FSLBETMIUNCTHO-HXUWFJFHSA-N 1 0 364.489 4.164 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000016477562 571141791 /nfs/dbraw/zinc/14/17/91/571141791.db2.gz QHVHJIIMIVVFAX-OAQYLSRUSA-N 1 0 351.421 4.228 50 0 FIAARO c1cc(-c2ccc(C[N@@H+]3CC[C@H](c4ccnc(-c5ccncc5)c4)C3)o2)n[nH]1 ZINC000067934819 571152143 /nfs/dbraw/zinc/15/21/43/571152143.db2.gz ACWAJEHCZBBWQX-SFHVURJKSA-N 1 0 371.444 4.116 50 0 FIAARO C[NH+](C)CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000257357107 571163710 /nfs/dbraw/zinc/16/37/10/571163710.db2.gz MBIWTVJKSOCVJZ-CUDBPUKSSA-N 1 0 355.522 4.442 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071748162 571164620 /nfs/dbraw/zinc/16/46/20/571164620.db2.gz OOWILWJSTVTCIT-INIZCTEOSA-N 1 0 374.479 4.420 50 0 FIAARO OC1([C@@H](c2ccccc2)c2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000071767140 571166000 /nfs/dbraw/zinc/16/60/00/571166000.db2.gz XMSSNTOXQDWEEK-QHCPKHFHSA-N 1 0 358.485 4.241 50 0 FIAARO CNC(=O)c1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ccc1Cl ZINC000071774437 571166591 /nfs/dbraw/zinc/16/65/91/571166591.db2.gz WYQPGDMALFZUEN-KRWDZBQOSA-N 1 0 372.896 4.147 50 0 FIAARO Clc1cccc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000072138694 571171713 /nfs/dbraw/zinc/17/17/13/571171713.db2.gz VALOMQHFSVSCQK-UHFFFAOYSA-N 1 0 351.881 4.206 50 0 FIAARO CCN(CCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)c1ccccc1 ZINC000012506996 571173121 /nfs/dbraw/zinc/17/31/21/571173121.db2.gz SCMNHLINNMTRHC-UHFFFAOYSA-N 1 0 364.493 4.092 50 0 FIAARO Clc1ccc(CN2CCC[N@H+](Cc3ccncc3)CC2)cc1Cl ZINC000072167304 571177066 /nfs/dbraw/zinc/17/70/66/571177066.db2.gz FMBDKITXFMKLBP-UHFFFAOYSA-N 1 0 350.293 4.096 50 0 FIAARO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000072174196 571177746 /nfs/dbraw/zinc/17/77/46/571177746.db2.gz SIALMLAGMNORRX-SFHVURJKSA-N 1 0 359.514 4.089 50 0 FIAARO C[C@@](O)(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000229810585 571178367 /nfs/dbraw/zinc/17/83/67/571178367.db2.gz JTDMWLQTBXHRFN-RTBURBONSA-N 1 0 364.411 4.099 50 0 FIAARO CC[NH+]1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 ZINC000072419197 571192630 /nfs/dbraw/zinc/19/26/30/571192630.db2.gz RGSAEKSRFMEVOR-UHFFFAOYSA-N 1 0 374.532 4.294 50 0 FIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431744 571195871 /nfs/dbraw/zinc/19/58/71/571195871.db2.gz GCCWZZJIWOJISG-QFIPXVFZSA-N 1 0 369.553 4.340 50 0 FIAARO C[N@H+](CCCSc1ccccc1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299774626 571196733 /nfs/dbraw/zinc/19/67/33/571196733.db2.gz HFSCRSCBKGQNHP-SFHVURJKSA-N 1 0 354.519 4.154 50 0 FIAARO C[C@@H](CNC(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1)c1ccccc1 ZINC000299774604 571196806 /nfs/dbraw/zinc/19/68/06/571196806.db2.gz HMAJVVMEWSBYIO-SFHVURJKSA-N 1 0 373.500 4.344 50 0 FIAARO C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC[N@@H+]1C ZINC000072470306 571198664 /nfs/dbraw/zinc/19/86/64/571198664.db2.gz INDZPRDCWXCUPS-SFHVURJKSA-N 1 0 366.553 4.271 50 0 FIAARO Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000299803049 571203804 /nfs/dbraw/zinc/20/38/04/571203804.db2.gz VNORAMBQOSKQBI-FQEVSTJZSA-N 1 0 366.509 4.437 50 0 FIAARO CN(C)c1ccccc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077355765 571208636 /nfs/dbraw/zinc/20/86/36/571208636.db2.gz CJEJNLYBBBSQIE-OAQYLSRUSA-N 1 0 365.521 4.182 50 0 FIAARO Cc1ccc([C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077425293 571211122 /nfs/dbraw/zinc/21/11/22/571211122.db2.gz WCDSPDZONDTHSS-VCGQAVTDSA-N 1 0 360.501 4.002 50 0 FIAARO Cc1ccc(OC2CCN(C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)cc1 ZINC000077455672 571212233 /nfs/dbraw/zinc/21/22/33/571212233.db2.gz VBOYSWIXGSVNHZ-GOSISDBHSA-N 1 0 370.518 4.165 50 0 FIAARO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)no1 ZINC000077459587 571212579 /nfs/dbraw/zinc/21/25/79/571212579.db2.gz JZYQZGNJAMIQDW-LJQANCHMSA-N 1 0 355.482 4.227 50 0 FIAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccs3)C2)CN1CCc1ccccc1 ZINC000082121471 571228786 /nfs/dbraw/zinc/22/87/86/571228786.db2.gz VMVGJRJBEMTZOO-JOCHJYFZSA-N 1 0 368.546 4.195 50 0 FIAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc(-c3ccco3)cc2)CC1 ZINC000082137330 571229107 /nfs/dbraw/zinc/22/91/07/571229107.db2.gz KABWTJWBYBLJQO-UHFFFAOYSA-N 1 0 361.445 4.003 50 0 FIAARO O=C(NCCCC[C@@H]1CCCO1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426677941 571234811 /nfs/dbraw/zinc/23/48/11/571234811.db2.gz GYWPDMOFWWTQQA-OAQYLSRUSA-N 1 0 358.526 4.142 50 0 FIAARO Fc1ccc(Cl)cc1-c1nc2nccnc2c(Nc2cc[nH+]cc2)n1 ZINC000090485237 571237527 /nfs/dbraw/zinc/23/75/27/571237527.db2.gz BERLXWPRSBJFHO-UHFFFAOYSA-N 1 0 352.760 4.018 50 0 in-vitro FIAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1ccc(Oc3ccccc3)cc1)C2 ZINC000091304924 571238809 /nfs/dbraw/zinc/23/88/09/571238809.db2.gz LLPSEWXMRWDFLW-FUHWJXTLSA-N 1 0 351.450 4.037 50 0 FIAARO Cc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091380677 571239182 /nfs/dbraw/zinc/23/91/82/571239182.db2.gz YTSPCAFIROXFSE-UHFFFAOYSA-N 1 0 358.501 4.281 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169678022 571246990 /nfs/dbraw/zinc/24/69/90/571246990.db2.gz VVFBVXIKWUPQFJ-NFBKMPQASA-N 1 0 355.522 4.482 50 0 FIAARO Cc1oc2c(c1C(=O)N1CCCC[C@@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000065292002 571260502 /nfs/dbraw/zinc/26/05/02/571260502.db2.gz VFFSCYGTWGXTHE-HNNXBMFYSA-N 1 0 370.468 4.300 50 0 FIAARO CC(C)[NH+]1CCN(CCCSc2nc(-c3ccccc3)cs2)CC1 ZINC000170605541 571267318 /nfs/dbraw/zinc/26/73/18/571267318.db2.gz XZSLPJVOQYBOBJ-UHFFFAOYSA-N 1 0 361.580 4.318 50 0 FIAARO C[C@@H]1CC([NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1 ZINC000252479300 571279895 /nfs/dbraw/zinc/27/98/95/571279895.db2.gz BCQJMWVLQQDVBK-OHDICMOHSA-N 1 0 366.546 4.100 50 0 FIAARO FC1(F)CC[C@@H](C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000252481715 571280058 /nfs/dbraw/zinc/28/00/58/571280058.db2.gz CQWWCCSWDIYENR-GDBMZVCRSA-N 1 0 352.473 4.467 50 0 FIAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)C1 ZINC000584891317 571314493 /nfs/dbraw/zinc/31/44/93/571314493.db2.gz AAUYILJNGUDUGC-QGZVFWFLSA-N 1 0 360.860 4.360 50 0 FIAARO Brc1ncc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000253431726 571316456 /nfs/dbraw/zinc/31/64/56/571316456.db2.gz XICXNWZVTHQQCC-DOMZBBRYSA-N 1 0 367.312 4.163 50 0 FIAARO Cn1cc(CN2CC[C@@H]([NH+](C)C)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000020256600 571328698 /nfs/dbraw/zinc/32/86/98/571328698.db2.gz JNHHZLHFEJVJTK-JOCHJYFZSA-N 1 0 366.553 4.271 50 0 FIAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000095381628 571329181 /nfs/dbraw/zinc/32/91/81/571329181.db2.gz YFQWPNVFECATEP-OALUTQOASA-N 1 0 369.534 4.176 50 0 FIAARO COCC[N@H+](C)Cc1ccnc(NCc2ccc(-c3ccccc3F)o2)c1 ZINC000095450111 571329831 /nfs/dbraw/zinc/32/98/31/571329831.db2.gz CHNZJBVXDANGPO-UHFFFAOYSA-N 1 0 369.440 4.171 50 0 FIAARO CCC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756559 571331679 /nfs/dbraw/zinc/33/16/79/571331679.db2.gz AVDNBGWMBOVJHY-YADHBBJMSA-N 1 0 373.924 4.444 50 0 FIAARO c1cc(C[NH2+]C2CCCCC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020942922 571332018 /nfs/dbraw/zinc/33/20/18/571332018.db2.gz IPTZDNYWODUGDC-UHFFFAOYSA-N 1 0 359.543 4.132 50 0 FIAARO CCCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021148702 571333234 /nfs/dbraw/zinc/33/32/34/571333234.db2.gz BJWTXMSEHTUWIB-LJQANCHMSA-N 1 0 358.526 4.346 50 0 FIAARO CCOc1ccc(C2=CC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 ZINC000096003283 571333857 /nfs/dbraw/zinc/33/38/57/571333857.db2.gz JGJSDZMLWNDCPC-UHFFFAOYSA-N 1 0 374.488 4.264 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNc1ncccc1-c1nnc(-c2ccc(C)cc2)o1 ZINC000096339003 571335497 /nfs/dbraw/zinc/33/54/97/571335497.db2.gz IDVCOSFVHXGMBI-KRWDZBQOSA-N 1 0 363.465 4.003 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1 ZINC000021718247 571335904 /nfs/dbraw/zinc/33/59/04/571335904.db2.gz NLPCBJRYXSCGJL-HUUCEWRRSA-N 1 0 365.468 4.187 50 0 FIAARO COc1ccccc1C[C@H](C)[NH2+][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000162767462 571343586 /nfs/dbraw/zinc/34/35/86/571343586.db2.gz HXDBBLASJYQSBK-KXBFYZLASA-N 1 0 366.465 4.058 50 0 FIAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CCC3)nc12 ZINC000182602360 1125574653 /nfs/dbraw/zinc/57/46/53/1125574653.db2.gz OPXINJFSXPFGQK-HXUWFJFHSA-N 1 0 367.880 4.287 50 0 FIAARO Fc1ccc(F)c(C[NH2+]C2CCN(c3ccc(-c4cc[nH]n4)cc3)CC2)c1 ZINC000199816873 1082154432 /nfs/dbraw/zinc/15/44/32/1082154432.db2.gz BDDZQCQTFBRBMA-UHFFFAOYSA-N 1 0 368.431 4.114 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000023373390 1084105410 /nfs/dbraw/zinc/10/54/10/1084105410.db2.gz LWEHSWVSFYNECG-LJQANCHMSA-N 1 0 366.534 4.030 50 0 FIAARO Cc1c[nH+]c(C2CCOCC2)n1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581806542 1084619810 /nfs/dbraw/zinc/61/98/10/1084619810.db2.gz SLGYKWRYFKAQSU-FQEVSTJZSA-N 1 0 373.541 4.219 50 0 FIAARO COc1ccc(C2([NH2+]C[C@@H]3CCCC(F)(F)C3)CCOCC2)cc1F ZINC000888093073 1086750087 /nfs/dbraw/zinc/75/00/87/1086750087.db2.gz IRIMPTAYNVUMDD-CQSZACIVSA-N 1 0 357.416 4.255 50 0 FIAARO OCc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1 ZINC000020540029 1089679570 /nfs/dbraw/zinc/67/95/70/1089679570.db2.gz GHCGUFJESNLAMB-UHFFFAOYSA-N 1 0 373.452 4.263 50 0 FIAARO Cc1ccc(C[N@@H+]2CC3(C[C@H]2COc2ccncc2)CCCCC3)nc1 ZINC000257187868 1090303644 /nfs/dbraw/zinc/30/36/44/1090303644.db2.gz CPDTYCRVBONUFV-FQEVSTJZSA-N 1 0 351.494 4.389 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000257190053 1090318969 /nfs/dbraw/zinc/31/89/69/1090318969.db2.gz KZQRIHFKCWKXEF-UHFFFAOYSA-N 1 0 363.505 4.354 50 0 FIAARO CCCN(CC1CC1)C(=O)[C@@H]1OCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675011675 1090887362 /nfs/dbraw/zinc/88/73/62/1090887362.db2.gz VUHURKHRKWYWDV-FCHUYYIVSA-N 1 0 370.537 4.020 50 0 FIAARO O=S(=O)(/C=C\c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000096873028 1111737151 /nfs/dbraw/zinc/73/71/51/1111737151.db2.gz IJFAVMLTJGYTNG-VKAVYKQESA-N 1 0 356.491 4.480 50 0 FIAARO COc1cccc([C@@H](C)[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000081670201 1113213498 /nfs/dbraw/zinc/21/34/98/1113213498.db2.gz BYMLOKFFUFOEPZ-OAHLLOKOSA-N 1 0 364.449 4.081 50 0 FIAARO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150742405 1114102144 /nfs/dbraw/zinc/10/21/44/1114102144.db2.gz FOLDRJILZGFYHJ-GOSISDBHSA-N 1 0 356.441 4.176 50 0 FIAARO CCCOc1ccc(/C=C/C(=O)OCCC[NH2+]C(C)(C)C)cc1OCC ZINC000084758607 1115522399 /nfs/dbraw/zinc/52/23/99/1115522399.db2.gz AGQXOENVOVMUAH-ZRDIBKRKSA-N 1 0 363.498 4.209 50 0 FIAARO COc1ccc2sc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c(C)c2c1 ZINC000173713264 1116270867 /nfs/dbraw/zinc/27/08/67/1116270867.db2.gz ONPMETHUCSGDHY-UHFFFAOYSA-N 1 0 372.534 4.166 50 0 FIAARO Clc1ccccc1CN1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000463163137 1117990709 /nfs/dbraw/zinc/99/07/09/1117990709.db2.gz RDISANHRYSGWSQ-HXUWFJFHSA-N 1 0 369.940 4.173 50 0 FIAARO C[C@H](NCc1ncc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000180247588 1124273350 /nfs/dbraw/zinc/27/33/50/1124273350.db2.gz YJIZNOFILDOFBQ-LBPRGKRZSA-N 1 0 364.276 4.366 50 0 FIAARO COc1cc(C[NH2+]C2CCCC2)cc(OC)c1OCc1cccc(F)c1 ZINC000299789993 203772321 /nfs/dbraw/zinc/77/23/21/203772321.db2.gz AVNBRMRDHCCQEV-UHFFFAOYSA-N 1 0 359.441 4.454 50 0 FIAARO O=C(c1ccccc1)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698197 203932776 /nfs/dbraw/zinc/93/27/76/203932776.db2.gz BEOOZJXLEMYVEV-RBBKRZOGSA-N 1 0 366.480 4.167 50 0 FIAARO Cc1nn2c(nc(C(C)(C)C)cc2NCCC[NH+](C)C)c1-c1ccccc1 ZINC000002430106 204039086 /nfs/dbraw/zinc/03/90/86/204039086.db2.gz FYHJCXOMAWXZDC-UHFFFAOYSA-N 1 0 365.525 4.366 50 0 FIAARO O=C(c1ccc(Br)c(F)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515568 204042071 /nfs/dbraw/zinc/04/20/71/204042071.db2.gz KPQWNNZFDLFGCK-UHFFFAOYSA-N 1 0 362.242 4.415 50 0 FIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCOC(=O)c1ccccc1 ZINC000002015039 204023533 /nfs/dbraw/zinc/02/35/33/204023533.db2.gz CJAVTWRYCDNHSM-AWEZNQCLSA-N 1 0 351.368 4.083 50 0 world FIAARO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002388720 204036188 /nfs/dbraw/zinc/03/61/88/204036188.db2.gz RUZLWXFDGJEGSC-QFIPXVFZSA-N 1 0 373.924 4.172 50 0 FIAARO O[C@H](c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000002877806 204065368 /nfs/dbraw/zinc/06/53/68/204065368.db2.gz IUOKAJBTLLBDLO-ISJGIBHGSA-N 1 0 373.496 4.130 50 0 FIAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000002908094 204066096 /nfs/dbraw/zinc/06/60/96/204066096.db2.gz OXSJZCABCYZGKM-UHFFFAOYSA-N 1 0 356.297 4.476 50 0 FIAARO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000002661981 204050327 /nfs/dbraw/zinc/05/03/27/204050327.db2.gz XDHLIZFUNBHEKF-QTGUNEKASA-N 1 0 353.506 4.194 50 0 FIAARO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000002765129 204055411 /nfs/dbraw/zinc/05/54/11/204055411.db2.gz UYXWREBYZQBSEA-UHFFFAOYSA-N 1 0 361.283 4.300 50 0 FIAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864455 204112023 /nfs/dbraw/zinc/11/20/23/204112023.db2.gz ZQLSTGALJGDIEY-RXXSEBCPSA-N 1 0 357.538 4.236 50 0 FIAARO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc(Br)cc1 ZINC000003401566 204097744 /nfs/dbraw/zinc/09/77/44/204097744.db2.gz DHAMFUBSTHXWDX-MRXNPFEDSA-N 1 0 358.320 4.091 50 0 FIAARO CC[NH+](CC)CCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000003589504 204107108 /nfs/dbraw/zinc/10/71/08/204107108.db2.gz GQZMHEHIUIBAJG-UHFFFAOYSA-N 1 0 371.916 4.420 50 0 FIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(F)cc3)n2CCOC)cc1 ZINC000004679432 204153726 /nfs/dbraw/zinc/15/37/26/204153726.db2.gz NRWLAKGAGBVQFD-UHFFFAOYSA-N 1 0 369.440 4.346 50 0 FIAARO Cc1ccc(NC(=S)NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000004683348 204155210 /nfs/dbraw/zinc/15/52/10/204155210.db2.gz LLJBGGAIUMJLND-ZWKOTPCHSA-N 1 0 353.535 4.365 50 0 FIAARO Cc1ccccc1OCCOCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832793 204168292 /nfs/dbraw/zinc/16/82/92/204168292.db2.gz ODYADKKPGPURRE-UHFFFAOYSA-N 1 0 353.506 4.345 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000004334509 204133839 /nfs/dbraw/zinc/13/38/39/204133839.db2.gz BRZHLGKODJQLIE-UHFFFAOYSA-N 1 0 367.880 4.216 50 0 FIAARO Cc1cc2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c(C)c1 ZINC000004332944 204134607 /nfs/dbraw/zinc/13/46/07/204134607.db2.gz CRHIQHNPQSOTFV-UHFFFAOYSA-N 1 0 361.489 4.179 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(cccc2C)s1 ZINC000004359464 204135625 /nfs/dbraw/zinc/13/56/25/204135625.db2.gz LHOPMEYDRICKGA-UHFFFAOYSA-N 1 0 357.479 4.186 50 0 FIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1Cl ZINC000004510522 204143367 /nfs/dbraw/zinc/14/33/67/204143367.db2.gz PTRSIXQLPFTGCU-KRWDZBQOSA-N 1 0 361.869 4.196 50 0 FIAARO CC(C)c1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCCC2 ZINC000004863210 204170490 /nfs/dbraw/zinc/17/04/90/204170490.db2.gz DDJLGLCDBQLKMT-UHFFFAOYSA-N 1 0 369.538 4.215 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000004927685 204177073 /nfs/dbraw/zinc/17/70/73/204177073.db2.gz SDLXULNZSDDLHI-SFHVURJKSA-N 1 0 367.518 4.492 50 0 FIAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1Cl ZINC000005019682 204184971 /nfs/dbraw/zinc/18/49/71/204184971.db2.gz JACSZQORJLRLOR-QGZVFWFLSA-N 1 0 361.869 4.196 50 0 FIAARO CC[NH+](CC)CCCN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051263 204187946 /nfs/dbraw/zinc/18/79/46/204187946.db2.gz MUBCHLCXLIJPIL-UHFFFAOYSA-N 1 0 358.507 4.111 50 0 FIAARO C[C@@H]1CCc2c(C(=O)NCCC[N@H+](C)Cc3ccccc3)csc2C1 ZINC000005070259 204191074 /nfs/dbraw/zinc/19/10/74/204191074.db2.gz NRBLZSDHSRIEPP-MRXNPFEDSA-N 1 0 356.535 4.125 50 0 FIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 ZINC000005093577 204191264 /nfs/dbraw/zinc/19/12/64/204191264.db2.gz QOYKGDXYXGESTA-HXUWFJFHSA-N 1 0 365.452 4.181 50 0 FIAARO CCOCCC[NH2+]C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000006537354 204251985 /nfs/dbraw/zinc/25/19/85/204251985.db2.gz OKAAAOOABNJQNS-IBGZPJMESA-N 1 0 365.558 4.156 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000006992404 204284775 /nfs/dbraw/zinc/28/47/75/204284775.db2.gz NKBDKKGCNZKNES-UHFFFAOYSA-N 1 0 360.457 4.471 50 0 FIAARO CC(C)c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000006767736 204268433 /nfs/dbraw/zinc/26/84/33/204268433.db2.gz GVKCAVWISQABPN-UHFFFAOYSA-N 1 0 367.522 4.058 50 0 FIAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000006877591 204278081 /nfs/dbraw/zinc/27/80/81/204278081.db2.gz ZXAPGCDZVHMFRX-UHFFFAOYSA-N 1 0 355.482 4.415 50 0 FIAARO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000007637264 204301786 /nfs/dbraw/zinc/30/17/86/204301786.db2.gz MASGOVICBCENKJ-INIZCTEOSA-N 1 0 351.878 4.068 50 0 FIAARO Cc1ccc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000007677645 204302833 /nfs/dbraw/zinc/30/28/33/204302833.db2.gz HYVLXIRRFMXOAY-UHFFFAOYSA-N 1 0 368.546 4.176 50 0 FIAARO O=C(Cn1c2ccccc2nc1NCc1ccccc1)Nc1ccccc1 ZINC000007737876 204305193 /nfs/dbraw/zinc/30/51/93/204305193.db2.gz PUZLFTBRPCJSKJ-UHFFFAOYSA-N 1 0 356.429 4.287 50 0 FIAARO Cc1cc(C)n(CCC[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)n1 ZINC000007736188 204306060 /nfs/dbraw/zinc/30/60/60/204306060.db2.gz XHWHYUZITLXBAF-UHFFFAOYSA-N 1 0 370.522 4.024 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000007828466 204309361 /nfs/dbraw/zinc/30/93/61/204309361.db2.gz POKCNGHSZYHBQE-UHFFFAOYSA-N 1 0 374.912 4.185 50 0 FIAARO O=C(Cc1coc2ccc3ccccc3c12)NCCC[NH+]1CCCCC1 ZINC000008278918 204325188 /nfs/dbraw/zinc/32/51/88/204325188.db2.gz WCAXNMWSPHDGTQ-UHFFFAOYSA-N 1 0 350.462 4.121 50 0 FIAARO c1csc([C@@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000008342613 204327421 /nfs/dbraw/zinc/32/74/21/204327421.db2.gz COGQAKNGULDSEP-CQSZACIVSA-N 1 0 370.547 4.491 50 0 FIAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008328999 204327938 /nfs/dbraw/zinc/32/79/38/204327938.db2.gz LVPYIAZWVJZZBR-KSSFIOAISA-N 1 0 356.491 4.239 50 0 FIAARO C[C@@H]1Oc2c(cccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1C ZINC000008389202 204329869 /nfs/dbraw/zinc/32/98/69/204329869.db2.gz RPJZVWPRBTXCKE-SJORKVTESA-N 1 0 364.489 4.097 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3c(C)cccc3C)C2)cc1 ZINC000008614033 204336560 /nfs/dbraw/zinc/33/65/60/204336560.db2.gz UBYCDPLSJDDCLZ-HXUWFJFHSA-N 1 0 351.494 4.255 50 0 FIAARO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000007546224 204300446 /nfs/dbraw/zinc/30/04/46/204300446.db2.gz UWIONZDQQKLGDV-WRELSGSFSA-N 1 0 352.522 4.201 50 0 FIAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]C(C)(C)C ZINC000009313926 204362264 /nfs/dbraw/zinc/36/22/64/204362264.db2.gz UMESZIXHOXFEMM-UHFFFAOYSA-N 1 0 374.506 4.227 50 0 FIAARO Cc1nc(-c2ccccc2)nc(SCC[NH+]2CCCCC2)c1[C@@H](C)O ZINC000009340827 204365111 /nfs/dbraw/zinc/36/51/11/204365111.db2.gz RYISELPWWYFGEK-MRXNPFEDSA-N 1 0 357.523 4.083 50 0 FIAARO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)n1C1CC1 ZINC000009390341 204367366 /nfs/dbraw/zinc/36/73/66/204367366.db2.gz PKNBUBJFDHKKMW-UHFFFAOYSA-N 1 0 357.542 4.358 50 0 FIAARO CN(C)C(=O)C1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000008751856 204343934 /nfs/dbraw/zinc/34/39/34/204343934.db2.gz PDCRCFKDCDWYMK-UHFFFAOYSA-N 1 0 361.489 4.135 50 0 FIAARO Cc1nc(-c2ccsc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011422902 204407924 /nfs/dbraw/zinc/40/79/24/204407924.db2.gz PKIKOCMRFZKTJQ-UHFFFAOYSA-N 1 0 363.552 4.219 50 0 FIAARO COc1cc(C[NH2+]CCc2c(C)[nH]c3ccc(C)cc32)cc(OC)c1OC ZINC000036657728 204382313 /nfs/dbraw/zinc/38/23/13/204382313.db2.gz QWURTZMEUXXQSW-UHFFFAOYSA-N 1 0 368.477 4.143 50 0 FIAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000009942216 204386969 /nfs/dbraw/zinc/38/69/69/204386969.db2.gz GFMMSTSVPQXSAH-UHFFFAOYSA-N 1 0 362.477 4.202 50 0 FIAARO CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CC1 ZINC000010216972 204391596 /nfs/dbraw/zinc/39/15/96/204391596.db2.gz IPJKGMSJBOUDHU-KRWDZBQOSA-N 1 0 361.486 4.482 50 0 FIAARO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1 ZINC000010314010 204394335 /nfs/dbraw/zinc/39/43/35/204394335.db2.gz YXZACMVFPBVIEK-UHFFFAOYSA-N 1 0 365.477 4.041 50 0 FIAARO COCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012432169 204462405 /nfs/dbraw/zinc/46/24/05/204462405.db2.gz CEGPECFSAHAPTB-UHFFFAOYSA-N 1 0 373.859 4.458 50 0 FIAARO C[C@H]1Oc2c(cccc2C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000014252464 204578676 /nfs/dbraw/zinc/57/86/76/204578676.db2.gz CROBDJARIVZMTP-IAGOWNOFSA-N 1 0 364.489 4.097 50 0 FIAARO Fc1ccc(-c2nnc(C[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000016474651 204635319 /nfs/dbraw/zinc/63/53/19/204635319.db2.gz NYMYFQBKBZQQTC-UHFFFAOYSA-N 1 0 351.425 4.330 50 0 FIAARO Fc1ccccc1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000017317858 204654115 /nfs/dbraw/zinc/65/41/15/204654115.db2.gz RODFGNSVIXLPSA-UHFFFAOYSA-N 1 0 372.447 4.406 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1c(C)noc1-c1ccc(C(C)(C)C)cc1 ZINC000022350236 204776095 /nfs/dbraw/zinc/77/60/95/204776095.db2.gz AEJJTYLFDNPLRL-UHFFFAOYSA-N 1 0 371.525 4.409 50 0 FIAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)c1 ZINC000027584378 204865467 /nfs/dbraw/zinc/86/54/67/204865467.db2.gz UUCMRMORDACGQJ-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)o1 ZINC000036097647 205003719 /nfs/dbraw/zinc/00/37/19/205003719.db2.gz YKKBJBOQEWFKJR-FQEVSTJZSA-N 1 0 351.446 4.030 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)c(C)c1 ZINC000036098988 205004715 /nfs/dbraw/zinc/00/47/15/205004715.db2.gz UJGDGOGPPIPZDS-JOCHJYFZSA-N 1 0 359.485 4.231 50 0 FIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2ccccc2C)cc1 ZINC000036100054 205004736 /nfs/dbraw/zinc/00/47/36/205004736.db2.gz KHGLDQSGMNHWSV-NRFANRHFSA-N 1 0 371.521 4.292 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000036104420 205005008 /nfs/dbraw/zinc/00/50/08/205005008.db2.gz IBFCHTYEITWLEP-JOCHJYFZSA-N 1 0 365.473 4.168 50 0 FIAARO CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103915 205005530 /nfs/dbraw/zinc/00/55/30/205005530.db2.gz KLPWZWVACUNQKZ-FQEVSTJZSA-N 1 0 355.478 4.195 50 0 FIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccco2)s1 ZINC000036101652 205005639 /nfs/dbraw/zinc/00/56/39/205005639.db2.gz LPFOBFSAWSQZFJ-KRWDZBQOSA-N 1 0 351.512 4.075 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036104679 205005776 /nfs/dbraw/zinc/00/57/76/205005776.db2.gz MPIULADRAMKCAJ-QFIPXVFZSA-N 1 0 359.485 4.170 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccccc1C ZINC000036345714 205011088 /nfs/dbraw/zinc/01/10/88/205011088.db2.gz SAJSRVAHGOWJGZ-OAQYLSRUSA-N 1 0 367.468 4.154 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(C)ccc1C ZINC000036344593 205011227 /nfs/dbraw/zinc/01/12/27/205011227.db2.gz NTQJOQHEOMLIJG-JOCHJYFZSA-N 1 0 363.505 4.323 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040099169 205054091 /nfs/dbraw/zinc/05/40/91/205054091.db2.gz TWSVGDAGKXUJQG-CQSZACIVSA-N 1 0 367.902 4.143 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040099167 205054756 /nfs/dbraw/zinc/05/47/56/205054756.db2.gz TWSVGDAGKXUJQG-AWEZNQCLSA-N 1 0 367.902 4.143 50 0 FIAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000042340563 205096256 /nfs/dbraw/zinc/09/62/56/205096256.db2.gz NPVOLPQSGGFECB-SUMWQHHRSA-N 1 0 350.915 4.393 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000044856345 205113229 /nfs/dbraw/zinc/11/32/29/205113229.db2.gz HMHAIMJZKOQHTP-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000044932991 205115352 /nfs/dbraw/zinc/11/53/52/205115352.db2.gz XHUGOSZPOPNDPT-HSZRJFAPSA-N 1 0 362.517 4.401 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000044934138 205116208 /nfs/dbraw/zinc/11/62/08/205116208.db2.gz XWJIGYUXUIEOPI-QGZVFWFLSA-N 1 0 354.469 4.224 50 0 FIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000044936257 205116438 /nfs/dbraw/zinc/11/64/38/205116438.db2.gz FVAAPUSTEYKBQE-QFIPXVFZSA-N 1 0 366.505 4.175 50 0 FIAARO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052537346 205185187 /nfs/dbraw/zinc/18/51/87/205185187.db2.gz MWXGRPSQVCXCLA-UHFFFAOYSA-N 1 0 360.738 4.226 50 0 FIAARO CC(=O)Nc1ccc(C[NH2+]Cc2cccnc2Oc2ccccc2C)cc1 ZINC000055090311 205205927 /nfs/dbraw/zinc/20/59/27/205205927.db2.gz BPBJXIWUKCHKNX-UHFFFAOYSA-N 1 0 361.445 4.431 50 0 FIAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 ZINC000055102522 205206977 /nfs/dbraw/zinc/20/69/77/205206977.db2.gz FUJKWEFCYFAJOL-NRFANRHFSA-N 1 0 367.424 4.172 50 0 FIAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055167975 205209214 /nfs/dbraw/zinc/20/92/14/205209214.db2.gz MNQWFOJVSUUBFO-CYBMUJFWSA-N 1 0 355.413 4.084 50 0 FIAARO CCOc1ccccc1CN(C(=O)c1ccc(C[NH+]2CCCC2)o1)C1CC1 ZINC000055199383 205209755 /nfs/dbraw/zinc/20/97/55/205209755.db2.gz YWGMYIRIFWSVAK-UHFFFAOYSA-N 1 0 368.477 4.079 50 0 FIAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055167973 205210067 /nfs/dbraw/zinc/21/00/67/205210067.db2.gz MNQWFOJVSUUBFO-ZDUSSCGKSA-N 1 0 355.413 4.084 50 0 FIAARO CSc1ccc(C[N@H+](Cc2cccn2-c2ncccn2)C2CC2)cc1 ZINC000055393250 205217639 /nfs/dbraw/zinc/21/76/39/205217639.db2.gz HRYGKEMAUMYDKG-UHFFFAOYSA-N 1 0 350.491 4.154 50 0 FIAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000058158645 205250520 /nfs/dbraw/zinc/25/05/20/205250520.db2.gz CDLAFVSQMMCIFZ-GOSISDBHSA-N 1 0 356.469 4.343 50 0 FIAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000058377573 205273136 /nfs/dbraw/zinc/27/31/36/205273136.db2.gz SFNOEVJKFLXSJL-QGZVFWFLSA-N 1 0 372.900 4.111 50 0 FIAARO O=C(N1CCc2ccccc21)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000058367160 205273211 /nfs/dbraw/zinc/27/32/11/205273211.db2.gz CGLPYMCZVYGWRO-FQEVSTJZSA-N 1 0 374.406 4.030 50 0 FIAARO Cc1ccn2c(=O)cc(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)nc2c1 ZINC000064590838 205301276 /nfs/dbraw/zinc/30/12/76/205301276.db2.gz LFJKEVWGBJNBFV-UHFFFAOYSA-N 1 0 369.896 4.315 50 0 FIAARO Cc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCCC4)nc3)n2)cc1 ZINC000064676810 205302682 /nfs/dbraw/zinc/30/26/82/205302682.db2.gz RPTLGXPTSSGYQC-UHFFFAOYSA-N 1 0 363.465 4.005 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000058971863 205280134 /nfs/dbraw/zinc/28/01/34/205280134.db2.gz WPGLFWXZMWUNLA-CALCHBBNSA-N 1 0 362.945 4.246 50 0 FIAARO CCCCNC(=O)C1CC[NH+](Cc2c(C)n(CC)c3ccccc23)CC1 ZINC000065060130 205315346 /nfs/dbraw/zinc/31/53/46/205315346.db2.gz NHRGEZYOKSJFLU-UHFFFAOYSA-N 1 0 355.526 4.098 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000065493034 205355347 /nfs/dbraw/zinc/35/53/47/205355347.db2.gz DVQKZXKGFRGZPS-AWEZNQCLSA-N 1 0 354.947 4.057 50 0 FIAARO COc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)c(F)c1 ZINC000065499876 205356129 /nfs/dbraw/zinc/35/61/29/205356129.db2.gz RHZUOAHEEPABCO-GOSISDBHSA-N 1 0 363.436 4.281 50 0 FIAARO Cc1ccc2cc3cc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)oc3nc2c1 ZINC000065331020 205336554 /nfs/dbraw/zinc/33/65/54/205336554.db2.gz RXYSORBOUWOUKW-INIZCTEOSA-N 1 0 365.477 4.141 50 0 FIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccnc2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000065382211 205342670 /nfs/dbraw/zinc/34/26/70/205342670.db2.gz SQFXJVIOTBWRSR-HXUWFJFHSA-N 1 0 367.493 4.113 50 0 FIAARO Fc1cc(F)c(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)cc1F ZINC000065387139 205343386 /nfs/dbraw/zinc/34/33/86/205343386.db2.gz JPTNZRAHLUIAGJ-CQSZACIVSA-N 1 0 357.379 4.386 50 0 FIAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CO)C3)c(C)o2)c2ccccc12 ZINC000067641730 205378337 /nfs/dbraw/zinc/37/83/37/205378337.db2.gz BWZLCBIUPWXDEZ-INIZCTEOSA-N 1 0 366.461 4.016 50 0 FIAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cccnc2Oc2ccc(F)c(F)c2)n1 ZINC000067675261 205381357 /nfs/dbraw/zinc/38/13/57/205381357.db2.gz BZTZSAIURWZRAR-CQSZACIVSA-N 1 0 372.419 4.144 50 0 FIAARO CN(C)C(=O)c1ccc(Oc2cccc(C[NH+]3CCCC3)c2Cl)cc1 ZINC000067965596 205406755 /nfs/dbraw/zinc/40/67/55/205406755.db2.gz GXSMOMVLZPJGDK-UHFFFAOYSA-N 1 0 358.869 4.430 50 0 FIAARO CC/C(C[NH2+]CCc1ccccc1)=C1/N=C(c2ccc(Cl)cc2)OC1=O ZINC000068708720 205411989 /nfs/dbraw/zinc/41/19/89/205411989.db2.gz XGYNQYUUYBVXMC-MNDPQUGUSA-N 1 0 368.864 4.140 50 0 FIAARO OCCCSc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095429053 205755514 /nfs/dbraw/zinc/75/55/14/205755514.db2.gz NWLSRTROSXIFRP-UHFFFAOYSA-N 1 0 356.535 4.238 50 0 FIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(C)cs2)CC1 ZINC000043991061 206062286 /nfs/dbraw/zinc/06/22/86/206062286.db2.gz BJQXIXZJZYAFBJ-UHFFFAOYSA-N 1 0 374.575 4.420 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCCc3ccccc3F)CC2)c1 ZINC000047937390 206079560 /nfs/dbraw/zinc/07/95/60/206079560.db2.gz RMQDMAZLPXIMGE-UHFFFAOYSA-N 1 0 368.496 4.013 50 0 FIAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000048355136 206084326 /nfs/dbraw/zinc/08/43/26/206084326.db2.gz CSFOQCAYWVGZGW-UHFFFAOYSA-N 1 0 365.304 4.304 50 0 FIAARO [NH3+]C1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000237842884 206109704 /nfs/dbraw/zinc/10/97/04/206109704.db2.gz QPDYCLPNMSHTHM-UHFFFAOYSA-N 1 0 363.383 4.012 50 0 FIAARO COC(=O)c1c(-c2ccccc2)csc1NC(=O)CC[NH+]1CCCCC1 ZINC000001096566 206144811 /nfs/dbraw/zinc/14/48/11/206144811.db2.gz LOFUTDVMRAVHPS-UHFFFAOYSA-N 1 0 372.490 4.016 50 0 FIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)sc2c1 ZINC000004359108 206174724 /nfs/dbraw/zinc/17/47/24/206174724.db2.gz BIOPPQFYVIWKKL-VQHVLOKHSA-N 1 0 371.531 4.274 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1cccc(F)c1)c1nc2ccccc2s1 ZINC000004585304 206179573 /nfs/dbraw/zinc/17/95/73/206179573.db2.gz GEPRZUHRZQUZOM-UHFFFAOYSA-N 1 0 371.481 4.424 50 0 FIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000007360338 206208927 /nfs/dbraw/zinc/20/89/27/206208927.db2.gz KSDWYJXAZZDUOK-GOSISDBHSA-N 1 0 355.507 4.124 50 0 FIAARO C[C@@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccc(OC2CCOCC2)cc1 ZINC000153359837 206212801 /nfs/dbraw/zinc/21/28/01/206212801.db2.gz XVNAETBWZDOXNI-GOSISDBHSA-N 1 0 368.521 4.204 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc(Cl)cc1 ZINC000104268723 206231399 /nfs/dbraw/zinc/23/13/99/206231399.db2.gz NFZGAICDILYENF-IEBWSBKVSA-N 1 0 355.869 4.488 50 0 FIAARO O=C1C[C@@H]([C@H]2CCCC[N@H+]2CCCCc2cccc(C(F)(F)F)c2)CN1 ZINC000170616064 206274760 /nfs/dbraw/zinc/27/47/60/206274760.db2.gz URJRLVCQLWPCSP-SJLPKXTDSA-N 1 0 368.443 4.019 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000011027683 206283302 /nfs/dbraw/zinc/28/33/02/206283302.db2.gz WNWIUOAXCMPMNI-INIZCTEOSA-N 1 0 368.424 4.334 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000012355614 206290672 /nfs/dbraw/zinc/29/06/72/206290672.db2.gz ZZXWULKBDOICDA-IBGZPJMESA-N 1 0 358.507 4.102 50 0 FIAARO CC(C)(C)n1c[n+](-c2ccc(Br)cc2)c(-c2ccccc2)n1 ZINC000012551160 206293893 /nfs/dbraw/zinc/29/38/93/206293893.db2.gz IJTVKWHWVUVWFZ-UHFFFAOYSA-N 1 0 357.275 4.344 50 0 FIAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1c[nH]nc1-c1ccccc1 ZINC000215938694 206351329 /nfs/dbraw/zinc/35/13/29/206351329.db2.gz QSSVCYKGMKHPLS-UHFFFAOYSA-N 1 0 366.534 4.366 50 0 FIAARO O[C@H]1CCC[N@H+](Cc2ccccc2OCc2c(F)cccc2Cl)CC1 ZINC000215858315 206352612 /nfs/dbraw/zinc/35/26/12/206352612.db2.gz PHRDAEUNOFAGMX-INIZCTEOSA-N 1 0 363.860 4.405 50 0 FIAARO CC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000022620356 206387371 /nfs/dbraw/zinc/38/73/71/206387371.db2.gz WDMSZBJXFVEZBV-YADHBBJMSA-N 1 0 366.505 4.142 50 0 FIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000022089101 206366501 /nfs/dbraw/zinc/36/65/01/206366501.db2.gz BISYYRCOAMRFGY-OAQYLSRUSA-N 1 0 364.493 4.009 50 0 FIAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592756 132371435 /nfs/dbraw/zinc/37/14/35/132371435.db2.gz MVHAMHVVNZVGGD-KRWDZBQOSA-N 1 0 352.507 4.040 50 0 FIAARO Clc1cccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000000757911 132378355 /nfs/dbraw/zinc/37/83/55/132378355.db2.gz CLQAYTJGUAINAW-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO Clc1ccc(OCCC[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000004336815 132386777 /nfs/dbraw/zinc/38/67/77/132386777.db2.gz YWPISZHRLQMGLP-UHFFFAOYSA-N 1 0 369.896 4.412 50 0 FIAARO C[N@H+](Cc1ccccn1)C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048155878 136122939 /nfs/dbraw/zinc/12/29/39/136122939.db2.gz PUZNIGQVCSJPQR-UHFFFAOYSA-N 1 0 364.518 4.306 50 0 FIAARO Clc1nc(N2CC[NH+](CCc3ccccc3)CC2)cc2ccccc21 ZINC000071793387 136141160 /nfs/dbraw/zinc/14/11/60/136141160.db2.gz JBSRMUMWACOIHD-UHFFFAOYSA-N 1 0 351.881 4.253 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000023282966 136152624 /nfs/dbraw/zinc/15/26/24/136152624.db2.gz ANDYRBCVUQXIRS-GOSISDBHSA-N 1 0 366.505 4.041 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000019787190 263376400 /nfs/dbraw/zinc/37/64/00/263376400.db2.gz GSVHNTOXMRMBFW-JOCHJYFZSA-N 1 0 359.517 4.374 50 0 FIAARO CCOc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019872011 520726604 /nfs/dbraw/zinc/72/66/04/520726604.db2.gz GPNXIOHGRPOPIQ-LIRRHRJNSA-N 1 0 363.885 4.349 50 0 FIAARO CCCCc1noc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000248203522 521331857 /nfs/dbraw/zinc/33/18/57/521331857.db2.gz YCNPNNCYPGNXTO-WOJBJXKFSA-N 1 0 368.525 4.041 50 0 FIAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH+](Cc3ccco3)CC2)C1=O ZINC000063845037 534605253 /nfs/dbraw/zinc/60/52/53/534605253.db2.gz RVFOHDXMIJTWMX-UHFFFAOYSA-N 1 0 367.493 4.119 50 0 FIAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000178986232 522089896 /nfs/dbraw/zinc/08/98/96/522089896.db2.gz GIYQHKMBMCBSFJ-CQSZACIVSA-N 1 0 362.395 4.054 50 0 FIAARO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000089905090 522156517 /nfs/dbraw/zinc/15/65/17/522156517.db2.gz IFBKYWDEFIUWPG-INIZCTEOSA-N 1 0 355.478 4.408 50 0 FIAARO CCc1c[nH]nc1C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000020232424 523735839 /nfs/dbraw/zinc/73/58/39/523735839.db2.gz IMQVZWFZYXXSBZ-UHFFFAOYSA-N 1 0 352.507 4.475 50 0 FIAARO COc1cccc2cc(C[NH2+]Cc3ccnc(N4CCCCC4)c3)oc21 ZINC000089471578 524259787 /nfs/dbraw/zinc/25/97/87/524259787.db2.gz SYOVPRNFDHKZCS-UHFFFAOYSA-N 1 0 351.450 4.117 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4ccccc4)C3)C2)o1 ZINC000082121945 524450485 /nfs/dbraw/zinc/45/04/85/524450485.db2.gz JSJLFZQXXYFFLZ-HSZRJFAPSA-N 1 0 366.505 4.035 50 0 FIAARO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N[C@@H](C)c2ccco2)CC1 ZINC000079943962 525440975 /nfs/dbraw/zinc/44/09/75/525440975.db2.gz KWJFAOYSRXQCCS-HNNXBMFYSA-N 1 0 365.477 4.126 50 0 FIAARO CSc1ccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020600161 526004585 /nfs/dbraw/zinc/00/45/85/526004585.db2.gz UIHNSOVDKLVWKP-AWEZNQCLSA-N 1 0 350.491 4.420 50 0 FIAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)cc1 ZINC000091624702 527632696 /nfs/dbraw/zinc/63/26/96/527632696.db2.gz KGGKFPXJSVMOGS-HXUWFJFHSA-N 1 0 365.521 4.081 50 0 FIAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000222129900 568498802 /nfs/dbraw/zinc/49/88/02/568498802.db2.gz IKVXIZPWUWALQD-XJKCOSOUSA-N 1 0 354.466 4.012 50 0 FIAARO O=C1CCC2(CC[NH+](CCCCCF)CC2)CN1CCc1ccccc1 ZINC000091830912 570440255 /nfs/dbraw/zinc/44/02/55/570440255.db2.gz RPCYJMTULSKTMW-UHFFFAOYSA-N 1 0 360.517 4.074 50 0 FIAARO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000011470769 570449362 /nfs/dbraw/zinc/44/93/62/570449362.db2.gz XDYKPDWQBQHKHQ-LPHOPBHVSA-N 1 0 360.498 4.077 50 0 FIAARO CCCc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000095358554 570453129 /nfs/dbraw/zinc/45/31/29/570453129.db2.gz HKSZPVNZYVJTNX-JTHBVZDNSA-N 1 0 362.517 4.376 50 0 FIAARO Fc1ccccc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095359032 570453919 /nfs/dbraw/zinc/45/39/19/570453919.db2.gz UZYYJTSNZHVZEF-MTNREXPMSA-N 1 0 372.434 4.166 50 0 FIAARO CSc1ccc2c(c1)CCN(C(=O)c1ccc([C@@H]3CCC[NH2+]C3)cc1)C2 ZINC000095377163 570457796 /nfs/dbraw/zinc/45/77/96/570457796.db2.gz NZIHFXICAASLKQ-LJQANCHMSA-N 1 0 366.530 4.074 50 0 FIAARO Cc1ccc(F)cc1C(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095506606 570464431 /nfs/dbraw/zinc/46/44/31/570464431.db2.gz FJHNPDCSCHZUGN-LJQANCHMSA-N 1 0 366.480 4.228 50 0 FIAARO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)C1 ZINC000095520855 570467336 /nfs/dbraw/zinc/46/73/36/570467336.db2.gz ARNHWAONLCUMFI-OAQYLSRUSA-N 1 0 353.441 4.052 50 0 FIAARO Cc1ccc(CSc2ccccc2NC(=O)N(C)[C@H]2CC[N@H+](C)C2)cc1 ZINC000096133429 570476368 /nfs/dbraw/zinc/47/63/68/570476368.db2.gz ZOPDDKVAINGTJZ-SFHVURJKSA-N 1 0 369.534 4.455 50 0 FIAARO CN(Cc1cc(C2CC2)on1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000096153927 570477615 /nfs/dbraw/zinc/47/76/15/570477615.db2.gz WNODUZVJQZNEBI-UHFFFAOYSA-N 1 0 368.481 4.202 50 0 FIAARO O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C2CCCC2)CC1 ZINC000097610080 570491230 /nfs/dbraw/zinc/49/12/30/570491230.db2.gz NBVMBLDTQCRGJF-UHFFFAOYSA-N 1 0 372.406 4.115 50 0 FIAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000097696206 570492646 /nfs/dbraw/zinc/49/26/46/570492646.db2.gz XANDZLBCHJRWFY-SFHVURJKSA-N 1 0 368.502 4.086 50 0 FIAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCCC2 ZINC000072303672 570496963 /nfs/dbraw/zinc/49/69/63/570496963.db2.gz XJJFCYJASQTDIW-GOSISDBHSA-N 1 0 368.546 4.221 50 0 FIAARO [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000381071777 570523967 /nfs/dbraw/zinc/52/39/67/570523967.db2.gz PMVUKWUXUVWXEP-ZEQRLZLVSA-N 1 0 358.485 4.192 50 0 FIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3cc(C)ccc3C)c2)C1 ZINC000034670293 570526966 /nfs/dbraw/zinc/52/69/66/570526966.db2.gz PMLXBTIBQYRKGT-IBGZPJMESA-N 1 0 352.478 4.141 50 0 FIAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](CCC(C)C)CC2)c1 ZINC000034683117 570532084 /nfs/dbraw/zinc/53/20/84/570532084.db2.gz XPXPVZKCHAECLN-UHFFFAOYSA-N 1 0 370.493 4.446 50 0 FIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682797 570532325 /nfs/dbraw/zinc/53/23/25/570532325.db2.gz MZYFDUYFJCLXGZ-UHFFFAOYSA-N 1 0 358.507 4.164 50 0 FIAARO Cc1cccc([C@@H]2C[C@H](C(=O)NC3CC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711190 570532602 /nfs/dbraw/zinc/53/26/02/570532602.db2.gz KNEISNJTZDCOMU-UXHICEINSA-N 1 0 366.480 4.018 50 0 FIAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1 ZINC000034740450 570550614 /nfs/dbraw/zinc/55/06/14/570550614.db2.gz AHLMDPORSPYOKC-SIKLNZKXSA-N 1 0 372.484 4.139 50 0 FIAARO CC[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000248170165 570600101 /nfs/dbraw/zinc/60/01/01/570600101.db2.gz VGFSFYLZKDRJLY-VXKWHMMOSA-N 1 0 366.505 4.408 50 0 FIAARO O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1ccc(F)cc1Cl)CC2 ZINC000426474398 570606819 /nfs/dbraw/zinc/60/68/19/570606819.db2.gz TYCAYIGASKWDMK-GOSISDBHSA-N 1 0 372.871 4.117 50 0 FIAARO Clc1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000005013402 570618407 /nfs/dbraw/zinc/61/84/07/570618407.db2.gz OPFYPRZIJJSHSD-UHFFFAOYSA-N 1 0 366.288 4.447 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Cc1ccc(Cl)cc1 ZINC000005602537 570631757 /nfs/dbraw/zinc/63/17/57/570631757.db2.gz WBQWVPDUTMEBJJ-UYAOXDASSA-N 1 0 354.881 4.025 50 0 FIAARO Cc1c(-c2ccc(Br)cc2)[n+](=O)c(-c2ccccc2)cn1O ZINC000136262218 570646105 /nfs/dbraw/zinc/64/61/05/570646105.db2.gz ZRANFEJSEZZJBG-UHFFFAOYSA-N 1 0 358.215 4.045 50 0 FIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000011753468 570706107 /nfs/dbraw/zinc/70/61/07/570706107.db2.gz ILPNAIARCHJLLH-MRXNPFEDSA-N 1 0 369.486 4.232 50 0 FIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCCSC)C3)ccc2c1 ZINC000011718533 570706249 /nfs/dbraw/zinc/70/62/49/570706249.db2.gz SBPUJDZDDBIYMF-IBGZPJMESA-N 1 0 357.519 4.496 50 0 FIAARO Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCC[C@@H](CCC(=O)NC2CC2)C1 ZINC000011813827 570707101 /nfs/dbraw/zinc/70/71/01/570707101.db2.gz XTSUFBUROVMEGV-HNNXBMFYSA-N 1 0 373.928 4.401 50 0 FIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000011841398 570709287 /nfs/dbraw/zinc/70/92/87/570709287.db2.gz CSSUDQVRRYNMDI-SFHVURJKSA-N 1 0 353.462 4.107 50 0 FIAARO COCc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)o1 ZINC000011841598 570709378 /nfs/dbraw/zinc/70/93/78/570709378.db2.gz ZGYLHNAJRQGFKP-UHFFFAOYSA-N 1 0 356.466 4.057 50 0 FIAARO CC[N@@H+](Cc1ccc(O)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011873291 570710229 /nfs/dbraw/zinc/71/02/29/570710229.db2.gz NQLJNIURVHLKPA-NRFANRHFSA-N 1 0 370.512 4.308 50 0 FIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000011952563 570713130 /nfs/dbraw/zinc/71/31/30/570713130.db2.gz TZIXTWFYPWIKSP-HNNXBMFYSA-N 1 0 366.436 4.411 50 0 FIAARO OCC1(CCCc2ccccc2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012300029 570733294 /nfs/dbraw/zinc/73/32/94/570733294.db2.gz VYRAMIKABXNAGZ-UHFFFAOYSA-N 1 0 367.489 4.013 50 0 FIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000012306389 570734885 /nfs/dbraw/zinc/73/48/85/570734885.db2.gz XECJISNSNZBORQ-IBGZPJMESA-N 1 0 351.450 4.219 50 0 FIAARO CCC(CC)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012308795 570735311 /nfs/dbraw/zinc/73/53/11/570735311.db2.gz KKBOGDFCDDVVCD-LJQANCHMSA-N 1 0 353.466 4.465 50 0 FIAARO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c(C)c1C ZINC000012430769 570744398 /nfs/dbraw/zinc/74/43/98/570744398.db2.gz VXKHXSDJGAPDJS-IBGZPJMESA-N 1 0 362.477 4.060 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cnn1C ZINC000012432917 570744783 /nfs/dbraw/zinc/74/47/83/570744783.db2.gz NFSLTTIPGOIWIU-LJQANCHMSA-N 1 0 373.500 4.075 50 0 FIAARO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000012438051 570745209 /nfs/dbraw/zinc/74/52/09/570745209.db2.gz BJWRHWDOZDGBLC-IBGZPJMESA-N 1 0 352.478 4.423 50 0 FIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012586554 570751834 /nfs/dbraw/zinc/75/18/34/570751834.db2.gz IIKJLQTYZKNAQX-SFHVURJKSA-N 1 0 358.482 4.358 50 0 FIAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1Cl ZINC000012595993 570752933 /nfs/dbraw/zinc/75/29/33/570752933.db2.gz GAZVUENXJQDPEU-OAHLLOKOSA-N 1 0 352.931 4.276 50 0 FIAARO O=C(C1=CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012715123 570757919 /nfs/dbraw/zinc/75/79/19/570757919.db2.gz QDNDPWNXVRHQLE-QFIPXVFZSA-N 1 0 356.485 4.141 50 0 FIAARO Fc1ccc(/C=C/C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000012715785 570758177 /nfs/dbraw/zinc/75/81/77/570758177.db2.gz LVSVBCWAUMJSFI-ZFDYTMOGSA-N 1 0 360.436 4.358 50 0 FIAARO CSc1ccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc1 ZINC000012717112 570758238 /nfs/dbraw/zinc/75/82/38/570758238.db2.gz YQPVPIKWPWYLTD-UHFFFAOYSA-N 1 0 371.546 4.452 50 0 FIAARO Fc1ccc(/C=C/C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000012715781 570758284 /nfs/dbraw/zinc/75/82/84/570758284.db2.gz LVSVBCWAUMJSFI-WLMDGNKMSA-N 1 0 360.436 4.358 50 0 FIAARO CC(C)(C)C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012745140 570759048 /nfs/dbraw/zinc/75/90/48/570759048.db2.gz FUWDEISISUSTNM-MRXNPFEDSA-N 1 0 364.480 4.071 50 0 FIAARO CC1(C)CC(NC(=O)c2cc(C3CC3)nc3ccccc32)CC(C)(C)[NH2+]1 ZINC000012925551 570767313 /nfs/dbraw/zinc/76/73/13/570767313.db2.gz BBAHMCNQOUKXRQ-UHFFFAOYSA-N 1 0 351.494 4.151 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000012942438 570767917 /nfs/dbraw/zinc/76/79/17/570767917.db2.gz ZRQMLELWWLWDKN-FGZHOGPDSA-N 1 0 364.489 4.026 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2occc2COc2ccccc2)CCCCCC1 ZINC000032703766 570773756 /nfs/dbraw/zinc/77/37/56/570773756.db2.gz IJMHOKHMNWEDJX-UHFFFAOYSA-N 1 0 370.493 4.243 50 0 FIAARO CCc1ccc([C@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+](C)C)cc1 ZINC000032733746 570790580 /nfs/dbraw/zinc/79/05/80/570790580.db2.gz ZLXMQLZRLTUAKM-IBGZPJMESA-N 1 0 368.452 4.475 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000014086434 570804102 /nfs/dbraw/zinc/80/41/02/570804102.db2.gz RUSDDNLWWJTBFF-FCHUYYIVSA-N 1 0 366.505 4.442 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860300 570846582 /nfs/dbraw/zinc/84/65/82/570846582.db2.gz JLCQXCOSPNGLNM-FQEVSTJZSA-N 1 0 370.493 4.190 50 0 FIAARO Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)o1 ZINC000015860266 570846590 /nfs/dbraw/zinc/84/65/90/570846590.db2.gz SOERLYIOMMVLHY-ONUXSRJRSA-N 1 0 356.510 4.058 50 0 FIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCc2ccco2)cc1 ZINC000032908716 570848349 /nfs/dbraw/zinc/84/83/49/570848349.db2.gz IBWNNYUDDWSQMQ-UHFFFAOYSA-N 1 0 362.473 4.257 50 0 FIAARO Cc1cccc(C)c1-n1nnnc1C1(N(C)Cc2ccccc2)CCCC1 ZINC000005748210 570870574 /nfs/dbraw/zinc/87/05/74/570870574.db2.gz BGOJJOUAAGQGFJ-UHFFFAOYSA-N 1 0 361.493 4.180 50 0 FIAARO CC1(C)Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2O1 ZINC000032932423 570872390 /nfs/dbraw/zinc/87/23/90/570872390.db2.gz SUIWYTDJFSYYIL-UHFFFAOYSA-N 1 0 366.461 4.432 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000071946326 570877920 /nfs/dbraw/zinc/87/79/20/570877920.db2.gz NIWMPJLGBVVWCV-YPMHNXCESA-N 1 0 361.338 4.075 50 0 FIAARO CCC[NH+]1CCN([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 ZINC000019359843 570887208 /nfs/dbraw/zinc/88/72/08/570887208.db2.gz HQAFIUQKUPWCCZ-JOCHJYFZSA-N 1 0 365.521 4.011 50 0 FIAARO C(=C/c1ccccc1)\C[NH+](C/C=C/c1ccccc1)CCN1CCOCC1 ZINC000019358850 570887607 /nfs/dbraw/zinc/88/76/07/570887607.db2.gz NUEQDUPUWVDKQU-FNCQTZNRSA-N 1 0 362.517 4.047 50 0 FIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000019842149 570904342 /nfs/dbraw/zinc/90/43/42/570904342.db2.gz UZQXHUBUCWXUHG-MAUKXSAKSA-N 1 0 351.332 4.145 50 0 FIAARO OC(C[NH2+]Cc1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365925 570915019 /nfs/dbraw/zinc/91/50/19/570915019.db2.gz QXCVDEJEBVQMAX-UHFFFAOYSA-N 1 0 357.375 4.130 50 0 FIAARO CN(C)CC[NH2+]CC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 ZINC000020572789 570919586 /nfs/dbraw/zinc/91/95/86/570919586.db2.gz IMRVQAZSRCSPTM-IBGZPJMESA-N 1 0 372.475 4.074 50 0 FIAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH2+]CCc1ccncc1 ZINC000020785051 570925122 /nfs/dbraw/zinc/92/51/22/570925122.db2.gz ZFCIYOHAMKYNQS-UHFFFAOYSA-N 1 0 354.457 4.471 50 0 FIAARO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021720013 570933297 /nfs/dbraw/zinc/93/32/97/570933297.db2.gz JVTIOAXSVQAWJC-IBGZPJMESA-N 1 0 366.465 4.417 50 0 FIAARO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000021835677 570935305 /nfs/dbraw/zinc/93/53/05/570935305.db2.gz PVSYMFXIUKBAGQ-INIZCTEOSA-N 1 0 352.265 4.418 50 0 FIAARO Cc1nc(-c2ccccc2)sc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010818279 570938142 /nfs/dbraw/zinc/93/81/42/570938142.db2.gz CIVYPHMVYFMNHI-UHFFFAOYSA-N 1 0 357.523 4.158 50 0 FIAARO C[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 ZINC000022865454 570951644 /nfs/dbraw/zinc/95/16/44/570951644.db2.gz IKXXECKUUBDKNV-QGZVFWFLSA-N 1 0 362.901 4.475 50 0 FIAARO CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)n1 ZINC000022925904 570953158 /nfs/dbraw/zinc/95/31/58/570953158.db2.gz VANKEYJNTIFONS-HXUWFJFHSA-N 1 0 360.933 4.009 50 0 FIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000022933795 570953771 /nfs/dbraw/zinc/95/37/71/570953771.db2.gz NYNSTQNZNNDBCV-QGZVFWFLSA-N 1 0 364.921 4.021 50 0 FIAARO Fc1cccc(-c2cccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2)c1 ZINC000023159174 570957881 /nfs/dbraw/zinc/95/78/81/570957881.db2.gz MIHLBAXWUQYPHC-UHFFFAOYSA-N 1 0 354.469 4.184 50 0 FIAARO COC[C@@H]1CC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000023368216 570961937 /nfs/dbraw/zinc/96/19/37/570961937.db2.gz BKUSOFIBDHPRJN-GOSISDBHSA-N 1 0 368.496 4.430 50 0 FIAARO O=c1cc(C2CC[NH+](Cc3cccc4c5ccccc5oc43)CC2)nc[nH]1 ZINC000023398098 570963148 /nfs/dbraw/zinc/96/31/48/570963148.db2.gz CDJSGRWPLBQHGK-UHFFFAOYSA-N 1 0 359.429 4.049 50 0 FIAARO Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024115587 570972098 /nfs/dbraw/zinc/97/20/98/570972098.db2.gz BLQUUOKJEIXVTI-SFHVURJKSA-N 1 0 368.546 4.388 50 0 FIAARO NC(=O)c1ccc(C[N@H+](CCc2cccs2)Cc2cccs2)cc1 ZINC000024177470 570972628 /nfs/dbraw/zinc/97/26/28/570972628.db2.gz PVXPEHXKWPMNNF-UHFFFAOYSA-N 1 0 356.516 4.153 50 0 FIAARO CC(=O)c1ccc(-c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)o2)cc1 ZINC000024748669 570980836 /nfs/dbraw/zinc/98/08/36/570980836.db2.gz PQBWDPVIFUCERS-UHFFFAOYSA-N 1 0 368.477 4.188 50 0 FIAARO O=C(NCCCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024980639 570987750 /nfs/dbraw/zinc/98/77/50/570987750.db2.gz DCNOJKJCUMLAPE-UHFFFAOYSA-N 1 0 365.521 4.105 50 0 FIAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000025357572 570994854 /nfs/dbraw/zinc/99/48/54/570994854.db2.gz VGPXCCOLDVANFB-OAQYLSRUSA-N 1 0 364.445 4.484 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000027581755 571014397 /nfs/dbraw/zinc/01/43/97/571014397.db2.gz WXTBONVWSNSMJM-OAQYLSRUSA-N 1 0 366.505 4.351 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)COc1cccc(C)c1)c1ccccc1Cl ZINC000027582304 571014713 /nfs/dbraw/zinc/01/47/13/571014713.db2.gz SQIQAYXAOKGZLS-FQEVSTJZSA-N 1 0 374.912 4.227 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027583061 571015134 /nfs/dbraw/zinc/01/51/34/571015134.db2.gz WROQKXBJICAENS-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO CCCCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000027663300 571017556 /nfs/dbraw/zinc/01/75/56/571017556.db2.gz LBWIPDRVNXQEMP-FQEVSTJZSA-N 1 0 358.526 4.346 50 0 FIAARO O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663744 571017740 /nfs/dbraw/zinc/01/77/40/571017740.db2.gz KGYNDKDDYGZMKE-FQEVSTJZSA-N 1 0 356.897 4.226 50 0 FIAARO O=C(/C=C/c1ccccc1Cl)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037898 571026168 /nfs/dbraw/zinc/02/61/68/571026168.db2.gz ZQYRUXPBIJFIKQ-CMDGGOBGSA-N 1 0 360.910 4.149 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289297 571029602 /nfs/dbraw/zinc/02/96/02/571029602.db2.gz LAEQBXNBSNDRCU-HXUWFJFHSA-N 1 0 368.521 4.090 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292429 571030551 /nfs/dbraw/zinc/03/05/51/571030551.db2.gz LAFLXYFUFPMUCQ-OAQYLSRUSA-N 1 0 352.478 4.042 50 0 FIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000028296719 571030973 /nfs/dbraw/zinc/03/09/73/571030973.db2.gz HCDJNEJOECELJK-NRFANRHFSA-N 1 0 374.528 4.248 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028403163 571031734 /nfs/dbraw/zinc/03/17/34/571031734.db2.gz WUFNJTKIYVFIRU-LJQANCHMSA-N 1 0 372.534 4.025 50 0 FIAARO CC(C)[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC000072286240 571041834 /nfs/dbraw/zinc/04/18/34/571041834.db2.gz BJMGGQYUBRVUHG-OAHLLOKOSA-N 1 0 360.420 4.344 50 0 FIAARO O[C@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 ZINC000001294398 571047998 /nfs/dbraw/zinc/04/79/98/571047998.db2.gz XFLFINVBZKJRQD-FQEVSTJZSA-N 1 0 372.275 4.146 50 0 FIAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000030908857 571052883 /nfs/dbraw/zinc/05/28/83/571052883.db2.gz YDAIRDCLMAMNNQ-OAQYLSRUSA-N 1 0 365.452 4.305 50 0 FIAARO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)cc(C)cc23)cc1OC ZINC000033018763 571060980 /nfs/dbraw/zinc/06/09/80/571060980.db2.gz ZFNUBKZUYQOKRP-UHFFFAOYSA-N 1 0 367.445 4.059 50 0 FIAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018702 571061269 /nfs/dbraw/zinc/06/12/69/571061269.db2.gz FCMKJHGXIOCCSB-UHFFFAOYSA-N 1 0 357.837 4.477 50 0 FIAARO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000225771934 571064435 /nfs/dbraw/zinc/06/44/35/571064435.db2.gz JGVAMICNMZJWNG-QRWLVFNGSA-N 1 0 358.432 4.168 50 0 FIAARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nc(-c3ccccc3Cl)no2)C1 ZINC000072308138 571065546 /nfs/dbraw/zinc/06/55/46/571065546.db2.gz ZEXBWCCNYCWSLU-ORAYPTAESA-N 1 0 363.889 4.057 50 0 FIAARO FC(F)Oc1ccccc1C[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308933 571066975 /nfs/dbraw/zinc/06/69/75/571066975.db2.gz KOZOIHDPAXRPLF-UHFFFAOYSA-N 1 0 350.434 4.440 50 0 FIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1ccccc1 ZINC000032986401 571083127 /nfs/dbraw/zinc/08/31/27/571083127.db2.gz NIJZEVDNERCKDP-IBGZPJMESA-N 1 0 362.498 4.419 50 0 FIAARO CN(Cc1ccc(Br)s1)Cc1nnc(-c2ccccc2)o1 ZINC000069450750 571098139 /nfs/dbraw/zinc/09/81/39/571098139.db2.gz LKKXBJWGVDZPSV-UHFFFAOYSA-N 1 0 364.268 4.193 50 0 FIAARO Cc1ccc(OC[C@H]2CCC[N@H+](Cc3cc(-c4ccncc4)no3)C2)cc1 ZINC000240517152 571108930 /nfs/dbraw/zinc/10/89/30/571108930.db2.gz NVONPABZAVHXJY-SFHVURJKSA-N 1 0 363.461 4.336 50 0 FIAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695639 571114261 /nfs/dbraw/zinc/11/42/61/571114261.db2.gz JPRZLMUYTOFZAQ-OAHLLOKOSA-N 1 0 355.511 4.295 50 0 FIAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2ccc3c4c2cccc4C(=O)OC3)c1 ZINC000244712711 571115029 /nfs/dbraw/zinc/11/50/29/571115029.db2.gz KVEFXRDKQABOLV-NRFANRHFSA-N 1 0 359.425 4.466 50 0 FIAARO COCC[N@H+](Cc1sccc1C)Cc1ccc(Oc2ncccn2)cc1 ZINC000055568646 571120890 /nfs/dbraw/zinc/12/08/90/571120890.db2.gz AGSBSUPASJCEFX-UHFFFAOYSA-N 1 0 369.490 4.287 50 0 FIAARO Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NCC[NH+]1CCCCC1 ZINC000071326662 571121708 /nfs/dbraw/zinc/12/17/08/571121708.db2.gz NSJKZFZDXMKXCN-UHFFFAOYSA-N 1 0 372.538 4.028 50 0 FIAARO O=C(c1ccccc1F)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000893440 571124344 /nfs/dbraw/zinc/12/43/44/571124344.db2.gz LMMQHOADDMEWDH-UHFFFAOYSA-N 1 0 366.480 4.310 50 0 FIAARO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000012849576 571128654 /nfs/dbraw/zinc/12/86/54/571128654.db2.gz XEVXLSKTDGQWIS-AWEZNQCLSA-N 1 0 374.506 4.058 50 0 FIAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000058407673 571132241 /nfs/dbraw/zinc/13/22/41/571132241.db2.gz TUFUQOHALFUMNK-UHFFFAOYSA-N 1 0 358.457 4.278 50 0 FIAARO O=C(CCc1ccc(O)cc1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000252487766 571132719 /nfs/dbraw/zinc/13/27/19/571132719.db2.gz IBIBZHFVAGLXOR-JOCHJYFZSA-N 1 0 366.505 4.058 50 0 FIAARO c1ncn(C2CCCCC2)c1C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000252500619 571133335 /nfs/dbraw/zinc/13/33/35/571133335.db2.gz SZIIRIWXQCGGAL-UHFFFAOYSA-N 1 0 369.513 4.103 50 0 FIAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068891 571141753 /nfs/dbraw/zinc/14/17/53/571141753.db2.gz PXEXXVMRAOACLL-UHFFFAOYSA-N 1 0 367.518 4.047 50 0 FIAARO Cc1ccsc1C[N@@H+](C)Cc1ccc(-c2nc(C)c(C)c(=O)[nH]2)cc1 ZINC000048407764 571143408 /nfs/dbraw/zinc/14/34/08/571143408.db2.gz WBUWMCDLMPSMMN-UHFFFAOYSA-N 1 0 353.491 4.056 50 0 FIAARO CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033069030 571145489 /nfs/dbraw/zinc/14/54/89/571145489.db2.gz YNBMFJAWCOZYOY-UHFFFAOYSA-N 1 0 355.507 4.210 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3cc(C)cc(C)c3)cc(=O)oc2c1 ZINC000012939229 571152162 /nfs/dbraw/zinc/15/21/62/571152162.db2.gz LANHHTSELMGFFM-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO O[C@@H](C[NH2+]Cc1cc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000075093157 571154442 /nfs/dbraw/zinc/15/44/42/571154442.db2.gz NUGABTSPHKGTJO-KRWDZBQOSA-N 1 0 353.224 4.437 50 0 FIAARO Cc1csc(-c2cccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c2)n1 ZINC000075110223 571156137 /nfs/dbraw/zinc/15/61/37/571156137.db2.gz SLJPAXSOSKMZBI-CQSZACIVSA-N 1 0 360.527 4.216 50 0 FIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071404232 571161008 /nfs/dbraw/zinc/16/10/08/571161008.db2.gz VLMCMGSQHSMUDW-SFHVURJKSA-N 1 0 357.469 4.042 50 0 FIAARO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccsc3)cc2)CC1 ZINC000026381602 571162199 /nfs/dbraw/zinc/16/21/99/571162199.db2.gz DEWISMPDYGRAKB-UHFFFAOYSA-N 1 0 371.550 4.322 50 0 FIAARO CC(C)c1noc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071552016 571162923 /nfs/dbraw/zinc/16/29/23/571162923.db2.gz MNJOJZDWXXYSFN-IBGZPJMESA-N 1 0 374.504 4.065 50 0 FIAARO C[NH+](C)CCCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071712013 571163587 /nfs/dbraw/zinc/16/35/87/571163587.db2.gz FYPUSNIXNNVAAJ-MRXNPFEDSA-N 1 0 370.459 4.218 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071761443 571165609 /nfs/dbraw/zinc/16/56/09/571165609.db2.gz ZRMDVLWMNUDNHP-MRXNPFEDSA-N 1 0 374.479 4.420 50 0 FIAARO COc1ccc2ccccc2c1C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072125523 571170290 /nfs/dbraw/zinc/17/02/90/571170290.db2.gz PJVDGHQWBDHACK-UHFFFAOYSA-N 1 0 363.461 4.032 50 0 FIAARO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cnc(-c5ccco5)nc4)C3)nc21 ZINC000072124176 571170371 /nfs/dbraw/zinc/17/03/71/571170371.db2.gz NCZFHMGLJVZGGP-QGZVFWFLSA-N 1 0 373.460 4.301 50 0 FIAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](OCc4ccccn4)C3)c(C)c2c1 ZINC000072162590 571176071 /nfs/dbraw/zinc/17/60/71/571176071.db2.gz ICZMXQHUYKXDDC-IBGZPJMESA-N 1 0 365.477 4.061 50 0 FIAARO Cc1ccccc1CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000072166899 571176764 /nfs/dbraw/zinc/17/67/64/571176764.db2.gz ZEQUMRCZYDVAFP-KRWDZBQOSA-N 1 0 351.450 4.483 50 0 FIAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072168933 571177354 /nfs/dbraw/zinc/17/73/54/571177354.db2.gz CCHMNQQAKQMLOG-INIZCTEOSA-N 1 0 370.459 4.265 50 0 FIAARO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](Nc4ccccc4)C3)n2)cc1F ZINC000229797904 571178375 /nfs/dbraw/zinc/17/83/75/571178375.db2.gz XBIMOBQCOAJXSD-MAUKXSAKSA-N 1 0 366.440 4.432 50 0 FIAARO Cc1ccc(CN2CC[C@@H]([N@@H+](C)[C@H](C)c3nccs3)CCC2=O)cc1 ZINC000019143311 571183429 /nfs/dbraw/zinc/18/34/29/571183429.db2.gz MFISSJLLMSGSHD-AEFFLSMTSA-N 1 0 357.523 4.026 50 0 FIAARO COc1ccc2cc(CN3CCC[N@H+](C)CC3)c(-c3cccs3)nc2c1 ZINC000072410547 571192123 /nfs/dbraw/zinc/19/21/23/571192123.db2.gz TXWUMBQXDIXPLW-UHFFFAOYSA-N 1 0 367.518 4.109 50 0 FIAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc2[nH]ccc2c1 ZINC000299757986 571192411 /nfs/dbraw/zinc/19/24/11/571192411.db2.gz JGCKKBVORPXGKM-SFHVURJKSA-N 1 0 362.477 4.202 50 0 FIAARO Cc1cccc(Oc2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[C@H]4[NH+](C)C)cc2)c1 ZINC000299760187 571193129 /nfs/dbraw/zinc/19/31/29/571193129.db2.gz OJDNRGCYVYIELN-NGRWLJPCSA-N 1 0 364.489 4.200 50 0 FIAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@H](c2cccs2)C2CCCCC2)c1 ZINC000299772080 571195883 /nfs/dbraw/zinc/19/58/83/571195883.db2.gz XPQUJKBJDBMVDM-FQEVSTJZSA-N 1 0 372.534 4.445 50 0 FIAARO CCc1nc(C)c(CNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)s1 ZINC000299772610 571196144 /nfs/dbraw/zinc/19/61/44/571196144.db2.gz ACALPOMSDRZNMB-CQSZACIVSA-N 1 0 361.511 4.084 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cnn1C ZINC000299783017 571198736 /nfs/dbraw/zinc/19/87/36/571198736.db2.gz GVNGYOPCOYXFQS-MRXNPFEDSA-N 1 0 369.900 4.152 50 0 FIAARO COc1ccccc1Oc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000299788050 571199830 /nfs/dbraw/zinc/19/98/30/571199830.db2.gz VYIOMJDIXRGFLQ-MRXNPFEDSA-N 1 0 369.465 4.093 50 0 FIAARO CC(C)c1nccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000072481663 571200103 /nfs/dbraw/zinc/20/01/03/571200103.db2.gz LWZSNCQRGTZTBO-QNWVGRARSA-N 1 0 365.521 4.252 50 0 FIAARO COc1ccccc1-c1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000072950143 571200394 /nfs/dbraw/zinc/20/03/94/571200394.db2.gz RVQDWJWFAICCTH-RBUKOAKNSA-N 1 0 365.477 4.063 50 0 FIAARO Cc1cccc(-c2cc(C(=O)NC3CC(C)(C)[NH+](C)C(C)(C)C3)no2)c1 ZINC000022342378 571201935 /nfs/dbraw/zinc/20/19/35/571201935.db2.gz CKFHZEGMZUYTFK-UHFFFAOYSA-N 1 0 355.482 4.031 50 0 FIAARO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000097164391 571205454 /nfs/dbraw/zinc/20/54/54/571205454.db2.gz KNEFLGGCODCPKI-KRWDZBQOSA-N 1 0 350.422 4.471 50 0 FIAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319936 571207148 /nfs/dbraw/zinc/20/71/48/571207148.db2.gz GLYZHKCKDAZMIP-LJQANCHMSA-N 1 0 350.466 4.062 50 0 FIAARO CC[C@H]1COCCN1C(=O)c1cc(C[NH+](CC)CC)oc1-c1ccccc1 ZINC000077338606 571207825 /nfs/dbraw/zinc/20/78/25/571207825.db2.gz IRVGAYXQSJEMDY-SFHVURJKSA-N 1 0 370.493 4.039 50 0 FIAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000077506035 571214362 /nfs/dbraw/zinc/21/43/62/571214362.db2.gz VMEVWKVACZYXPF-INIZCTEOSA-N 1 0 356.495 4.353 50 0 FIAARO Cc1cc(-c2cccc(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)c2)cc(C)c1O ZINC000426389200 571218778 /nfs/dbraw/zinc/21/87/78/571218778.db2.gz CNMCAVQHMMTHIE-NRFANRHFSA-N 1 0 366.505 4.232 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)N1CCC(F)(F)CC1 ZINC000426406342 571221209 /nfs/dbraw/zinc/22/12/09/571221209.db2.gz VBLOLISTIMCPKX-GOSISDBHSA-N 1 0 365.468 4.044 50 0 FIAARO Cc1nc(C[N@@H+]2CCC[C@@H](Nc3ccc(Cl)cn3)CC2)c2ccccn12 ZINC000082097023 571228135 /nfs/dbraw/zinc/22/81/35/571228135.db2.gz QXAOFLNTAPYCAC-QGZVFWFLSA-N 1 0 369.900 4.158 50 0 FIAARO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cc1Cl ZINC000097082217 571231526 /nfs/dbraw/zinc/23/15/26/571231526.db2.gz PITJSIYFBMZVMN-HNNXBMFYSA-N 1 0 368.868 4.123 50 0 FIAARO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091381994 571239302 /nfs/dbraw/zinc/23/93/02/571239302.db2.gz GPOZSJWVKGBWBW-SFHVURJKSA-N 1 0 353.510 4.184 50 0 FIAARO Fc1c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cccc1C(F)(F)F ZINC000091617040 571241344 /nfs/dbraw/zinc/24/13/44/571241344.db2.gz UUYYGZADUYPRHR-GOEBONIOSA-N 1 0 356.407 4.151 50 0 FIAARO CC(=O)c1ccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000091677400 571242363 /nfs/dbraw/zinc/24/23/63/571242363.db2.gz YBJXOJPNWSNLOH-UHFFFAOYSA-N 1 0 368.521 4.036 50 0 FIAARO CNc1nc(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)cc(C)[nH+]1 ZINC000091726079 571242875 /nfs/dbraw/zinc/24/28/75/571242875.db2.gz JTZINAMBEVRXQC-CQSZACIVSA-N 1 0 354.502 4.040 50 0 FIAARO Clc1ccc([C@@H]2CN(Cc3cccc(-n4cccn4)c3)CCO2)cc1 ZINC000071419584 571270098 /nfs/dbraw/zinc/27/00/98/571270098.db2.gz PGHCKGOGLKUHRV-FQEVSTJZSA-N 1 0 353.853 4.099 50 0 FIAARO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089775683 571272821 /nfs/dbraw/zinc/27/28/21/571272821.db2.gz CQUSTFONQRXFHY-SCLBCKFNSA-N 1 0 369.336 4.465 50 0 FIAARO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc(F)cc1F ZINC000089769632 571272997 /nfs/dbraw/zinc/27/29/97/571272997.db2.gz MUSPANWCSLZFRZ-INIZCTEOSA-N 1 0 351.441 4.131 50 0 FIAARO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1 ZINC000089830420 571273558 /nfs/dbraw/zinc/27/35/58/571273558.db2.gz JLPGWFBTJOAWQD-QHCPKHFHSA-N 1 0 356.469 4.128 50 0 FIAARO Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237396795 571277261 /nfs/dbraw/zinc/27/72/61/571277261.db2.gz KDFCWMYQUYTHJH-HUUCEWRRSA-N 1 0 371.550 4.322 50 0 FIAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1 ZINC000253388913 571311734 /nfs/dbraw/zinc/31/17/34/571311734.db2.gz AHLMDPORSPYOKC-KNQAVFIVSA-N 1 0 372.484 4.139 50 0 FIAARO CC(C)(C)c1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000584895666 571315359 /nfs/dbraw/zinc/31/53/59/571315359.db2.gz OEAOZDQQRKUMFC-HXUWFJFHSA-N 1 0 357.542 4.144 50 0 FIAARO Cc1cc(C)cc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000013363925 571323304 /nfs/dbraw/zinc/32/33/04/571323304.db2.gz VDWQDXAIFYBLNS-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO CC(C)n1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079190139 571327254 /nfs/dbraw/zinc/32/72/54/571327254.db2.gz GSRDONGTRQHMLT-FXAWDEMLSA-N 1 0 353.510 4.217 50 0 biogenic FIAARO CC(C)n1cc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079480266 571327487 /nfs/dbraw/zinc/32/74/87/571327487.db2.gz FFWPVQXKWJHKDC-UHFFFAOYSA-N 1 0 355.526 4.190 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020330049 571328707 /nfs/dbraw/zinc/32/87/07/571328707.db2.gz XPHUTLAHEBJQFO-CYBMUJFWSA-N 1 0 371.872 4.225 50 0 FIAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2ccccc2c1 ZINC000095349624 571328870 /nfs/dbraw/zinc/32/88/70/571328870.db2.gz FYKXAJWEGUGZOD-HXUWFJFHSA-N 1 0 358.485 4.134 50 0 FIAARO CCOc1ccccc1[C@H](CC(C)C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000095423545 571329472 /nfs/dbraw/zinc/32/94/72/571329472.db2.gz KWOKPNVGESXVNF-SFHVURJKSA-N 1 0 354.485 4.492 50 0 FIAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000020532026 571330713 /nfs/dbraw/zinc/33/07/13/571330713.db2.gz NBUGMCZZBRBPIN-UHFFFAOYSA-N 1 0 369.431 4.435 50 0 FIAARO CCCCc1nc(C)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095473320 571330770 /nfs/dbraw/zinc/33/07/70/571330770.db2.gz FJURLLXCJRVYJK-UHFFFAOYSA-N 1 0 371.550 4.189 50 0 FIAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2ccccc2n1Cc1ccccc1 ZINC000095953038 571332767 /nfs/dbraw/zinc/33/27/67/571332767.db2.gz AYMDAKIPQXELNI-LEWJYISDSA-N 1 0 373.500 4.046 50 0 FIAARO CCCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170232 571333431 /nfs/dbraw/zinc/33/34/31/571333431.db2.gz CCPOVOVGQICJJL-DHIUTWEWSA-N 1 0 371.496 4.320 50 0 FIAARO CCC[C@@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169783 571333434 /nfs/dbraw/zinc/33/34/34/571333434.db2.gz UOXZQEYPNAMLJI-DHIUTWEWSA-N 1 0 353.506 4.099 50 0 FIAARO CC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000021170339 571333438 /nfs/dbraw/zinc/33/34/38/571333438.db2.gz FMRDNMNLODQRLF-VXKWHMMOSA-N 1 0 373.924 4.362 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000096006572 571333799 /nfs/dbraw/zinc/33/37/99/571333799.db2.gz QGIYLVMWGWLFAE-AUUYWEPGSA-N 1 0 350.890 4.189 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000096006571 571333819 /nfs/dbraw/zinc/33/38/19/571333819.db2.gz QGIYLVMWGWLFAE-LIRRHRJNSA-N 1 0 350.890 4.189 50 0 FIAARO COc1ccc(C(Cc2ccc(C(N)=[NH2+])cc2)c2ccc(OC)cc2)cc1 ZINC000096026845 571334086 /nfs/dbraw/zinc/33/40/86/571334086.db2.gz PQWCFWUOJALGLU-UHFFFAOYSA-N 1 0 360.457 4.362 50 0 FIAARO Cc1ccc([C@@H](Oc2ccccc2)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000096027299 571334192 /nfs/dbraw/zinc/33/41/92/571334192.db2.gz AYYOGJJTMLHAIT-JOCHJYFZSA-N 1 0 368.521 4.350 50 0 FIAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000670446960 571350984 /nfs/dbraw/zinc/35/09/84/571350984.db2.gz YPBSPOMSPLXGLE-HXUWFJFHSA-N 1 0 373.566 4.475 50 0 FIAARO Cc1cccn2c(=O)cc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CCC3)nc12 ZINC000182602383 1125574596 /nfs/dbraw/zinc/57/45/96/1125574596.db2.gz OPXINJFSXPFGQK-FQEVSTJZSA-N 1 0 367.880 4.287 50 0 FIAARO CSc1ccccc1C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000020601439 1089684614 /nfs/dbraw/zinc/68/46/14/1089684614.db2.gz LCRJBUMUSQHSRI-KRWDZBQOSA-N 1 0 360.567 4.176 50 0 FIAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000020598648 1089685555 /nfs/dbraw/zinc/68/55/55/1089685555.db2.gz ZAEOETFLVNDCIC-HXUWFJFHSA-N 1 0 363.436 4.222 50 0 FIAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000624015226 1111698327 /nfs/dbraw/zinc/69/83/27/1111698327.db2.gz SJHCHQGDEQWRGE-UZLBHIALSA-N 1 0 373.928 4.042 50 0 FIAARO Clc1ccccc1CN1CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000463163136 1117990510 /nfs/dbraw/zinc/99/05/10/1117990510.db2.gz RDISANHRYSGWSQ-FQEVSTJZSA-N 1 0 369.940 4.173 50 0 FIAARO Fc1ccc(CN2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1 ZINC000165378597 1121697539 /nfs/dbraw/zinc/69/75/39/1121697539.db2.gz DZYXDRXDUDWGAV-NRFANRHFSA-N 1 0 354.469 4.294 50 0 FIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000011842739 1125227646 /nfs/dbraw/zinc/22/76/46/1125227646.db2.gz HKUICOHDVLBIPC-OAQYLSRUSA-N 1 0 359.897 4.166 50 0 FIAARO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000182402216 1125453966 /nfs/dbraw/zinc/45/39/66/1125453966.db2.gz UMRDMKFOYVJOIK-NRFANRHFSA-N 1 0 352.453 4.115 50 0 FIAARO O=C(CC[NH+]1CCCCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000299779111 203766682 /nfs/dbraw/zinc/76/66/82/203766682.db2.gz PTNJNTKQHVUUPW-OAQYLSRUSA-N 1 0 371.912 4.207 50 0 FIAARO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)COc1cc(Cl)ccc1Cl ZINC000003383822 203881572 /nfs/dbraw/zinc/88/15/72/203881572.db2.gz GXPXXNSHNFOFNY-HNNXBMFYSA-N 1 0 374.695 4.219 50 0 FIAARO [NH2+]=c1c2c(n(Cc3ccc(Br)cc3)c3c1CCCC3)CCC2 ZINC000000977916 203968819 /nfs/dbraw/zinc/96/88/19/203968819.db2.gz YEJLKGBVTVLUJU-UHFFFAOYSA-N 1 0 357.295 4.146 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1cccc2ccccc21 ZINC000010330438 204009783 /nfs/dbraw/zinc/00/97/83/204009783.db2.gz YAWFVQDSNBZUCE-LJQANCHMSA-N 1 0 354.400 4.151 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c(C)c1 ZINC000002933963 204069112 /nfs/dbraw/zinc/06/91/12/204069112.db2.gz FBFRHJCDBDMRLQ-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO Cc1cc(Cl)c(OCCOCC[NH2+]C(C)(C)C)c(Br)c1 ZINC000003003434 204072812 /nfs/dbraw/zinc/07/28/12/204072812.db2.gz RCSNJMQCVFLKBF-UHFFFAOYSA-N 1 0 364.711 4.194 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c1 ZINC000003008242 204073203 /nfs/dbraw/zinc/07/32/03/204073203.db2.gz KLWDHPPCMPMJOA-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO C[C@H](NC(=O)c1ccc(F)cc1Cl)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003261392 204085788 /nfs/dbraw/zinc/08/57/88/204085788.db2.gz QWEKCQFTYATLDE-SJCJKPOMSA-N 1 0 366.889 4.496 50 0 FIAARO O[C@@H](C[NH2+]CCC(c1ccccc1)c1ccccc1)COc1ccccc1 ZINC000003311824 204090233 /nfs/dbraw/zinc/09/02/33/204090233.db2.gz MCNLXNKNZVFOEA-QFIPXVFZSA-N 1 0 361.485 4.238 50 0 FIAARO CSc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000002734684 204053229 /nfs/dbraw/zinc/05/32/29/204053229.db2.gz CWOWIRJPMBWQPC-HXUWFJFHSA-N 1 0 368.546 4.279 50 0 FIAARO Fc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000003665646 204110910 /nfs/dbraw/zinc/11/09/10/204110910.db2.gz NAHDCRZNUUHJDB-UHFFFAOYSA-N 1 0 361.486 4.104 50 0 FIAARO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000003893929 204112666 /nfs/dbraw/zinc/11/26/66/204112666.db2.gz KLONVYFUMLYAJA-UHFFFAOYSA-N 1 0 358.507 4.218 50 0 FIAARO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003878729 204113126 /nfs/dbraw/zinc/11/31/26/204113126.db2.gz FXJNAOPQWIPEMZ-SQGPQFPESA-N 1 0 357.518 4.032 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004018828 204118308 /nfs/dbraw/zinc/11/83/08/204118308.db2.gz CODAXLRJLVYQPK-ZSPWYYDASA-N 1 0 364.533 4.346 50 0 biogenic FIAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@H](O)c1ccccc1 ZINC000003339019 204092926 /nfs/dbraw/zinc/09/29/26/204092926.db2.gz LNZPRRDDFWZSLE-FQEVSTJZSA-N 1 0 354.494 4.195 50 0 FIAARO Cc1ccccc1SCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003363825 204095584 /nfs/dbraw/zinc/09/55/84/204095584.db2.gz VSGYLUYQVLALIV-UHFFFAOYSA-N 1 0 360.567 4.392 50 0 FIAARO Cc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2ccccc2)c(C)c1 ZINC000003477545 204102482 /nfs/dbraw/zinc/10/24/82/204102482.db2.gz IWKKLGPYSLSLME-UHFFFAOYSA-N 1 0 355.551 4.454 50 0 FIAARO Cc1ccc(NC(=S)NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000004683347 204155578 /nfs/dbraw/zinc/15/55/78/204155578.db2.gz LLJBGGAIUMJLND-ROUUACIJSA-N 1 0 353.535 4.365 50 0 FIAARO COc1cccc(NC(=O)N(CCC(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000004687116 204155846 /nfs/dbraw/zinc/15/58/46/204155846.db2.gz ZVPIRKDDLBAXBS-UHFFFAOYSA-N 1 0 361.530 4.448 50 0 FIAARO O=C([C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCCCC1 ZINC000004745068 204160359 /nfs/dbraw/zinc/16/03/59/204160359.db2.gz LZXILGAYFAYKON-NRFANRHFSA-N 1 0 350.506 4.454 50 0 FIAARO C[NH2+]Cc1ccccc1[C@H]1c2ccccc2CCN1C(=O)c1ccccc1 ZINC000004760016 204161883 /nfs/dbraw/zinc/16/18/83/204161883.db2.gz SSNSZMHHCJOUOA-HSZRJFAPSA-N 1 0 356.469 4.194 50 0 FIAARO O=Cc1cc(Cl)ccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832293 204166618 /nfs/dbraw/zinc/16/66/18/204166618.db2.gz ARUKTMULLAAOLS-UHFFFAOYSA-N 1 0 357.881 4.486 50 0 FIAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccs3)sc2c1 ZINC000004359205 204135736 /nfs/dbraw/zinc/13/57/36/204135736.db2.gz BAPMHJXMZDDOMX-UHFFFAOYSA-N 1 0 359.520 4.129 50 0 FIAARO Cc1ccccc1C(=O)N(CCC[NH+](C)C)c1nc2ccc(F)cc2s1 ZINC000004359608 204135959 /nfs/dbraw/zinc/13/59/59/204135959.db2.gz WRRLAWUNJDPYPX-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CCCn1c2ccc(C)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000005484669 204211504 /nfs/dbraw/zinc/21/15/04/204211504.db2.gz OXRXWSVQXZNEED-UHFFFAOYSA-N 1 0 369.538 4.276 50 0 aggregator FIAARO CC1CC[NH+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000005050531 204188135 /nfs/dbraw/zinc/18/81/35/204188135.db2.gz VPLLMEOWKJGEBQ-UHFFFAOYSA-N 1 0 370.518 4.159 50 0 FIAARO CCOc1cc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)ccc1O ZINC000006187260 204239637 /nfs/dbraw/zinc/23/96/37/204239637.db2.gz XRWZNRPARGAVNL-UHFFFAOYSA-N 1 0 357.841 4.457 50 0 FIAARO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006587641 204254727 /nfs/dbraw/zinc/25/47/27/204254727.db2.gz YDNOWTUPSNIEFG-LPHOPBHVSA-N 1 0 365.477 4.046 50 0 FIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000006911006 204281652 /nfs/dbraw/zinc/28/16/52/204281652.db2.gz IINVJJSTLHFZNN-LJQANCHMSA-N 1 0 355.526 4.180 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000006983600 204284855 /nfs/dbraw/zinc/28/48/55/204284855.db2.gz WBYCNPMJTQTUIH-UHFFFAOYSA-N 1 0 359.473 4.104 50 0 FIAARO CC(C)(C)c1ccc(C(=O)Nc2nnc(CC[NH+]3CCCCC3)s2)cc1 ZINC000006702675 204262085 /nfs/dbraw/zinc/26/20/85/204262085.db2.gz CBTYFUGLWGLREV-UHFFFAOYSA-N 1 0 372.538 4.116 50 0 FIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006753709 204266935 /nfs/dbraw/zinc/26/69/35/204266935.db2.gz GWJJYYGWDIFVDD-ONUXSRJRSA-N 1 0 356.510 4.139 50 0 FIAARO O=C(Cc1c(Cl)cccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006786229 204270363 /nfs/dbraw/zinc/27/03/63/204270363.db2.gz ZKWQIQKTIYVQMA-MRXNPFEDSA-N 1 0 367.276 4.082 50 0 FIAARO Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000006819265 204273502 /nfs/dbraw/zinc/27/35/02/204273502.db2.gz ZQPLRUOGBHMMNT-UHFFFAOYSA-N 1 0 357.885 4.218 50 0 FIAARO CC(C)(CNC(=S)Nc1cccc(C(F)(F)F)c1)[NH+]1CCCCC1 ZINC000006831509 204275133 /nfs/dbraw/zinc/27/51/33/204275133.db2.gz ZZXNJGYBWHFMHR-UHFFFAOYSA-N 1 0 359.461 4.256 50 0 FIAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 ZINC000007872463 204310900 /nfs/dbraw/zinc/31/09/00/204310900.db2.gz AZVONPBQBXSBBD-JOCHJYFZSA-N 1 0 370.493 4.192 50 0 FIAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc12 ZINC000008076466 204318246 /nfs/dbraw/zinc/31/82/46/204318246.db2.gz BMITXONIMMCTQS-UHFFFAOYSA-N 1 0 374.484 4.374 50 0 FIAARO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000008128518 204319396 /nfs/dbraw/zinc/31/93/96/204319396.db2.gz ILZQFIRBSPZDLY-LBPRGKRZSA-N 1 0 358.290 4.118 50 0 FIAARO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCCCCC2)c1 ZINC000008325859 204325848 /nfs/dbraw/zinc/32/58/48/204325848.db2.gz DFVIYDAHHDUKEH-UHFFFAOYSA-N 1 0 365.477 4.062 50 0 FIAARO C[NH2+]CCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008376916 204328987 /nfs/dbraw/zinc/32/89/87/204328987.db2.gz GTHWHIWGBHNOMS-UHFFFAOYSA-N 1 0 352.453 4.257 50 0 FIAARO O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430575 204330922 /nfs/dbraw/zinc/33/09/22/204330922.db2.gz SXGVQPTZTBELEW-ZHACJKMWSA-N 1 0 372.871 4.405 50 0 FIAARO CC[NH+](CC)CCNc1ncnc2c3c4c(c(C(C)C)nc3oc21)CCC4 ZINC000008645063 204337684 /nfs/dbraw/zinc/33/76/84/204337684.db2.gz AVZNCDDWGQJMIF-UHFFFAOYSA-N 1 0 367.497 4.137 50 0 FIAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1/C=C/c1ccccc1 ZINC000009009564 204351869 /nfs/dbraw/zinc/35/18/69/204351869.db2.gz AMOUOHUNBLYWGV-JKIKYLSZSA-N 1 0 359.429 4.207 50 0 FIAARO CCOC(=O)c1c(NC(=O)C[NH2+]C(C)(C)C)sc(C)c1-c1ccccc1 ZINC000009313680 204361559 /nfs/dbraw/zinc/36/15/59/204361559.db2.gz DQOMFWZVDJSCJA-UHFFFAOYSA-N 1 0 374.506 4.227 50 0 FIAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000010413490 204396178 /nfs/dbraw/zinc/39/61/78/204396178.db2.gz QOPCWQJNIZEFQC-UHFFFAOYSA-N 1 0 373.884 4.088 50 0 FIAARO C[C@@H](NC(=O)NCc1ccccc1C[NH+](C)C)c1cc2ccccc2o1 ZINC000010466178 204397111 /nfs/dbraw/zinc/39/71/11/204397111.db2.gz NIKUKJRCBWLEOB-OAHLLOKOSA-N 1 0 351.450 4.055 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000012185488 204437990 /nfs/dbraw/zinc/43/79/90/204437990.db2.gz ULBWGLGNZQRVGN-OAQYLSRUSA-N 1 0 370.924 4.362 50 0 FIAARO O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC000011880705 204421021 /nfs/dbraw/zinc/42/10/21/204421021.db2.gz XVIGMJWEVLZPKU-QGZVFWFLSA-N 1 0 356.416 4.206 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000012913130 204508931 /nfs/dbraw/zinc/50/89/31/204508931.db2.gz VUBJFOMPFVZZMW-KDURUIRLSA-N 1 0 350.506 4.260 50 0 FIAARO COc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1Cl ZINC000021170967 204749139 /nfs/dbraw/zinc/74/91/39/204749139.db2.gz SUALCRQTHBXZJO-KRWDZBQOSA-N 1 0 364.917 4.219 50 0 FIAARO Cc1cccc(C[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)n1 ZINC000023191651 204798383 /nfs/dbraw/zinc/79/83/83/204798383.db2.gz DATHXAGECZOODL-UHFFFAOYSA-N 1 0 364.518 4.272 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1)c1ccccc1Cl ZINC000027580403 204865287 /nfs/dbraw/zinc/86/52/87/204865287.db2.gz KJZITPZPIUPOON-IBGZPJMESA-N 1 0 360.885 4.162 50 0 biogenic FIAARO COc1ccc([C@@H](CNc2nc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000029319911 204898554 /nfs/dbraw/zinc/89/85/54/204898554.db2.gz LDOJUIYKFGCCMD-LJQANCHMSA-N 1 0 351.450 4.476 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000028291531 204879471 /nfs/dbraw/zinc/87/94/71/204879471.db2.gz JVMREVHFTMUTPV-GOSISDBHSA-N 1 0 372.534 4.025 50 0 FIAARO CCC(=O)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697990 204978410 /nfs/dbraw/zinc/97/84/10/204978410.db2.gz DHCXPAPOOUJFQZ-SJLPKXTDSA-N 1 0 368.443 4.143 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccccc1 ZINC000036103888 205005958 /nfs/dbraw/zinc/00/59/58/205005958.db2.gz VVFBVXIKWUPQFJ-REWPJTCUSA-N 1 0 355.522 4.482 50 0 FIAARO C[NH+]1CCC(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036613961 205017027 /nfs/dbraw/zinc/01/70/27/205017027.db2.gz IBMOWFVOLLFUEC-UHFFFAOYSA-N 1 0 352.816 4.241 50 0 FIAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)ccc2c1 ZINC000037471623 205026996 /nfs/dbraw/zinc/02/69/96/205026996.db2.gz VINFBPFYDDDKGD-KZNAEPCWSA-N 1 0 368.521 4.458 50 0 FIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)Nc1ccccc1Cl ZINC000077104363 205037820 /nfs/dbraw/zinc/03/78/20/205037820.db2.gz MFLRFEGSPJXMGS-UHFFFAOYSA-N 1 0 363.914 4.403 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 ZINC000040103886 205054795 /nfs/dbraw/zinc/05/47/95/205054795.db2.gz RJXKLLHTWUOLBU-OAHLLOKOSA-N 1 0 372.519 4.296 50 0 FIAARO COCc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000040107908 205056273 /nfs/dbraw/zinc/05/62/73/205056273.db2.gz UTDLPQFLIHXDCZ-QGZVFWFLSA-N 1 0 352.478 4.317 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000040118855 205057287 /nfs/dbraw/zinc/05/72/87/205057287.db2.gz UOMLMFBWHHTDPJ-IRXDYDNUSA-N 1 0 373.566 4.103 50 0 FIAARO CCc1cc2c(ncn(CCC3CC[NH+](C4CCCC4)CC3)c2=O)s1 ZINC000042992785 205099024 /nfs/dbraw/zinc/09/90/24/205099024.db2.gz DJBOSZIJIQZDAQ-UHFFFAOYSA-N 1 0 359.539 4.065 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000044933457 205115165 /nfs/dbraw/zinc/11/51/65/205115165.db2.gz CLTVTMNZPKBPSJ-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000044934135 205115626 /nfs/dbraw/zinc/11/56/26/205115626.db2.gz XWJIGYUXUIEOPI-KRWDZBQOSA-N 1 0 354.469 4.224 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000045462373 205122768 /nfs/dbraw/zinc/12/27/68/205122768.db2.gz YEYUWVGLDXDVBT-INIZCTEOSA-N 1 0 357.498 4.256 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000043750033 205104933 /nfs/dbraw/zinc/10/49/33/205104933.db2.gz KWTAZIQORZRDGO-INIZCTEOSA-N 1 0 371.333 4.407 50 0 FIAARO CCOc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000047322817 205145583 /nfs/dbraw/zinc/14/55/83/205145583.db2.gz UPZDKIAXPANZOC-UHFFFAOYSA-N 1 0 371.456 4.011 50 0 FIAARO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048277645 205154763 /nfs/dbraw/zinc/15/47/63/205154763.db2.gz YNAIQORLTPEIES-NSHDSACASA-N 1 0 373.305 4.216 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CC)c2ccccc2)cc1 ZINC000048324400 205157806 /nfs/dbraw/zinc/15/78/06/205157806.db2.gz SVBZKTQCTJDJAI-NRFANRHFSA-N 1 0 352.478 4.275 50 0 FIAARO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000048324961 205158039 /nfs/dbraw/zinc/15/80/39/205158039.db2.gz GGZACVJIZAFUBH-OAQYLSRUSA-N 1 0 366.505 4.144 50 0 FIAARO CN(C)C(=O)[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000048309619 205158508 /nfs/dbraw/zinc/15/85/08/205158508.db2.gz NUBLQVYZLHNSQV-DHIUTWEWSA-N 1 0 358.485 4.390 50 0 FIAARO COc1ccc(OC)c(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000048314448 205158713 /nfs/dbraw/zinc/15/87/13/205158713.db2.gz UHZJKAMGCZZMMF-UHFFFAOYSA-N 1 0 374.912 4.111 50 0 FIAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000052710477 205187521 /nfs/dbraw/zinc/18/75/21/205187521.db2.gz AUVDOYHXLWKCSV-NEPJUHHUSA-N 1 0 350.821 4.166 50 0 FIAARO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000052710479 205187563 /nfs/dbraw/zinc/18/75/63/205187563.db2.gz AUVDOYHXLWKCSV-VXGBXAGGSA-N 1 0 350.821 4.166 50 0 FIAARO CCOC(=O)c1c(C2CC2)csc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057322906 205236474 /nfs/dbraw/zinc/23/64/74/205236474.db2.gz CESVJSFVEKBZJB-ZDUSSCGKSA-N 1 0 372.490 4.092 50 0 FIAARO C[NH+]1CCC(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000058171578 205254296 /nfs/dbraw/zinc/25/42/96/205254296.db2.gz CNONVWYNJIIUGC-UHFFFAOYSA-N 1 0 366.383 4.037 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000057992584 205247348 /nfs/dbraw/zinc/24/73/48/205247348.db2.gz LVSZJVXFWVCKPR-CYBMUJFWSA-N 1 0 373.305 4.096 50 0 FIAARO CO[C@H](C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 ZINC000060528422 205285365 /nfs/dbraw/zinc/28/53/65/205285365.db2.gz JDMMOYXAOWMHHU-LJQANCHMSA-N 1 0 355.869 4.311 50 0 FIAARO CCCn1ncc(-c2ccnc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)n2)c1C ZINC000063856401 205295714 /nfs/dbraw/zinc/29/57/14/205295714.db2.gz ASYVCLGGRKTMQE-UHFFFAOYSA-N 1 0 370.545 4.122 50 0 FIAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000064569557 205300737 /nfs/dbraw/zinc/30/07/37/205300737.db2.gz MAKBSLYIZDLBBZ-FQEVSTJZSA-N 1 0 365.452 4.227 50 0 FIAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)C)cc1 ZINC000064590916 205302028 /nfs/dbraw/zinc/30/20/28/205302028.db2.gz XOGUVPBXALJTAI-UHFFFAOYSA-N 1 0 369.896 4.315 50 0 FIAARO COc1ccc(NC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)c(C)c1 ZINC000064818033 205305972 /nfs/dbraw/zinc/30/59/72/205305972.db2.gz AREKRJLARVHUDH-UHFFFAOYSA-N 1 0 350.462 4.083 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000064818061 205306522 /nfs/dbraw/zinc/30/65/22/205306522.db2.gz QFTXSUXPAZVTPZ-SFHVURJKSA-N 1 0 366.480 4.452 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000064818060 205306604 /nfs/dbraw/zinc/30/66/04/205306604.db2.gz QFTXSUXPAZVTPZ-GOSISDBHSA-N 1 0 366.480 4.452 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000065493033 205355768 /nfs/dbraw/zinc/35/57/68/205355768.db2.gz DVQKZXKGFRGZPS-CQSZACIVSA-N 1 0 354.947 4.057 50 0 FIAARO C/C=C(\CC)c1c(-c2ccccc2)ncn1CCC[NH+]1CCN(CC)CC1 ZINC000065536330 205358906 /nfs/dbraw/zinc/35/89/06/205358906.db2.gz HXOROPLRIKPDOZ-LRNAUUFOSA-N 1 0 366.553 4.391 50 0 FIAARO CCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000065592810 205359954 /nfs/dbraw/zinc/35/99/54/205359954.db2.gz WPVSRIRDKWPDOD-ZDUSSCGKSA-N 1 0 373.324 4.141 50 0 FIAARO O=S(=O)(CC[NH2+]Cc1sc2ccccc2c1Cl)c1ccccc1 ZINC000065933532 205363354 /nfs/dbraw/zinc/36/33/54/205363354.db2.gz SYWBLDMXSXBACJ-UHFFFAOYSA-N 1 0 365.907 4.118 50 0 FIAARO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322299 205336423 /nfs/dbraw/zinc/33/64/23/205336423.db2.gz BINQSJISXUMQMP-UHFFFAOYSA-N 1 0 356.514 4.444 50 0 FIAARO CC[NH+](CC)Cc1cc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)ccc1OC ZINC000065373629 205341209 /nfs/dbraw/zinc/34/12/09/205341209.db2.gz OYSLKQIKMHWGNY-QGZVFWFLSA-N 1 0 368.477 4.025 50 0 FIAARO CCc1nccc(-c2c(-c3ccccc3)ncn2CCC[NH+]2CCCC2)n1 ZINC000065381532 205342754 /nfs/dbraw/zinc/34/27/54/205342754.db2.gz YGAWOEMJNPFARQ-UHFFFAOYSA-N 1 0 361.493 4.055 50 0 FIAARO c1cc(-c2ccc(-c3c(-c4ccccc4)ncn3CC3CC[NH2+]CC3)o2)n[nH]1 ZINC000067688648 205383773 /nfs/dbraw/zinc/38/37/73/205383773.db2.gz FKAMJHMMRBBDOC-UHFFFAOYSA-N 1 0 373.460 4.200 50 0 FIAARO COCc1nc2cc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)ccc2o1 ZINC000067689322 205384320 /nfs/dbraw/zinc/38/43/20/205384320.db2.gz KUKJNRMSPWZQSL-HNNXBMFYSA-N 1 0 352.434 4.034 50 0 FIAARO COc1cc(-c2cccs2)cc2c1OCCN(CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000067714542 205385350 /nfs/dbraw/zinc/38/53/50/205385350.db2.gz PAKAFSDOOTZWIZ-SFHVURJKSA-N 1 0 372.534 4.102 50 0 FIAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1C ZINC000091364836 205671073 /nfs/dbraw/zinc/67/10/73/205671073.db2.gz WCNUXQWXLQTIGP-SIKLNZKXSA-N 1 0 366.480 4.179 50 0 FIAARO COc1ccc2c(C)c(C(=O)N[C@H](CC[NH+](C)C)c3ccccc3)oc2c1 ZINC000091459775 205674129 /nfs/dbraw/zinc/67/41/29/205674129.db2.gz GUNCBEKTBQYMDD-LJQANCHMSA-N 1 0 366.461 4.173 50 0 FIAARO CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)Nc1cccc(C(F)(F)F)c1F ZINC000095526428 205783384 /nfs/dbraw/zinc/78/33/84/205783384.db2.gz WFRNDVNQBQUAEX-NSHDSACASA-N 1 0 361.383 4.039 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 ZINC000095938978 205794918 /nfs/dbraw/zinc/79/49/18/205794918.db2.gz FZLHDOSZKRYBFT-QGZVFWFLSA-N 1 0 363.421 4.000 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cc2ccccc2o1 ZINC000043971648 206063088 /nfs/dbraw/zinc/06/30/88/206063088.db2.gz XTHIOZYBCAWSQJ-UHFFFAOYSA-N 1 0 354.475 4.136 50 0 FIAARO CSc1ccc(Cl)c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000046991132 206080087 /nfs/dbraw/zinc/08/00/87/206080087.db2.gz UCFYMDOEGRIWPB-AWEZNQCLSA-N 1 0 354.947 4.304 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCc2ccco2)C1 ZINC000048343379 206082265 /nfs/dbraw/zinc/08/22/65/206082265.db2.gz WESOEMVVYREPPO-HDICACEKSA-N 1 0 354.494 4.007 50 0 FIAARO CCCNC(=O)c1cccc(C[NH2+]Cc2c(OC)ccc3ccccc32)c1 ZINC000047794349 206082926 /nfs/dbraw/zinc/08/29/26/206082926.db2.gz BLWSPXKAGUBCJT-UHFFFAOYSA-N 1 0 362.473 4.278 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1F ZINC000238055722 206112482 /nfs/dbraw/zinc/11/24/82/206112482.db2.gz OSLFAPBLYYGDRP-NRFANRHFSA-N 1 0 351.421 4.228 50 0 FIAARO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000004263231 206172796 /nfs/dbraw/zinc/17/27/96/206172796.db2.gz AGJKXCLKJGOAQN-MRXNPFEDSA-N 1 0 354.277 4.255 50 0 FIAARO COc1ccc(C[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000004028393 206163472 /nfs/dbraw/zinc/16/34/72/206163472.db2.gz TYAVZDOMPJDABU-LOHSHHQESA-N 1 0 369.505 4.099 50 0 biogenic FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)sc2cc1C ZINC000004586166 206179010 /nfs/dbraw/zinc/17/90/10/206179010.db2.gz IKLNFUWMKRTZEL-UHFFFAOYSA-N 1 0 367.518 4.050 50 0 FIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O ZINC000006353485 206200832 /nfs/dbraw/zinc/20/08/32/206200832.db2.gz COXMTCPIAWJHBS-UHFFFAOYSA-N 1 0 366.461 4.288 50 0 FIAARO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl ZINC000007058798 206244806 /nfs/dbraw/zinc/24/48/06/206244806.db2.gz UKSAPZFBOIXFHD-SFIVQVFOSA-N 1 0 370.320 4.292 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000103508090 206229329 /nfs/dbraw/zinc/22/93/29/206229329.db2.gz AJNNNDIHDQSGFJ-IERDGZPVSA-N 1 0 370.468 4.239 50 0 FIAARO CC1(C)CC(NC(=O)c2cc(Br)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000002850577 206231342 /nfs/dbraw/zinc/23/13/42/206231342.db2.gz HDYLQVXZBMMPSE-UHFFFAOYSA-N 1 0 373.722 4.142 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000106172021 206232596 /nfs/dbraw/zinc/23/25/96/206232596.db2.gz ULJHJYNNDQQYPO-QZTJIDSGSA-N 1 0 363.502 4.045 50 0 FIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000005355386 206239312 /nfs/dbraw/zinc/23/93/12/206239312.db2.gz GXIUHNGDHPOTMO-BBWFWOEESA-N 1 0 357.494 4.314 50 0 FIAARO C[NH+]1CCC2(CCCN2Cc2ccc(Cl)cc2Br)CC1 ZINC000170591374 206269941 /nfs/dbraw/zinc/26/99/41/206269941.db2.gz QUXYRFJDCUOTCN-UHFFFAOYSA-N 1 0 357.723 4.163 50 0 FIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCc4ccc(F)cc4)[C@H]3C=C12 ZINC000012661713 206295088 /nfs/dbraw/zinc/29/50/88/206295088.db2.gz FFSNVRAKSCJUEN-OTGHWYDRSA-N 1 0 371.496 4.272 50 0 biogenic FIAARO Cc1cc([C@H]2CCCCN2Cc2ccccc2OCCC[NH+](C)C)no1 ZINC000215921587 206352768 /nfs/dbraw/zinc/35/27/68/206352768.db2.gz OARVBRJVJBUGDP-HXUWFJFHSA-N 1 0 357.498 4.041 50 0 FIAARO Fc1ccc(OC2CC[NH+](C[C@]3(c4ccccc4)CCOC3)CC2)cc1 ZINC000216393444 206357649 /nfs/dbraw/zinc/35/76/49/206357649.db2.gz RESQZUIOOBTACC-JOCHJYFZSA-N 1 0 355.453 4.027 50 0 FIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000058163993 206391867 /nfs/dbraw/zinc/39/18/67/206391867.db2.gz CZAMWNDPIXAQRG-RCRSHMOFSA-N 1 0 370.537 4.067 50 0 FIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000058163994 206392037 /nfs/dbraw/zinc/39/20/37/206392037.db2.gz CZAMWNDPIXAQRG-ACGMVJLCSA-N 1 0 370.537 4.067 50 0 FIAARO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000060322488 221129363 /nfs/dbraw/zinc/12/93/63/221129363.db2.gz XMNJMHMDUJXNTP-CQSZACIVSA-N 1 0 356.432 4.078 50 0 FIAARO COCCn1ccnc1[C@H]1CCCN(c2cc[nH+]c3c(C)c(C)ccc23)C1 ZINC000095527025 132214579 /nfs/dbraw/zinc/21/45/79/132214579.db2.gz LPBNLGMQETYEOK-SFHVURJKSA-N 1 0 364.493 4.079 50 0 FIAARO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962419 132216591 /nfs/dbraw/zinc/21/65/91/132216591.db2.gz BHDHBRMXRZHIHO-OAHLLOKOSA-N 1 0 359.464 4.350 50 0 FIAARO Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)c2cc(C(F)(F)F)ccc2[nH+]1 ZINC000096140005 132220184 /nfs/dbraw/zinc/22/01/84/132220184.db2.gz RXELDFFETPITCY-ZDUSSCGKSA-N 1 0 365.399 4.044 50 0 FIAARO Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1-c1ccc(Cl)cc1 ZINC000004748092 132254917 /nfs/dbraw/zinc/25/49/17/132254917.db2.gz NOVNOIHFDMVDNC-UHFFFAOYSA-N 1 0 358.898 4.072 50 0 FIAARO Cc1nc(-c2cccc(N3CCC([NH2+]C[C@H]4CCCOC4)CC3)c2)cs1 ZINC000023311833 136152620 /nfs/dbraw/zinc/15/26/20/136152620.db2.gz LICHCKODQOAKKV-QGZVFWFLSA-N 1 0 371.550 4.104 50 0 FIAARO CC(=O)c1cc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cs1 ZINC000020598841 518276334 /nfs/dbraw/zinc/27/63/34/518276334.db2.gz UJIVFSOXRSFFPB-FQEVSTJZSA-N 1 0 356.535 4.090 50 0 FIAARO CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000089943222 521648767 /nfs/dbraw/zinc/64/87/67/521648767.db2.gz CTZKYNYAZNMUEN-FQEVSTJZSA-N 1 0 356.514 4.057 50 0 FIAARO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000089905091 522157728 /nfs/dbraw/zinc/15/77/28/522157728.db2.gz IFBKYWDEFIUWPG-MRXNPFEDSA-N 1 0 355.478 4.408 50 0 FIAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020573390 522227581 /nfs/dbraw/zinc/22/75/81/522227581.db2.gz ZDCBEIVNJXJLIB-QGZVFWFLSA-N 1 0 363.885 4.097 50 0 FIAARO C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)[C@H]1CCCc2ccccc21 ZINC000247986527 523020400 /nfs/dbraw/zinc/02/04/00/523020400.db2.gz KQIRASASHDWWIA-CTNGQTDRSA-N 1 0 359.897 4.227 50 0 FIAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H]1Cc2ccccc2O1 ZINC000019794899 523161824 /nfs/dbraw/zinc/16/18/24/523161824.db2.gz ILXXAZGTZQJQMY-GOSISDBHSA-N 1 0 359.429 4.258 50 0 FIAARO CCn1ccnc1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000091444967 523523638 /nfs/dbraw/zinc/52/36/38/523523638.db2.gz HZAJJBVTVJFYOT-UHFFFAOYSA-N 1 0 353.388 4.181 50 0 FIAARO Cc1cc(C)n2ncc(C[N@@H+]3CCCC[C@@H]3CCc3cccc(O)c3)c2n1 ZINC000216460321 524572804 /nfs/dbraw/zinc/57/28/04/524572804.db2.gz BYKFZVOATGLZGW-HXUWFJFHSA-N 1 0 364.493 4.039 50 0 FIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+][C@@H]1CCOC1 ZINC000020599838 525013857 /nfs/dbraw/zinc/01/38/57/525013857.db2.gz OROLVYJDVJSTIV-QGZVFWFLSA-N 1 0 369.415 4.004 50 0 FIAARO Cc1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2[nH+]1 ZINC000089583137 525272808 /nfs/dbraw/zinc/27/28/08/525272808.db2.gz RMPMKFCEOSREAL-IBGZPJMESA-N 1 0 353.491 4.090 50 0 FIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCc3ccccn3)c2cc1C(C)C ZINC000089608974 525690426 /nfs/dbraw/zinc/69/04/26/525690426.db2.gz YBJIOMUDLNVGKU-UHFFFAOYSA-N 1 0 350.462 4.294 50 0 FIAARO COc1cccc(-c2cccc(C(=O)N3CCC([C@H](C)[NH+](C)C)CC3)c2)c1 ZINC000091695578 525714362 /nfs/dbraw/zinc/71/43/62/525714362.db2.gz MZKFGHQELVJWIZ-KRWDZBQOSA-N 1 0 366.505 4.165 50 0 FIAARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3[nH]c4ccccc4c3C)C2)c1 ZINC000020996269 525938623 /nfs/dbraw/zinc/93/86/23/525938623.db2.gz RCWZHBZHCLPGJH-IBGZPJMESA-N 1 0 363.505 4.239 50 0 FIAARO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452572 526159841 /nfs/dbraw/zinc/15/98/41/526159841.db2.gz PNHJCPQDOKJMHE-KUHUBIRLSA-N 1 0 351.475 4.460 50 0 FIAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100484 526745024 /nfs/dbraw/zinc/74/50/24/526745024.db2.gz ZPONLNUITMVMHR-UHFFFAOYSA-N 1 0 360.860 4.008 50 0 FIAARO Clc1ccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020118055 526957545 /nfs/dbraw/zinc/95/75/45/526957545.db2.gz UVPXRIOENKDWNV-UHFFFAOYSA-N 1 0 358.913 4.317 50 0 FIAARO Cn1cc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3CC3CCCC3)s2)cn1 ZINC000020168781 527273252 /nfs/dbraw/zinc/27/32/52/527273252.db2.gz YTRCQOFJLVBHFQ-MRXNPFEDSA-N 1 0 358.511 4.061 50 0 FIAARO O=c1cc(C2CCCC2)nc(-c2ccc(C[NH+]3CCCCCC3)cc2)[nH]1 ZINC000020204645 527477156 /nfs/dbraw/zinc/47/71/56/527477156.db2.gz MCMNMXQHPJFGBE-UHFFFAOYSA-N 1 0 351.494 4.471 50 0 FIAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(Cn3ccnc3)CC2)s1 ZINC000215240023 568059664 /nfs/dbraw/zinc/05/96/64/568059664.db2.gz VEFBWSTYRQURCV-UHFFFAOYSA-N 1 0 352.507 4.227 50 0 FIAARO Cc1ccc(OCCCN(C)C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000215275350 568061384 /nfs/dbraw/zinc/06/13/84/568061384.db2.gz DKQSIFNVRWJHNN-OAQYLSRUSA-N 1 0 366.505 4.003 50 0 FIAARO CCc1oc(C(=O)N2CCC[C@@H]2c2nccs2)cc1C[NH+](CC)CC ZINC000222763074 568560625 /nfs/dbraw/zinc/56/06/25/568560625.db2.gz CFAMISLKTMWEKT-OAHLLOKOSA-N 1 0 361.511 4.118 50 0 FIAARO C[C@@H]1CCC[C@H]([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C1 ZINC000000757894 570455349 /nfs/dbraw/zinc/45/53/49/570455349.db2.gz LXLXQWAPLMGBSB-PBHICJAKSA-N 1 0 352.316 4.311 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000095380622 570458910 /nfs/dbraw/zinc/45/89/10/570458910.db2.gz RMKTWVZPUORWIZ-LJQANCHMSA-N 1 0 369.534 4.496 50 0 FIAARO COc1cccc(Oc2ccc(NC(=O)N(C)C3CC[NH+](C)CC3)cc2)c1 ZINC000095506123 570464220 /nfs/dbraw/zinc/46/42/20/570464220.db2.gz WFWYUPOWIHZOJJ-UHFFFAOYSA-N 1 0 369.465 4.045 50 0 FIAARO CC(C)n1cncc1C[N@@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095516587 570466318 /nfs/dbraw/zinc/46/63/18/570466318.db2.gz JJNWGUJUMIAODH-OAQYLSRUSA-N 1 0 355.482 4.038 50 0 FIAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCC[C@H]1c1ccccn1 ZINC000095517913 570466415 /nfs/dbraw/zinc/46/64/15/570466415.db2.gz OQIQRIPLGDLIER-NRFANRHFSA-N 1 0 364.493 4.437 50 0 FIAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095525889 570468288 /nfs/dbraw/zinc/46/82/88/570468288.db2.gz XKHSAYFRPALMQQ-OAHLLOKOSA-N 1 0 361.486 4.222 50 0 FIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CC([NH+]2CCCCC2)C1 ZINC000096162223 570478010 /nfs/dbraw/zinc/47/80/10/570478010.db2.gz SWNCJFKPPSMJKD-UHFFFAOYSA-N 1 0 353.441 4.195 50 0 FIAARO Cc1nc2cc(C(=O)N[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc2s1 ZINC000097173109 570484858 /nfs/dbraw/zinc/48/48/58/570484858.db2.gz BHSODXOUXROYMY-HNNXBMFYSA-N 1 0 371.531 4.061 50 0 FIAARO C[NH+](C)Cc1cccc(C(=O)N(Cc2cccnc2)C2CCCCC2)c1 ZINC000097570793 570491187 /nfs/dbraw/zinc/49/11/87/570491187.db2.gz YYMOIIYKXHPQRD-UHFFFAOYSA-N 1 0 351.494 4.118 50 0 FIAARO CSCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011955988 570602999 /nfs/dbraw/zinc/60/29/99/570602999.db2.gz YSSSPJPEGWRPCI-LJQANCHMSA-N 1 0 354.510 4.006 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000005395070 570678031 /nfs/dbraw/zinc/67/80/31/570678031.db2.gz NRWDZRYYRXNNIL-JOCHJYFZSA-N 1 0 356.469 4.459 50 0 FIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2)oc1C ZINC000011661840 570704226 /nfs/dbraw/zinc/70/42/26/570704226.db2.gz WDZDKHCFLCXBJW-KRWDZBQOSA-N 1 0 360.429 4.097 50 0 FIAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3cccc(C)n3)CC2)c1 ZINC000011665272 570704677 /nfs/dbraw/zinc/70/46/77/570704677.db2.gz UKJPRZAGDCKQNS-UHFFFAOYSA-N 1 0 367.493 4.030 50 0 FIAARO CC(C)n1cc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cn1 ZINC000011662806 570704784 /nfs/dbraw/zinc/70/47/84/570704784.db2.gz KKTJGOYJKWRHQX-QFIPXVFZSA-N 1 0 355.526 4.061 50 0 FIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011700028 570705753 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CC(C)c1nc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2o1 ZINC000012003635 570713960 /nfs/dbraw/zinc/71/39/60/570713960.db2.gz OVXYBUJHXBPANR-UHFFFAOYSA-N 1 0 355.482 4.042 50 0 FIAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012021068 570714055 /nfs/dbraw/zinc/71/40/55/570714055.db2.gz BDPDRQCSYARXLJ-FQEVSTJZSA-N 1 0 363.860 4.002 50 0 FIAARO CSc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012057657 570716052 /nfs/dbraw/zinc/71/60/52/570716052.db2.gz NCOHQCNYAYVYNQ-IBGZPJMESA-N 1 0 368.546 4.236 50 0 FIAARO Cc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1C ZINC000012191666 570725759 /nfs/dbraw/zinc/72/57/59/570725759.db2.gz WHARJUIFSFEMSN-XMMPIXPASA-N 1 0 374.484 4.175 50 0 FIAARO CC(C)c1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)[nH]n1 ZINC000012307207 570734971 /nfs/dbraw/zinc/73/49/71/570734971.db2.gz HJSZTPGISSPSSH-UHFFFAOYSA-N 1 0 354.498 4.164 50 0 FIAARO Fc1cccc(CN2CCC([C@@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320790 570736935 /nfs/dbraw/zinc/73/69/35/570736935.db2.gz WJPURXPYRCUOFI-LJQANCHMSA-N 1 0 371.475 4.094 50 0 FIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br ZINC000012362943 570738677 /nfs/dbraw/zinc/73/86/77/570738677.db2.gz NTTBMJIADQIFRG-MJBXVCDLSA-N 1 0 354.288 4.257 50 0 FIAARO CC(C)[C@H](C)Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000012432523 570744857 /nfs/dbraw/zinc/74/48/57/570744857.db2.gz BFUYLVNZAWYRKQ-SFHVURJKSA-N 1 0 372.557 4.019 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000012457890 570747740 /nfs/dbraw/zinc/74/77/40/570747740.db2.gz AXPSGLQINUPUIR-OAQYLSRUSA-N 1 0 373.500 4.014 50 0 FIAARO CCc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472181 570748398 /nfs/dbraw/zinc/74/83/98/570748398.db2.gz DNTCRFQTTGFQLJ-HXUWFJFHSA-N 1 0 370.537 4.237 50 0 FIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012477109 570748456 /nfs/dbraw/zinc/74/84/56/570748456.db2.gz JGXAJZWNIYQTIT-GOSISDBHSA-N 1 0 352.478 4.067 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c(C)n1 ZINC000012706293 570757380 /nfs/dbraw/zinc/75/73/80/570757380.db2.gz INKDEOWTKJNFBO-QGZVFWFLSA-N 1 0 357.523 4.028 50 0 FIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4(C)CC4)C3)C2)cc1 ZINC000012715320 570758201 /nfs/dbraw/zinc/75/82/01/570758201.db2.gz XTTLGSBEMMDWLX-HSZRJFAPSA-N 1 0 354.538 4.425 50 0 FIAARO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000012748871 570759435 /nfs/dbraw/zinc/75/94/35/570759435.db2.gz SEALMSPJPHAWPR-UHFFFAOYSA-N 1 0 359.473 4.049 50 0 FIAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000012759200 570759957 /nfs/dbraw/zinc/75/99/57/570759957.db2.gz HYDUXWBKHPYSSB-INIZCTEOSA-N 1 0 362.926 4.229 50 0 FIAARO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000012805953 570764172 /nfs/dbraw/zinc/76/41/72/570764172.db2.gz VOWZDYOBJGHIEF-UHFFFAOYSA-N 1 0 366.505 4.292 50 0 FIAARO CCc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1 ZINC000032721284 570780269 /nfs/dbraw/zinc/78/02/69/570780269.db2.gz IPEAZZLYNKBUBT-RXXSEBCPSA-N 1 0 354.538 4.184 50 0 FIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1nc(Cl)ccc1Cl ZINC000032762015 570795658 /nfs/dbraw/zinc/79/56/58/570795658.db2.gz LNILWOXPMJBEQM-GFCCVEGCSA-N 1 0 370.305 4.017 50 0 FIAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000032825211 570816554 /nfs/dbraw/zinc/81/65/54/570816554.db2.gz ULDAEDAZQBIKOJ-HNNXBMFYSA-N 1 0 361.424 4.148 50 0 FIAARO CN(Cc1cccc(O)c1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950438 570826543 /nfs/dbraw/zinc/82/65/43/570826543.db2.gz MEFQWDWGYSLLQY-HXUWFJFHSA-N 1 0 372.940 4.432 50 0 FIAARO CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000014966179 570827547 /nfs/dbraw/zinc/82/75/47/570827547.db2.gz ONJYTQGQZSAENT-KRWDZBQOSA-N 1 0 360.929 4.166 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)ccc1O ZINC000015066112 570831086 /nfs/dbraw/zinc/83/10/86/570831086.db2.gz GPHIBULBBSQLHL-INIZCTEOSA-N 1 0 373.880 4.458 50 0 FIAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc1F ZINC000015070121 570831435 /nfs/dbraw/zinc/83/14/35/570831435.db2.gz KGPZVMBDSWWOHK-AWEZNQCLSA-N 1 0 360.433 4.046 50 0 FIAARO O=C(CC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)Nc1ccccc1F ZINC000015070055 570831676 /nfs/dbraw/zinc/83/16/76/570831676.db2.gz VABZJPFPAQPATJ-IBGZPJMESA-N 1 0 354.469 4.499 50 0 FIAARO CCOc1ccccc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000015855947 570846062 /nfs/dbraw/zinc/84/60/62/570846062.db2.gz GEWNTFZNFVYHSP-UHFFFAOYSA-N 1 0 358.526 4.136 50 0 FIAARO COC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000015961724 570848313 /nfs/dbraw/zinc/84/83/13/570848313.db2.gz HBQRBJVGEOQLEF-HXUWFJFHSA-N 1 0 365.477 4.239 50 0 FIAARO CCC[NH+]1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000016580562 570858742 /nfs/dbraw/zinc/85/87/42/570858742.db2.gz BZKGRANQPFBPEJ-UHFFFAOYSA-N 1 0 350.915 4.467 50 0 FIAARO CCC[NH+](CCC)Cc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000017887635 570874350 /nfs/dbraw/zinc/87/43/50/570874350.db2.gz HTQUQHCFNDGTEN-UHFFFAOYSA-N 1 0 365.521 4.427 50 0 FIAARO CC1CCC([NH+]2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000019361721 570887301 /nfs/dbraw/zinc/88/73/01/570887301.db2.gz BOYXKYSPKLOEHY-UHFFFAOYSA-N 1 0 351.332 4.145 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000019781998 570902917 /nfs/dbraw/zinc/90/29/17/570902917.db2.gz LFAUWZYIDGQKHQ-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(F)F)cc1)[NH2+]CC2 ZINC000020507010 570919307 /nfs/dbraw/zinc/91/93/07/570919307.db2.gz SINHLHQOSAWPRQ-IBGZPJMESA-N 1 0 363.404 4.321 50 0 FIAARO COc1ccc(/C=C/C[N@@H+]2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)cc1 ZINC000020867571 570926012 /nfs/dbraw/zinc/92/60/12/570926012.db2.gz DCSIZZXGDVBKDD-NSCUHMNNSA-N 1 0 363.436 4.296 50 0 FIAARO Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170825 570929021 /nfs/dbraw/zinc/92/90/21/570929021.db2.gz UHIQVIYSIIDJEF-NRFANRHFSA-N 1 0 372.553 4.329 50 0 FIAARO FC(F)Oc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000022770236 570949710 /nfs/dbraw/zinc/94/97/10/570949710.db2.gz GOZVADUQGHRCDV-UHFFFAOYSA-N 1 0 357.356 4.460 50 0 FIAARO Cc1ccc(NC(=O)C[N@@H+](C)C2CCCCCC2)c(Br)c1 ZINC000023040015 570955233 /nfs/dbraw/zinc/95/52/33/570955233.db2.gz VGTAVGABJWRWLX-UHFFFAOYSA-N 1 0 353.304 4.351 50 0 FIAARO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccc(Cl)c1)c1cccs1 ZINC000023128788 570956916 /nfs/dbraw/zinc/95/69/16/570956916.db2.gz MMRZBAJCJJOIAT-INIZCTEOSA-N 1 0 361.898 4.279 50 0 FIAARO CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC)c1ccccc1 ZINC000023182548 570958452 /nfs/dbraw/zinc/95/84/52/570958452.db2.gz XPRRJJDXSXLYTE-FGZHOGPDSA-N 1 0 368.521 4.388 50 0 FIAARO CN(Cc1c[nH]nc1-c1ccccc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000023375444 570962790 /nfs/dbraw/zinc/96/27/90/570962790.db2.gz VYSCXUYOZKYDNF-HSZRJFAPSA-N 1 0 374.532 4.216 50 0 FIAARO CCc1cccc2c(C(=O)[C@H]([NH2+]CCCOC)c3ccccc3)c[nH]c21 ZINC000023426189 570963845 /nfs/dbraw/zinc/96/38/45/570963845.db2.gz JAIRAMHJAYCLBI-OAQYLSRUSA-N 1 0 350.462 4.280 50 0 FIAARO CC(C)C[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1 ZINC000023762783 570967471 /nfs/dbraw/zinc/96/74/71/570967471.db2.gz VGBUXPHEIKIHGH-INIZCTEOSA-N 1 0 367.518 4.350 50 0 FIAARO Cc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)sc2cccc(F)c12 ZINC000025330783 570993926 /nfs/dbraw/zinc/99/39/26/570993926.db2.gz BFXGMPBECVBQSS-CQSZACIVSA-N 1 0 362.495 4.443 50 0 FIAARO CSc1ccc(Cl)c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000025330088 570994084 /nfs/dbraw/zinc/99/40/84/570994084.db2.gz LCSJMCDONZSPMZ-OAHLLOKOSA-N 1 0 354.928 4.156 50 0 FIAARO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330820 570994353 /nfs/dbraw/zinc/99/43/53/570994353.db2.gz HJNJZTMGEHLLCV-INIZCTEOSA-N 1 0 371.531 4.213 50 0 FIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000027336213 571011629 /nfs/dbraw/zinc/01/16/29/571011629.db2.gz LFPUAEVYLZANGJ-HNNXBMFYSA-N 1 0 366.433 4.161 50 0 FIAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027580666 571013886 /nfs/dbraw/zinc/01/38/86/571013886.db2.gz QSRFTQHQIGFGRK-LJQANCHMSA-N 1 0 372.534 4.087 50 0 FIAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027580670 571014029 /nfs/dbraw/zinc/01/40/29/571014029.db2.gz QSRFTQHQIGFGRK-IBGZPJMESA-N 1 0 372.534 4.087 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604137 571015902 /nfs/dbraw/zinc/01/59/02/571015902.db2.gz YXQCQKILRCHKQQ-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO COc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027749553 571020400 /nfs/dbraw/zinc/02/04/00/571020400.db2.gz VYMTWIJEVSEEQQ-QGZVFWFLSA-N 1 0 358.507 4.104 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027989241 571024875 /nfs/dbraw/zinc/02/48/75/571024875.db2.gz LMYVQRAZTQQLDG-SFHVURJKSA-N 1 0 372.534 4.494 50 0 FIAARO CCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027989273 571025031 /nfs/dbraw/zinc/02/50/31/571025031.db2.gz RMHGVMCBPROFCT-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO COc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289376 571029666 /nfs/dbraw/zinc/02/96/66/571029666.db2.gz ZLCBCMVASDZGRH-LJQANCHMSA-N 1 0 354.494 4.025 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000028291900 571030392 /nfs/dbraw/zinc/03/03/92/571030392.db2.gz QLMCLUIXUUAHKS-OAQYLSRUSA-N 1 0 354.494 4.288 50 0 FIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000028296721 571030819 /nfs/dbraw/zinc/03/08/19/571030819.db2.gz HCDJNEJOECELJK-OAQYLSRUSA-N 1 0 374.528 4.248 50 0 FIAARO Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000028580904 571033194 /nfs/dbraw/zinc/03/31/94/571033194.db2.gz MCBLFXRANXDBSE-FQEVSTJZSA-N 1 0 351.446 4.030 50 0 FIAARO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000028580848 571033336 /nfs/dbraw/zinc/03/33/36/571033336.db2.gz MNBSEQDNCXVDEA-IBGZPJMESA-N 1 0 371.864 4.375 50 0 FIAARO C[C@H](C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)NC(=O)OC(C)(C)C ZINC000225422639 571033983 /nfs/dbraw/zinc/03/39/83/571033983.db2.gz PABFVXWEAJKDEX-OAHLLOKOSA-N 1 0 355.482 4.170 50 0 FIAARO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000029482359 571039968 /nfs/dbraw/zinc/03/99/68/571039968.db2.gz AHBSOUAKQWUYMJ-QGZVFWFLSA-N 1 0 364.367 4.143 50 0 FIAARO Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000001299050 571048424 /nfs/dbraw/zinc/04/84/24/571048424.db2.gz KBXLRLYDJOUBFG-NRFANRHFSA-N 1 0 361.489 4.269 50 0 FIAARO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000225773185 571064439 /nfs/dbraw/zinc/06/44/39/571064439.db2.gz BTEVLMCXJJGHCT-HXUWFJFHSA-N 1 0 374.488 4.017 50 0 FIAARO Cc1cc(C)c2nc(C)cc(C(=O)NCCC[NH+]3CCCCCC3)c2c1 ZINC000032961567 571068360 /nfs/dbraw/zinc/06/83/60/571068360.db2.gz JTVCXOFGOLTJMK-UHFFFAOYSA-N 1 0 353.510 4.156 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2cccnc21)c1ccsc1 ZINC000040089493 571074655 /nfs/dbraw/zinc/07/46/55/571074655.db2.gz SLWVDIMZEDVMDE-SFHVURJKSA-N 1 0 353.491 4.109 50 0 FIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012430154 571098705 /nfs/dbraw/zinc/09/87/05/571098705.db2.gz VVXUMBVYBGPFCM-DEOSSOPVSA-N 1 0 360.501 4.442 50 0 FIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)ccc2c1 ZINC000012436022 571102066 /nfs/dbraw/zinc/10/20/66/571102066.db2.gz XBTGMSHPLDNZHQ-OAQYLSRUSA-N 1 0 360.457 4.338 50 0 FIAARO CCN(CC)c1nc(C)cc(C)c1CN(CC[NH+](C)C)Cc1ccccc1 ZINC000071766956 571107105 /nfs/dbraw/zinc/10/71/05/571107105.db2.gz GEIHUAOLTJAKOK-UHFFFAOYSA-N 1 0 368.569 4.108 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 ZINC000012807851 571111464 /nfs/dbraw/zinc/11/14/64/571111464.db2.gz GLEMOMJDHXZUQL-OAHLLOKOSA-N 1 0 355.240 4.165 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@H]1CCCO1 ZINC000243932482 571112910 /nfs/dbraw/zinc/11/29/10/571112910.db2.gz BVVJWZQKOZEEHZ-HXUWFJFHSA-N 1 0 363.461 4.226 50 0 FIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000009613665 571115219 /nfs/dbraw/zinc/11/52/19/571115219.db2.gz HRIHYDAYRCDODW-UHFFFAOYSA-N 1 0 369.852 4.090 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000012820666 571121835 /nfs/dbraw/zinc/12/18/35/571121835.db2.gz HQXICNVTSHQVAP-GFCCVEGCSA-N 1 0 364.898 4.276 50 0 FIAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012849428 571128808 /nfs/dbraw/zinc/12/88/08/571128808.db2.gz YNUFYWCKIMEJDS-IBGZPJMESA-N 1 0 366.436 4.447 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000015831717 571130730 /nfs/dbraw/zinc/13/07/30/571130730.db2.gz ORLLOUDATQRVKN-GOSISDBHSA-N 1 0 371.912 4.335 50 0 FIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000015831711 571130781 /nfs/dbraw/zinc/13/07/81/571130781.db2.gz VKAMYKWPBGQKKL-SFHVURJKSA-N 1 0 371.912 4.335 50 0 FIAARO Oc1cccc(C2CC[NH+](C[C@H]3CCCN3Cc3ccccc3)CC2)c1 ZINC000252482392 571131833 /nfs/dbraw/zinc/13/18/33/571131833.db2.gz DEMZIUPBLJNJLG-JOCHJYFZSA-N 1 0 350.506 4.236 50 0 FIAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CCCc2cccnc2)CC1 ZINC000252500723 571133309 /nfs/dbraw/zinc/13/33/09/571133309.db2.gz TUOZBTDDAYGCMZ-UHFFFAOYSA-N 1 0 364.411 4.017 50 0 FIAARO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000015862315 571138509 /nfs/dbraw/zinc/13/85/09/571138509.db2.gz IIAANBQGHYNHTO-UHFFFAOYSA-N 1 0 364.489 4.102 50 0 FIAARO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2n1 ZINC000012899930 571143034 /nfs/dbraw/zinc/14/30/34/571143034.db2.gz VJTKGSBPTXATDE-HXUWFJFHSA-N 1 0 363.461 4.093 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012910676 571143716 /nfs/dbraw/zinc/14/37/16/571143716.db2.gz UJNDJOLDELECBW-UWJYYQICSA-N 1 0 352.478 4.100 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000020414558 571143800 /nfs/dbraw/zinc/14/38/00/571143800.db2.gz ZXCWVCFSHLTTCG-CQSZACIVSA-N 1 0 358.532 4.235 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000012928788 571146423 /nfs/dbraw/zinc/14/64/23/571146423.db2.gz PBNDICLNGYRMOW-MRXNPFEDSA-N 1 0 355.240 4.165 50 0 FIAARO CC(C)[C@H]1CN(Cc2cncn2C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071523733 571162511 /nfs/dbraw/zinc/16/25/11/571162511.db2.gz MAJAASZAENFQTR-JOCHJYFZSA-N 1 0 372.532 4.336 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071762759 571165785 /nfs/dbraw/zinc/16/57/85/571165785.db2.gz UAWRJINHGOQMNJ-HNNXBMFYSA-N 1 0 360.452 4.031 50 0 FIAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000071769287 571166317 /nfs/dbraw/zinc/16/63/17/571166317.db2.gz MFBIEHOAYFFRSW-XMMPIXPASA-N 1 0 357.497 4.487 50 0 FIAARO C[C@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 ZINC000024798566 571166335 /nfs/dbraw/zinc/16/63/35/571166335.db2.gz WTLJONSCQMTXQQ-KBXCAEBGSA-N 1 0 368.443 4.017 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ncsc2c1)c1cc2ccccc2o1 ZINC000575620020 571172668 /nfs/dbraw/zinc/17/26/68/571172668.db2.gz HPPQKJJMEWALJL-INIZCTEOSA-N 1 0 365.458 4.075 50 0 FIAARO CCc1nc(C)sc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072151940 571174484 /nfs/dbraw/zinc/17/44/84/571174484.db2.gz YSOOEZUCNYEOQO-VLCRHTCISA-N 1 0 367.562 4.076 50 0 FIAARO CCCCC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000072157058 571175022 /nfs/dbraw/zinc/17/50/22/571175022.db2.gz XEFZKGVKZFPLLP-QGZVFWFLSA-N 1 0 364.480 4.216 50 0 FIAARO Cc1nc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)c2ccccn12 ZINC000072161227 571175628 /nfs/dbraw/zinc/17/56/28/571175628.db2.gz QDXDMCBAGNCQKO-UHFFFAOYSA-N 1 0 359.477 4.207 50 0 FIAARO Cc1nc2c(nc(SCC[NH+]3CCCC3)nc2-c2ccccc2)s1 ZINC000035682634 571187374 /nfs/dbraw/zinc/18/73/74/571187374.db2.gz KAWGLLIWBXAPCC-UHFFFAOYSA-N 1 0 356.520 4.250 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000299770350 571195633 /nfs/dbraw/zinc/19/56/33/571195633.db2.gz QEFZNIZFGKNQPO-MRXNPFEDSA-N 1 0 352.453 4.192 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000299778842 571197304 /nfs/dbraw/zinc/19/73/04/571197304.db2.gz OSWNZGKKZKGOHQ-KRWDZBQOSA-N 1 0 352.482 4.259 50 0 FIAARO O=C1CC[C@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1Cc1ccncc1 ZINC000072473293 571198532 /nfs/dbraw/zinc/19/85/32/571198532.db2.gz GEAANTHNFSBIDV-QHCPKHFHSA-N 1 0 369.553 4.257 50 0 FIAARO COc1ccc2cc(C[N@@H+]3CC[C@@H](O)C3)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072475913 571199164 /nfs/dbraw/zinc/19/91/64/571199164.db2.gz FXIJHRGKNQWHCG-GOSISDBHSA-N 1 0 368.864 4.130 50 0 FIAARO CCCCCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072480798 571199730 /nfs/dbraw/zinc/19/97/30/571199730.db2.gz HJJDRLHBJJGRBA-UHFFFAOYSA-N 1 0 358.917 4.402 50 0 FIAARO CC(C)n1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299794165 571201571 /nfs/dbraw/zinc/20/15/71/571201571.db2.gz IFYIJDBUNLLXKX-UHOSZYNNSA-N 1 0 363.465 4.207 50 0 FIAARO CC(C)c1cnc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192393175 571201708 /nfs/dbraw/zinc/20/17/08/571201708.db2.gz MTKPMDYVWJFGLX-KRWDZBQOSA-N 1 0 372.538 4.252 50 0 FIAARO O=C1C[C@H](C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)CN1c1ccccc1 ZINC000299795552 571201884 /nfs/dbraw/zinc/20/18/84/571201884.db2.gz LRINYSDTKQTDSH-GOSISDBHSA-N 1 0 359.473 4.185 50 0 FIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cncc(Cl)c2)cc1 ZINC000077486906 571213551 /nfs/dbraw/zinc/21/35/51/571213551.db2.gz QLFZBJNAAJPWGV-IBGZPJMESA-N 1 0 357.885 4.164 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4ccccc4)C3)C2)o1 ZINC000082121944 571228798 /nfs/dbraw/zinc/22/87/98/571228798.db2.gz JSJLFZQXXYFFLZ-QHCPKHFHSA-N 1 0 366.505 4.035 50 0 FIAARO C[NH+](C)[C@H]1CCCCN(Cc2c(-c3ccc(F)cc3)nc3ccccn32)C1 ZINC000082156162 571229254 /nfs/dbraw/zinc/22/92/54/571229254.db2.gz JNUBXSQAWZIVDK-IBGZPJMESA-N 1 0 366.484 4.057 50 0 FIAARO CCC[N@@H+]1CCc2nc(SCc3c(C)cc(C)cc3C)[nH]c(=O)c2C1 ZINC000033287216 571230135 /nfs/dbraw/zinc/23/01/35/571230135.db2.gz ZYVVESYXEQBIAU-UHFFFAOYSA-N 1 0 357.523 4.168 50 0 FIAARO C[C@H](O)c1ccc(-c2cccc(C(=O)NCCCC[NH+]3CCCC3)c2)cc1 ZINC000426544670 571231036 /nfs/dbraw/zinc/23/10/36/571231036.db2.gz HVGXIBLGAIZZIC-SFHVURJKSA-N 1 0 366.505 4.013 50 0 FIAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000426595085 571232806 /nfs/dbraw/zinc/23/28/06/571232806.db2.gz SUJHZLHWUYNEHA-UHFFFAOYSA-N 1 0 366.505 4.397 50 0 FIAARO O=C(c1ccc(-c2cc(Cl)ccc2F)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000426727501 571236722 /nfs/dbraw/zinc/23/67/22/571236722.db2.gz NUVJGPJILMVTHZ-OAQYLSRUSA-N 1 0 372.871 4.362 50 0 FIAARO COc1ccccc1[C@H](C[NH2+]Cc1c(OC)ccc2ccccc21)N(C)C ZINC000023248972 571237523 /nfs/dbraw/zinc/23/75/23/571237523.db2.gz HMMXZBSAMHNOFX-NRFANRHFSA-N 1 0 364.489 4.250 50 0 FIAARO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000091504070 571240263 /nfs/dbraw/zinc/24/02/63/571240263.db2.gz YADDUUAADFSXRS-CYBMUJFWSA-N 1 0 369.852 4.020 50 0 FIAARO CC(=O)c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)cs1 ZINC000091665722 571242100 /nfs/dbraw/zinc/24/21/00/571242100.db2.gz LAWPSIQPDBICQY-OAQYLSRUSA-N 1 0 374.550 4.098 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000036413162 571254022 /nfs/dbraw/zinc/25/40/22/571254022.db2.gz RSRKVJNOMGPRTD-QRWLVFNGSA-N 1 0 356.441 4.307 50 0 FIAARO CCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000065285367 571260060 /nfs/dbraw/zinc/26/00/60/571260060.db2.gz DUDLGJTUSYELGZ-GOSISDBHSA-N 1 0 364.493 4.230 50 0 FIAARO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000170607980 571267240 /nfs/dbraw/zinc/26/72/40/571267240.db2.gz IPFHWUGWWWWWAX-IBGZPJMESA-N 1 0 374.529 4.200 50 0 FIAARO C[C@@H]1C[C@@H]([NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@H](C)O1 ZINC000252479295 571279919 /nfs/dbraw/zinc/27/99/19/571279919.db2.gz BCQJMWVLQQDVBK-CSFFLVESSA-N 1 0 366.546 4.100 50 0 FIAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000252512962 571281906 /nfs/dbraw/zinc/28/19/06/571281906.db2.gz WXNKBJPVPSVNKL-PMACEKPBSA-N 1 0 372.459 4.225 50 0 FIAARO CN(C)C[C@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000095406252 571329353 /nfs/dbraw/zinc/32/93/53/571329353.db2.gz WRQIOPUOMJVHBX-NRFANRHFSA-N 1 0 370.500 4.394 50 0 FIAARO c1cc(-c2nc(CNc3cnn(CC[NH+]4CCCCC4)c3)cs2)cs1 ZINC000095462161 571330289 /nfs/dbraw/zinc/33/02/89/571330289.db2.gz DFLGDWHGLKNHOD-UHFFFAOYSA-N 1 0 373.551 4.166 50 0 FIAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020893196 571331935 /nfs/dbraw/zinc/33/19/35/571331935.db2.gz UFHCRAUZHHRQFM-UHFFFAOYSA-N 1 0 366.465 4.133 50 0 FIAARO Clc1cccc(-c2noc(CN3CCC[N@@H+](C4CCCCC4)CC3)n2)c1 ZINC000020910402 571331993 /nfs/dbraw/zinc/33/19/93/571331993.db2.gz LUUDXGZNFZPJFY-UHFFFAOYSA-N 1 0 374.916 4.230 50 0 FIAARO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000095983709 571333365 /nfs/dbraw/zinc/33/33/65/571333365.db2.gz WZWRUHLLHMZFMJ-FXAWDEMLSA-N 1 0 367.468 4.228 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000021174956 571333510 /nfs/dbraw/zinc/33/35/10/571333510.db2.gz JCDDODNGZXZMAL-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO CC(C)[NH+](C[C@@H](COc1ccccc1)OC(=O)Cc1ccccc1)C(C)C ZINC000096027892 571334129 /nfs/dbraw/zinc/33/41/29/571334129.db2.gz OFALHIWDYWGGFE-QFIPXVFZSA-N 1 0 369.505 4.339 50 0 FIAARO C[NH+](C)C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000096997356 571336530 /nfs/dbraw/zinc/33/65/30/571336530.db2.gz KSEJGYKHLHOGMF-MRXNPFEDSA-N 1 0 352.265 4.418 50 0 FIAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000670446959 571351005 /nfs/dbraw/zinc/35/10/05/571351005.db2.gz YPBSPOMSPLXGLE-FQEVSTJZSA-N 1 0 373.566 4.475 50 0 FIAARO COc1cc(C[NH2+][C@H](C)CC(C)(C)c2ccc(C)o2)cc(OC)c1OC ZINC000005031670 1086488735 /nfs/dbraw/zinc/48/87/35/1086488735.db2.gz CGZOEOOHLXWGDL-CQSZACIVSA-N 1 0 361.482 4.460 50 0 FIAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000019830749 1089597330 /nfs/dbraw/zinc/59/73/30/1089597330.db2.gz NGESLXVAJOLVMR-JOCHJYFZSA-N 1 0 355.570 4.162 50 0 FIAARO COCC1(F)CC[NH+](Cc2c(-c3cccc(C)c3)nc3ccccn32)CC1 ZINC000257177372 1090256003 /nfs/dbraw/zinc/25/60/03/1090256003.db2.gz BAHSGMZGHFLITM-UHFFFAOYSA-N 1 0 367.468 4.260 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CC2(C[C@@H]1COc1ccncc1)CCCCC2 ZINC000257188808 1090315120 /nfs/dbraw/zinc/31/51/20/1090315120.db2.gz GJPVSCBIRIZJFJ-GOSISDBHSA-N 1 0 355.482 4.290 50 0 FIAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)CC2)CC1 ZINC000257194358 1090332115 /nfs/dbraw/zinc/33/21/15/1090332115.db2.gz TXKNHOWAFIDSSS-FQEVSTJZSA-N 1 0 354.538 4.079 50 0 FIAARO CC[NH+](CC)C/C=C\c1c(F)c(F)c(NC[C@@H]2CCCO2)c(F)c1F ZINC000006470076 1090791572 /nfs/dbraw/zinc/79/15/72/1090791572.db2.gz ZFHMXJQVTWJMTK-JECSTDCCSA-N 1 0 360.395 4.189 50 0 FIAARO CC(C)n1cc(C[N@@H+]2CCC[C@H]2CCc2noc(-c3ccccc3)n2)cn1 ZINC000675019080 1090900606 /nfs/dbraw/zinc/90/06/06/1090900606.db2.gz ACBVQFIOGWQIEQ-IBGZPJMESA-N 1 0 365.481 4.111 50 0 FIAARO Cc1ccc2nc(N3CCC([NH2+]Cc4ccc(F)cc4)CC3)nc(C)c2c1 ZINC000014881203 1091697907 /nfs/dbraw/zinc/69/79/07/1091697907.db2.gz FWKUOSVAQUKVDG-UHFFFAOYSA-N 1 0 364.468 4.144 50 0 FIAARO O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150742395 1114101737 /nfs/dbraw/zinc/10/17/37/1114101737.db2.gz FOLDRJILZGFYHJ-SFHVURJKSA-N 1 0 356.441 4.176 50 0 FIAARO CC(N=Nc1ncccc1Cl)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000254520275 1114184911 /nfs/dbraw/zinc/18/49/11/1114184911.db2.gz BQLXDDIXWNGDBH-UHFFFAOYSA-N 1 0 358.873 4.263 50 0 FIAARO Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CCC([NH3+])CC3)c2cc1C ZINC000157668956 1115225423 /nfs/dbraw/zinc/22/54/23/1115225423.db2.gz WIXWCPWREDDUFH-UHFFFAOYSA-N 1 0 359.473 4.082 50 0 FIAARO O=C(/C=C/c1c[nH]c2ccccc12)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011770961 1125088020 /nfs/dbraw/zinc/08/80/20/1125088020.db2.gz INBRAZJSJGRQGE-IWGBCORSSA-N 1 0 373.500 4.004 50 0 FIAARO Fc1ccccc1CN1CCC[C@@]2(CC[N@@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818181 1125151588 /nfs/dbraw/zinc/15/15/88/1125151588.db2.gz DEPUZRWFKRGPKH-XMMPIXPASA-N 1 0 364.508 4.281 50 0 FIAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000000938477 203964537 /nfs/dbraw/zinc/96/45/37/203964537.db2.gz FSLBETMIUNCTHO-FQEVSTJZSA-N 1 0 364.489 4.164 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330482 204010182 /nfs/dbraw/zinc/01/01/82/204010182.db2.gz IEKCLZPHNPSECB-QFIPXVFZSA-N 1 0 362.473 4.271 50 0 FIAARO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc32)CC1 ZINC000001488294 204010189 /nfs/dbraw/zinc/01/01/89/204010189.db2.gz MDMJLMDBRQXOOI-UHFFFAOYSA-N 1 0 351.425 4.369 50 0 in-vitro FIAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000002934086 204068594 /nfs/dbraw/zinc/06/85/94/204068594.db2.gz IHLBMNRMXCZELE-CQSZACIVSA-N 1 0 362.930 4.057 50 0 FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934075 204068675 /nfs/dbraw/zinc/06/86/75/204068675.db2.gz YIBRVKWZQHETQT-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c1 ZINC000003025932 204074155 /nfs/dbraw/zinc/07/41/55/204074155.db2.gz KUSMJVHRBZPAHQ-HNNXBMFYSA-N 1 0 374.579 4.125 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1 ZINC000003036816 204074381 /nfs/dbraw/zinc/07/43/81/204074381.db2.gz FVFCNFWRWXDJGX-AWEZNQCLSA-N 1 0 363.552 4.323 50 0 FIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(SC)c2)CC1 ZINC000003060192 204077457 /nfs/dbraw/zinc/07/74/57/204077457.db2.gz WMTBKWOPUORVIQ-AWEZNQCLSA-N 1 0 351.585 4.300 50 0 FIAARO C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000002644342 204048802 /nfs/dbraw/zinc/04/88/02/204048802.db2.gz KICAIDABOXNMQQ-UHFFFAOYSA-N 1 0 372.925 4.474 50 0 FIAARO O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000002662643 204050795 /nfs/dbraw/zinc/05/07/95/204050795.db2.gz BYAMWNBPPCGXMO-OAQYLSRUSA-N 1 0 357.881 4.007 50 0 FIAARO CSc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000002734683 204053666 /nfs/dbraw/zinc/05/36/66/204053666.db2.gz CWOWIRJPMBWQPC-FQEVSTJZSA-N 1 0 368.546 4.279 50 0 FIAARO C[N@H+](CCOC(=O)COc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000002812635 204060932 /nfs/dbraw/zinc/06/09/32/204060932.db2.gz YQUHYEWDJGNKNA-UHFFFAOYSA-N 1 0 355.478 4.038 50 0 FIAARO O=C(CCC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000004212951 204126868 /nfs/dbraw/zinc/12/68/68/204126868.db2.gz ICAYNKLSQSKOJZ-JOCHJYFZSA-N 1 0 373.443 4.373 50 0 FIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000003384429 204096758 /nfs/dbraw/zinc/09/67/58/204096758.db2.gz UTGOQXNLNILSOL-FQEVSTJZSA-N 1 0 351.446 4.030 50 0 FIAARO CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)[NH+]1CCCC1)CCCC2 ZINC000004193656 204127760 /nfs/dbraw/zinc/12/77/60/204127760.db2.gz BIYGJTHCMFLRFT-LJQANCHMSA-N 1 0 355.507 4.166 50 0 FIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)c1 ZINC000004678182 204154728 /nfs/dbraw/zinc/15/47/28/204154728.db2.gz UBFGAIHRWAPZPF-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(F)cc1 ZINC000004450522 204140221 /nfs/dbraw/zinc/14/02/21/204140221.db2.gz UFCUKBNECQCXFF-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000004554766 204146560 /nfs/dbraw/zinc/14/65/60/204146560.db2.gz SXQZUQBLCTYYIL-UHFFFAOYSA-N 1 0 352.478 4.307 50 0 FIAARO CCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc1 ZINC000004960433 204180343 /nfs/dbraw/zinc/18/03/43/204180343.db2.gz YJXBYAGTSQAGGN-UHFFFAOYSA-N 1 0 374.488 4.154 50 0 FIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000004989023 204183816 /nfs/dbraw/zinc/18/38/16/204183816.db2.gz IKFWOZBFODVSBC-HXUWFJFHSA-N 1 0 353.462 4.041 50 0 FIAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000004989447 204183908 /nfs/dbraw/zinc/18/39/08/204183908.db2.gz MVKZGZCREWMCBX-UHFFFAOYSA-N 1 0 360.295 4.241 50 0 FIAARO C[C@@H]1CCc2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)csc2C1 ZINC000005070277 204190351 /nfs/dbraw/zinc/19/03/51/204190351.db2.gz AVVNEWJXYUZRLH-MRXNPFEDSA-N 1 0 368.546 4.051 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c21 ZINC000006510555 204250248 /nfs/dbraw/zinc/25/02/48/204250248.db2.gz HAEJEBUTPRAEQA-INIZCTEOSA-N 1 0 367.522 4.266 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c21 ZINC000006510554 204250875 /nfs/dbraw/zinc/25/08/75/204250875.db2.gz HAEJEBUTPRAEQA-MRXNPFEDSA-N 1 0 367.522 4.266 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2sccc2C)[NH+]2CCCCC2)cc1 ZINC000006640050 204257375 /nfs/dbraw/zinc/25/73/75/204257375.db2.gz JSGKIAHSSUYVIK-SFHVURJKSA-N 1 0 358.507 4.022 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000006832886 204274812 /nfs/dbraw/zinc/27/48/12/204274812.db2.gz FTKGUSQLDLXKBE-OAQYLSRUSA-N 1 0 361.489 4.431 50 0 FIAARO Cc1ccc2c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)coc2c1 ZINC000008192388 204322256 /nfs/dbraw/zinc/32/22/56/204322256.db2.gz WIBKEFAVEJUDEI-UHFFFAOYSA-N 1 0 362.473 4.065 50 0 FIAARO Cc1nc2ccccc2n1Cc1ccc(C(=O)NCc2ccc(C)cc2)o1 ZINC000035597055 204323430 /nfs/dbraw/zinc/32/34/30/204323430.db2.gz IXVVGZMPCCGING-UHFFFAOYSA-N 1 0 359.429 4.224 50 0 FIAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008328998 204327537 /nfs/dbraw/zinc/32/75/37/204327537.db2.gz LVPYIAZWVJZZBR-RDTXWAMCSA-N 1 0 356.491 4.239 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 ZINC000008431232 204330958 /nfs/dbraw/zinc/33/09/58/204330958.db2.gz HVNJDMZSOSNHFZ-UHFFFAOYSA-N 1 0 372.559 4.157 50 0 FIAARO C[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000007546223 204300088 /nfs/dbraw/zinc/30/00/88/204300088.db2.gz UWIONZDQQKLGDV-ZBUBOIOXSA-N 1 0 352.522 4.201 50 0 FIAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C)c1C ZINC000009218319 204358275 /nfs/dbraw/zinc/35/82/75/204358275.db2.gz VBERIVLYKLJVOF-ZBFHGGJFSA-N 1 0 356.466 4.039 50 0 FIAARO CCCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000009376418 204365838 /nfs/dbraw/zinc/36/58/38/204365838.db2.gz QTCOMTZECMDKQB-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917507 204385743 /nfs/dbraw/zinc/38/57/43/204385743.db2.gz QGQLGVJSTIVENZ-UHFFFAOYSA-N 1 0 359.473 4.049 50 0 FIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000012788018 204495819 /nfs/dbraw/zinc/49/58/19/204495819.db2.gz DMNDUPZFTARMOY-SJKOYZFVSA-N 1 0 359.267 4.053 50 0 FIAARO Cc1ccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000013768878 204553010 /nfs/dbraw/zinc/55/30/10/204553010.db2.gz XEOYODXJOQUMJK-UHFFFAOYSA-N 1 0 351.857 4.234 50 0 FIAARO CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000015831530 204622072 /nfs/dbraw/zinc/62/20/72/204622072.db2.gz MEFOAIPIBIKBGV-HXUWFJFHSA-N 1 0 372.553 4.230 50 0 FIAARO CCC[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000016605132 204636788 /nfs/dbraw/zinc/63/67/88/204636788.db2.gz KDLRYVZURFLPEC-UHFFFAOYSA-N 1 0 354.878 4.298 50 0 FIAARO C[NH+]1CCN([C@@H]2Cc3cc(F)ccc3Sc3ccc(Cl)cc32)CC1 ZINC000019802218 204709439 /nfs/dbraw/zinc/70/94/39/204709439.db2.gz AJXGZNWTRBHLQF-QGZVFWFLSA-N 1 0 362.901 4.475 50 0 FIAARO CC(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000021170594 204748763 /nfs/dbraw/zinc/74/87/63/204748763.db2.gz CFVULFRPYYPYGH-OAQYLSRUSA-N 1 0 372.553 4.446 50 0 FIAARO CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027584143 204865886 /nfs/dbraw/zinc/86/58/86/204865886.db2.gz IAZIYCRCNGOEJX-GOSISDBHSA-N 1 0 372.534 4.494 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036096128 205002970 /nfs/dbraw/zinc/00/29/70/205002970.db2.gz LSDYKVNKKUZYIT-OAQYLSRUSA-N 1 0 371.521 4.156 50 0 biogenic FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(OC)cc1 ZINC000036098937 205006032 /nfs/dbraw/zinc/00/60/32/205006032.db2.gz FNQQZCMZUHDVRR-FPOVZHCZSA-N 1 0 371.521 4.352 50 0 FIAARO O[C@H](COc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103505 205006077 /nfs/dbraw/zinc/00/60/77/205006077.db2.gz YNOAYDWAHUXGLE-IBGZPJMESA-N 1 0 371.477 4.329 50 0 FIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2cccc(C)c2)cc1 ZINC000036100738 205006105 /nfs/dbraw/zinc/00/61/05/205006105.db2.gz BVSDMZCIMSDTSB-NRFANRHFSA-N 1 0 371.521 4.292 50 0 FIAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CC1 ZINC000036392996 205014684 /nfs/dbraw/zinc/01/46/84/205014684.db2.gz OJWCZAJTDPUWLQ-UHFFFAOYSA-N 1 0 360.461 4.114 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000036692883 205019915 /nfs/dbraw/zinc/01/99/15/205019915.db2.gz BOKYVDOWQVRBRG-KRWDZBQOSA-N 1 0 362.420 4.101 50 0 FIAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037570664 205029941 /nfs/dbraw/zinc/02/99/41/205029941.db2.gz INNIYZQKDGFNEJ-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO COc1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(F)cc2)cc2occc21 ZINC000072259205 205030304 /nfs/dbraw/zinc/03/03/04/205030304.db2.gz QOSSCLHFSXLUCW-GOSISDBHSA-N 1 0 370.424 4.003 50 0 FIAARO CC(C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000040090762 205054609 /nfs/dbraw/zinc/05/46/09/205054609.db2.gz JLHFXBPYTRUOCR-QGZVFWFLSA-N 1 0 356.432 4.192 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044933451 205115071 /nfs/dbraw/zinc/11/50/71/205115071.db2.gz AUBAGMNWYWKJCB-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC)cc1 ZINC000044936461 205115657 /nfs/dbraw/zinc/11/56/57/205115657.db2.gz PTBMCDWUODCNBK-NRFANRHFSA-N 1 0 352.478 4.172 50 0 FIAARO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC000045404689 205121452 /nfs/dbraw/zinc/12/14/52/205121452.db2.gz IABBSCNFKQSVJB-GOSISDBHSA-N 1 0 351.922 4.211 50 0 FIAARO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047302289 205145165 /nfs/dbraw/zinc/14/51/65/205145165.db2.gz BWYCZMMBCUGQOO-SFHVURJKSA-N 1 0 350.506 4.338 50 0 FIAARO Cc1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCC(C)CC2)cc1 ZINC000046078305 205131573 /nfs/dbraw/zinc/13/15/73/205131573.db2.gz NSYVRUOKQJQJQD-UHFFFAOYSA-N 1 0 353.514 4.298 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000051329952 205181737 /nfs/dbraw/zinc/18/17/37/205181737.db2.gz QCNFXBFFQZTQHX-SFHVURJKSA-N 1 0 367.518 4.494 50 0 FIAARO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc([C@@H]3CCCCO3)o2)s1 ZINC000055060458 205205255 /nfs/dbraw/zinc/20/52/55/205205255.db2.gz JCAOKGCNLNZNBD-IBGZPJMESA-N 1 0 362.539 4.455 50 0 FIAARO CC[C@H](C)N(Cc1ccccc1F)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000055053515 205205421 /nfs/dbraw/zinc/20/54/21/205205421.db2.gz AMADMKVHIZKRCQ-KRWDZBQOSA-N 1 0 372.484 4.458 50 0 FIAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@@H](C)c2cn3ccsc3n2)c1C ZINC000055283255 205212735 /nfs/dbraw/zinc/21/27/35/205212735.db2.gz REQLCCKCVNKYRD-HNNXBMFYSA-N 1 0 371.506 4.235 50 0 FIAARO Cc1cc(=O)oc2cc(C[N@@H+](Cc3ccsc3)C[C@@H]3CCCO3)ccc12 ZINC000055253081 205213673 /nfs/dbraw/zinc/21/36/73/205213673.db2.gz GEXKBRVHELNPII-SFHVURJKSA-N 1 0 369.486 4.344 50 0 FIAARO CCOC(=O)C[C@@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(C)cc1 ZINC000055399204 205218025 /nfs/dbraw/zinc/21/80/25/205218025.db2.gz LGCHBNXZUXDFSH-LJQANCHMSA-N 1 0 371.477 4.186 50 0 FIAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000058158644 205250599 /nfs/dbraw/zinc/25/05/99/205250599.db2.gz CDLAFVSQMMCIFZ-SFHVURJKSA-N 1 0 356.469 4.343 50 0 FIAARO CCCN(C)c1ccc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000058162412 205252475 /nfs/dbraw/zinc/25/24/75/205252475.db2.gz FNZAXLUEKUCKQQ-UHFFFAOYSA-N 1 0 367.537 4.303 50 0 FIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000058522035 205275390 /nfs/dbraw/zinc/27/53/90/205275390.db2.gz KFPGUDSFPVFXQC-CQSZACIVSA-N 1 0 373.419 4.219 50 0 FIAARO O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255114 205330136 /nfs/dbraw/zinc/33/01/36/205330136.db2.gz AXBUIJIOAIAXRQ-UHFFFAOYSA-N 1 0 368.868 4.038 50 0 FIAARO Cc1noc(C)c1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000065493904 205355366 /nfs/dbraw/zinc/35/53/66/205355366.db2.gz BSNBRXICDQVVTQ-UHFFFAOYSA-N 1 0 361.445 4.102 50 0 FIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)c4ccc(F)cc4)CC3)c2c1 ZINC000065518577 205357923 /nfs/dbraw/zinc/35/79/23/205357923.db2.gz XCBIDBUCUGYESX-JOCHJYFZSA-N 1 0 368.452 4.229 50 0 FIAARO Cc1ccc2cc3cc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)oc3nc2c1 ZINC000065331021 205337075 /nfs/dbraw/zinc/33/70/75/205337075.db2.gz RXYSORBOUWOUKW-MRXNPFEDSA-N 1 0 365.477 4.141 50 0 FIAARO c1ccc2ncc(-c3cc([C@@H]4CC[N@@H+](Cc5cncnc5)C4)ccn3)cc2c1 ZINC000065366174 205339852 /nfs/dbraw/zinc/33/98/52/205339852.db2.gz NDQQDINFKAUXKY-HXUWFJFHSA-N 1 0 367.456 4.076 50 0 FIAARO C/C=C(\CC)c1c(-c2ccccc2)ncn1C[C@@H](CC)[NH+]1CCN(C)CC1 ZINC000065399378 205346681 /nfs/dbraw/zinc/34/66/81/205346681.db2.gz BEMPTICGTUDWEK-WTBJVOFZSA-N 1 0 366.553 4.389 50 0 FIAARO C/C=C(\CC)c1c(-c2ccccc2)ncn1C[C@H](CC)[NH+]1CCN(C)CC1 ZINC000065399377 205347466 /nfs/dbraw/zinc/34/74/66/205347466.db2.gz BEMPTICGTUDWEK-IJIFQXLKSA-N 1 0 366.553 4.389 50 0 FIAARO Cc1cncc(NC(=O)c2cccc(C[N@@H+]3CCC[C@H]3c3ccccn3)c2)c1 ZINC000067723967 205388069 /nfs/dbraw/zinc/38/80/69/205388069.db2.gz GLKOFFHADXJLRY-QFIPXVFZSA-N 1 0 372.472 4.374 50 0 FIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067841372 205395357 /nfs/dbraw/zinc/39/53/57/205395357.db2.gz XFXIZHAWAAVUCR-SFHVURJKSA-N 1 0 371.488 4.163 50 0 FIAARO OCc1cc2ccccc2nc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071416097 205429454 /nfs/dbraw/zinc/42/94/54/205429454.db2.gz LDNWUTAIXDDWOS-HXUWFJFHSA-N 1 0 362.473 4.174 50 0 FIAARO C1CC1c1nc2sc3c(c2c(N2CC[C@@H]([NH+]4CCCC4)C2)n1)CCCC3 ZINC000072089510 205465207 /nfs/dbraw/zinc/46/52/07/205465207.db2.gz VYAZWWDZZSIXSI-OAHLLOKOSA-N 1 0 368.550 4.122 50 0 FIAARO Cc1c(F)cccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095388662 205749363 /nfs/dbraw/zinc/74/93/63/205749363.db2.gz SXRXZFXNVRYLPC-FQEVSTJZSA-N 1 0 366.480 4.115 50 0 FIAARO Clc1ccc2nc(N3CCC([NH2+]CCc4ccncc4)CC3)sc2c1 ZINC000095531730 205786172 /nfs/dbraw/zinc/78/61/72/205786172.db2.gz UKQXYTPLOCCPNI-UHFFFAOYSA-N 1 0 372.925 4.146 50 0 FIAARO COc1ccc(-c2ccccc2)cc1NC(=O)N1CC([NH+]2CCCCC2)C1 ZINC000096164480 205843598 /nfs/dbraw/zinc/84/35/98/205843598.db2.gz RLRXALOPURZOJY-UHFFFAOYSA-N 1 0 365.477 4.064 50 0 FIAARO Cc1ccc(-n2cc(CN3CC[N@H+](C)[C@@H](C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000107006836 206017064 /nfs/dbraw/zinc/01/70/64/206017064.db2.gz FPYHEOQFRJSJIJ-FQEVSTJZSA-N 1 0 374.532 4.292 50 0 FIAARO COc1ccc(C[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)cc1 ZINC000002119239 206151972 /nfs/dbraw/zinc/15/19/72/206151972.db2.gz HSKOMYSWFSXSNI-MHXAIHSWSA-N 1 0 367.489 4.019 50 0 biogenic FIAARO Cc1ccccc1CC1CC[NH+](CCCNC(=O)Nc2ccccc2)CC1 ZINC000005068718 206188165 /nfs/dbraw/zinc/18/81/65/206188165.db2.gz YCEAYDDMEZMWTE-UHFFFAOYSA-N 1 0 365.521 4.461 50 0 FIAARO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624281 206204450 /nfs/dbraw/zinc/20/44/50/206204450.db2.gz GBKABQYFPHCHBR-FQEVSTJZSA-N 1 0 368.477 4.289 50 0 biogenic FIAARO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3sccc3Cl)ccc2NC1=O ZINC000170615838 206275063 /nfs/dbraw/zinc/27/50/63/206275063.db2.gz WURZXPFKLMGXKZ-HZMBPMFUSA-N 1 0 350.871 4.362 50 0 FIAARO CC(C)n1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613452 206274479 /nfs/dbraw/zinc/27/44/79/206274479.db2.gz DYZYWLXCIRNQDI-XLIONFOSSA-N 1 0 353.510 4.217 50 0 FIAARO Cc1nccn1-c1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000180033675 206311205 /nfs/dbraw/zinc/31/12/05/206311205.db2.gz PPFMCNIPUWSJCH-FQEVSTJZSA-N 1 0 352.869 4.470 50 0 FIAARO c1cc(C[NH+]2CCCC2)sc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000216136460 206355635 /nfs/dbraw/zinc/35/56/35/206355635.db2.gz GXOGXSDBUVIETG-UHFFFAOYSA-N 1 0 351.519 4.384 50 0 FIAARO CC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000022620350 206387289 /nfs/dbraw/zinc/38/72/89/206387289.db2.gz WDMSZBJXFVEZBV-FGZHOGPDSA-N 1 0 366.505 4.142 50 0 FIAARO COc1cc2c(cc1CN(C)[C@H](C)c1nc(C)sc1C)OCCCO2 ZINC000216528969 206359126 /nfs/dbraw/zinc/35/91/26/206359126.db2.gz ZVXRGQXJFXPYKD-GFCCVEGCSA-N 1 0 362.495 4.123 50 0 FIAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000022783964 206392056 /nfs/dbraw/zinc/39/20/56/206392056.db2.gz XJCNDGXHTKEXLE-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO CC(C)Oc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023128047 206402591 /nfs/dbraw/zinc/40/25/91/206402591.db2.gz MOJCPZFQBOARJQ-UHFFFAOYSA-N 1 0 372.534 4.177 50 0 FIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000058423965 221119030 /nfs/dbraw/zinc/11/90/30/221119030.db2.gz SMIKOISPGCBGMT-ZDUSSCGKSA-N 1 0 365.930 4.248 50 0 FIAARO O=C(/C=C/c1ccccc1F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058424378 221119652 /nfs/dbraw/zinc/11/96/52/221119652.db2.gz YYAQMGJAGIEKPJ-MDZDMXLPSA-N 1 0 356.466 4.026 50 0 FIAARO O=C1CC2(CN1Cc1ccccc1)CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000077392028 132183263 /nfs/dbraw/zinc/18/32/63/132183263.db2.gz PZCZBEBMWKYSQT-UHFFFAOYSA-N 1 0 371.484 4.254 50 0 FIAARO c1cn(Cc2cccnc2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000092066354 132206157 /nfs/dbraw/zinc/20/61/57/132206157.db2.gz YZVBYMIENDWIRJ-IBGZPJMESA-N 1 0 369.472 4.259 50 0 FIAARO Cc1ccccc1-c1cccc(N2CCC([N@H+]3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000105987930 132239350 /nfs/dbraw/zinc/23/93/50/132239350.db2.gz ULULUYDYVLTJLR-FQEVSTJZSA-N 1 0 363.549 4.267 50 0 FIAARO Cc1cc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC000033128965 136117393 /nfs/dbraw/zinc/11/73/93/136117393.db2.gz LKNXRRHIKMYTDJ-UHFFFAOYSA-N 1 0 374.282 4.008 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH2+]Cc4ccccc4)CC3)c2)n1 ZINC000055252699 136126185 /nfs/dbraw/zinc/12/61/85/136126185.db2.gz FVBAHSLLZDVEIT-UHFFFAOYSA-N 1 0 358.489 4.211 50 0 FIAARO CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000033908408 263397378 /nfs/dbraw/zinc/39/73/78/263397378.db2.gz GMJKFGGJDVELDR-PTNGSMBKSA-N 1 0 352.887 4.456 50 0 FIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnc(C)cc1Cl ZINC000089968993 520700554 /nfs/dbraw/zinc/70/05/54/520700554.db2.gz SSGIPBMPJBSTNL-UHFFFAOYSA-N 1 0 361.873 4.016 50 0 FIAARO CC1CC[NH+](C[C@H](O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000000706984 521018889 /nfs/dbraw/zinc/01/88/89/521018889.db2.gz VDTHHHLGCXKCAO-KRWDZBQOSA-N 1 0 354.519 4.382 50 0 biogenic FIAARO COc1ccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1F ZINC000241515773 524011152 /nfs/dbraw/zinc/01/11/52/524011152.db2.gz OHWAOYMXKCYEJT-AEFFLSMTSA-N 1 0 370.251 4.231 50 0 FIAARO Cc1cccc(-c2ccc(N3CCC([NH2+]Cc4nccn4C)CC3)cc2)c1 ZINC000020117755 524107885 /nfs/dbraw/zinc/10/78/85/524107885.db2.gz BHISGWJMDBJKSW-UHFFFAOYSA-N 1 0 360.505 4.154 50 0 FIAARO CSc1ccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020600162 526007051 /nfs/dbraw/zinc/00/70/51/526007051.db2.gz UIHNSOVDKLVWKP-CQSZACIVSA-N 1 0 350.491 4.420 50 0 FIAARO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000019840952 526153949 /nfs/dbraw/zinc/15/39/49/526153949.db2.gz QVVNKSGITPAFJF-CQSZACIVSA-N 1 0 365.502 4.180 50 0 FIAARO c1cn(C[C@H]2CC[NH2+]C2)nc1-c1cccc(-c2cnc3ccccc3c2)c1 ZINC000020542721 526535107 /nfs/dbraw/zinc/53/51/07/526535107.db2.gz CHTWRROYCSLJFO-KRWDZBQOSA-N 1 0 354.457 4.375 50 0 FIAARO O=C(c1ccc(Oc2ccccc2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000084556933 526709296 /nfs/dbraw/zinc/70/92/96/526709296.db2.gz MZUFVHCEQRAVDC-UHFFFAOYSA-N 1 0 350.462 4.179 50 0 FIAARO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000240871477 526969895 /nfs/dbraw/zinc/96/98/95/526969895.db2.gz IKVXIZPWUWALQD-WWGRRREGSA-N 1 0 354.466 4.012 50 0 FIAARO CCCC[N@H+](C)CC1CCN(c2ncc(Br)cc2C)CC1 ZINC000075105850 535218140 /nfs/dbraw/zinc/21/81/40/535218140.db2.gz XCZBXYXBMYJIBJ-UHFFFAOYSA-N 1 0 354.336 4.101 50 0 FIAARO CC[NH+](CC)Cc1ccccc1NCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000059803377 535612473 /nfs/dbraw/zinc/61/24/73/535612473.db2.gz VXXPUEFIWRVCBE-SFHVURJKSA-N 1 0 365.521 4.308 50 0 FIAARO [NH3+]CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000015442641 560230254 /nfs/dbraw/zinc/23/02/54/560230254.db2.gz WZPAUNPMGPHBHT-UHFFFAOYSA-N 1 0 353.469 4.225 50 0 in-vitro FIAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(OC)cc1C)[NH2+]CC2 ZINC000000718296 568130368 /nfs/dbraw/zinc/13/03/68/568130368.db2.gz RLQWVVKVUMGCBB-JOCHJYFZSA-N 1 0 355.478 4.345 50 0 FIAARO Clc1ccc(-c2nnc(NCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000000754661 568181354 /nfs/dbraw/zinc/18/13/54/568181354.db2.gz CGRKUVBDRMBTHL-UHFFFAOYSA-N 1 0 352.869 4.458 50 0 FIAARO C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000025356286 568546221 /nfs/dbraw/zinc/54/62/21/568546221.db2.gz ZTKHMJOFQKNSIT-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([C@@H]2CCCO2)s1 ZINC000091914977 570442388 /nfs/dbraw/zinc/44/23/88/570442388.db2.gz KHCWHNRGFSGNOU-SFHVURJKSA-N 1 0 370.518 4.125 50 0 FIAARO CCn1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc21 ZINC000092028700 570445392 /nfs/dbraw/zinc/44/53/92/570445392.db2.gz IEWXDMNEXQSRBN-JTHBVZDNSA-N 1 0 374.532 4.153 50 0 FIAARO Ic1ccc2scc(CN3CCCCC3)c2c1 ZINC000000701953 570450822 /nfs/dbraw/zinc/45/08/22/570450822.db2.gz HOZHGQYXEPACQU-UHFFFAOYSA-N 1 0 357.260 4.492 50 0 FIAARO c1csc(N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095353520 570452199 /nfs/dbraw/zinc/45/21/99/570452199.db2.gz WYJWRTLOMFZJIK-SFHVURJKSA-N 1 0 353.535 4.382 50 0 FIAARO CCn1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)ccc21 ZINC000095362508 570454499 /nfs/dbraw/zinc/45/44/99/570454499.db2.gz CDHIDBBCADXADB-NZQKXSOJSA-N 1 0 374.532 4.153 50 0 FIAARO Fc1ccc([C@@H]2CN(c3ccc4ccccc4n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095379360 570458189 /nfs/dbraw/zinc/45/81/89/570458189.db2.gz DXHUFIKIRJEVLE-TUACAJSNSA-N 1 0 373.475 4.441 50 0 FIAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000095378822 570458389 /nfs/dbraw/zinc/45/83/89/570458389.db2.gz NWRYEBQUXKDSSE-NRFANRHFSA-N 1 0 371.912 4.063 50 0 FIAARO Cc1cc(C)c2c(ncnc2NCCC2CC[NH+](C3CCCC3)CC2)n1 ZINC000095385193 570460247 /nfs/dbraw/zinc/46/02/47/570460247.db2.gz HKQHAKFORFIFTF-UHFFFAOYSA-N 1 0 353.514 4.098 50 0 FIAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095390271 570460577 /nfs/dbraw/zinc/46/05/77/570460577.db2.gz OPCNWWPOIOYHSP-CRAIPNDOSA-N 1 0 366.427 4.042 50 0 FIAARO O=C(c1cccc2ccccc21)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000000860313 570461432 /nfs/dbraw/zinc/46/14/32/570461432.db2.gz QXICBBYAYIYWNH-UHFFFAOYSA-N 1 0 374.528 4.422 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCCCc2cccnc2)c1 ZINC000095498352 570462270 /nfs/dbraw/zinc/46/22/70/570462270.db2.gz SKCHBJFPBMNLQF-GOSISDBHSA-N 1 0 366.509 4.210 50 0 FIAARO CC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000096131062 570476155 /nfs/dbraw/zinc/47/61/55/570476155.db2.gz GALWPPPIARYADR-IBGZPJMESA-N 1 0 370.518 4.298 50 0 FIAARO CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000096141869 570477170 /nfs/dbraw/zinc/47/71/70/570477170.db2.gz KBLRNSASRVCYAM-AWEZNQCLSA-N 1 0 353.894 4.075 50 0 FIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096166463 570478699 /nfs/dbraw/zinc/47/86/99/570478699.db2.gz GFOBWLATCJZNQE-HXUWFJFHSA-N 1 0 353.441 4.195 50 0 FIAARO Cc1nc2cc(NC(=O)Nc3cccc(Br)c3)ccc2n1C ZINC000001143847 570484034 /nfs/dbraw/zinc/48/40/34/570484034.db2.gz UGYURFHQMHNAFW-UHFFFAOYSA-N 1 0 359.227 4.288 50 0 FIAARO c1cc(-c2ccccc2)sc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000097527969 570489769 /nfs/dbraw/zinc/48/97/69/570489769.db2.gz ZIJJKVXVWDZYKJ-LJQANCHMSA-N 1 0 356.535 4.102 50 0 FIAARO c1cc(-c2ccccc2)sc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000097527970 570489870 /nfs/dbraw/zinc/48/98/70/570489870.db2.gz ZIJJKVXVWDZYKJ-IBGZPJMESA-N 1 0 356.535 4.102 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N(Cc1ccncc1)C1CCCCC1 ZINC000097572134 570491303 /nfs/dbraw/zinc/49/13/03/570491303.db2.gz APHXSLQUGCYWMP-UHFFFAOYSA-N 1 0 367.493 4.246 50 0 FIAARO COCCOC1CC[NH+](C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000097729713 570493568 /nfs/dbraw/zinc/49/35/68/570493568.db2.gz QJMNEGWOLDJSFT-QFIPXVFZSA-N 1 0 365.517 4.120 50 0 FIAARO CC[NH+]1CCC(CC(=O)N(Cc2ccc(C)s2)Cc2ccncc2)CC1 ZINC000097785626 570495179 /nfs/dbraw/zinc/49/51/79/570495179.db2.gz AOTAURLTZOXLTQ-UHFFFAOYSA-N 1 0 371.550 4.102 50 0 FIAARO OC1(c2cccnc2)CC[NH+](Cc2ccc(-c3ccccc3F)cc2)CC1 ZINC000097785651 570495191 /nfs/dbraw/zinc/49/51/91/570495191.db2.gz UYMAVIGVWRKHAQ-UHFFFAOYSA-N 1 0 362.448 4.371 50 0 FIAARO O=C(c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000001233058 570495752 /nfs/dbraw/zinc/49/57/52/570495752.db2.gz OEKWFEXLVMTFGD-ILBGXUMGSA-N 1 0 371.480 4.279 50 0 FIAARO Cc1ccsc1CN(C(=O)N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000584903017 570509914 /nfs/dbraw/zinc/50/99/14/570509914.db2.gz LHBJCLHJGCBBTN-INIZCTEOSA-N 1 0 361.555 4.138 50 0 FIAARO C[NH+](C)CCCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000101357382 570511642 /nfs/dbraw/zinc/51/16/42/570511642.db2.gz MBIWTVJKSOCVJZ-YYTDSSBASA-N 1 0 355.522 4.442 50 0 FIAARO O=C(NC1CC1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669642 570527200 /nfs/dbraw/zinc/52/72/00/570527200.db2.gz BYGVPQASNMCXRJ-GHTZIAJQSA-N 1 0 352.453 4.058 50 0 FIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682800 570532154 /nfs/dbraw/zinc/53/21/54/570532154.db2.gz JSYQSGPWBQDQBC-UHFFFAOYSA-N 1 0 358.507 4.164 50 0 FIAARO Cn1ccnc1C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000072289893 570537695 /nfs/dbraw/zinc/53/76/95/570537695.db2.gz YJILGQRXPVYOAS-UHFFFAOYSA-N 1 0 362.315 4.218 50 0 FIAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000005151111 570591102 /nfs/dbraw/zinc/59/11/02/570591102.db2.gz LACRJXKDNNZHNF-UHFFFAOYSA-N 1 0 358.445 4.185 50 0 FIAARO CCc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703454 570601892 /nfs/dbraw/zinc/60/18/92/570601892.db2.gz KJWZTUHBTHRVPO-UHFFFAOYSA-N 1 0 363.549 4.036 50 0 FIAARO COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000426436542 570605873 /nfs/dbraw/zinc/60/58/73/570605873.db2.gz KQFFSGHZDLXRHQ-UHFFFAOYSA-N 1 0 372.896 4.182 50 0 FIAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(-c2ccccc2O)c1 ZINC000426538419 570614849 /nfs/dbraw/zinc/61/48/49/570614849.db2.gz RGHUXVQXYIFOAV-KRWDZBQOSA-N 1 0 364.489 4.054 50 0 FIAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005274982 570645806 /nfs/dbraw/zinc/64/58/06/570645806.db2.gz QIDGKKNCSDYWRY-LRDDRELGSA-N 1 0 367.396 4.427 50 0 FIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c(OC)c1C ZINC000584904409 570664180 /nfs/dbraw/zinc/66/41/80/570664180.db2.gz JQFCOOTXXMFMNX-IFMALSPDSA-N 1 0 372.553 4.241 50 0 FIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CCCC1 ZINC000011661457 570704039 /nfs/dbraw/zinc/70/40/39/570704039.db2.gz IQFUHDDEQWIAPL-IBGZPJMESA-N 1 0 360.517 4.119 50 0 FIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2)oc1C ZINC000011661841 570704081 /nfs/dbraw/zinc/70/40/81/570704081.db2.gz WDZDKHCFLCXBJW-QGZVFWFLSA-N 1 0 360.429 4.097 50 0 FIAARO Clc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)s1 ZINC000011818683 570708299 /nfs/dbraw/zinc/70/82/99/570708299.db2.gz JQOIBUNUWTUOFS-CYBMUJFWSA-N 1 0 350.871 4.207 50 0 FIAARO COc1ccccc1/C=C/C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000011873168 570710478 /nfs/dbraw/zinc/71/04/78/570710478.db2.gz RSJOHAKQJCTECE-YRNVUSSQSA-N 1 0 351.490 4.026 50 0 FIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4ccccn4)C3)ccc2c1 ZINC000011933202 570711732 /nfs/dbraw/zinc/71/17/32/570711732.db2.gz ABNMRAPJUZZUAX-FQEVSTJZSA-N 1 0 360.457 4.338 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011932948 570711880 /nfs/dbraw/zinc/71/18/80/570711880.db2.gz ZNHOFYCTVQSROP-QFIPXVFZSA-N 1 0 357.469 4.042 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c2ccccc12 ZINC000011934203 570712067 /nfs/dbraw/zinc/71/20/67/570712067.db2.gz KNLDELXOWKDQIE-QGZVFWFLSA-N 1 0 366.505 4.119 50 0 FIAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccccc1 ZINC000011957194 570713509 /nfs/dbraw/zinc/71/35/09/570713509.db2.gz MBROWSSPRFRUPA-LJQANCHMSA-N 1 0 370.924 4.367 50 0 FIAARO O=C(CC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)Nc1ccccc1F ZINC000012028427 570714527 /nfs/dbraw/zinc/71/45/27/570714527.db2.gz JBAUYVZWEDABGZ-KRWDZBQOSA-N 1 0 366.480 4.424 50 0 FIAARO CCOCc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1OC ZINC000012074657 570716398 /nfs/dbraw/zinc/71/63/98/570716398.db2.gz BNIQKBYZYMVULH-OAQYLSRUSA-N 1 0 372.484 4.447 50 0 FIAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000012210104 570728025 /nfs/dbraw/zinc/72/80/25/570728025.db2.gz NZUQGZIBDGTDHI-UHFFFAOYSA-N 1 0 359.897 4.166 50 0 FIAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000012298539 570733257 /nfs/dbraw/zinc/73/32/57/570733257.db2.gz MFPMJHDCMWBSNS-QHCPKHFHSA-N 1 0 366.505 4.168 50 0 FIAARO O=C(Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1)c1ccccc1 ZINC000012432500 570744725 /nfs/dbraw/zinc/74/47/25/570744725.db2.gz TVLVVECFXOZSMT-GOSISDBHSA-N 1 0 364.493 4.129 50 0 FIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000012435413 570745171 /nfs/dbraw/zinc/74/51/71/570745171.db2.gz HYBXMPXRZQQXEG-FQEVSTJZSA-N 1 0 373.541 4.307 50 0 FIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cc4ccccc4o3)C2)c1 ZINC000012457522 570747189 /nfs/dbraw/zinc/74/71/89/570747189.db2.gz QZVPUKSCAWXIMM-HSZRJFAPSA-N 1 0 365.473 4.259 50 0 FIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000012474157 570748472 /nfs/dbraw/zinc/74/84/72/570748472.db2.gz PDIXGTGFDXWHMR-MJBXVCDLSA-N 1 0 354.288 4.257 50 0 FIAARO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)o1 ZINC000012480946 570748539 /nfs/dbraw/zinc/74/85/39/570748539.db2.gz FTWTVHXTNSSLRC-LJQANCHMSA-N 1 0 372.484 4.062 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000012572624 570750912 /nfs/dbraw/zinc/75/09/12/570750912.db2.gz LJXZYKBKMLEYSV-OAQYLSRUSA-N 1 0 364.468 4.303 50 0 FIAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000012575223 570750934 /nfs/dbraw/zinc/75/09/34/570750934.db2.gz VRQKEIZHOLKDJP-HNNXBMFYSA-N 1 0 354.372 4.016 50 0 FIAARO C[N@H+](CCC12CC3CC(CC(C3)C1)C2)Cc1nc(-c2ccccn2)no1 ZINC000012580810 570751446 /nfs/dbraw/zinc/75/14/46/570751446.db2.gz WSHVVQCQRWPIMK-UHFFFAOYSA-N 1 0 352.482 4.170 50 0 FIAARO O=C(C1=CCCCC1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012595692 570752966 /nfs/dbraw/zinc/75/29/66/570752966.db2.gz CEBXPKBXROLXHK-HSZRJFAPSA-N 1 0 352.522 4.044 50 0 FIAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2scnc2c1 ZINC000012596886 570753022 /nfs/dbraw/zinc/75/30/22/570753022.db2.gz JUDQTUCTJJAANL-KRWDZBQOSA-N 1 0 357.523 4.071 50 0 FIAARO CSCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000012715171 570757863 /nfs/dbraw/zinc/75/78/63/570757863.db2.gz SPGWLDVWFSTDRC-KRWDZBQOSA-N 1 0 356.535 4.035 50 0 FIAARO Cc1ccc2c(CC(=O)NC[C@@H](c3cccs3)[NH+](C)C)coc2c1C ZINC000012986717 570770842 /nfs/dbraw/zinc/77/08/42/570770842.db2.gz LQGYNCJCLJMQSS-KRWDZBQOSA-N 1 0 356.491 4.073 50 0 FIAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(OCc4ccccc4)cc1)(C3)C2 ZINC000013728220 570788267 /nfs/dbraw/zinc/78/82/67/570788267.db2.gz WSIJRZGVTUDJEN-MNZGCLKASA-N 1 0 363.501 4.439 50 0 FIAARO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000032796012 570802732 /nfs/dbraw/zinc/80/27/32/570802732.db2.gz HQXTWRICJLNWGO-OAHLLOKOSA-N 1 0 358.869 4.342 50 0 FIAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(-c3ccccc3OC)c2)C1 ZINC000173147737 570805639 /nfs/dbraw/zinc/80/56/39/570805639.db2.gz QLQSTJHMDWKIQG-LJQANCHMSA-N 1 0 367.493 4.310 50 0 FIAARO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000014241372 570815199 /nfs/dbraw/zinc/81/51/99/570815199.db2.gz FCETVDKRAMIBII-LBPRGKRZSA-N 1 0 352.356 4.003 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000014955241 570826957 /nfs/dbraw/zinc/82/69/57/570826957.db2.gz OZNMDVGOINIDNU-HNNXBMFYSA-N 1 0 357.837 4.164 50 0 FIAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1F ZINC000014969591 570827296 /nfs/dbraw/zinc/82/72/96/570827296.db2.gz HAHCCNXSFJODLR-ZDUSSCGKSA-N 1 0 357.404 4.318 50 0 FIAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000014999456 570828403 /nfs/dbraw/zinc/82/84/03/570828403.db2.gz UTYZSUAFYIAPMH-HXUWFJFHSA-N 1 0 366.553 4.304 50 0 FIAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2cccs2)Cc2ccccc2O1 ZINC000014993210 570828478 /nfs/dbraw/zinc/82/84/78/570828478.db2.gz RGEKQOVCIAHKFK-SFHVURJKSA-N 1 0 372.534 4.208 50 0 FIAARO Cc1ccc([C@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000015018016 570830072 /nfs/dbraw/zinc/83/00/72/570830072.db2.gz BDUJJSNDCGLHIS-FYYLOGMGSA-N 1 0 362.473 4.247 50 0 FIAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)n1 ZINC000015062811 570830368 /nfs/dbraw/zinc/83/03/68/570830368.db2.gz TVRZZQXGHYMUBK-QFIPXVFZSA-N 1 0 371.475 4.156 50 0 FIAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879760 570834266 /nfs/dbraw/zinc/83/42/66/570834266.db2.gz QUAGLUCJKADMGV-KRWDZBQOSA-N 1 0 361.489 4.052 50 0 FIAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCc1ccncc1)CC2 ZINC000015447173 570839102 /nfs/dbraw/zinc/83/91/02/570839102.db2.gz MQGXWJNDVZGRDM-XMMPIXPASA-N 1 0 374.484 4.289 50 0 FIAARO CCCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831646 570844545 /nfs/dbraw/zinc/84/45/45/570844545.db2.gz RKOHJRLRTZBALE-FQEVSTJZSA-N 1 0 370.493 4.416 50 0 FIAARO C[N@H+](CC(=O)N1CCSc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000016342785 570854709 /nfs/dbraw/zinc/85/47/09/570854709.db2.gz PMYDCDRZRNAWBI-SFHVURJKSA-N 1 0 352.503 4.135 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000016603151 570858652 /nfs/dbraw/zinc/85/86/52/570858652.db2.gz ATXYFICPLIOXQC-UHFFFAOYSA-N 1 0 363.288 4.388 50 0 FIAARO c1sc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1-c1ccccc1 ZINC000032932664 570872372 /nfs/dbraw/zinc/87/23/72/570872372.db2.gz SBUYOVDDXFAHBK-IRXDYDNUSA-N 1 0 350.491 4.397 50 0 FIAARO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCc4ccccc43)CC2)c1 ZINC000032936026 570873227 /nfs/dbraw/zinc/87/32/27/570873227.db2.gz ITLPQNWPEUVVCT-HSZRJFAPSA-N 1 0 362.517 4.196 50 0 FIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019222686 570882307 /nfs/dbraw/zinc/88/23/07/570882307.db2.gz MKQONBCCQJGUGS-QGZVFWFLSA-N 1 0 372.534 4.209 50 0 FIAARO Cc1ccc(-c2n[nH]cc2CN2CCC[N@@H+](C3CCCC3)CC2)cc1C ZINC000019794367 570903358 /nfs/dbraw/zinc/90/33/58/570903358.db2.gz SKENMQWMPMOSLF-UHFFFAOYSA-N 1 0 352.526 4.144 50 0 FIAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccccc2Cl)c(OC)c1 ZINC000019841373 570904504 /nfs/dbraw/zinc/90/45/04/570904504.db2.gz UQRCJEUMFWDZQY-UHFFFAOYSA-N 1 0 371.868 4.080 50 0 FIAARO O=c1oc2ccccc2n1CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000071982585 570916581 /nfs/dbraw/zinc/91/65/81/570916581.db2.gz GCEQXJPXHWXRDD-NRFANRHFSA-N 1 0 362.404 4.113 50 0 FIAARO CN1CCc2c(sc3c2C[NH2+][C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000020865003 570926121 /nfs/dbraw/zinc/92/61/21/570926121.db2.gz UCCWAWCERYEXCM-LJQANCHMSA-N 1 0 369.921 4.373 50 0 FIAARO c1cncc([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000109570102 570926090 /nfs/dbraw/zinc/92/60/90/570926090.db2.gz RFQPRAKGHXRYIB-VQTJNVASSA-N 1 0 360.461 4.389 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1Cc2ccccc2S1 ZINC000021410814 570930445 /nfs/dbraw/zinc/93/04/45/570930445.db2.gz XMONQDLIUVBEND-NRFANRHFSA-N 1 0 366.530 4.006 50 0 FIAARO COc1ccc2cc([C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000010816742 570938265 /nfs/dbraw/zinc/93/82/65/570938265.db2.gz JBCRTGUZVWUNNV-HNNXBMFYSA-N 1 0 368.521 4.377 50 0 FIAARO Fc1ccc([C@H](c2ccc(C(F)(F)F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000022099289 570939885 /nfs/dbraw/zinc/93/98/85/570939885.db2.gz LNPSQSBSSAFBPW-SFHVURJKSA-N 1 0 352.375 4.229 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)C(F)(F)c1ccccc1)c1ccsc1 ZINC000048333363 570947068 /nfs/dbraw/zinc/94/70/68/570947068.db2.gz HDNYPTBPOICBCU-MRXNPFEDSA-N 1 0 352.450 4.039 50 0 FIAARO CCCn1cc(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)n1 ZINC000022925909 570953088 /nfs/dbraw/zinc/95/30/88/570953088.db2.gz VANKEYJNTIFONS-FQEVSTJZSA-N 1 0 360.933 4.009 50 0 FIAARO C[N@@H+](Cc1ccsc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024960639 570986881 /nfs/dbraw/zinc/98/68/81/570986881.db2.gz IKLAGYAPGIEXLK-KRWDZBQOSA-N 1 0 350.487 4.349 50 0 FIAARO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580682 571014122 /nfs/dbraw/zinc/01/41/22/571014122.db2.gz QGWSYRJDEPKJHE-QGZVFWFLSA-N 1 0 362.926 4.287 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2c1C ZINC000027603029 571016133 /nfs/dbraw/zinc/01/61/33/571016133.db2.gz OUYIDAOMLZUTGI-IBGZPJMESA-N 1 0 367.518 4.413 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662579 571017144 /nfs/dbraw/zinc/01/71/44/571017144.db2.gz YGOKMHARIDVZIJ-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662531 571017289 /nfs/dbraw/zinc/01/72/89/571017289.db2.gz WJRJPYDRCUSMLW-IBGZPJMESA-N 1 0 372.534 4.494 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027748021 571020034 /nfs/dbraw/zinc/02/00/34/571020034.db2.gz GYDYCOAHQNSLBM-FQEVSTJZSA-N 1 0 372.896 4.306 50 0 biogenic FIAARO Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000027793119 571021054 /nfs/dbraw/zinc/02/10/54/571021054.db2.gz IEECWSIWYGLTPR-GPUVRGFBSA-N 1 0 366.549 4.465 50 0 FIAARO c1cc2ncnc(N3CC[NH+](Cc4csc5ccccc45)CC3)c2s1 ZINC000028620202 571033180 /nfs/dbraw/zinc/03/31/80/571033180.db2.gz MHRGKRBBPZLVOY-UHFFFAOYSA-N 1 0 366.515 4.228 50 0 FIAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nc(C3CC3)cs2)C1 ZINC000072277768 571033775 /nfs/dbraw/zinc/03/37/75/571033775.db2.gz YQSIMYOFDMHYAC-CYBMUJFWSA-N 1 0 350.532 4.043 50 0 FIAARO Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)CC[NH+]2CCCCC2)c1 ZINC000225514675 571041973 /nfs/dbraw/zinc/04/19/73/571041973.db2.gz CMXHSCLKFOFRQB-FQEVSTJZSA-N 1 0 365.477 4.142 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000038583617 571046450 /nfs/dbraw/zinc/04/64/50/571046450.db2.gz VXNMZAOXKHAWMW-UHFFFAOYSA-N 1 0 357.885 4.374 50 0 FIAARO O=C(Nc1cccc(C[NH2+]Cc2csc(Br)c2)c1)C1CC1 ZINC000030629176 571048394 /nfs/dbraw/zinc/04/83/94/571048394.db2.gz QZXJAANZMBGMMI-UHFFFAOYSA-N 1 0 365.296 4.149 50 0 FIAARO CCn1c(CNc2ccc(C)cc2C)nnc1SCC[NH+]1CCCCC1 ZINC000004125071 571049244 /nfs/dbraw/zinc/04/92/44/571049244.db2.gz DTWFOBREESMDQJ-UHFFFAOYSA-N 1 0 373.570 4.105 50 0 FIAARO COc1ccc2oc(=O)cc(C[N@@H+](Cc3ccccc3)CC(C)C)c2c1 ZINC000033018695 571061047 /nfs/dbraw/zinc/06/10/47/571061047.db2.gz VCUBIMICEHWDBU-UHFFFAOYSA-N 1 0 351.446 4.460 50 0 FIAARO Cc1ccsc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000000795459 571068935 /nfs/dbraw/zinc/06/89/35/571068935.db2.gz KKRPIZNFZPVHOR-UHFFFAOYSA-N 1 0 366.324 4.303 50 0 FIAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc2c1OCO2 ZINC000020228415 571071120 /nfs/dbraw/zinc/07/11/20/571071120.db2.gz VMMKQSOEBXTOKI-UHFFFAOYSA-N 1 0 354.233 4.063 50 0 FIAARO O=C(C1CC[NH+]([C@H]2CCc3c2c(F)ccc3F)CC1)N1CCCCCC1 ZINC000084358664 571083135 /nfs/dbraw/zinc/08/31/35/571083135.db2.gz DLZMITJDEXLPDH-IBGZPJMESA-N 1 0 362.464 4.067 50 0 FIAARO Cc1cc(NC(=O)CC[N@H+](Cc2ccc(F)cc2)C2CCCCC2)no1 ZINC000012766702 571084972 /nfs/dbraw/zinc/08/49/72/571084972.db2.gz TWMRFRDGFNMBSF-UHFFFAOYSA-N 1 0 359.445 4.286 50 0 FIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cccc2)ccc1Cl ZINC000226848041 571085233 /nfs/dbraw/zinc/08/52/33/571085233.db2.gz WNKWXSRAMBWISV-JXFKEZNVSA-N 1 0 371.912 4.125 50 0 FIAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229576859 571094478 /nfs/dbraw/zinc/09/44/78/571094478.db2.gz NBJDJHUVNQKGSZ-INMHGKMJSA-N 1 0 357.498 4.222 50 0 FIAARO O=C(Cc1ccc(F)cc1Cl)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000243915019 571112592 /nfs/dbraw/zinc/11/25/92/571112592.db2.gz BLPMPDQUDFPBSY-QGZVFWFLSA-N 1 0 374.887 4.050 50 0 FIAARO Cc1cccnc1C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000244620017 571114000 /nfs/dbraw/zinc/11/40/00/571114000.db2.gz FKIXRXPYMMTBDV-AWEZNQCLSA-N 1 0 363.864 4.074 50 0 FIAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000244695638 571114385 /nfs/dbraw/zinc/11/43/85/571114385.db2.gz JPRZLMUYTOFZAQ-HNNXBMFYSA-N 1 0 355.511 4.295 50 0 FIAARO Cc1ccc(C)c(OCC[N@@H+](C)CCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000244724693 571115910 /nfs/dbraw/zinc/11/59/10/571115910.db2.gz MYWNTVZWYLAZAN-UHFFFAOYSA-N 1 0 354.494 4.260 50 0 FIAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(-c2cccs2)n[nH]1 ZINC000244828651 571117894 /nfs/dbraw/zinc/11/78/94/571117894.db2.gz UACPZYHZUSYMGF-UHFFFAOYSA-N 1 0 374.897 4.252 50 0 FIAARO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000010128606 571122763 /nfs/dbraw/zinc/12/27/63/571122763.db2.gz BJKBYGBSJPVYSK-INIZCTEOSA-N 1 0 350.437 4.116 50 0 FIAARO COc1ccc(-c2nc(CN(C)Cc3ccccc3)cs2)c(OC)c1 ZINC000012857670 571129278 /nfs/dbraw/zinc/12/92/78/571129278.db2.gz LEFCWJPASADNEP-UHFFFAOYSA-N 1 0 354.475 4.459 50 0 FIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000015831713 571130727 /nfs/dbraw/zinc/13/07/27/571130727.db2.gz VKAMYKWPBGQKKL-GOSISDBHSA-N 1 0 371.912 4.335 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1F)c1ccccc1 ZINC000016477559 571141981 /nfs/dbraw/zinc/14/19/81/571141981.db2.gz QHVHJIIMIVVFAX-NRFANRHFSA-N 1 0 351.421 4.228 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000012913134 571144459 /nfs/dbraw/zinc/14/44/59/571144459.db2.gz VUBJFOMPFVZZMW-OALUTQOASA-N 1 0 350.506 4.260 50 0 FIAARO C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000012928137 571146211 /nfs/dbraw/zinc/14/62/11/571146211.db2.gz JEORSIFIRWRAEO-SFHVURJKSA-N 1 0 351.494 4.233 50 0 FIAARO Cc1ccsc1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1cccc2ncccc21 ZINC000067883851 571151071 /nfs/dbraw/zinc/15/10/71/571151071.db2.gz QQBNVILNBKFVQX-OAQYLSRUSA-N 1 0 360.486 4.476 50 0 FIAARO O[C@H](C[NH2+]Cc1cc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000075093156 571154450 /nfs/dbraw/zinc/15/44/50/571154450.db2.gz NUGABTSPHKGTJO-QGZVFWFLSA-N 1 0 353.224 4.437 50 0 FIAARO COc1ccc(N2C3=CCCC[N@@H+]3[C@@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000075250300 571158323 /nfs/dbraw/zinc/15/83/23/571158323.db2.gz QNWWEDYZVJFMCR-YCRPNKLZSA-N 1 0 370.880 4.340 50 0 FIAARO CCOc1ccccc1-c1nccn1C1CC[NH+](Cc2ccccn2)CC1 ZINC000071681991 571163320 /nfs/dbraw/zinc/16/33/20/571163320.db2.gz MCKYBHPEICPCBZ-UHFFFAOYSA-N 1 0 362.477 4.181 50 0 FIAARO C[NH+]1CCN([C@@H]2Cc3cc(O)ccc3Sc3ccc(Cl)cc32)CC1 ZINC000000638689 571166122 /nfs/dbraw/zinc/16/61/22/571166122.db2.gz GIVDGUOYBSHWCY-QGZVFWFLSA-N 1 0 360.910 4.041 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071768096 571166290 /nfs/dbraw/zinc/16/62/90/571166290.db2.gz MTEIXBVYMCPPGF-SFHVURJKSA-N 1 0 356.489 4.281 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071774408 571166527 /nfs/dbraw/zinc/16/65/27/571166527.db2.gz PLXDONNNGXECHV-INIZCTEOSA-N 1 0 360.452 4.031 50 0 FIAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCSc2ccccc2)C1 ZINC000575615005 571168867 /nfs/dbraw/zinc/16/88/67/571168867.db2.gz ASDNVVXSROZNMW-QGZVFWFLSA-N 1 0 365.502 4.301 50 0 FIAARO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc(Cn2cccn2)c1 ZINC000072125587 571170405 /nfs/dbraw/zinc/17/04/05/571170405.db2.gz LYQTUOZEYAMNAH-UHFFFAOYSA-N 1 0 358.445 4.218 50 0 FIAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)OC1=O ZINC000072128144 571170679 /nfs/dbraw/zinc/17/06/79/571170679.db2.gz PPEGSESADBODMJ-FQEVSTJZSA-N 1 0 374.868 4.407 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)c1 ZINC000072140403 571172118 /nfs/dbraw/zinc/17/21/18/571172118.db2.gz ALYXPJHOIBSDGG-UHFFFAOYSA-N 1 0 357.501 4.375 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccs1)c1csc2ccccc21 ZINC000575621553 571172871 /nfs/dbraw/zinc/17/28/71/571172871.db2.gz POGUPFCIZBMNCZ-FVNWOWOISA-N 1 0 356.516 4.395 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000575622520 571173171 /nfs/dbraw/zinc/17/31/71/571173171.db2.gz ZKKWGAQMJUDNQM-KRWDZBQOSA-N 1 0 371.868 4.188 50 0 FIAARO c1coc(-c2ncc(C[N@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)cn2)c1 ZINC000072147879 571173804 /nfs/dbraw/zinc/17/38/04/571173804.db2.gz QMNARAQPJJIKIB-MRXNPFEDSA-N 1 0 373.460 4.068 50 0 FIAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)cc(=O)[nH]1 ZINC000072150949 571174281 /nfs/dbraw/zinc/17/42/81/571174281.db2.gz XFTPWBDUPNIKGC-KRWDZBQOSA-N 1 0 365.502 4.186 50 0 FIAARO COc1c(F)cc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1Cl ZINC000072152720 571174753 /nfs/dbraw/zinc/17/47/53/571174753.db2.gz ASKPGBFLQZFPBI-UHFFFAOYSA-N 1 0 362.876 4.114 50 0 FIAARO Cc1cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)ccc1O ZINC000072163002 571176185 /nfs/dbraw/zinc/17/61/85/571176185.db2.gz XDWOQQMUUCCFMD-UHFFFAOYSA-N 1 0 365.395 4.203 50 0 FIAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)o1 ZINC000072167061 571176760 /nfs/dbraw/zinc/17/67/60/571176760.db2.gz SWEYPQDNBOVJPL-SFHVURJKSA-N 1 0 363.461 4.026 50 0 FIAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404293 571177859 /nfs/dbraw/zinc/17/78/59/571177859.db2.gz JAEVPYZXJAIERU-NZQKXSOJSA-N 1 0 364.533 4.160 50 0 FIAARO Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c(C)c1 ZINC000013013605 571189417 /nfs/dbraw/zinc/18/94/17/571189417.db2.gz QGCGURLEMJFRNS-OAHLLOKOSA-N 1 0 353.491 4.372 50 0 FIAARO C[C@@H](C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1)[NH+]1CCCC1 ZINC000072423473 571193902 /nfs/dbraw/zinc/19/39/02/571193902.db2.gz WPDKVMWKWRJDQV-SFHVURJKSA-N 1 0 356.558 4.221 50 0 FIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CCc1ccc(Cl)cc1 ZINC000299766124 571194807 /nfs/dbraw/zinc/19/48/07/571194807.db2.gz ASTHPAXZUZNDAR-IBGZPJMESA-N 1 0 374.887 4.193 50 0 FIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc4[nH]ccc4c3)CC2)o1 ZINC000299766164 571194939 /nfs/dbraw/zinc/19/49/39/571194939.db2.gz BYAOXSHTNNGXSS-UHFFFAOYSA-N 1 0 366.465 4.103 50 0 FIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccc(Cl)cc1 ZINC000299768716 571195189 /nfs/dbraw/zinc/19/51/89/571195189.db2.gz PYZSCXLWBFVGAJ-GOSISDBHSA-N 1 0 360.860 4.150 50 0 FIAARO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428969 571195245 /nfs/dbraw/zinc/19/52/45/571195245.db2.gz BVDQINYHKLAEJD-OAQYLSRUSA-N 1 0 374.912 4.021 50 0 FIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431745 571195783 /nfs/dbraw/zinc/19/57/83/571195783.db2.gz GCCWZZJIWOJISG-JOCHJYFZSA-N 1 0 369.553 4.340 50 0 FIAARO C[NH+]1CCC(CNC(=O)Nc2cccc3cnccc32)(c2ccccc2)CC1 ZINC000299771568 571195959 /nfs/dbraw/zinc/19/59/59/571195959.db2.gz UEXJSQAHJXWPKH-UHFFFAOYSA-N 1 0 374.488 4.020 50 0 FIAARO C[C@H](CNC(=O)c1cccc(-c2ccc(C[NH+](C)C)cn2)c1)c1ccccc1 ZINC000299774599 571196687 /nfs/dbraw/zinc/19/66/87/571196687.db2.gz HMAJVVMEWSBYIO-GOSISDBHSA-N 1 0 373.500 4.344 50 0 FIAARO Cc1ccc(Cl)c(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000299790826 571200796 /nfs/dbraw/zinc/20/07/96/571200796.db2.gz CECKVXKOWVJSOG-SFHVURJKSA-N 1 0 356.897 4.290 50 0 FIAARO Cc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(O)c(Br)c1 ZINC000097032886 571202075 /nfs/dbraw/zinc/20/20/75/571202075.db2.gz VDUOZGHJLQVMEM-MRXNPFEDSA-N 1 0 362.267 4.467 50 0 FIAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000097105337 571204262 /nfs/dbraw/zinc/20/42/62/571204262.db2.gz WQHDLIQVBITBPF-SUNKGSAMSA-N 1 0 356.235 4.344 50 0 FIAARO CO[C@@H]1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000076500515 571204842 /nfs/dbraw/zinc/20/48/42/571204842.db2.gz QGFSSZSNLJHYRK-LJQANCHMSA-N 1 0 359.514 4.094 50 0 FIAARO CC[C@H](c1cccnc1)N(C)C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000534640765 571207268 /nfs/dbraw/zinc/20/72/68/571207268.db2.gz LMVVTIZBOHSODF-HXUWFJFHSA-N 1 0 372.557 4.363 50 0 FIAARO O=C(NCC1=CCCCC1)c1cccc(-c2ccc(Cn3ccnc3)cn2)c1 ZINC000534651640 571207540 /nfs/dbraw/zinc/20/75/40/571207540.db2.gz MMWJMHSRIBRRQC-UHFFFAOYSA-N 1 0 372.472 4.224 50 0 FIAARO Cc1[nH]nc(C2CC2)c1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077538105 571215104 /nfs/dbraw/zinc/21/51/04/571215104.db2.gz JYIIEGFPWYJKCU-IBGZPJMESA-N 1 0 366.509 4.025 50 0 FIAARO O[C@@H]1CC[N@@H+](C2CCN(c3cccc(-c4ccc(Cl)cc4)c3)CC2)C1 ZINC000023145566 571218701 /nfs/dbraw/zinc/21/87/01/571218701.db2.gz BUBCJUYKHCHVHQ-OAQYLSRUSA-N 1 0 356.897 4.042 50 0 FIAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1C(F)(F)F)CC2 ZINC000091288928 571238885 /nfs/dbraw/zinc/23/88/85/571238885.db2.gz AYQMIXWJDJABTQ-UHFFFAOYSA-N 1 0 372.406 4.069 50 0 FIAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1[nH]c3c(cccc3F)c1C)C2 ZINC000091452314 571239873 /nfs/dbraw/zinc/23/98/73/571239873.db2.gz RJAAIUQDTKWNSJ-IAGOWNOFSA-N 1 0 369.484 4.118 50 0 FIAARO CCc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cc1 ZINC000091625115 571241587 /nfs/dbraw/zinc/24/15/87/571241587.db2.gz RAAZLOVWOGWRRP-UHFFFAOYSA-N 1 0 354.538 4.396 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169677830 571246854 /nfs/dbraw/zinc/24/68/54/571246854.db2.gz ABFAEDCRHXYKED-AZUAARDMSA-N 1 0 357.494 4.044 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000036446976 571255074 /nfs/dbraw/zinc/25/50/74/571255074.db2.gz ZRQMLELWWLWDKN-VXKWHMMOSA-N 1 0 364.489 4.026 50 0 FIAARO COc1ccccc1[C@H]1CC[N@@H+]([C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000170602799 571267185 /nfs/dbraw/zinc/26/71/85/571267185.db2.gz SUDWFVNSRVJNFN-CVEARBPZSA-N 1 0 371.477 4.272 50 0 FIAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089775684 571272875 /nfs/dbraw/zinc/27/28/75/571272875.db2.gz CQUSTFONQRXFHY-FZKQIMNGSA-N 1 0 369.336 4.465 50 0 FIAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089927464 571274147 /nfs/dbraw/zinc/27/41/47/571274147.db2.gz YZTZSPKENDEKTI-CALCHBBNSA-N 1 0 351.494 4.047 50 0 FIAARO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc(Oc2ccccn2)cc1 ZINC000170678119 571285092 /nfs/dbraw/zinc/28/50/92/571285092.db2.gz ZIVVBPLFPYLKKW-HXUWFJFHSA-N 1 0 361.445 4.317 50 0 FIAARO CC[C@H](c1ccccc1OC)N(C)c1ncnc2c1cnn2C(C)(C)C ZINC000253427116 571313084 /nfs/dbraw/zinc/31/30/84/571313084.db2.gz GGCJFYHROHHJDS-MRXNPFEDSA-N 1 0 353.470 4.177 50 0 FIAARO CC(C)n1ccc2c1cccc2OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000252498740 571319710 /nfs/dbraw/zinc/31/97/10/571319710.db2.gz RKCUJPMPQOPFGU-UHFFFAOYSA-N 1 0 371.525 4.026 50 0 FIAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000095352956 571328948 /nfs/dbraw/zinc/32/89/48/571328948.db2.gz NSKIPSYYMKTCCX-IBGZPJMESA-N 1 0 367.443 4.414 50 0 FIAARO CC[N@H+](CCC1CCN(C(=O)c2ccc3ncccc3c2)CC1)CC1CC1 ZINC000095458122 571330135 /nfs/dbraw/zinc/33/01/35/571330135.db2.gz IJKSFVYYKQUHNW-UHFFFAOYSA-N 1 0 365.521 4.209 50 0 FIAARO C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466108 571330408 /nfs/dbraw/zinc/33/04/08/571330408.db2.gz JKSWQEKCGQVFMO-HOCLYGCPSA-N 1 0 360.860 4.120 50 0 FIAARO CCN(C(=O)Nc1ccc(C)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095942378 571332451 /nfs/dbraw/zinc/33/24/51/571332451.db2.gz AQDNJHMQLASVHY-GOSISDBHSA-N 1 0 355.457 4.262 50 0 FIAARO Cc1csc(C2([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CCCC2)n1 ZINC000095963810 571333092 /nfs/dbraw/zinc/33/30/92/571333092.db2.gz DZJVOIYVVHAGSH-UHFFFAOYSA-N 1 0 365.543 4.210 50 0 FIAARO CC[NH+](CC)CCN1C[C@@H](c2ccccc2)Sc2ccccc2C1=O ZINC000096027483 571334155 /nfs/dbraw/zinc/33/41/55/571334155.db2.gz KAQQOQDDLNJTQC-FQEVSTJZSA-N 1 0 354.519 4.318 50 0 FIAARO COc1ccc(-c2csc3ncnc(NCC[NH+]4CCCCC4)c23)cc1 ZINC000021643273 571335340 /nfs/dbraw/zinc/33/53/40/571335340.db2.gz KOOYKBLBOILTFR-UHFFFAOYSA-N 1 0 368.506 4.265 50 0 FIAARO CCc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000021718203 571335880 /nfs/dbraw/zinc/33/58/80/571335880.db2.gz BADZPANXWREVJT-ROUUACIJSA-N 1 0 357.542 4.471 50 0 FIAARO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000225687123 571337849 /nfs/dbraw/zinc/33/78/49/571337849.db2.gz RQIYVQGBXQZVGW-QFIPXVFZSA-N 1 0 362.517 4.257 50 0 FIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000029838626 571343412 /nfs/dbraw/zinc/34/34/12/571343412.db2.gz FWPFRHIUTVNRSM-UHFFFAOYSA-N 1 0 363.288 4.172 50 0 FIAARO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCc4c[nH]nc4C2)CCC3)cc1 ZINC000484516016 571351860 /nfs/dbraw/zinc/35/18/60/571351860.db2.gz YYNWACLCMZBIJC-SJORKVTESA-N 1 0 364.518 4.366 50 0 FIAARO Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1 ZINC000004193223 571356710 /nfs/dbraw/zinc/35/67/10/571356710.db2.gz DZPLRFMCIXWGEI-UHFFFAOYSA-N 1 0 373.456 4.172 50 0 FIAARO Cc1nc(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)cc(=O)[nH]1 ZINC000023338713 1084004480 /nfs/dbraw/zinc/00/44/80/1084004480.db2.gz IAPYIMPHQDRNGZ-UHFFFAOYSA-N 1 0 371.484 4.029 50 0 FIAARO O=c1cc(CC2CCCC2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000023380510 1084129337 /nfs/dbraw/zinc/12/93/37/1084129337.db2.gz KQXWRBMOOBSDTI-UHFFFAOYSA-N 1 0 351.494 4.156 50 0 FIAARO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)c2)n1 ZINC000178004029 1084565864 /nfs/dbraw/zinc/56/58/64/1084565864.db2.gz DBHAQHBSCWYXIX-SFHVURJKSA-N 1 0 368.481 4.051 50 0 FIAARO CCCOc1ccc([C@@H](C(=O)OCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000002814234 1084758110 /nfs/dbraw/zinc/75/81/10/1084758110.db2.gz DRGKNKDZSFIMOW-QFIPXVFZSA-N 1 0 369.505 4.492 50 0 FIAARO CN1CCCCCC[N@H+](Cc2ccc3[nH]ccc3c2)[C@H]2CCC[C@H]2C1=O ZINC000257175558 1090249253 /nfs/dbraw/zinc/24/92/53/1090249253.db2.gz BEGDOJNETVJBMI-CTNGQTDRSA-N 1 0 353.510 4.171 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257184814 1090296502 /nfs/dbraw/zinc/29/65/02/1090296502.db2.gz VIEYJLCYCIDJRA-NRFANRHFSA-N 1 0 366.505 4.319 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000257189087 1090315407 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Cc1ccc(CCC[NH+]2CCC3(CC[C@H](COc4ccncc4)O3)CC2)o1 ZINC000257191950 1121566586 /nfs/dbraw/zinc/56/65/86/1121566586.db2.gz RWTXWLUCZUMVRH-OAQYLSRUSA-N 1 0 370.493 4.008 50 0 FIAARO COc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000299755752 203751175 /nfs/dbraw/zinc/75/11/75/203751175.db2.gz DCLWXRSJHQZSQM-FQEVSTJZSA-N 1 0 368.477 4.251 50 0 FIAARO Cc1nc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000299761277 203756035 /nfs/dbraw/zinc/75/60/35/203756035.db2.gz IJFQIPXUZWVMAW-OAHLLOKOSA-N 1 0 357.523 4.319 50 0 FIAARO OCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000002178087 204028707 /nfs/dbraw/zinc/02/87/07/204028707.db2.gz QOOVZEKTHKXNJJ-UHFFFAOYSA-N 1 0 354.277 4.435 50 0 FIAARO Cc1cc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000002884369 204066582 /nfs/dbraw/zinc/06/65/82/204066582.db2.gz NEFSNSVSJFFNDL-UHFFFAOYSA-N 1 0 357.885 4.218 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c1 ZINC000002934107 204068483 /nfs/dbraw/zinc/06/84/83/204068483.db2.gz QLARUGUATQYPPJ-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000002934061 204068960 /nfs/dbraw/zinc/06/89/60/204068960.db2.gz DHVYVXGBPUNUCD-QGZVFWFLSA-N 1 0 370.566 4.274 50 0 FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000002934077 204069057 /nfs/dbraw/zinc/06/90/57/204069057.db2.gz YIBRVKWZQHETQT-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)ncn2C1CCCCC1 ZINC000002941153 204069438 /nfs/dbraw/zinc/06/94/38/204069438.db2.gz YTOXTDZSSVHSLE-UHFFFAOYSA-N 1 0 368.525 4.147 50 0 FIAARO CC1CC[NH+](CCCCOc2ccccc2I)CC1 ZINC000002953002 204069883 /nfs/dbraw/zinc/06/98/83/204069883.db2.gz WAUJWYIQAULUKE-UHFFFAOYSA-N 1 0 373.278 4.182 50 0 FIAARO Cc1ccccc1NC(=S)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000003061689 204076433 /nfs/dbraw/zinc/07/64/33/204076433.db2.gz UJFOSNOWWDWPIN-ROUUACIJSA-N 1 0 353.535 4.365 50 0 FIAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000003205146 204082653 /nfs/dbraw/zinc/08/26/53/204082653.db2.gz GUNQOZRFBCLYMX-XMMPIXPASA-N 1 0 373.496 4.212 50 0 FIAARO CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCC[NH+](C)C)c(C(C)C)c1 ZINC000002757273 204053973 /nfs/dbraw/zinc/05/39/73/204053973.db2.gz ZHVCNTLWBLKFPV-UHFFFAOYSA-N 1 0 368.587 4.287 50 0 FIAARO CCCCOC(C(=O)O[C@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000003683407 204110586 /nfs/dbraw/zinc/11/05/86/204110586.db2.gz CSHBTSAPSFHEQN-LJQANCHMSA-N 1 0 369.505 4.240 50 0 FIAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccc(C(F)(F)F)cc2)N1O ZINC000004189844 204127375 /nfs/dbraw/zinc/12/73/75/204127375.db2.gz ZUWRNGGZYQADFK-MRXNPFEDSA-N 1 0 350.340 4.187 50 0 FIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000003588723 204106700 /nfs/dbraw/zinc/10/67/00/204106700.db2.gz BAHRELDPWISYBX-UHFFFAOYSA-N 1 0 369.962 4.242 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(Cl)cc1 ZINC000004646324 204151293 /nfs/dbraw/zinc/15/12/93/204151293.db2.gz WBQWVPDUTMEBJJ-QUCCMNQESA-N 1 0 354.881 4.025 50 0 FIAARO CCc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000004679622 204154112 /nfs/dbraw/zinc/15/41/12/204154112.db2.gz KRWJBRROCMRXOU-UHFFFAOYSA-N 1 0 350.506 4.120 50 0 FIAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 ZINC000004744929 204160645 /nfs/dbraw/zinc/16/06/45/204160645.db2.gz AIDVFHXNZPTHIL-HXUWFJFHSA-N 1 0 368.908 4.137 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]3(C)CCc1ccc(Cl)nc1 ZINC000004489457 204140713 /nfs/dbraw/zinc/14/07/13/204140713.db2.gz VZBOJJWNLWHOCP-HXUWFJFHSA-N 1 0 355.869 4.219 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)o3)=NN12 ZINC000004899339 204173508 /nfs/dbraw/zinc/17/35/08/204173508.db2.gz CTNHNBRKPPUWNI-LJQANCHMSA-N 1 0 365.477 4.334 50 0 FIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C(C)(C)C ZINC000004992307 204183013 /nfs/dbraw/zinc/18/30/13/204183013.db2.gz RJMBNFLEYUTTOZ-RBUKOAKNSA-N 1 0 372.896 4.199 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]3(C)CCc1ccc(Cl)nc1 ZINC000005720903 204222077 /nfs/dbraw/zinc/22/20/77/204222077.db2.gz VZBOJJWNLWHOCP-FQEVSTJZSA-N 1 0 355.869 4.219 50 0 FIAARO CCNC(=S)C(C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1 ZINC000005926364 204231112 /nfs/dbraw/zinc/23/11/12/204231112.db2.gz HGPSJILKDVMTQL-UHFFFAOYSA-O 1 0 361.490 4.462 50 0 FIAARO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006586218 204254233 /nfs/dbraw/zinc/25/42/33/204254233.db2.gz YDNOWTUPSNIEFG-APWZRJJASA-N 1 0 365.477 4.046 50 0 FIAARO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006586288 204254244 /nfs/dbraw/zinc/25/42/44/204254244.db2.gz YDNOWTUPSNIEFG-VQIMIIECSA-N 1 0 365.477 4.046 50 0 FIAARO Cc1ccccc1NC(=O)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000006877313 204278200 /nfs/dbraw/zinc/27/82/00/204278200.db2.gz NEESMEAQFYOJFE-UHFFFAOYSA-N 1 0 363.505 4.297 50 0 FIAARO COc1ccc(Cl)cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850427 204309189 /nfs/dbraw/zinc/30/91/89/204309189.db2.gz QHWVCLODEJBPTO-UHFFFAOYSA-N 1 0 372.896 4.265 50 0 FIAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2OC)C(C)C)cc1 ZINC000007872597 204310761 /nfs/dbraw/zinc/31/07/61/204310761.db2.gz AZPFWKVLIDVVAB-JOCHJYFZSA-N 1 0 370.493 4.192 50 0 FIAARO COc1ccc([C@@H](CNC(=O)CCc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000008428377 204331106 /nfs/dbraw/zinc/33/11/06/204331106.db2.gz YOSWODSXQFMVPB-HXUWFJFHSA-N 1 0 372.534 4.033 50 0 FIAARO CC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000008428736 204331584 /nfs/dbraw/zinc/33/15/84/204331584.db2.gz AICVPLFFMRZOSX-MRXNPFEDSA-N 1 0 363.461 4.199 50 0 FIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1cccs1 ZINC000008470605 204331878 /nfs/dbraw/zinc/33/18/78/204331878.db2.gz OPKCURUFXHLWPB-CQSZACIVSA-N 1 0 367.898 4.258 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccs1 ZINC000009471071 204369273 /nfs/dbraw/zinc/36/92/73/204369273.db2.gz LODLPABVAUAFDC-INIZCTEOSA-N 1 0 357.523 4.418 50 0 FIAARO CC(C)[NH+](CCNC(=O)c1ccc(C2SCCS2)cc1)C(C)C ZINC000010214737 204391658 /nfs/dbraw/zinc/39/16/58/204391658.db2.gz ZPEMCGYYNBQRMD-UHFFFAOYSA-N 1 0 352.569 4.014 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc2cccnc21 ZINC000010282025 204392825 /nfs/dbraw/zinc/39/28/25/204392825.db2.gz NROSWOQOHDOWSX-UHFFFAOYSA-N 1 0 359.473 4.151 50 0 FIAARO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332331 204394399 /nfs/dbraw/zinc/39/43/99/204394399.db2.gz IDWQADJAXNRVBB-UHFFFAOYSA-N 1 0 354.519 4.195 50 0 FIAARO Cc1ccccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000014975790 204594430 /nfs/dbraw/zinc/59/44/30/204594430.db2.gz BHNGNVIUUIRQLX-UHFFFAOYSA-N 1 0 368.496 4.161 50 0 FIAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014995682 204596246 /nfs/dbraw/zinc/59/62/46/204596246.db2.gz ZSEZVSLQLGSHKS-FCHUYYIVSA-N 1 0 366.549 4.194 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2c(s1)CCCC2 ZINC000015906437 204627546 /nfs/dbraw/zinc/62/75/46/204627546.db2.gz BHGQQHLLQVUZDL-PKOBYXMFSA-N 1 0 366.530 4.383 50 0 FIAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1F ZINC000021148895 204747041 /nfs/dbraw/zinc/74/70/41/204747041.db2.gz AHDAEBOZCAJGLT-UHFFFAOYSA-N 1 0 369.484 4.292 50 0 FIAARO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c1=O ZINC000024022854 204812777 /nfs/dbraw/zinc/81/27/77/204812777.db2.gz BYKGBJCVAQJCRZ-LJQANCHMSA-N 1 0 360.885 4.111 50 0 FIAARO Cc1cccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1 ZINC000031773490 204920253 /nfs/dbraw/zinc/92/02/53/204920253.db2.gz ZGLXAAKJGGGPSI-HXUWFJFHSA-N 1 0 358.526 4.021 50 0 FIAARO O[C@H](COCc1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096825 205002694 /nfs/dbraw/zinc/00/26/94/205002694.db2.gz PWFRWKZEUGDSAU-DEOSSOPVSA-N 1 0 361.485 4.267 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036095293 205003000 /nfs/dbraw/zinc/00/30/00/205003000.db2.gz HBRZBHOIAPXPHX-JOCHJYFZSA-N 1 0 371.521 4.121 50 0 FIAARO COc1ccc(C[N@@H+](Cc2cccc(C)c2)C[C@H](O)COCC(C)C)cc1 ZINC000036095324 205003659 /nfs/dbraw/zinc/00/36/59/205003659.db2.gz QXUPDCCRHSWEHL-QFIPXVFZSA-N 1 0 371.521 4.039 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036104681 205005450 /nfs/dbraw/zinc/00/54/50/205005450.db2.gz MPIULADRAMKCAJ-JOCHJYFZSA-N 1 0 359.485 4.170 50 0 FIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)c1 ZINC000036100353 205005503 /nfs/dbraw/zinc/00/55/03/205005503.db2.gz PXIAMNJAXRFWMU-NRFANRHFSA-N 1 0 371.521 4.292 50 0 FIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2ccccc2C)cc1 ZINC000036100056 205005583 /nfs/dbraw/zinc/00/55/83/205005583.db2.gz KHGLDQSGMNHWSV-OAQYLSRUSA-N 1 0 371.521 4.292 50 0 FIAARO Cc1ccccc1[C@@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@@H+](C)C(C)C ZINC000036345723 205010379 /nfs/dbraw/zinc/01/03/79/205010379.db2.gz PDEUXNTWGDBOHC-NRFANRHFSA-N 1 0 367.468 4.152 50 0 FIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000075170379 205035969 /nfs/dbraw/zinc/03/59/69/205035969.db2.gz VFNINAGSDTZSKM-SFHVURJKSA-N 1 0 358.551 4.093 50 0 FIAARO Cc1ccc(CN2CC[C@H]([N@@H+](C)[C@@H](C)c3nccs3)CCC2=O)cc1 ZINC000039437443 205046090 /nfs/dbraw/zinc/04/60/90/205046090.db2.gz MFISSJLLMSGSHD-FUHWJXTLSA-N 1 0 357.523 4.026 50 0 FIAARO COc1ccc(OC)c(C[N@H+](C[C@H](O)c2ccccc2Cl)C2CC2)c1 ZINC000040105740 205055124 /nfs/dbraw/zinc/05/51/24/205055124.db2.gz WUQASJNMDLHWEI-IBGZPJMESA-N 1 0 361.869 4.055 50 0 FIAARO c1csc(C[N@H+]2CCCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000042146482 205094420 /nfs/dbraw/zinc/09/44/20/205094420.db2.gz AFCVQBIXBVPDFH-UHFFFAOYSA-N 1 0 353.491 4.111 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000044934129 205115634 /nfs/dbraw/zinc/11/56/34/205115634.db2.gz ZLBTVSOQRWEGLL-KRWDZBQOSA-N 1 0 354.469 4.224 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 ZINC000045463734 205122563 /nfs/dbraw/zinc/12/25/63/205122563.db2.gz QKEVXOUEFYIJTM-UHFFFAOYSA-N 1 0 372.340 4.255 50 0 FIAARO Oc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043083317 205100650 /nfs/dbraw/zinc/10/06/50/205100650.db2.gz POGCYYHHZJWZFG-HNNXBMFYSA-N 1 0 369.415 4.440 50 0 FIAARO O=C(Nc1cccc2cccnc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043529690 205104267 /nfs/dbraw/zinc/10/42/67/205104267.db2.gz IZSPZHIIWICXTK-UHFFFAOYSA-N 1 0 360.461 4.021 50 0 FIAARO CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 ZINC000047304157 205144934 /nfs/dbraw/zinc/14/49/34/205144934.db2.gz DAHBFGFKXVTHBC-UHFFFAOYSA-N 1 0 367.449 4.109 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 ZINC000048299809 205157277 /nfs/dbraw/zinc/15/72/77/205157277.db2.gz RRSSGAGWCSJGBG-IBGZPJMESA-N 1 0 355.507 4.053 50 0 FIAARO C[NH+](C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1 ZINC000052674848 205187601 /nfs/dbraw/zinc/18/76/01/205187601.db2.gz AIESOYGDQKVUAO-UHFFFAOYSA-N 1 0 364.424 4.278 50 0 FIAARO Fc1ccccc1CN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC000055090997 205206366 /nfs/dbraw/zinc/20/63/66/205206366.db2.gz YKHDXPZUHKWDLF-GOSISDBHSA-N 1 0 358.423 4.456 50 0 FIAARO CC(C)c1nc(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)cs1 ZINC000055225831 205211722 /nfs/dbraw/zinc/21/17/22/205211722.db2.gz PCECBNBPUACOBI-AWEZNQCLSA-N 1 0 361.511 4.336 50 0 FIAARO CCc1oc(C(=O)N(C)Cc2nc3ccccc3o2)cc1C[NH+](CC)CC ZINC000055371566 205216141 /nfs/dbraw/zinc/21/61/41/205216141.db2.gz VAADCNLSLPJZMJ-UHFFFAOYSA-N 1 0 369.465 4.097 50 0 FIAARO CCc1oc(C(=O)N(Cc2ncccc2C)C(C)C)cc1C[NH+]1CCCC1 ZINC000055384382 205216762 /nfs/dbraw/zinc/21/67/62/205216762.db2.gz RXQWPCYCZVPPJV-UHFFFAOYSA-N 1 0 369.509 4.192 50 0 FIAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000056851813 205232940 /nfs/dbraw/zinc/23/29/40/205232940.db2.gz FUJRHYVIMWWOQB-QWHCGFSZSA-N 1 0 366.383 4.392 50 0 FIAARO COc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1Cl ZINC000057354918 205237142 /nfs/dbraw/zinc/23/71/42/205237142.db2.gz JGJOVLVBTHRPIK-UHFFFAOYSA-N 1 0 358.825 4.172 50 0 FIAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000057369662 205238060 /nfs/dbraw/zinc/23/80/60/205238060.db2.gz WHDLDMFWGDOQPP-HNNXBMFYSA-N 1 0 364.445 4.146 50 0 FIAARO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000057530783 205243278 /nfs/dbraw/zinc/24/32/78/205243278.db2.gz ICZVXKNZSYZYOV-UHFFFAOYSA-N 1 0 374.337 4.039 50 0 FIAARO Cc1cccc(-c2ncc(CNC3CC[NH+](Cc4ccccc4)CC3)cn2)c1 ZINC000055401832 205218245 /nfs/dbraw/zinc/21/82/45/205218245.db2.gz KXTGCNDNNJWBSV-UHFFFAOYSA-N 1 0 372.516 4.206 50 0 FIAARO C[C@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000058227203 205265209 /nfs/dbraw/zinc/26/52/09/205265209.db2.gz CSTZEVYKYOUBIF-CQSZACIVSA-N 1 0 373.324 4.001 50 0 FIAARO Cc1ccc(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000057996091 205247776 /nfs/dbraw/zinc/24/77/76/205247776.db2.gz VZRKBGKGFHOBOC-UHFFFAOYSA-N 1 0 350.506 4.230 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@@H](C)CC(C)C)CC3)c2)n1 ZINC000063884489 205296410 /nfs/dbraw/zinc/29/64/10/205296410.db2.gz CGQXETPMCRXYPZ-KRWDZBQOSA-N 1 0 352.526 4.445 50 0 FIAARO Cc1[nH]c2ccccc2c1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058553576 205276833 /nfs/dbraw/zinc/27/68/33/205276833.db2.gz ZXPORGOMDBKBAL-UHFFFAOYSA-N 1 0 365.452 4.010 50 0 FIAARO CSc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)cc1 ZINC000065147806 205319792 /nfs/dbraw/zinc/31/97/92/205319792.db2.gz LZFYYIILRCZUKM-UHFFFAOYSA-N 1 0 373.547 4.251 50 0 FIAARO c1c2ccccc2oc1-c1cc([C@H]2CC[N@@H+](Cc3cncnc3)C2)ccn1 ZINC000065460831 205352327 /nfs/dbraw/zinc/35/23/27/205352327.db2.gz RIGSLSCANOOLSG-IBGZPJMESA-N 1 0 356.429 4.274 50 0 FIAARO Cc1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)ccc1O ZINC000065499153 205355125 /nfs/dbraw/zinc/35/51/25/205355125.db2.gz CDQKJSUMKFUJMF-QFIPXVFZSA-N 1 0 374.484 4.244 50 0 FIAARO c1ccc2ncc(-c3cc([C@H]4CC[N@@H+](Cc5cncnc5)C4)ccn3)cc2c1 ZINC000065366175 205339018 /nfs/dbraw/zinc/33/90/18/205339018.db2.gz NDQQDINFKAUXKY-FQEVSTJZSA-N 1 0 367.456 4.076 50 0 FIAARO CCc1ncc(-c2c(-c3ccccc3)ncn2CC[NH+]2CCCCC2)cn1 ZINC000065398430 205346626 /nfs/dbraw/zinc/34/66/26/205346626.db2.gz DCYHDEDQFXMVQM-UHFFFAOYSA-N 1 0 361.493 4.055 50 0 FIAARO C(=C/c1ccco1)\CN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000067588697 205376213 /nfs/dbraw/zinc/37/62/13/205376213.db2.gz XNQWMFCESZJKLD-YNYHDPJCSA-N 1 0 350.506 4.323 50 0 FIAARO c1ccc(C(c2n[nH]c3c2C[N@H+](C[C@@H]2CCCO2)CC3)c2ccccc2)cc1 ZINC000067649062 205378285 /nfs/dbraw/zinc/37/82/85/205378285.db2.gz NHOLWZVCNVOTIM-FQEVSTJZSA-N 1 0 373.500 4.127 50 0 FIAARO C[C@H](CO)C[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067694873 205384033 /nfs/dbraw/zinc/38/40/33/205384033.db2.gz MXLXBFHEWHZCOI-AWEZNQCLSA-N 1 0 369.486 4.097 50 0 FIAARO COc1cccc(-c2noc3c2C[N@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000067755602 205388470 /nfs/dbraw/zinc/38/84/70/205388470.db2.gz ZDDIBTPOKFFBKP-UHFFFAOYSA-N 1 0 373.456 4.432 50 0 FIAARO Clc1ccc(-c2noc3c2C[N@H+](CCCc2cccnc2)CC3)cc1 ZINC000067788138 205392018 /nfs/dbraw/zinc/39/20/18/205392018.db2.gz MLQASUTZYCPUJV-UHFFFAOYSA-N 1 0 353.853 4.381 50 0 FIAARO Cc1ccc(F)c(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCC2)c1Cl ZINC000072153971 205488389 /nfs/dbraw/zinc/48/83/89/205488389.db2.gz WOACBCBAGUNDQQ-CVEARBPZSA-N 1 0 352.881 4.361 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1Cl ZINC000043972195 206062066 /nfs/dbraw/zinc/06/20/66/206062066.db2.gz FRETWLPHNISOOG-UHFFFAOYSA-N 1 0 363.914 4.435 50 0 FIAARO COC(=O)CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)CC(C)C ZINC000048369004 206083513 /nfs/dbraw/zinc/08/35/13/206083513.db2.gz FZKCYYXZEVBRFW-UHFFFAOYSA-N 1 0 373.493 4.246 50 0 FIAARO Cc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000003330322 206160360 /nfs/dbraw/zinc/16/03/60/206160360.db2.gz WYHZMMHAMOJLBF-SFHVURJKSA-N 1 0 357.523 4.410 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC(C)C)c(OC)c1 ZINC000001322538 206147324 /nfs/dbraw/zinc/14/73/24/206147324.db2.gz VERCWWZLHSTYDY-NRFANRHFSA-N 1 0 366.461 4.207 50 0 biogenic FIAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1C[NH+]1CCCC1 ZINC000004455946 206177614 /nfs/dbraw/zinc/17/76/14/206177614.db2.gz HTTCMISRGCHPNL-UHFFFAOYSA-N 1 0 364.445 4.109 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717199 206217235 /nfs/dbraw/zinc/21/72/35/206217235.db2.gz DZBHJUWBGIUSAJ-UHFFFAOYSA-N 1 0 356.466 4.192 50 0 FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000008863150 206219401 /nfs/dbraw/zinc/21/94/01/206219401.db2.gz HETOAMDALXHPFY-GOSISDBHSA-N 1 0 364.461 4.373 50 0 FIAARO CC(C)Sc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000170604611 206272883 /nfs/dbraw/zinc/27/28/83/206272883.db2.gz PJIRHQQXWAPWMB-UHFFFAOYSA-N 1 0 356.535 4.221 50 0 FIAARO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2SC(C)C)C1 ZINC000170607008 206273227 /nfs/dbraw/zinc/27/32/27/206273227.db2.gz IQZSDFNTBKWZDA-OAHLLOKOSA-N 1 0 354.947 4.189 50 0 FIAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH+](CC)CC ZINC000012690479 206295669 /nfs/dbraw/zinc/29/56/69/206295669.db2.gz PJZDXUVBIDWVTP-CQSZACIVSA-N 1 0 374.506 4.261 50 0 FIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)Cc4ccccc4)[C@H]3C=C12 ZINC000012881239 206296672 /nfs/dbraw/zinc/29/66/72/206296672.db2.gz XXGSVFUSBZGYSU-MHXAIHSWSA-N 1 0 351.490 4.353 50 0 biogenic FIAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000012799780 206296785 /nfs/dbraw/zinc/29/67/85/206296785.db2.gz FYYZHPSQKHGWRQ-HNNXBMFYSA-N 1 0 368.868 4.123 50 0 FIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)Cc4ccccc4)[C@H]3C=C12 ZINC000012866862 206297549 /nfs/dbraw/zinc/29/75/49/206297549.db2.gz OFXZQIJQJISEJF-FEJROSIGSA-N 1 0 353.506 4.433 50 0 biogenic FIAARO Cc1ccc(NC(=S)NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000013524049 206302626 /nfs/dbraw/zinc/30/26/26/206302626.db2.gz LLJBGGAIUMJLND-MSOLQXFVSA-N 1 0 353.535 4.365 50 0 FIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(Br)cs2)c1 ZINC000020369961 206330253 /nfs/dbraw/zinc/33/02/53/206330253.db2.gz YZFPTSLAHNSGTF-JTQLQIEISA-N 1 0 353.285 4.320 50 0 FIAARO Cc1cc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)c(-c2ccccc2)o1 ZINC000019953233 206333112 /nfs/dbraw/zinc/33/31/12/206333112.db2.gz MGLXXHCGSRSLPV-UHFFFAOYSA-N 1 0 372.428 4.321 50 0 FIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4noc(C)n4)C3)o2)cc1 ZINC000215340127 206345583 /nfs/dbraw/zinc/34/55/83/206345583.db2.gz WCCYHVLHZONAOM-MRXNPFEDSA-N 1 0 353.422 4.026 50 0 FIAARO CN(Cc1cc(-c2ccncc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215709370 206349787 /nfs/dbraw/zinc/34/97/87/206349787.db2.gz FINVAGMFBHEANS-UHFFFAOYSA-N 1 0 368.506 4.026 50 0 FIAARO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 ZINC000022474539 206377460 /nfs/dbraw/zinc/37/74/60/206377460.db2.gz NFESBHPUDKZABY-NRFANRHFSA-N 1 0 362.473 4.072 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1cccc(F)c1 ZINC000311965032 206367242 /nfs/dbraw/zinc/36/72/42/206367242.db2.gz KCOBKLHBMOEZOU-NRFANRHFSA-N 1 0 351.421 4.228 50 0 FIAARO FC(F)(F)c1nc2ccccc2c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000022800505 206392504 /nfs/dbraw/zinc/39/25/04/206392504.db2.gz PELMAAKWDIJXSS-HNNXBMFYSA-N 1 0 372.394 4.335 50 0 FIAARO CCCCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766921 206394147 /nfs/dbraw/zinc/39/41/47/206394147.db2.gz QHNLALSXOGEXSG-SFHVURJKSA-N 1 0 361.511 4.351 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000048235957 221002326 /nfs/dbraw/zinc/00/23/26/221002326.db2.gz XOKUFQXZCXXERQ-KRWDZBQOSA-N 1 0 358.511 4.225 50 0 FIAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058421722 221118198 /nfs/dbraw/zinc/11/81/98/221118198.db2.gz QQIGCFKCICBOHW-UHFFFAOYSA-N 1 0 354.947 4.105 50 0 FIAARO Cc1cc(C[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)nc(N2CCCCC2)n1 ZINC000095450166 132210934 /nfs/dbraw/zinc/21/09/34/132210934.db2.gz MOBGAMXCEBYJTA-BTYIYWSLSA-N 1 0 368.500 4.328 50 0 FIAARO Cc1cc(C[NH2+][C@H]2c3cccc(F)c3CC[C@@H]2C)nc(N2CCCCC2)n1 ZINC000095450167 132211068 /nfs/dbraw/zinc/21/10/68/132211068.db2.gz MOBGAMXCEBYJTA-YCRPNKLZSA-N 1 0 368.500 4.328 50 0 FIAARO C[N@@H+]1CCCC12CCN(c1nc(-c3cccs3)nc3ccccc31)CC2 ZINC000095460530 132211219 /nfs/dbraw/zinc/21/12/19/132211219.db2.gz IJTPUTZTDMELMT-UHFFFAOYSA-N 1 0 364.518 4.423 50 0 FIAARO Fc1cccc(-c2cccc(N3CCC([NH2+][C@@H]4CCCOC4)CC3)c2)c1 ZINC000019812406 132267405 /nfs/dbraw/zinc/26/74/05/132267405.db2.gz BWOZKXYOBKZRMY-OAQYLSRUSA-N 1 0 354.469 4.230 50 0 FIAARO COc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000055543750 136126998 /nfs/dbraw/zinc/12/69/98/136126998.db2.gz SNWQROJALJMJNG-UHFFFAOYSA-N 1 0 350.384 4.036 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000057541793 136129582 /nfs/dbraw/zinc/12/95/82/136129582.db2.gz LSWATCSGKIYAJZ-UHFFFAOYSA-N 1 0 360.505 4.324 50 0 FIAARO c1ncc(-c2cccc(N3CCC([NH2+][C@@H]4CCc5ccccc5C4)CC3)c2)o1 ZINC000023312289 136152621 /nfs/dbraw/zinc/15/26/21/136152621.db2.gz WEFYIYWMMHPDCI-JOCHJYFZSA-N 1 0 373.500 4.458 50 0 FIAARO C[N@H+](CCCNC(=O)c1ccc(-c2ccc(O)cc2)cc1)C1CCCC1 ZINC000426580620 263637830 /nfs/dbraw/zinc/63/78/30/263637830.db2.gz AXHGBJMBAZCJPD-UHFFFAOYSA-N 1 0 352.478 4.054 50 0 FIAARO Cc1nc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cs1 ZINC000299799491 534422151 /nfs/dbraw/zinc/42/21/51/534422151.db2.gz SQTNELLIJZLRAS-KSZLIROESA-N 1 0 366.490 4.118 50 0 FIAARO CC1CC[NH+](C[C@@H](O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000000706985 521018034 /nfs/dbraw/zinc/01/80/34/521018034.db2.gz VDTHHHLGCXKCAO-QGZVFWFLSA-N 1 0 354.519 4.382 50 0 biogenic FIAARO CCc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020889754 521891985 /nfs/dbraw/zinc/89/19/85/521891985.db2.gz DARSUGOBLSCUSL-UHFFFAOYSA-N 1 0 369.484 4.422 50 0 FIAARO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578827 522919385 /nfs/dbraw/zinc/91/93/85/522919385.db2.gz AGWISLNBISLTME-KRWDZBQOSA-N 1 0 354.947 4.059 50 0 FIAARO Cc1ccc(CN(Cc2ccccn2)C(=O)CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000091493913 524420018 /nfs/dbraw/zinc/42/00/18/524420018.db2.gz NHEXIWJTIKTJIO-SFHVURJKSA-N 1 0 371.550 4.102 50 0 FIAARO Cc1ccc(C[NH2+]CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000020365909 524572834 /nfs/dbraw/zinc/57/28/34/524572834.db2.gz YVNQTMSLLRGDEI-UHFFFAOYSA-N 1 0 353.412 4.299 50 0 FIAARO Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c2ccccc2)cc1 ZINC000239433566 525978998 /nfs/dbraw/zinc/97/89/98/525978998.db2.gz XZUPZSNPYHGUPL-UEVCKROQSA-N 1 0 353.506 4.336 50 0 FIAARO O=C(c1ccccc1SC(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000089809709 526812432 /nfs/dbraw/zinc/81/24/32/526812432.db2.gz SVURCQGJJUILKZ-UHFFFAOYSA-N 1 0 354.466 4.092 50 0 FIAARO Cc1ccc2nc(C)cc(NC(=O)c3cncc(Br)c3)c2c1 ZINC000012325009 568178229 /nfs/dbraw/zinc/17/82/29/568178229.db2.gz YSLQDPWFTIFPPK-UHFFFAOYSA-N 1 0 356.223 4.261 50 0 FIAARO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356140 568546125 /nfs/dbraw/zinc/54/61/25/568546125.db2.gz FGBMBYJJNUFPSZ-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO Cc1nc(C(C)C)sc1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091915451 570442531 /nfs/dbraw/zinc/44/25/31/570442531.db2.gz UHYXSEXMUNCJEN-SFHVURJKSA-N 1 0 371.550 4.169 50 0 FIAARO O=C(c1[nH]c2ccccc2c1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000095353770 570452122 /nfs/dbraw/zinc/45/21/22/570452122.db2.gz ZSPXTSWJLOTSKF-HNNXBMFYSA-N 1 0 359.901 4.302 50 0 FIAARO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000000720910 570452847 /nfs/dbraw/zinc/45/28/47/570452847.db2.gz UFHWOVCVCKOHGI-MJGOQNOKSA-N 1 0 364.272 4.016 50 0 FIAARO CC1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC000000757902 570455253 /nfs/dbraw/zinc/45/52/53/570455253.db2.gz GPIMZKWOSTZHST-UHFFFAOYSA-N 1 0 352.316 4.311 50 0 FIAARO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1OCc1ccccc1 ZINC000000779522 570455758 /nfs/dbraw/zinc/45/57/58/570455758.db2.gz YZUAPYAOTIKHAI-UHFFFAOYSA-N 1 0 362.473 4.344 50 0 FIAARO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095383025 570459749 /nfs/dbraw/zinc/45/97/49/570459749.db2.gz FCKDUFBEIYYTCF-ZLGUVYLKSA-N 1 0 374.500 4.397 50 0 FIAARO CC(C)n1cncc1C[N@@H+]1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095516586 570466504 /nfs/dbraw/zinc/46/65/04/570466504.db2.gz JJNWGUJUMIAODH-NRFANRHFSA-N 1 0 355.482 4.038 50 0 FIAARO Cc1nc2cc(C(=O)N[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc2s1 ZINC000097173107 570484909 /nfs/dbraw/zinc/48/49/09/570484909.db2.gz BHSODXOUXROYMY-OAHLLOKOSA-N 1 0 371.531 4.061 50 0 FIAARO O=C1CCC2(CC[NH+](Cc3ccc(-c4ccccc4F)cc3)CC2)CCN1 ZINC000097505844 570488299 /nfs/dbraw/zinc/48/82/99/570488299.db2.gz JJGYYMMGAFQENA-UHFFFAOYSA-N 1 0 366.480 4.375 50 0 FIAARO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccccc1SCc1ccccc1F ZINC000097553227 570490378 /nfs/dbraw/zinc/49/03/78/570490378.db2.gz GKRGMEPTBCZIEZ-MRXNPFEDSA-N 1 0 373.497 4.382 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N(C/C=C/c1ccccc1)C1CC1 ZINC000097729546 570493513 /nfs/dbraw/zinc/49/35/13/570493513.db2.gz KFSXRIKONYVYKI-RMKNXTFCSA-N 1 0 350.462 4.193 50 0 FIAARO CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C)nc3ccc(C)cc32)C1 ZINC000097805552 570495141 /nfs/dbraw/zinc/49/51/41/570495141.db2.gz LEQFPVQWLPMHMC-QGZVFWFLSA-N 1 0 362.477 4.088 50 0 FIAARO CCn1c2ccccc2nc1CN1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000011663972 570503231 /nfs/dbraw/zinc/50/32/31/570503231.db2.gz BLXIPWDIFZRQPJ-QHCPKHFHSA-N 1 0 366.553 4.144 50 0 FIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101924340 570513682 /nfs/dbraw/zinc/51/36/82/570513682.db2.gz KZFKEOWRHLDDOK-ZSHCYNCHSA-N 1 0 366.383 4.157 50 0 FIAARO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000072233812 570536204 /nfs/dbraw/zinc/53/62/04/570536204.db2.gz PMVUKWUXUVWXEP-RPWUZVMVSA-N 1 0 358.485 4.192 50 0 FIAARO Cc1cccc([C@H]2C[C@@H](C(=O)NCC3CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733584 570549824 /nfs/dbraw/zinc/54/98/24/570549824.db2.gz ZJSINPZQBKTXNZ-XZOQPEGZSA-N 1 0 362.517 4.127 50 0 FIAARO Cc1cc(O[C@@H](CCN2CC[NH+](C)CC2)c2ccccc2)ccc1Cl ZINC000034727162 570550081 /nfs/dbraw/zinc/55/00/81/570550081.db2.gz SGLZTUFTXHKHNN-NRFANRHFSA-N 1 0 358.913 4.406 50 0 FIAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1 ZINC000034740451 570550487 /nfs/dbraw/zinc/55/04/87/570550487.db2.gz AHLMDPORSPYOKC-DENIHFKCSA-N 1 0 372.484 4.139 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000011916633 570600498 /nfs/dbraw/zinc/60/04/98/570600498.db2.gz WXHKBEGVIOSASJ-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO Cc1cc(Br)ccc1-c1ccc(CNCCC[NH+](C)C)o1 ZINC000004999732 570617479 /nfs/dbraw/zinc/61/74/79/570617479.db2.gz IBVCXGPCVCPUSZ-UHFFFAOYSA-N 1 0 351.288 4.059 50 0 FIAARO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000252491778 570622528 /nfs/dbraw/zinc/62/25/28/570622528.db2.gz LSXZPWYDSOSKFI-GFCCVEGCSA-N 1 0 352.356 4.003 50 0 FIAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005274980 570645872 /nfs/dbraw/zinc/64/58/72/570645872.db2.gz QIDGKKNCSDYWRY-WBMJQRKESA-N 1 0 367.396 4.427 50 0 FIAARO Cc1occc1C(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000011842200 570709343 /nfs/dbraw/zinc/70/93/43/570709343.db2.gz JGUIGDGMTDNUIW-UHFFFAOYSA-N 1 0 374.912 4.268 50 0 FIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000011840874 570709418 /nfs/dbraw/zinc/70/94/18/570709418.db2.gz POZACHWQJQWUGV-UHFFFAOYSA-N 1 0 367.489 4.301 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH2+]C[C@H]3CCCO3)c(-c3ccccc3)n2)c1 ZINC000011844010 570709826 /nfs/dbraw/zinc/70/98/26/570709826.db2.gz FDPHRUHXSITOPE-OAQYLSRUSA-N 1 0 361.489 4.425 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c2ccccc12 ZINC000011934202 570712027 /nfs/dbraw/zinc/71/20/27/570712027.db2.gz KNLDELXOWKDQIE-KRWDZBQOSA-N 1 0 366.505 4.119 50 0 FIAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccoc1C ZINC000011951543 570713178 /nfs/dbraw/zinc/71/31/78/570713178.db2.gz WBCASGSVAYUJEK-IBGZPJMESA-N 1 0 372.484 4.144 50 0 FIAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)c1 ZINC000011957932 570713518 /nfs/dbraw/zinc/71/35/18/570713518.db2.gz KXVKGOHSXLXGLZ-KRWDZBQOSA-N 1 0 356.470 4.149 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)c1C ZINC000012057686 570715968 /nfs/dbraw/zinc/71/59/68/570715968.db2.gz DVDUPUNBOHUKEI-QHCPKHFHSA-N 1 0 369.553 4.199 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc1 ZINC000012112052 570718735 /nfs/dbraw/zinc/71/87/35/570718735.db2.gz ZVCIVTLDAQIOIJ-GOSISDBHSA-N 1 0 353.462 4.189 50 0 FIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CCc1ccccc1Cl ZINC000012157907 570724084 /nfs/dbraw/zinc/72/40/84/570724084.db2.gz QWYFPOZUWLPFAC-SFHVURJKSA-N 1 0 374.887 4.193 50 0 FIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)oc1C ZINC000012192643 570725835 /nfs/dbraw/zinc/72/58/35/570725835.db2.gz NEGALDLHJNRAGA-OAHLLOKOSA-N 1 0 360.429 4.097 50 0 FIAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012195132 570726281 /nfs/dbraw/zinc/72/62/81/570726281.db2.gz BGRFKTCIXMQHMC-UHFFFAOYSA-N 1 0 374.488 4.346 50 0 FIAARO Cc1cccc(-n2cc(C[NH2+]C[C@H]3CCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000012200973 570727170 /nfs/dbraw/zinc/72/71/70/570727170.db2.gz VRGYYZUVTHSXJM-OAQYLSRUSA-N 1 0 365.452 4.255 50 0 FIAARO CCOC(=O)C1(CC2CC2)CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000012208800 570727962 /nfs/dbraw/zinc/72/79/62/570727962.db2.gz KDVGQGFSTBRBMI-SOFGYWHQSA-N 1 0 357.494 4.154 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000012299350 570733307 /nfs/dbraw/zinc/73/33/07/570733307.db2.gz PQPMGLZRJKYBNO-UHFFFAOYSA-N 1 0 368.525 4.322 50 0 FIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1C ZINC000012306018 570734785 /nfs/dbraw/zinc/73/47/85/570734785.db2.gz KWOMTBXAYOKOME-SFHVURJKSA-N 1 0 352.478 4.110 50 0 FIAARO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000012438049 570745112 /nfs/dbraw/zinc/74/51/12/570745112.db2.gz BJWRHWDOZDGBLC-LJQANCHMSA-N 1 0 352.478 4.423 50 0 FIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)[C@H]1CC=CCC1 ZINC000012453156 570747023 /nfs/dbraw/zinc/74/70/23/570747023.db2.gz WNOQAKHZFVZHRS-FQEVSTJZSA-N 1 0 374.956 4.409 50 0 FIAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000012575220 570750996 /nfs/dbraw/zinc/75/09/96/570750996.db2.gz VRQKEIZHOLKDJP-OAHLLOKOSA-N 1 0 354.372 4.016 50 0 FIAARO O=C(c1ccccc1OC1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCCC1 ZINC000012577386 570751335 /nfs/dbraw/zinc/75/13/35/570751335.db2.gz OOVJGAJMPMEPHM-LJQANCHMSA-N 1 0 368.521 4.122 50 0 FIAARO CCc1ccc2c(C[N@H+](C)CCOc3cccc(C)c3)cc(=O)oc2c1 ZINC000012793216 570762213 /nfs/dbraw/zinc/76/22/13/570762213.db2.gz NXSKCQIFTKOSNL-UHFFFAOYSA-N 1 0 351.446 4.175 50 0 FIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccccc1F ZINC000012981222 570770284 /nfs/dbraw/zinc/77/02/84/570770284.db2.gz LQUUCEXZKJEJCI-SFHVURJKSA-N 1 0 361.848 4.438 50 0 FIAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 ZINC000012994139 570771128 /nfs/dbraw/zinc/77/11/28/570771128.db2.gz ASXRPZQTFQEJNO-QFIPXVFZSA-N 1 0 362.477 4.106 50 0 FIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1nc(Cl)ccc1Cl ZINC000032762016 570795839 /nfs/dbraw/zinc/79/58/39/570795839.db2.gz LNILWOXPMJBEQM-LBPRGKRZSA-N 1 0 370.305 4.017 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000014263242 570817269 /nfs/dbraw/zinc/81/72/69/570817269.db2.gz ZLFJVVQRPOEFFB-SFHVURJKSA-N 1 0 369.852 4.028 50 0 FIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2CCc2ccccc2)c1 ZINC000165179216 570818276 /nfs/dbraw/zinc/81/82/76/570818276.db2.gz ZAMHNOMJPXZDFV-JTHBVZDNSA-N 1 0 364.533 4.322 50 0 FIAARO C[N@@H+]1CCCC[C@H]1CCSc1nnc(NCCc2cccs2)s1 ZINC000032854540 570822043 /nfs/dbraw/zinc/82/20/43/570822043.db2.gz OIHYORSZUVHICN-ZDUSSCGKSA-N 1 0 368.597 4.221 50 0 FIAARO COc1ccc(F)c(-c2nc(C[N@H+](CC3CC3)C[C@H]3CCCO3)c(C)o2)c1 ZINC000014972544 570827536 /nfs/dbraw/zinc/82/75/36/570827536.db2.gz UMGQYGSUUHXYFN-QGZVFWFLSA-N 1 0 374.456 4.189 50 0 FIAARO C/C=C(\C)C[NH+]1CCC(c2nnc(SC)n2-c2cccc(OC)c2)CC1 ZINC000015003371 570828926 /nfs/dbraw/zinc/82/89/26/570828926.db2.gz HGTMCVFXTPHBOY-PJQLUOCWSA-N 1 0 372.538 4.143 50 0 FIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000015070518 570831530 /nfs/dbraw/zinc/83/15/30/570831530.db2.gz RNWKYFBTJFQPBQ-GOSISDBHSA-N 1 0 353.510 4.121 50 0 FIAARO CCOc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)cc1OC ZINC000016561273 570858148 /nfs/dbraw/zinc/85/81/48/570858148.db2.gz IERPDBUNRKRCCT-UHFFFAOYSA-N 1 0 367.445 4.141 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000016753972 570861995 /nfs/dbraw/zinc/86/19/95/570861995.db2.gz OBUGSZQWOXUWIW-HXUWFJFHSA-N 1 0 372.896 4.306 50 0 biogenic FIAARO Cc1cc(NC(=O)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000071950399 570877833 /nfs/dbraw/zinc/87/78/33/570877833.db2.gz FBIJPBUOMIMJDW-UHFFFAOYSA-N 1 0 368.264 4.283 50 0 FIAARO Brc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019361661 570887395 /nfs/dbraw/zinc/88/73/95/570887395.db2.gz SFVHCYVJTXSHTH-UHFFFAOYSA-N 1 0 351.332 4.290 50 0 FIAARO c1cc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000019606895 570895765 /nfs/dbraw/zinc/89/57/65/570895765.db2.gz YUPGXTWALRGGDS-HXUWFJFHSA-N 1 0 352.526 4.007 50 0 FIAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000020123902 570910374 /nfs/dbraw/zinc/91/03/74/570910374.db2.gz BMOAYKAROHLNIS-YJBOKZPZSA-N 1 0 351.332 4.145 50 0 FIAARO O=c1oc2ccccc2n1CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000071982586 570916513 /nfs/dbraw/zinc/91/65/13/570916513.db2.gz GCEQXJPXHWXRDD-OAQYLSRUSA-N 1 0 362.404 4.113 50 0 FIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)c1 ZINC000020455098 570916658 /nfs/dbraw/zinc/91/66/58/570916658.db2.gz FYEUBRXSTPYRMJ-UHFFFAOYSA-N 1 0 360.505 4.435 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC(F)F)[NH2+]CC2 ZINC000020506989 570919264 /nfs/dbraw/zinc/91/92/64/570919264.db2.gz KUQFMGPZDMVJQS-LJQANCHMSA-N 1 0 363.404 4.321 50 0 FIAARO O=C(Nc1cccc(O)c1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020745099 570925172 /nfs/dbraw/zinc/92/51/72/570925172.db2.gz SUFMRZVONKUUMY-UHFFFAOYSA-N 1 0 358.441 4.052 50 0 FIAARO Cc1ccccc1-c1cccc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000020916207 570926603 /nfs/dbraw/zinc/92/66/03/570926603.db2.gz LNLYLJOAPVAXJQ-QFIPXVFZSA-N 1 0 350.506 4.088 50 0 FIAARO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021720011 570933469 /nfs/dbraw/zinc/93/34/69/570933469.db2.gz JVTIOAXSVQAWJC-LJQANCHMSA-N 1 0 366.465 4.417 50 0 FIAARO CCOc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000048120466 570934583 /nfs/dbraw/zinc/93/45/83/570934583.db2.gz FMHYZUPJCJCXJM-UHFFFAOYSA-N 1 0 371.456 4.011 50 0 FIAARO COc1cccc(-c2nc(C[NH2+]CCc3cc(C)ccc3OC)cs2)c1 ZINC000025638992 570998345 /nfs/dbraw/zinc/99/83/45/570998345.db2.gz IZUAEUGTPOSVOQ-UHFFFAOYSA-N 1 0 368.502 4.468 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000025828042 571001120 /nfs/dbraw/zinc/00/11/20/571001120.db2.gz RHMUJFAJNYIFDL-UHFFFAOYSA-N 1 0 362.395 4.100 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581766 571014391 /nfs/dbraw/zinc/01/43/91/571014391.db2.gz GQONCRCGWWMNMX-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 FIAARO CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027584147 571015269 /nfs/dbraw/zinc/01/52/69/571015269.db2.gz IAZIYCRCNGOEJX-SFHVURJKSA-N 1 0 372.534 4.494 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027584798 571015543 /nfs/dbraw/zinc/01/55/43/571015543.db2.gz DKTBMQUXYNRRRZ-LJQANCHMSA-N 1 0 372.534 4.492 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027793111 571021136 /nfs/dbraw/zinc/02/11/36/571021136.db2.gz DNQBOPKQVGXJSG-OAQYLSRUSA-N 1 0 366.505 4.351 50 0 FIAARO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000029482362 571040124 /nfs/dbraw/zinc/04/01/24/571040124.db2.gz AHBSOUAKQWUYMJ-KRWDZBQOSA-N 1 0 364.367 4.143 50 0 FIAARO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000072286592 571041556 /nfs/dbraw/zinc/04/15/56/571041556.db2.gz MPPSEMWUIGXGRV-GOSISDBHSA-N 1 0 353.384 4.316 50 0 FIAARO Fc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000225522231 571042837 /nfs/dbraw/zinc/04/28/37/571042837.db2.gz NBXQQBHZECADAE-XHSDSOJGSA-N 1 0 354.263 4.026 50 0 FIAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000028925752 571043577 /nfs/dbraw/zinc/04/35/77/571043577.db2.gz ZBEIIRSKZMWFGQ-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCC(=O)N2CCc3ccccc32)C2CC2)o1 ZINC000030152794 571045893 /nfs/dbraw/zinc/04/58/93/571045893.db2.gz SNIDRVQYHGVCNS-OXQOHEQNSA-N 1 0 364.489 4.347 50 0 FIAARO CN(c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1)C1CC[NH+](C)CC1 ZINC000083877532 571055748 /nfs/dbraw/zinc/05/57/48/571055748.db2.gz KUWJPONVNRNOSB-UHFFFAOYSA-N 1 0 374.435 4.139 50 0 FIAARO COC(=O)CCN(Cc1cccc(F)c1F)Cc1cccc2cccnc21 ZINC000072305043 571060675 /nfs/dbraw/zinc/06/06/75/571060675.db2.gz FBKGIYCQGGTOEZ-UHFFFAOYSA-N 1 0 370.399 4.078 50 0 FIAARO CN(CC(F)F)C1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072308772 571066418 /nfs/dbraw/zinc/06/64/18/571066418.db2.gz BSVJHBCCDCNSMC-UHFFFAOYSA-N 1 0 354.485 4.024 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccccc2F)cc1 ZINC000034894780 571075002 /nfs/dbraw/zinc/07/50/02/571075002.db2.gz IXBUGEWJPBWPTL-RXVVDRJESA-N 1 0 373.468 4.191 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)C3CCCCCC3)c(C)c2)CC1 ZINC000040103841 571076646 /nfs/dbraw/zinc/07/66/46/571076646.db2.gz NZJJIMWURQHYCP-UHFFFAOYSA-N 1 0 372.557 4.323 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3C)cc(=O)oc2c1C ZINC000012762379 571082385 /nfs/dbraw/zinc/08/23/85/571082385.db2.gz WPUBNNWWBJUWDP-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032983600 571082896 /nfs/dbraw/zinc/08/28/96/571082896.db2.gz ZMGXAURLYSWZFQ-FQEVSTJZSA-N 1 0 366.436 4.020 50 0 FIAARO C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2F)c2ccccc2S1 ZINC000069194103 571091497 /nfs/dbraw/zinc/09/14/97/571091497.db2.gz IEUFKIYSTOLGNU-OAHLLOKOSA-N 1 0 358.482 4.175 50 0 FIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000012772306 571091716 /nfs/dbraw/zinc/09/17/16/571091716.db2.gz GJSGERRNVOZAEL-OAHLLOKOSA-N 1 0 358.432 4.442 50 0 FIAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012776321 571095468 /nfs/dbraw/zinc/09/54/68/571095468.db2.gz ZLWYUOVVOINETI-OAHLLOKOSA-N 1 0 369.436 4.253 50 0 FIAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(NS(C)(=O)=O)cc1 ZINC000069421053 571098233 /nfs/dbraw/zinc/09/82/33/571098233.db2.gz AYLYSIZQGDAGOE-LLVKDONJSA-N 1 0 373.305 4.216 50 0 FIAARO CSCc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000033023417 571106825 /nfs/dbraw/zinc/10/68/25/571106825.db2.gz OAHLSAQQXRPVJY-UHFFFAOYSA-N 1 0 360.567 4.468 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000012810176 571111305 /nfs/dbraw/zinc/11/13/05/571111305.db2.gz CRLAIAQPBJRWEB-AVRDEDQJSA-N 1 0 366.505 4.326 50 0 FIAARO Cc1sc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000001465468 571116111 /nfs/dbraw/zinc/11/61/11/571116111.db2.gz CGRZMNFYFYJXES-UHFFFAOYSA-N 1 0 352.507 4.385 50 0 FIAARO Cc1cccc(N2CC[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)C[C@H]2C)c1 ZINC000013795910 571119238 /nfs/dbraw/zinc/11/92/38/571119238.db2.gz LIRBXIRXDPHRSE-GOSISDBHSA-N 1 0 362.473 4.121 50 0 FIAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(F)cc1 ZINC000010139752 571122922 /nfs/dbraw/zinc/12/29/22/571122922.db2.gz BUANXJQWFMQNBP-UHFFFAOYSA-N 1 0 351.425 4.125 50 0 FIAARO COc1cccc([C@H](C[NH2+]Cc2c(F)cccc2Cl)N2CCCC2)c1 ZINC000071798730 571125759 /nfs/dbraw/zinc/12/57/59/571125759.db2.gz JSKDIZQMOWGQHD-FQEVSTJZSA-N 1 0 362.876 4.414 50 0 FIAARO C[C@H]1CCCN(Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 ZINC000012849179 571128458 /nfs/dbraw/zinc/12/84/58/571128458.db2.gz AYQJPZAERJSSBD-LBPRGKRZSA-N 1 0 372.469 4.248 50 0 FIAARO C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4ccco4)[NH+](C)C)c32)C1 ZINC000012856380 571129444 /nfs/dbraw/zinc/12/94/44/571129444.db2.gz FXFXNZBMQSIEAG-TZMCWYRMSA-N 1 0 356.495 4.124 50 0 FIAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000015831703 571130725 /nfs/dbraw/zinc/13/07/25/571130725.db2.gz MNJBHKZMNLNGEB-KRWDZBQOSA-N 1 0 357.885 4.026 50 0 FIAARO O=C(NCc1ccco1)C1CC[NH+](Cc2csc3c2cccc3F)CC1 ZINC000079058615 571135752 /nfs/dbraw/zinc/13/57/52/571135752.db2.gz WKJBQYVHYRCUMO-UHFFFAOYSA-N 1 0 372.465 4.162 50 0 FIAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CCC ZINC000026121474 571140412 /nfs/dbraw/zinc/14/04/12/571140412.db2.gz UNBNGXMJIPWICB-UHFFFAOYSA-N 1 0 356.514 4.417 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccsc1 ZINC000025330661 571143508 /nfs/dbraw/zinc/14/35/08/571143508.db2.gz UITXZNIAKSOMGF-LJQANCHMSA-N 1 0 358.551 4.397 50 0 FIAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](C[NH3+])C1 ZINC000067894772 571151435 /nfs/dbraw/zinc/15/14/35/571151435.db2.gz UEJOGNZOVFTFHS-KRWDZBQOSA-N 1 0 363.461 4.223 50 0 FIAARO Cc1noc(-c2ccnc(Oc3ccccc3C[NH+]3CCCCC3)c2)n1 ZINC000067934668 571152104 /nfs/dbraw/zinc/15/21/04/571152104.db2.gz KJJUHGSVIAHKDB-UHFFFAOYSA-N 1 0 350.422 4.218 50 0 FIAARO CC(C)Oc1cccc(F)c1-c1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000067955463 571152356 /nfs/dbraw/zinc/15/23/56/571152356.db2.gz JYBSYELOQIXTNH-FQEVSTJZSA-N 1 0 351.425 4.238 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cn1 ZINC000071751368 571164946 /nfs/dbraw/zinc/16/49/46/571164946.db2.gz RMGHADKKDSYUSQ-QGZVFWFLSA-N 1 0 356.489 4.281 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000575618675 571171372 /nfs/dbraw/zinc/17/13/72/571171372.db2.gz AWDHGVAYLARJQU-OAHLLOKOSA-N 1 0 365.458 4.075 50 0 FIAARO COc1cccc2ccc(CN3CCC[N@H+](Cc4cccs4)CC3)nc21 ZINC000072154398 571174941 /nfs/dbraw/zinc/17/49/41/571174941.db2.gz DAZPKZHJMKNJBY-UHFFFAOYSA-N 1 0 367.518 4.013 50 0 FIAARO Clc1ccc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)s1 ZINC000072173786 571177658 /nfs/dbraw/zinc/17/76/58/571177658.db2.gz QZOUSDUMPAJZCA-UHFFFAOYSA-N 1 0 350.919 4.099 50 0 FIAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccncc2)cc1 ZINC000012543207 571177639 /nfs/dbraw/zinc/17/76/39/571177639.db2.gz MQAFEMBGKSUWAS-UHFFFAOYSA-N 1 0 358.420 4.363 50 0 FIAARO O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(Br)o1 ZINC000090607217 571179848 /nfs/dbraw/zinc/17/98/48/571179848.db2.gz PDDIZVAABVDGBR-UHFFFAOYSA-N 1 0 372.222 4.104 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012998473 571187469 /nfs/dbraw/zinc/18/74/69/571187469.db2.gz RFZBBYNGAGHBMH-UHFFFAOYSA-N 1 0 358.485 4.163 50 0 FIAARO Cc1cccc(C2(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)o3)CC2)c1 ZINC000299757253 571192576 /nfs/dbraw/zinc/19/25/76/571192576.db2.gz KMBAFJYTXJWWBJ-UHFFFAOYSA-N 1 0 352.478 4.239 50 0 FIAARO O=C(CSc1ccc(Cl)cc1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072428843 571195241 /nfs/dbraw/zinc/19/52/41/571195241.db2.gz CHKKEBZBMCWDGD-SJORKVTESA-N 1 0 352.931 4.002 50 0 FIAARO CN1C[C@@]2(CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)OC1=O ZINC000072430454 571195545 /nfs/dbraw/zinc/19/55/45/571195545.db2.gz VRBSPWINEMMJPO-OAQYLSRUSA-N 1 0 350.418 4.003 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccncc1Cl ZINC000299779861 571197683 /nfs/dbraw/zinc/19/76/83/571197683.db2.gz IUXWIQMFSCFAIV-LJQANCHMSA-N 1 0 357.885 4.082 50 0 FIAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1cccc(F)c1 ZINC000022343108 571201757 /nfs/dbraw/zinc/20/17/57/571201757.db2.gz ZXVQTFUOXFSJGQ-AWEZNQCLSA-N 1 0 361.461 4.029 50 0 FIAARO CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033268848 571203869 /nfs/dbraw/zinc/20/38/69/571203869.db2.gz KGXCINFEPQILBT-UHFFFAOYSA-N 1 0 355.507 4.210 50 0 FIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436622 571211415 /nfs/dbraw/zinc/21/14/15/571211415.db2.gz XLUPAQLNJYPMDI-NRFANRHFSA-N 1 0 361.493 4.093 50 0 FIAARO CCCn1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000077472481 571213102 /nfs/dbraw/zinc/21/31/02/571213102.db2.gz KXFYCYZIWNHACO-OAQYLSRUSA-N 1 0 368.525 4.031 50 0 FIAARO CN(C)c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077504214 571213734 /nfs/dbraw/zinc/21/37/34/571213734.db2.gz LQQDKXRAHJRFER-JOCHJYFZSA-N 1 0 365.521 4.182 50 0 FIAARO CO[C@]12CC[N@H+](Cc3ccc(Cl)cc3F)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426360094 571215243 /nfs/dbraw/zinc/21/52/43/571215243.db2.gz GXIIPZZCFVDWJX-YSIASYRMSA-N 1 0 367.892 4.418 50 0 FIAARO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000096968075 571217257 /nfs/dbraw/zinc/21/72/57/571217257.db2.gz STSKQUKACYYHCC-INIZCTEOSA-N 1 0 352.265 4.418 50 0 FIAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000023127961 571217398 /nfs/dbraw/zinc/21/73/98/571217398.db2.gz TWCMWAQIMHTVMR-UHFFFAOYSA-N 1 0 354.416 4.090 50 0 FIAARO C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCCCO1 ZINC000097493170 571232260 /nfs/dbraw/zinc/23/22/60/571232260.db2.gz VWLCESDEJWMWIM-CYBMUJFWSA-N 1 0 364.230 4.051 50 0 FIAARO CCC(=O)c1ccc(-c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)cc1 ZINC000426632966 571233959 /nfs/dbraw/zinc/23/39/59/571233959.db2.gz YQPHANBIDHVKLK-UHFFFAOYSA-N 1 0 352.478 4.016 50 0 FIAARO CN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426707252 571235869 /nfs/dbraw/zinc/23/58/69/571235869.db2.gz SCEPRMDQWQWZGW-FQEVSTJZSA-N 1 0 355.482 4.038 50 0 FIAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCC(Oc2ccncc2)CC1 ZINC000091535712 571240419 /nfs/dbraw/zinc/24/04/19/571240419.db2.gz LAHNXMIQVHIRAL-UHFFFAOYSA-N 1 0 350.418 4.128 50 0 FIAARO O=C1NCCC[C@]12CC[N@@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)C2 ZINC000091616842 571241278 /nfs/dbraw/zinc/24/12/78/571241278.db2.gz WIDNWHWVDPOXHU-OAQYLSRUSA-N 1 0 370.880 4.234 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)s1)C2 ZINC000091690103 571242350 /nfs/dbraw/zinc/24/23/50/571242350.db2.gz AXBUHDZDHLHQGE-LSDHHAIUSA-N 1 0 365.930 4.103 50 0 FIAARO CCn1ccnc1C1CC[NH+](Cc2nc(-c3ccccc3F)oc2C)CC1 ZINC000091746180 571243332 /nfs/dbraw/zinc/24/33/32/571243332.db2.gz BWWUTHSGQVMUGD-UHFFFAOYSA-N 1 0 368.456 4.385 50 0 FIAARO O=C(c1ccoc1)N1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000170602730 571267109 /nfs/dbraw/zinc/26/71/09/571267109.db2.gz FIULZNGBWSFLSM-UHFFFAOYSA-N 1 0 352.478 4.011 50 0 FIAARO C[C@H]1C[C@@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000076021765 571273669 /nfs/dbraw/zinc/27/36/69/571273669.db2.gz UEEMZVARDQTTSH-ZFWWWQNUSA-N 1 0 373.324 4.094 50 0 FIAARO Cc1cc(Oc2cc(N3CC[NH+](C4CCCC4)CC3)ncn2)ccc1Cl ZINC000037376491 571279511 /nfs/dbraw/zinc/27/95/11/571279511.db2.gz YHHRHXRHQCKIEG-UHFFFAOYSA-N 1 0 372.900 4.295 50 0 FIAARO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000252517242 571282007 /nfs/dbraw/zinc/28/20/07/571282007.db2.gz CQUSTFONQRXFHY-UGSOOPFHSA-N 1 0 369.336 4.465 50 0 FIAARO CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000252536740 571282941 /nfs/dbraw/zinc/28/29/41/571282941.db2.gz JKKTWTOHFOBBFV-UHFFFAOYSA-N 1 0 350.466 4.284 50 0 FIAARO O=C(NC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1)C1CCCCC1 ZINC000252550152 571283450 /nfs/dbraw/zinc/28/34/50/571283450.db2.gz SBCCUBXHSYBDIZ-HXUWFJFHSA-N 1 0 362.558 4.029 50 0 FIAARO Cc1ccc2oc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)cc2n1 ZINC000252572010 571283701 /nfs/dbraw/zinc/28/37/01/571283701.db2.gz YTGXTTQBUZLSHY-MRXNPFEDSA-N 1 0 363.461 4.092 50 0 FIAARO Brc1ncc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000253431734 571316410 /nfs/dbraw/zinc/31/64/10/571316410.db2.gz XICXNWZVTHQQCC-SWLSCSKDSA-N 1 0 367.312 4.163 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000095454780 571330013 /nfs/dbraw/zinc/33/00/13/571330013.db2.gz BFKDPALVEXNKLX-MRXNPFEDSA-N 1 0 352.409 4.419 50 0 FIAARO CCc1ccc2c(COC(=O)C(C)(C)[N@H+](C)C3CCCC3)cc(=O)oc2c1 ZINC000095466530 571330485 /nfs/dbraw/zinc/33/04/85/571330485.db2.gz FLYUHLSZRZBBPG-UHFFFAOYSA-N 1 0 371.477 4.052 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000020858337 571331758 /nfs/dbraw/zinc/33/17/58/571331758.db2.gz CXMMAVWVNCNJMI-HNNXBMFYSA-N 1 0 370.518 4.302 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000020858333 571331793 /nfs/dbraw/zinc/33/17/93/571331793.db2.gz CXMMAVWVNCNJMI-OAHLLOKOSA-N 1 0 370.518 4.302 50 0 FIAARO CCN(C(=O)Nc1ccc(C)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095942379 571332447 /nfs/dbraw/zinc/33/24/47/571332447.db2.gz AQDNJHMQLASVHY-SFHVURJKSA-N 1 0 355.457 4.262 50 0 FIAARO c1ncn(Cc2ccc(C[NH2+]C3c4ccccc4-c4ccccc43)cc2)n1 ZINC000095947350 571332529 /nfs/dbraw/zinc/33/25/29/571332529.db2.gz PGEPUACFRPUMLZ-UHFFFAOYSA-N 1 0 352.441 4.186 50 0 FIAARO CCCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021148705 571333262 /nfs/dbraw/zinc/33/32/62/571333262.db2.gz BJWTXMSEHTUWIB-IBGZPJMESA-N 1 0 358.526 4.346 50 0 FIAARO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2cccc(C(N)=O)c2)C(C)(C)O1 ZINC000095992213 571333522 /nfs/dbraw/zinc/33/35/22/571333522.db2.gz PMYLGGIJUSQJKN-FQEVSTJZSA-N 1 0 366.505 4.134 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc(F)cc1 ZINC000096003582 571333833 /nfs/dbraw/zinc/33/38/33/571333833.db2.gz RVPDFAUNTVWFSN-QFBILLFUSA-N 1 0 373.468 4.006 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000096012123 571333996 /nfs/dbraw/zinc/33/39/96/571333996.db2.gz VPNRECHNMDXGCZ-UHFFFAOYSA-N 1 0 363.383 4.339 50 0 FIAARO Cc1ccccc1O[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000096027292 571334116 /nfs/dbraw/zinc/33/41/16/571334116.db2.gz FZUBFAHYPAXZMU-JOCHJYFZSA-N 1 0 368.521 4.350 50 0 FIAARO Cc1ccc([C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281444 571335038 /nfs/dbraw/zinc/33/50/38/571335038.db2.gz PHPFSGRLXWCUSC-VXKWHMMOSA-N 1 0 354.538 4.213 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714522 571335677 /nfs/dbraw/zinc/33/56/77/571335677.db2.gz ZKBBFOFYAGIURQ-ZDUSSCGKSA-N 1 0 371.872 4.225 50 0 FIAARO COc1ccccc1C[C@@H](C)[NH2+][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000162767664 571343570 /nfs/dbraw/zinc/34/35/70/571343570.db2.gz HXDBBLASJYQSBK-BEFAXECRSA-N 1 0 366.465 4.058 50 0 FIAARO Cc1nccn1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)o1 ZINC000670441128 571348567 /nfs/dbraw/zinc/34/85/67/571348567.db2.gz QZBUNXPJWYVGAC-UHFFFAOYSA-N 1 0 369.490 4.205 50 0 FIAARO Cc1c2cccc(Cl)c2oc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008232070 571360012 /nfs/dbraw/zinc/36/00/12/571360012.db2.gz VHPBVWQHKJKNCD-INIZCTEOSA-N 1 0 368.864 4.399 50 0 FIAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)C2(c3ccccc3)CC2)CC1 ZINC000581788048 1084598368 /nfs/dbraw/zinc/59/83/68/1084598368.db2.gz QGEXQHRVSUSTGI-OAQYLSRUSA-N 1 0 354.538 4.221 50 0 FIAARO CCCOc1ccc([C@H](C(=O)OCC[NH+](CC)CC)c2ccccc2)cc1 ZINC000002814233 1084758157 /nfs/dbraw/zinc/75/81/57/1084758157.db2.gz DRGKNKDZSFIMOW-JOCHJYFZSA-N 1 0 369.505 4.492 50 0 FIAARO c1cn([C@H]2CC[N@@H+](C3CCN(c4ccc(-c5ccccc5)cc4)CC3)C2)cn1 ZINC000023145482 1086054643 /nfs/dbraw/zinc/05/46/43/1086054643.db2.gz HSYPRQUZAVUFCE-DEOSSOPVSA-N 1 0 372.516 4.466 50 0 FIAARO O=c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000023192166 1086189539 /nfs/dbraw/zinc/18/95/39/1086189539.db2.gz SDAZFXSOEPRAIM-UHFFFAOYSA-N 1 0 365.864 4.353 50 0 FIAARO Cc1nc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cs1 ZINC000024321114 1087607518 /nfs/dbraw/zinc/60/75/18/1087607518.db2.gz HSGZCYCELQNEGX-UHFFFAOYSA-N 1 0 368.458 4.049 50 0 FIAARO c1c(C[NH+]2CCC(c3nc4ccccc4o3)CC2)onc1-c1ccncc1 ZINC000252480256 1093609669 /nfs/dbraw/zinc/60/96/69/1093609669.db2.gz BZBPOHFEFKVDBB-UHFFFAOYSA-N 1 0 360.417 4.257 50 0 FIAARO c1c2c(sc1-c1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CCOC2 ZINC000329568606 1094976273 /nfs/dbraw/zinc/97/62/73/1094976273.db2.gz LPQWNODNTKLPCT-UHFFFAOYSA-N 1 0 367.474 4.134 50 0 FIAARO CSc1ccccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507103502 1103116034 /nfs/dbraw/zinc/11/60/34/1103116034.db2.gz OPIKFFOTOMOKAX-UHFFFAOYSA-N 1 0 368.546 4.189 50 0 FIAARO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC1=CCCOC1 ZINC000678130507 1120944535 /nfs/dbraw/zinc/94/45/35/1120944535.db2.gz UUMNUALQAWJBGM-KRWDZBQOSA-N 1 0 350.462 4.278 50 0 FIAARO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC1=CCCOC1 ZINC000678130508 1120944768 /nfs/dbraw/zinc/94/47/68/1120944768.db2.gz UUMNUALQAWJBGM-QGZVFWFLSA-N 1 0 350.462 4.278 50 0 FIAARO Fc1ccccc1CN1CCC[C@]2(CC[N@@H+](C3Cc4ccccc4C3)C2)C1 ZINC000011818182 1125151915 /nfs/dbraw/zinc/15/19/15/1125151915.db2.gz DEPUZRWFKRGPKH-DEOSSOPVSA-N 1 0 364.508 4.281 50 0 FIAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227310 /nfs/dbraw/zinc/22/73/10/1125227310.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 1 0 368.521 4.189 50 0 FIAARO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(OC)c1OC ZINC000001231662 203995865 /nfs/dbraw/zinc/99/58/65/203995865.db2.gz FTZQYZYEQLWONF-UHFFFAOYSA-N 1 0 365.473 4.273 50 0 FIAARO COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010330594 204009840 /nfs/dbraw/zinc/00/98/40/204009840.db2.gz XTEUUYIKZDRCJG-QHCPKHFHSA-N 1 0 374.484 4.415 50 0 FIAARO Cc1cccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000001757100 204018266 /nfs/dbraw/zinc/01/82/66/204018266.db2.gz PFYXKGWRNAYAQO-HSZRJFAPSA-N 1 0 361.485 4.437 50 0 FIAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCC[NH+](C)C)cc12 ZINC000002075020 204025236 /nfs/dbraw/zinc/02/52/36/204025236.db2.gz JJCRZGZRPJNFEL-UHFFFAOYSA-N 1 0 364.489 4.415 50 0 biogenic FIAARO CCc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCCC2 ZINC000002275228 204032124 /nfs/dbraw/zinc/03/21/24/204032124.db2.gz DMMVKQPVKCSXSC-UHFFFAOYSA-N 1 0 369.538 4.044 50 0 FIAARO Cc1ccc(-c2nc(=S)c3c(n2CCC[NH+](C)C)CC(C)(C)OC3)cc1 ZINC000002384996 204036406 /nfs/dbraw/zinc/03/64/06/204036406.db2.gz MRWZYIUQCLDCPT-UHFFFAOYSA-N 1 0 371.550 4.391 50 0 FIAARO CC[NH+](CC)CCCCCOc1ccc(I)cc1 ZINC000002880350 204066307 /nfs/dbraw/zinc/06/63/07/204066307.db2.gz YJBVVLXEDMWVBK-UHFFFAOYSA-N 1 0 361.267 4.182 50 0 FIAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH2+]CC(C)C ZINC000003292402 204088409 /nfs/dbraw/zinc/08/84/09/204088409.db2.gz SGHTZIOPEJPKSP-CQSZACIVSA-N 1 0 374.506 4.164 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000002735152 204052714 /nfs/dbraw/zinc/05/27/14/204052714.db2.gz JUMJMQVCTRHKTK-IYBDPMFKSA-N 1 0 365.359 4.391 50 0 FIAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000002741242 204054548 /nfs/dbraw/zinc/05/45/48/204054548.db2.gz ZRMBITAGODZGNW-UHFFFAOYSA-N 1 0 352.478 4.435 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000003665599 204110872 /nfs/dbraw/zinc/11/08/72/204110872.db2.gz ZAJMWASSMADNBN-UHFFFAOYSA-N 1 0 361.580 4.380 50 0 FIAARO CC[NH+](CC)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864454 204111775 /nfs/dbraw/zinc/11/17/75/204111775.db2.gz ZQLSTGALJGDIEY-FCSDKFEESA-N 1 0 357.538 4.236 50 0 FIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000003904930 204114163 /nfs/dbraw/zinc/11/41/63/204114163.db2.gz PDIXGTGFDXWHMR-HZSPNIEDSA-N 1 0 354.288 4.257 50 0 FIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000003588718 204106630 /nfs/dbraw/zinc/10/66/30/204106630.db2.gz DGSKHLINSOZAJX-UHFFFAOYSA-N 1 0 357.926 4.372 50 0 FIAARO O=C(CC[NH+]1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000004278774 204130086 /nfs/dbraw/zinc/13/00/86/204130086.db2.gz SXFUOLBXSOHECL-SFHVURJKSA-N 1 0 371.868 4.097 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2ccc(C)cc2s1 ZINC000004359435 204136237 /nfs/dbraw/zinc/13/62/37/204136237.db2.gz ABDWWNLXSIGMEJ-UHFFFAOYSA-N 1 0 357.479 4.186 50 0 FIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000004510541 204143382 /nfs/dbraw/zinc/14/33/82/204143382.db2.gz HKOFYQMCTLNRRX-QGZVFWFLSA-N 1 0 361.869 4.196 50 0 FIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C(C)(C)C ZINC000004992304 204183470 /nfs/dbraw/zinc/18/34/70/204183470.db2.gz RJMBNFLEYUTTOZ-MOPGFXCFSA-N 1 0 372.896 4.199 50 0 FIAARO O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1CC[NH+]1CCCCC1 ZINC000005046913 204187006 /nfs/dbraw/zinc/18/70/06/204187006.db2.gz JGMSCKSMQOWJBK-INIZCTEOSA-N 1 0 359.322 4.053 50 0 FIAARO CCOc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000006357338 204245525 /nfs/dbraw/zinc/24/55/25/204245525.db2.gz TUCDXOFJSOFFJW-SFHVURJKSA-N 1 0 371.506 4.342 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000006602042 204255840 /nfs/dbraw/zinc/25/58/40/204255840.db2.gz DUFFAVQEXYFQJH-SFHVURJKSA-N 1 0 372.559 4.198 50 0 FIAARO CCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)ccc21 ZINC000006912712 204281299 /nfs/dbraw/zinc/28/12/99/204281299.db2.gz GDBUVZSNODBIPU-INIZCTEOSA-N 1 0 355.526 4.272 50 0 FIAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000007359572 204295435 /nfs/dbraw/zinc/29/54/35/204295435.db2.gz DCUSQYYGQZTRPW-QFIPXVFZSA-N 1 0 363.505 4.235 50 0 FIAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000006703606 204261725 /nfs/dbraw/zinc/26/17/25/204261725.db2.gz ZJXOSHTUJCTPOY-UHFFFAOYSA-N 1 0 360.281 4.037 50 0 FIAARO CCCn1c2ccc(F)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000006721440 204263141 /nfs/dbraw/zinc/26/31/41/204263141.db2.gz HRLJAEIRFSEJAW-UHFFFAOYSA-N 1 0 373.501 4.107 50 0 aggregator FIAARO COc1ccc(OC)c(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000006741807 204264699 /nfs/dbraw/zinc/26/46/99/204264699.db2.gz FXZAQMPZKKBNKW-UHFFFAOYSA-N 1 0 369.465 4.334 50 0 FIAARO Cc1ccc(NC(=O)CSc2nc3ccccc3c(=[NH2+])s2)cc1C ZINC000006862231 204276638 /nfs/dbraw/zinc/27/66/38/204276638.db2.gz GVPCKAWBLINJPR-UHFFFAOYSA-N 1 0 355.488 4.123 50 0 FIAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000006877602 204277924 /nfs/dbraw/zinc/27/79/24/204277924.db2.gz DXCPBVZEGMTNOK-UHFFFAOYSA-N 1 0 359.445 4.246 50 0 FIAARO C[NH+](C)[C@H](CNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000007637266 204301382 /nfs/dbraw/zinc/30/13/82/204301382.db2.gz MASGOVICBCENKJ-MRXNPFEDSA-N 1 0 351.878 4.068 50 0 FIAARO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2n1 ZINC000008011938 204315113 /nfs/dbraw/zinc/31/51/13/204315113.db2.gz KALHXFSBQFDZNP-UHFFFAOYSA-N 1 0 359.473 4.069 50 0 FIAARO Cc1c2cc(F)ccc2oc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012461 204315662 /nfs/dbraw/zinc/31/56/62/204315662.db2.gz AYRGCYDPZISOCM-UHFFFAOYSA-N 1 0 366.436 4.406 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000008351544 204328856 /nfs/dbraw/zinc/32/88/56/204328856.db2.gz FKVVMUZIFHEEOU-INIZCTEOSA-N 1 0 351.494 4.107 50 0 FIAARO C[NH+](C)CCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000008992170 204352275 /nfs/dbraw/zinc/35/22/75/204352275.db2.gz GQOQSKVBCPIAQL-UHFFFAOYSA-N 1 0 372.472 4.394 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)o1 ZINC000036097651 204361217 /nfs/dbraw/zinc/36/12/17/204361217.db2.gz NOHLZKRDZMBTRC-QFIPXVFZSA-N 1 0 365.473 4.168 50 0 FIAARO Cc1csc2nc(C[N@@H+](Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n12 ZINC000009386272 204366139 /nfs/dbraw/zinc/36/61/39/204366139.db2.gz WHPZDSVHUUOORR-UHFFFAOYSA-N 1 0 367.518 4.352 50 0 FIAARO C[NH+](C)CCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000009420948 204366908 /nfs/dbraw/zinc/36/69/08/204366908.db2.gz SLUBBRAFTWIRNV-UHFFFAOYSA-N 1 0 358.445 4.004 50 0 FIAARO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000008750051 204343758 /nfs/dbraw/zinc/34/37/58/204343758.db2.gz XEDDWPZLPDHQDO-ZDUSSCGKSA-N 1 0 361.283 4.002 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000009726768 204380957 /nfs/dbraw/zinc/38/09/57/204380957.db2.gz PMSARVFHIXNSMA-UHFFFAOYSA-N 1 0 354.519 4.116 50 0 FIAARO C[N@H+](CCCNC(=O)c1cc(F)c(Cl)cc1Cl)Cc1ccccc1 ZINC000009983078 204387805 /nfs/dbraw/zinc/38/78/05/204387805.db2.gz HJJWQLBGWHBVTA-UHFFFAOYSA-N 1 0 369.267 4.384 50 0 FIAARO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009992247 204388650 /nfs/dbraw/zinc/38/86/50/204388650.db2.gz CNLVOZDGUJBERE-MRXNPFEDSA-N 1 0 372.896 4.020 50 0 FIAARO Cn1cc(C[N@H+](C)[C@H]2CCOC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012054870 204427809 /nfs/dbraw/zinc/42/78/09/204427809.db2.gz NZWCMQMTDCWBSN-NRFANRHFSA-N 1 0 353.510 4.356 50 0 FIAARO CCC[NH+]1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 ZINC000012583383 204476889 /nfs/dbraw/zinc/47/68/89/204476889.db2.gz TYGDIAKVOUMXIN-UHFFFAOYSA-N 1 0 352.478 4.423 50 0 FIAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cc1CO ZINC000012589504 204479254 /nfs/dbraw/zinc/47/92/54/204479254.db2.gz WXJMOTGKHSOCOA-NRFANRHFSA-N 1 0 372.484 4.182 50 0 FIAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC000016624274 204639246 /nfs/dbraw/zinc/63/92/46/204639246.db2.gz JHEKWDJSGSSMCK-UHFFFAOYSA-N 1 0 367.493 4.037 50 0 FIAARO Brc1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019362920 204679805 /nfs/dbraw/zinc/67/98/05/204679805.db2.gz RLDGOSOUXQKESA-UHFFFAOYSA-N 1 0 373.338 4.200 50 0 FIAARO CN(Cc1nc(-c2cccs2)no1)CC1([NH+]2CCCCC2)CCCCC1 ZINC000020999168 204742842 /nfs/dbraw/zinc/74/28/42/204742842.db2.gz RJEJJHVVFHHVLE-UHFFFAOYSA-N 1 0 374.554 4.419 50 0 FIAARO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031279 205001851 /nfs/dbraw/zinc/00/18/51/205001851.db2.gz CNKFODOIXFOBPQ-KRWDZBQOSA-N 1 0 351.849 4.131 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036104412 205005676 /nfs/dbraw/zinc/00/56/76/205005676.db2.gz BLUVAJPTQVXHIG-HSZRJFAPSA-N 1 0 361.485 4.437 50 0 FIAARO CC(C)[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036103087 205006016 /nfs/dbraw/zinc/00/60/16/205006016.db2.gz TYQXULIVNTYACD-KRWDZBQOSA-N 1 0 351.849 4.129 50 0 FIAARO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCCC2)OCCO4)cc1 ZINC000036370369 205013313 /nfs/dbraw/zinc/01/33/13/205013313.db2.gz JHEXQHZIPFTBIA-UHFFFAOYSA-N 1 0 374.440 4.146 50 0 FIAARO Cc1nc(COc2ccc(C[NH2+]CC3(N(C)C)CCCCC3)cc2)cs1 ZINC000038320232 205040563 /nfs/dbraw/zinc/04/05/63/205040563.db2.gz SLNUGBKTFFFBGL-UHFFFAOYSA-N 1 0 373.566 4.385 50 0 FIAARO c1sc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2c1-c1ccccc1 ZINC000036389594 205014577 /nfs/dbraw/zinc/01/45/77/205014577.db2.gz SBUYOVDDXFAHBK-DLBZAZTESA-N 1 0 350.491 4.397 50 0 FIAARO C[NH+]1CCC(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 ZINC000036613782 205017585 /nfs/dbraw/zinc/01/75/85/205017585.db2.gz IFGQMWZZLJPIJA-UHFFFAOYSA-N 1 0 370.806 4.322 50 0 FIAARO Cc1c2c(nn1-c1ccccc1)c(SCC[NH+]1CCCCC1)nnc2C ZINC000036646290 205019851 /nfs/dbraw/zinc/01/98/51/205019851.db2.gz WJFVEVREBANPQB-UHFFFAOYSA-N 1 0 367.522 4.010 50 0 FIAARO COc1ccc(C[N@H+](C[C@H](O)c2ccccc2Cl)C2CC2)c(OC)c1 ZINC000040105717 205055576 /nfs/dbraw/zinc/05/55/76/205055576.db2.gz BTFNCFFZWYFVPD-IBGZPJMESA-N 1 0 361.869 4.055 50 0 FIAARO C[C@@H](Sc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042095799 205094771 /nfs/dbraw/zinc/09/47/71/205094771.db2.gz XBRPSIATCXYLQG-MRXNPFEDSA-N 1 0 372.509 4.087 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000044323115 205108146 /nfs/dbraw/zinc/10/81/46/205108146.db2.gz IGEXKWQAAFMENN-UHFFFAOYSA-N 1 0 359.514 4.250 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000045462375 205122487 /nfs/dbraw/zinc/12/24/87/205122487.db2.gz YEYUWVGLDXDVBT-MRXNPFEDSA-N 1 0 357.498 4.256 50 0 FIAARO O=c1c2cccc(Cl)c2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000043139775 205100554 /nfs/dbraw/zinc/10/05/54/205100554.db2.gz HRYQHFFUHQEMAM-MRXNPFEDSA-N 1 0 359.901 4.237 50 0 FIAARO CCCCOc1ccc(C[NH2+]Cc2c(C)nc3sc(C)cn23)cc1OC ZINC000048260458 205155294 /nfs/dbraw/zinc/15/52/94/205155294.db2.gz DKCNBCWZRLUNCQ-UHFFFAOYSA-N 1 0 373.522 4.490 50 0 FIAARO C[NH+](C)Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000048290104 205156619 /nfs/dbraw/zinc/15/66/19/205156619.db2.gz LJXUTPDTHZDQBJ-UHFFFAOYSA-N 1 0 355.438 4.263 50 0 FIAARO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000048324962 205158620 /nfs/dbraw/zinc/15/86/20/205158620.db2.gz GGZACVJIZAFUBH-NRFANRHFSA-N 1 0 366.505 4.144 50 0 FIAARO CSc1cccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)c1 ZINC000055371523 205217086 /nfs/dbraw/zinc/21/70/86/205217086.db2.gz FTAZDFLOWFKIGU-IBGZPJMESA-N 1 0 362.502 4.428 50 0 FIAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(Oc2ncccn2)cc1)C(C)C ZINC000055211343 205209785 /nfs/dbraw/zinc/20/97/85/205209785.db2.gz OGWZFJKIHXFMNX-UHFFFAOYSA-N 1 0 365.481 4.030 50 0 FIAARO COc1cccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3F)C2)c1 ZINC000055199801 205210518 /nfs/dbraw/zinc/21/05/18/205210518.db2.gz JNSWXBVZXPNJOB-HXUWFJFHSA-N 1 0 370.512 4.221 50 0 FIAARO CCOc1ccc(C[N@H+](Cc2ccccc2Cn2cccn2)C2CC2)cc1 ZINC000055227196 205211908 /nfs/dbraw/zinc/21/19/08/205211908.db2.gz DVTMFYMUANZRSP-UHFFFAOYSA-N 1 0 361.489 4.495 50 0 FIAARO C[C@H](C[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1)Oc1cccnc1 ZINC000055254353 205212514 /nfs/dbraw/zinc/21/25/14/205212514.db2.gz VIOOFPBKRRVNCS-QGZVFWFLSA-N 1 0 370.456 4.249 50 0 FIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)cc1 ZINC000055254113 205212780 /nfs/dbraw/zinc/21/27/80/205212780.db2.gz LNCUHASJIORRLX-MRXNPFEDSA-N 1 0 367.474 4.040 50 0 FIAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc([C@H]3CCCO3)s2)s1 ZINC000055405157 205218357 /nfs/dbraw/zinc/21/83/57/205218357.db2.gz MXLPSDRGAPDPEU-QGZVFWFLSA-N 1 0 351.537 4.354 50 0 FIAARO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000058167713 205254171 /nfs/dbraw/zinc/25/41/71/205254171.db2.gz AANHVDONNHAFFC-NSHDSACASA-N 1 0 356.775 4.476 50 0 FIAARO COc1ccccc1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058216197 205262624 /nfs/dbraw/zinc/26/26/24/205262624.db2.gz VVBUPLAXFSCWNP-UHFFFAOYSA-N 1 0 367.493 4.393 50 0 FIAARO C[C@H]1C[N@@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCN1C ZINC000063885120 205295455 /nfs/dbraw/zinc/29/54/55/205295455.db2.gz OHIQIOQWPFLBLS-SFHVURJKSA-N 1 0 367.512 4.097 50 0 FIAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc2ccccc2s1 ZINC000058954070 205279275 /nfs/dbraw/zinc/27/92/75/205279275.db2.gz SAJKZGKJMRMVEF-UHFFFAOYSA-N 1 0 352.503 4.148 50 0 FIAARO Fc1ccc2c(CC[NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)c[nH]c2c1 ZINC000065276132 205333273 /nfs/dbraw/zinc/33/32/73/205333273.db2.gz HYQZZYOFKWMTPW-UHFFFAOYSA-N 1 0 374.843 4.454 50 0 FIAARO Cc1cccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1 ZINC000064761106 205305175 /nfs/dbraw/zinc/30/51/75/205305175.db2.gz DQKZUYFXOFOQGZ-UHFFFAOYSA-N 1 0 373.460 4.158 50 0 FIAARO C[NH+]1CCC(O)(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1 ZINC000065492245 205355236 /nfs/dbraw/zinc/35/52/36/205355236.db2.gz VUEYEDHNQDZETK-UHFFFAOYSA-N 1 0 367.518 4.125 50 0 FIAARO COc1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)c(F)c1 ZINC000065499870 205356012 /nfs/dbraw/zinc/35/60/12/205356012.db2.gz RHZUOAHEEPABCO-SFHVURJKSA-N 1 0 363.436 4.281 50 0 FIAARO Cn1c2ccccc2nc1-c1c(-c2ccccc2)ncn1CCCCC[NH3+] ZINC000065529010 205359178 /nfs/dbraw/zinc/35/91/78/205359178.db2.gz UCCYCQBUWKZYNT-UHFFFAOYSA-N 1 0 359.477 4.233 50 0 FIAARO Cc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2CC[NH+](C)C)c1 ZINC000065376407 205341380 /nfs/dbraw/zinc/34/13/80/205341380.db2.gz NFJWCDFEBGRBFZ-UHFFFAOYSA-N 1 0 371.488 4.273 50 0 FIAARO O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000066945369 205367421 /nfs/dbraw/zinc/36/74/21/205367421.db2.gz NRSNCPLMVSMSCR-HNNXBMFYSA-N 1 0 358.869 4.300 50 0 FIAARO CCC[C@H](Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2)c1cccs1 ZINC000067513461 205373282 /nfs/dbraw/zinc/37/32/82/205373282.db2.gz ALUVOHNJBIACRJ-INIZCTEOSA-N 1 0 365.506 4.199 50 0 FIAARO COCc1nc2cc(-c3ccc([C@@H](C)[NH+]4CCOCC4)cc3)ccc2o1 ZINC000067689323 205384596 /nfs/dbraw/zinc/38/45/96/205384596.db2.gz KUKJNRMSPWZQSL-OAHLLOKOSA-N 1 0 352.434 4.034 50 0 FIAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccnc4c3cccc4C(F)(F)F)c2O1 ZINC000067725409 205387951 /nfs/dbraw/zinc/38/79/51/205387951.db2.gz OPSFFAUQGKJBKH-LBPRGKRZSA-N 1 0 362.326 4.322 50 0 FIAARO Cc1nc(-c2cccc(NC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)c2)cs1 ZINC000072144321 205480677 /nfs/dbraw/zinc/48/06/77/205480677.db2.gz WQADSWJXARUTBI-MRXNPFEDSA-N 1 0 363.486 4.448 50 0 FIAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000095525430 205782369 /nfs/dbraw/zinc/78/23/69/205782369.db2.gz YISPAHFYWRLFLA-LJQANCHMSA-N 1 0 368.908 4.434 50 0 FIAARO FC(F)(F)COc1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cn1 ZINC000095967301 205799558 /nfs/dbraw/zinc/79/95/58/205799558.db2.gz SLMQHIHLZCNEHV-MRXNPFEDSA-N 1 0 368.424 4.143 50 0 FIAARO C[C@H]([NH2+]C1(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002570 205892761 /nfs/dbraw/zinc/89/27/61/205892761.db2.gz ZXJCGYDYWHXRHF-BBTUJRGHSA-N 1 0 368.521 4.393 50 0 FIAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cnn(C)c2C2CC2)cc1 ZINC000102662231 205976818 /nfs/dbraw/zinc/97/68/18/205976818.db2.gz BSYYETZMSFWSKN-FNLKRUPLSA-N 1 0 351.494 4.217 50 0 FIAARO Cc1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(F)cc3s2)c(C)c1 ZINC000005115286 206188229 /nfs/dbraw/zinc/18/82/29/206188229.db2.gz HXPMWQMBSWQHGC-UHFFFAOYSA-N 1 0 371.481 4.261 50 0 FIAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2c(cccc2Cl)s1 ZINC000005121421 206190002 /nfs/dbraw/zinc/19/00/02/206190002.db2.gz SSCZWWAMUVUILS-UHFFFAOYSA-N 1 0 365.911 4.220 50 0 FIAARO Cc1ccc(Sc2ccc(NC(=S)NCC[NH+](C)C)cc2)cc1C ZINC000007561498 206210260 /nfs/dbraw/zinc/21/02/60/206210260.db2.gz WYGJASJECKFJSB-UHFFFAOYSA-N 1 0 359.564 4.303 50 0 FIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)/C=C/c1ccc(OC)c(F)c1 ZINC000007946534 206212228 /nfs/dbraw/zinc/21/22/28/206212228.db2.gz XAXSSWUYKCJDCD-ACCUITESSA-N 1 0 370.468 4.006 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000008862621 206219050 /nfs/dbraw/zinc/21/90/50/206219050.db2.gz BUBTWENTEQSRDV-FQEVSTJZSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1c(F)cccc1F ZINC000008863014 206219761 /nfs/dbraw/zinc/21/97/61/206219761.db2.gz SCMPRDBZWJYSRR-QGZVFWFLSA-N 1 0 364.461 4.373 50 0 FIAARO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3sccc3Cl)ccc2NC1=O ZINC000170615837 206275133 /nfs/dbraw/zinc/27/51/33/206275133.db2.gz WURZXPFKLMGXKZ-IINYFYTJSA-N 1 0 350.871 4.362 50 0 FIAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000012422055 206289886 /nfs/dbraw/zinc/28/98/86/206289886.db2.gz WDXBFLWWNCFYBQ-DLBGWFIVSA-N 1 0 351.575 4.194 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000012355612 206290969 /nfs/dbraw/zinc/29/09/69/206290969.db2.gz ZZXWULKBDOICDA-LJQANCHMSA-N 1 0 358.507 4.102 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000013011197 206299510 /nfs/dbraw/zinc/29/95/10/206299510.db2.gz XWOAPCFNZZPVKY-NRFANRHFSA-N 1 0 364.514 4.377 50 0 FIAARO CC(C)c1noc(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)CC2)n1 ZINC000215069732 206344518 /nfs/dbraw/zinc/34/45/18/206344518.db2.gz PNCSLZWYPHNRNV-UHFFFAOYSA-N 1 0 357.483 4.024 50 0 FIAARO C[N@H+](CCn1ccnc1)Cc1ccccc1OCc1c(F)cccc1Cl ZINC000215364460 206346038 /nfs/dbraw/zinc/34/60/38/206346038.db2.gz FAEDWQVNNKYHGS-UHFFFAOYSA-N 1 0 373.859 4.387 50 0 FIAARO CCCn1ccnc1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000215572102 206347006 /nfs/dbraw/zinc/34/70/06/206347006.db2.gz HLEHGTSNGJOKGH-QHCPKHFHSA-N 1 0 366.553 4.171 50 0 FIAARO c1ccc2nc(C[N@@H+]3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)ccc2c1 ZINC000215787830 206352743 /nfs/dbraw/zinc/35/27/43/206352743.db2.gz HIJRQRFKNGAMSX-GOSISDBHSA-N 1 0 371.444 4.059 50 0 FIAARO Fc1ccc(OC2CC[NH+](C[C@@]3(c4ccccc4)CCOC3)CC2)cc1 ZINC000216393399 206358654 /nfs/dbraw/zinc/35/86/54/206358654.db2.gz RESQZUIOOBTACC-QFIPXVFZSA-N 1 0 355.453 4.027 50 0 FIAARO Brc1ccccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000055291913 206366369 /nfs/dbraw/zinc/36/63/69/206366369.db2.gz UBYFHRXONWNGJQ-UHFFFAOYSA-N 1 0 373.338 4.246 50 0 FIAARO COc1cccc(-c2ccccc2NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252481159 206573175 /nfs/dbraw/zinc/57/31/75/206573175.db2.gz CICFAMRYMHUBAA-SFHVURJKSA-N 1 0 365.477 4.064 50 0 FIAARO C[C@H](c1ccc(-c2ccc(N3CCSCC3)nn2)cc1)[NH+]1CCCCC1 ZINC000097575129 132229754 /nfs/dbraw/zinc/22/97/54/132229754.db2.gz CCRQMMPEUQLACH-QGZVFWFLSA-N 1 0 368.550 4.244 50 0 FIAARO c1cc(SC2CCCCC2)oc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000215184081 132269651 /nfs/dbraw/zinc/26/96/51/132269651.db2.gz ZIVGXFMCYFDWOH-UHFFFAOYSA-N 1 0 357.523 4.422 50 0 FIAARO COc1ccccc1N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000055506921 136126808 /nfs/dbraw/zinc/12/68/08/136126808.db2.gz SOKALMOXSDWMOC-UHFFFAOYSA-N 1 0 362.473 4.049 50 0 FIAARO COC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000063847973 136132979 /nfs/dbraw/zinc/13/29/79/136132979.db2.gz ILYQILZXABAJAH-YLJYHZDGSA-N 1 0 371.550 4.184 50 0 FIAARO Cc1nc(C[NH2+]C2CCN(c3cccc(-c4cnco4)c3)CC2)sc1C ZINC000023192858 136152546 /nfs/dbraw/zinc/15/25/46/136152546.db2.gz XHJYUJTXQJJZIK-UHFFFAOYSA-N 1 0 368.506 4.174 50 0 FIAARO COc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)ccc1OCc1ccccc1 ZINC000104835923 222360533 /nfs/dbraw/zinc/36/05/33/222360533.db2.gz ANQFWUAQTULTRG-WTIAFYNJSA-N 1 0 367.489 4.230 50 0 FIAARO C[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 ZINC000426435472 263591249 /nfs/dbraw/zinc/59/12/49/263591249.db2.gz ZBMMTCDZTVVMIZ-HNNXBMFYSA-N 1 0 374.431 4.121 50 0 FIAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000020573265 521790010 /nfs/dbraw/zinc/79/00/10/521790010.db2.gz OMVACMSEFZLKAW-HKUYNNGSSA-N 1 0 366.977 4.245 50 0 FIAARO C[N@H+](Cc1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1)Cc1ccccn1 ZINC000020909308 523196987 /nfs/dbraw/zinc/19/69/87/523196987.db2.gz SZAAZDHTNPAADB-UHFFFAOYSA-N 1 0 374.488 4.122 50 0 FIAARO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000020603341 524559030 /nfs/dbraw/zinc/55/90/30/524559030.db2.gz ZPWBQHVBLOXDJF-LJQANCHMSA-N 1 0 368.525 4.322 50 0 FIAARO C[C@H](c1nccs1)n1cc(-c2cc(C[NH+]3CCCCC3)cs2)nn1 ZINC000091444645 526187830 /nfs/dbraw/zinc/18/78/30/526187830.db2.gz VWSSZTWVUJEPFZ-CYBMUJFWSA-N 1 0 359.524 4.058 50 0 FIAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000020997869 526751636 /nfs/dbraw/zinc/75/16/36/526751636.db2.gz MPAODTTVIMGIJW-KRWDZBQOSA-N 1 0 356.495 4.353 50 0 FIAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)c1 ZINC000020477279 526952857 /nfs/dbraw/zinc/95/28/57/526952857.db2.gz XHCRLPYPMQFBGA-KRWDZBQOSA-N 1 0 351.277 4.437 50 0 FIAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3F)C2)cc1 ZINC000091621098 527632855 /nfs/dbraw/zinc/63/28/55/527632855.db2.gz GFYVBFJQGCHWCK-MRXNPFEDSA-N 1 0 367.386 4.401 50 0 FIAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000012284627 568028400 /nfs/dbraw/zinc/02/84/00/568028400.db2.gz YVMIJUWWUWVEJX-INIZCTEOSA-N 1 0 373.294 4.300 50 0 FIAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000000719331 568130773 /nfs/dbraw/zinc/13/07/73/568130773.db2.gz SEOVLQZYRHFENU-UHFFFAOYSA-N 1 0 358.898 4.154 50 0 FIAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000000785856 568225064 /nfs/dbraw/zinc/22/50/64/568225064.db2.gz HZMVZJAKGVSLTF-UHFFFAOYSA-N 1 0 356.897 4.211 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000043879343 570448377 /nfs/dbraw/zinc/44/83/77/570448377.db2.gz GCVVYMBOVVSPKS-GFCCVEGCSA-N 1 0 373.400 4.071 50 0 FIAARO Fc1cccc([C@@H]2C[N@H+](Cc3cccs3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095381380 570458833 /nfs/dbraw/zinc/45/88/33/570458833.db2.gz JAQLZYUAIYHKIP-PWIZWCRZSA-N 1 0 360.473 4.089 50 0 FIAARO CCCCc1nc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)c[nH]1 ZINC000095517072 570466440 /nfs/dbraw/zinc/46/64/40/570466440.db2.gz IDHUIVJDSRWMFA-FQEVSTJZSA-N 1 0 366.553 4.206 50 0 FIAARO O=C(Nc1ccc2[nH]ccc2c1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000095519050 570467010 /nfs/dbraw/zinc/46/70/10/570467010.db2.gz QAGPRUNNLUHTAU-MRXNPFEDSA-N 1 0 354.479 4.016 50 0 FIAARO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000247795854 570487998 /nfs/dbraw/zinc/48/79/98/570487998.db2.gz RDKZWLSCMXBVOZ-QUCCMNQESA-N 1 0 353.487 4.478 50 0 FIAARO Fc1ccc(N2CCC[N@H+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)cc1 ZINC000097757791 570493618 /nfs/dbraw/zinc/49/36/18/570493618.db2.gz RHRZVERIJCNUNI-FQEVSTJZSA-N 1 0 358.457 4.373 50 0 FIAARO COc1ccc(-c2ncc(CN3CCC[C@@H]3c3c(C)noc3C)cn2)cc1 ZINC000097784864 570494495 /nfs/dbraw/zinc/49/44/95/570494495.db2.gz AESBGVMTIGAFFN-LJQANCHMSA-N 1 0 364.449 4.094 50 0 FIAARO CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739894 570550765 /nfs/dbraw/zinc/55/07/65/570550765.db2.gz ATMUTJWWIXXRMM-UYAOXDASSA-N 1 0 356.897 4.429 50 0 FIAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 ZINC000426435473 570605550 /nfs/dbraw/zinc/60/55/50/570605550.db2.gz ZBMMTCDZTVVMIZ-OAHLLOKOSA-N 1 0 374.431 4.121 50 0 FIAARO C[NH+](C)CCN(C(=O)c1ccc(-c2ccc(O)cc2)cc1)C1CCCCC1 ZINC000426522862 570614433 /nfs/dbraw/zinc/61/44/33/570614433.db2.gz JFYRSODUIWKXBA-UHFFFAOYSA-N 1 0 366.505 4.396 50 0 FIAARO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccc(Br)cc21 ZINC000095635387 570643139 /nfs/dbraw/zinc/64/31/39/570643139.db2.gz YAMWPHXTYUYVHC-UHFFFAOYSA-N 1 0 372.262 4.111 50 0 FIAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000011764010 570706129 /nfs/dbraw/zinc/70/61/29/570706129.db2.gz KZTKXZIOLSXXMP-FQEVSTJZSA-N 1 0 365.851 4.435 50 0 FIAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1 ZINC000011767033 570706601 /nfs/dbraw/zinc/70/66/01/570706601.db2.gz ZOQHGYHJXNDMQM-UHFFFAOYSA-N 1 0 372.538 4.219 50 0 FIAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CCCC(F)(F)F)CC1 ZINC000011813128 570707094 /nfs/dbraw/zinc/70/70/94/570707094.db2.gz GYGHUMJJOHDOCJ-UHFFFAOYSA-N 1 0 368.399 4.054 50 0 FIAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011838587 570708599 /nfs/dbraw/zinc/70/85/99/570708599.db2.gz HALVQOFPWPEKOU-GOSISDBHSA-N 1 0 358.501 4.039 50 0 FIAARO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3cccc(C)n3)CC2)c1 ZINC000011821552 570708879 /nfs/dbraw/zinc/70/88/79/570708879.db2.gz KYIMFULUWJNCEW-UHFFFAOYSA-N 1 0 351.494 4.329 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000011880204 570711314 /nfs/dbraw/zinc/71/13/14/570711314.db2.gz OGVGTBPELQJOMF-HXUWFJFHSA-N 1 0 352.453 4.375 50 0 FIAARO CC(C)CC[N@@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000011880497 570711355 /nfs/dbraw/zinc/71/13/55/570711355.db2.gz JSTCJTGXIXBIKP-HSZRJFAPSA-N 1 0 369.505 4.214 50 0 FIAARO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1C(F)(F)F ZINC000012038426 570715018 /nfs/dbraw/zinc/71/50/18/570715018.db2.gz CMOMIMDXAKZDTH-MRXNPFEDSA-N 1 0 366.427 4.096 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1OC ZINC000012303799 570734230 /nfs/dbraw/zinc/73/42/30/570734230.db2.gz HYXZSTRIWYKBJI-QGZVFWFLSA-N 1 0 373.880 4.452 50 0 FIAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](CC4CC4)C3)cc2)c1 ZINC000012432938 570744855 /nfs/dbraw/zinc/74/48/55/570744855.db2.gz BCGMXGWYIOWMRK-FQEVSTJZSA-N 1 0 364.489 4.423 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2F)C1 ZINC000012443703 570745985 /nfs/dbraw/zinc/74/59/85/570745985.db2.gz JPUVWKDUQKGFAW-IBGZPJMESA-N 1 0 368.496 4.161 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCn3cccn3)c(-c3ccccc3)n2)c1 ZINC000012457559 570747035 /nfs/dbraw/zinc/74/70/35/570747035.db2.gz AFWJLNSKFQNDPG-UHFFFAOYSA-N 1 0 371.488 4.142 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012471537 570748638 /nfs/dbraw/zinc/74/86/38/570748638.db2.gz GBGMNMBOLRAOHY-UHFFFAOYSA-N 1 0 363.501 4.042 50 0 FIAARO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)o1 ZINC000012480941 570748686 /nfs/dbraw/zinc/74/86/86/570748686.db2.gz FTWTVHXTNSSLRC-IBGZPJMESA-N 1 0 372.484 4.062 50 0 FIAARO Cc1ccc(-n2cc(C[NH2+]C[C@H]3CCCO3)c(-c3cccc(C)c3)n2)cc1 ZINC000012582437 570751505 /nfs/dbraw/zinc/75/15/05/570751505.db2.gz FLYREOXNZGXEQF-JOCHJYFZSA-N 1 0 361.489 4.425 50 0 FIAARO O=C(C1=CCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000012715119 570757702 /nfs/dbraw/zinc/75/77/02/570757702.db2.gz QDNDPWNXVRHQLE-JOCHJYFZSA-N 1 0 356.485 4.141 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc2c1CCCC2 ZINC000012820940 570764850 /nfs/dbraw/zinc/76/48/50/570764850.db2.gz NSUFNXPTMAHULR-UHFFFAOYSA-N 1 0 354.519 4.021 50 0 FIAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 ZINC000012994138 570771344 /nfs/dbraw/zinc/77/13/44/570771344.db2.gz ASXRPZQTFQEJNO-JOCHJYFZSA-N 1 0 362.477 4.106 50 0 FIAARO Cc1nc(-c2ccccc2)nc(SCC[NH+]2CCCCC2)c1[C@H](C)O ZINC000013627687 570781241 /nfs/dbraw/zinc/78/12/41/570781241.db2.gz RYISELPWWYFGEK-INIZCTEOSA-N 1 0 357.523 4.083 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032732197 570790669 /nfs/dbraw/zinc/79/06/69/570790669.db2.gz UMCMYPJKIQWFMS-HSZRJFAPSA-N 1 0 358.485 4.336 50 0 FIAARO CCc1ccc([C@@H](CNC(=O)c2oc3c(cccc3F)c2C)[NH+](C)C)cc1 ZINC000032733745 570790697 /nfs/dbraw/zinc/79/06/97/570790697.db2.gz ZLXMQLZRLTUAKM-LJQANCHMSA-N 1 0 368.452 4.475 50 0 FIAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032751127 570791500 /nfs/dbraw/zinc/79/15/00/570791500.db2.gz LJICEEKUANFLPZ-GMAHTHKFSA-N 1 0 369.480 4.245 50 0 FIAARO Fc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000014169271 570809854 /nfs/dbraw/zinc/80/98/54/570809854.db2.gz UPEKWOBKACKKNY-UHFFFAOYSA-N 1 0 358.420 4.363 50 0 FIAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000018180459 570813879 /nfs/dbraw/zinc/81/38/79/570813879.db2.gz QABBWCBZTLWYKF-OAHLLOKOSA-N 1 0 364.276 4.389 50 0 FIAARO Fc1ccc(-c2csc3ncnc(N4CC[N@@H+]5CCCC[C@@H]5C4)c23)cc1 ZINC000032823951 570816096 /nfs/dbraw/zinc/81/60/96/570816096.db2.gz AHCWRVJCYXMWDS-MRXNPFEDSA-N 1 0 368.481 4.172 50 0 FIAARO COC(=O)c1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000032836189 570819124 /nfs/dbraw/zinc/81/91/24/570819124.db2.gz OKKCZWHXKXDGBD-UHFFFAOYSA-N 1 0 367.445 4.147 50 0 FIAARO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)c2)c1 ZINC000014957143 570826905 /nfs/dbraw/zinc/82/69/05/570826905.db2.gz AXTYKRPNWRHMLJ-JOCHJYFZSA-N 1 0 364.489 4.244 50 0 FIAARO C/C=C(\C)C(=O)N(CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000015063877 570830496 /nfs/dbraw/zinc/83/04/96/570830496.db2.gz UYJMUSLSMRLHQJ-KPSZGOFPSA-N 1 0 372.553 4.358 50 0 FIAARO COCc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)o1 ZINC000015062400 570830528 /nfs/dbraw/zinc/83/05/28/570830528.db2.gz ZQVBKSYCZAGCNR-UHFFFAOYSA-N 1 0 357.494 4.023 50 0 FIAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015539455 570839833 /nfs/dbraw/zinc/83/98/33/570839833.db2.gz NPFQITMNVNKDMI-XMMPIXPASA-N 1 0 370.496 4.287 50 0 FIAARO Cc1nc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000032903733 570842260 /nfs/dbraw/zinc/84/22/60/570842260.db2.gz CEZNTBFOYXVTEZ-HNNXBMFYSA-N 1 0 363.552 4.024 50 0 FIAARO COC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000015961723 570848477 /nfs/dbraw/zinc/84/84/77/570848477.db2.gz HBQRBJVGEOQLEF-FQEVSTJZSA-N 1 0 365.477 4.239 50 0 FIAARO Cc1[nH]c2c(cccc2C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000024556039 570854507 /nfs/dbraw/zinc/85/45/07/570854507.db2.gz CISIHSWHAQLLCK-OAQYLSRUSA-N 1 0 361.489 4.352 50 0 FIAARO CCOc1cccc(C[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000071947028 570878014 /nfs/dbraw/zinc/87/80/14/570878014.db2.gz BXGPSOXYWYFOGW-JOCHJYFZSA-N 1 0 354.494 4.021 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019636367 570896405 /nfs/dbraw/zinc/89/64/05/570896405.db2.gz JRWLBPIYMWNGQH-VHTFYLNKSA-N 1 0 364.533 4.347 50 0 FIAARO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 ZINC000020100376 570909988 /nfs/dbraw/zinc/90/99/88/570909988.db2.gz WBSGWIDVFZFIQT-UHFFFAOYSA-N 1 0 368.908 4.137 50 0 FIAARO COc1ccc2oc(=O)cc(C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000020352987 570914521 /nfs/dbraw/zinc/91/45/21/570914521.db2.gz QGUUDKAYNFXPIS-UHFFFAOYSA-N 1 0 363.457 4.256 50 0 FIAARO CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000022619164 570947603 /nfs/dbraw/zinc/94/76/03/570947603.db2.gz NIJJTCJVWBEVMY-FGZHOGPDSA-N 1 0 366.505 4.142 50 0 FIAARO c1ccc2oc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)nc2c1 ZINC000022785783 570950234 /nfs/dbraw/zinc/95/02/34/570950234.db2.gz JDCNBPAVPVIWEP-UHFFFAOYSA-N 1 0 357.457 4.299 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000022929094 570953306 /nfs/dbraw/zinc/95/33/06/570953306.db2.gz MYJIJJSZGSSCMX-IBGZPJMESA-N 1 0 358.913 4.185 50 0 FIAARO CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC)c1ccccc1 ZINC000023182560 570958367 /nfs/dbraw/zinc/95/83/67/570958367.db2.gz XPRRJJDXSXLYTE-VXKWHMMOSA-N 1 0 368.521 4.388 50 0 FIAARO CCc1cc(=O)[nH]c(-c2ccc(C[N@H+](Cc3ccsc3)C3CC3)cc2)n1 ZINC000023505777 570964345 /nfs/dbraw/zinc/96/43/45/570964345.db2.gz WIAZDTSQHJWZDD-UHFFFAOYSA-N 1 0 365.502 4.225 50 0 FIAARO CC[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccc(C)cc1 ZINC000023763207 570967703 /nfs/dbraw/zinc/96/77/03/570967703.db2.gz STCGGHNTPYZZOW-MRXNPFEDSA-N 1 0 367.518 4.413 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000024757770 570981302 /nfs/dbraw/zinc/98/13/02/570981302.db2.gz JZTHDLIFBQZNPF-CXAGYDPISA-N 1 0 358.869 4.261 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025252373 570992738 /nfs/dbraw/zinc/99/27/38/570992738.db2.gz ARMZZMRBMSNERX-MAUKXSAKSA-N 1 0 374.937 4.211 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331364 570994467 /nfs/dbraw/zinc/99/44/67/570994467.db2.gz RMADLLHHSAQSQX-BLLLJJGKSA-N 1 0 368.955 4.301 50 0 FIAARO O=c1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2ccccn12 ZINC000026867055 571008333 /nfs/dbraw/zinc/00/83/33/571008333.db2.gz ILKAMPFQCBQMAA-UHFFFAOYSA-N 1 0 365.452 4.169 50 0 FIAARO Cc1cc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc(C)c1Cl ZINC000027581384 571013883 /nfs/dbraw/zinc/01/38/83/571013883.db2.gz ZZGRLJFRRHYJOM-MRXNPFEDSA-N 1 0 366.933 4.105 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1C ZINC000027664233 571018202 /nfs/dbraw/zinc/01/82/02/571018202.db2.gz ARXCUYVAEZHGGX-LJQANCHMSA-N 1 0 372.534 4.087 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCCC2)cc1 ZINC000027793230 571021047 /nfs/dbraw/zinc/02/10/47/571021047.db2.gz BCLDRCXKVCLZJW-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289289 571029701 /nfs/dbraw/zinc/02/97/01/571029701.db2.gz RSDLSTZTZHZNLZ-HXUWFJFHSA-N 1 0 368.521 4.416 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)cc1 ZINC000028291902 571030348 /nfs/dbraw/zinc/03/03/48/571030348.db2.gz QLMCLUIXUUAHKS-NRFANRHFSA-N 1 0 354.494 4.288 50 0 FIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000028925136 571035593 /nfs/dbraw/zinc/03/55/93/571035593.db2.gz YDKJNOAACQZTOK-ZDUSSCGKSA-N 1 0 374.868 4.311 50 0 FIAARO CCN(CC)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029482555 571040235 /nfs/dbraw/zinc/04/02/35/571040235.db2.gz RNJGSDJNVDGACI-NRFANRHFSA-N 1 0 351.494 4.091 50 0 FIAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000028925753 571043556 /nfs/dbraw/zinc/04/35/56/571043556.db2.gz ZBEIIRSKZMWFGQ-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO O[C@@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 ZINC000001294396 571047985 /nfs/dbraw/zinc/04/79/85/571047985.db2.gz XFLFINVBZKJRQD-HXUWFJFHSA-N 1 0 372.275 4.146 50 0 FIAARO O=C(Nc1ccc(F)cc1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000033115217 571062539 /nfs/dbraw/zinc/06/25/39/571062539.db2.gz GPNOTBIICLTECA-UHFFFAOYSA-N 1 0 359.470 4.051 50 0 FIAARO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc2[nH]ccc21 ZINC000072310061 571070957 /nfs/dbraw/zinc/07/09/57/571070957.db2.gz DHPAOKANTDPBBU-HXUWFJFHSA-N 1 0 367.880 4.388 50 0 FIAARO Cc1ccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000022309702 571071490 /nfs/dbraw/zinc/07/14/90/571071490.db2.gz VXYRBOXQVGCESX-UHFFFAOYSA-N 1 0 352.522 4.280 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000032970902 571077675 /nfs/dbraw/zinc/07/76/75/571077675.db2.gz JSBYCXWWGIDRGW-SFHVURJKSA-N 1 0 368.502 4.360 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000040120491 571080631 /nfs/dbraw/zinc/08/06/31/571080631.db2.gz CKFHTRNHNHLVIV-CQSZACIVSA-N 1 0 355.429 4.064 50 0 FIAARO O=C1OCCN1CCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000084341443 571082930 /nfs/dbraw/zinc/08/29/30/571082930.db2.gz PTTZGFYEISZMPO-UHFFFAOYSA-N 1 0 369.292 4.315 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000040157191 571088214 /nfs/dbraw/zinc/08/82/14/571088214.db2.gz VCEYGQJBHBYKPN-UWVGGRQHSA-N 1 0 356.289 4.039 50 0 FIAARO O=C(c1cccc(Cl)c1Cl)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000084539303 571088272 /nfs/dbraw/zinc/08/82/72/571088272.db2.gz WDTLKLSGRLBWPC-OAHLLOKOSA-N 1 0 363.288 4.388 50 0 FIAARO Cc1ccc(CN2CC[C@H]([N@@H+](C)[C@H](C)c3nccs3)CCC2=O)cc1 ZINC000244723668 571089452 /nfs/dbraw/zinc/08/94/52/571089452.db2.gz MFISSJLLMSGSHD-SJLPKXTDSA-N 1 0 357.523 4.026 50 0 FIAARO C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2F)c2ccccc2S1 ZINC000069194108 571091590 /nfs/dbraw/zinc/09/15/90/571091590.db2.gz IEUFKIYSTOLGNU-HNNXBMFYSA-N 1 0 358.482 4.175 50 0 FIAARO CC(C)[C@H]1C[C@@](CC[NH2+]C2CCN(C)CC2)(Cc2ccccc2)CCO1 ZINC000009047115 571093384 /nfs/dbraw/zinc/09/33/84/571093384.db2.gz FVOUTONKTROUNU-DHIUTWEWSA-N 1 0 358.570 4.124 50 0 FIAARO CC(C)(CNC(=O)c1cccc2c3c([nH]c21)CCCC3)[NH+]1CCCCC1 ZINC000069568932 571099303 /nfs/dbraw/zinc/09/93/03/571099303.db2.gz UVQKZFIVHHEUHL-UHFFFAOYSA-N 1 0 353.510 4.041 50 0 FIAARO c1cc(-c2ccc(C[N@H+](Cc3ccsc3)C[C@@H]3CCCO3)s2)n[nH]1 ZINC000055154115 571117060 /nfs/dbraw/zinc/11/70/60/571117060.db2.gz CCGALSLWGQYSPK-HNNXBMFYSA-N 1 0 359.520 4.381 50 0 FIAARO O=C(CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)Nc1nnc(C2CC2)s1 ZINC000244795905 571117395 /nfs/dbraw/zinc/11/73/95/571117395.db2.gz RPOKGEUKBSARGC-MRXNPFEDSA-N 1 0 374.485 4.110 50 0 FIAARO Cc1cc(NC(=O)C[N@H+](CCC2=CCCCC2)Cc2ccccc2)no1 ZINC000244811712 571117950 /nfs/dbraw/zinc/11/79/50/571117950.db2.gz SJTAVPZVVVQDSA-UHFFFAOYSA-N 1 0 353.466 4.314 50 0 FIAARO c1ncn(Cc2ccccc2)c1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000244899533 571119840 /nfs/dbraw/zinc/11/98/40/571119840.db2.gz ZLFDTWXWILWWAJ-JOCHJYFZSA-N 1 0 360.505 4.314 50 0 FIAARO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)nc2ccccc12 ZINC000071808721 571126099 /nfs/dbraw/zinc/12/60/99/571126099.db2.gz FNHVYVMBVJKBOF-OAHLLOKOSA-N 1 0 354.885 4.310 50 0 FIAARO C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 ZINC000012849173 571128388 /nfs/dbraw/zinc/12/83/88/571128388.db2.gz AYQJPZAERJSSBD-GFCCVEGCSA-N 1 0 372.469 4.248 50 0 FIAARO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862348 571138825 /nfs/dbraw/zinc/13/88/25/571138825.db2.gz XOWFBAOVMZTNHW-UHFFFAOYSA-N 1 0 350.462 4.176 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071497608 571162606 /nfs/dbraw/zinc/16/26/06/571162606.db2.gz HFBZNQPROSCARY-MRXNPFEDSA-N 1 0 374.479 4.422 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071753733 571165265 /nfs/dbraw/zinc/16/52/65/571165265.db2.gz ZEYWVQKRNYULDI-OAHLLOKOSA-N 1 0 360.452 4.031 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071768095 571166320 /nfs/dbraw/zinc/16/63/20/571166320.db2.gz MTEIXBVYMCPPGF-GOSISDBHSA-N 1 0 356.489 4.281 50 0 FIAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072138748 571171702 /nfs/dbraw/zinc/17/17/02/571171702.db2.gz JMCPUQDVPWIPID-KRWDZBQOSA-N 1 0 370.459 4.265 50 0 FIAARO C=Cc1cccc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072147844 571173761 /nfs/dbraw/zinc/17/37/61/571173761.db2.gz VSESFEVRRGMQOZ-RBZQAINGSA-N 1 0 360.501 4.097 50 0 FIAARO CC(C)Cn1cncc1C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072148712 571174135 /nfs/dbraw/zinc/17/41/35/571174135.db2.gz OBICVWSHOOMTTR-RJGXRXQPSA-N 1 0 367.537 4.191 50 0 FIAARO COc1cccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000072158940 571175294 /nfs/dbraw/zinc/17/52/94/571175294.db2.gz OTQOEZXCCXWXTP-UHFFFAOYSA-N 1 0 365.395 4.198 50 0 FIAARO COc1ccnc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)c1OC ZINC000072160960 571175850 /nfs/dbraw/zinc/17/58/50/571175850.db2.gz WEIPOJQCTJSHQY-MRXNPFEDSA-N 1 0 358.457 4.083 50 0 FIAARO Cc1ccc(CN2CC[C@@H]([N@@H+](C)[C@@H](C)c3nccs3)CCC2=O)cc1 ZINC000019143316 571183615 /nfs/dbraw/zinc/18/36/15/571183615.db2.gz MFISSJLLMSGSHD-WMZOPIPTSA-N 1 0 357.523 4.026 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000013014059 571189431 /nfs/dbraw/zinc/18/94/31/571189431.db2.gz CAPBXTVLDUJZJB-SFHVURJKSA-N 1 0 355.507 4.076 50 0 FIAARO Cc1cc(C)nc(-c2cccc(C(=O)NCCC[N@@H+](C)C3CCCC3)c2)c1 ZINC000299755218 571191909 /nfs/dbraw/zinc/19/19/09/571191909.db2.gz BMCMAHFECJETLZ-UHFFFAOYSA-N 1 0 365.521 4.360 50 0 FIAARO O=C(c1cccc(-c2ccccc2)c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000299762457 571193727 /nfs/dbraw/zinc/19/37/27/571193727.db2.gz WVLRHFWXWMRVOM-UHFFFAOYSA-N 1 0 366.530 4.007 50 0 FIAARO CCCCc1ncc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000072432805 571196059 /nfs/dbraw/zinc/19/60/59/571196059.db2.gz BYEAFWBFBZNCFD-QNWVGRARSA-N 1 0 367.537 4.405 50 0 FIAARO CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000072437163 571196464 /nfs/dbraw/zinc/19/64/64/571196464.db2.gz WEYKPLAJWPOUFE-JOCHJYFZSA-N 1 0 350.506 4.412 50 0 FIAARO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072441723 571197023 /nfs/dbraw/zinc/19/70/23/571197023.db2.gz IJKJHJMECRKMRV-SFHVURJKSA-N 1 0 366.505 4.093 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccncc1Cl ZINC000299779853 571197587 /nfs/dbraw/zinc/19/75/87/571197587.db2.gz IUXWIQMFSCFAIV-IBGZPJMESA-N 1 0 357.885 4.082 50 0 FIAARO CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000299782818 571198496 /nfs/dbraw/zinc/19/84/96/571198496.db2.gz XVBUBERGNSETDM-IBGZPJMESA-N 1 0 354.469 4.295 50 0 FIAARO c1ccc(CC2CC[NH+](Cc3ccc(OC4CC[NH2+]CC4)cc3)CC2)cc1 ZINC000299783362 571198699 /nfs/dbraw/zinc/19/86/99/571198699.db2.gz ZVVDSUCFVHSQFY-UHFFFAOYSA-N 1 0 364.533 4.272 50 0 FIAARO COCCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(OC(F)F)c2)s1 ZINC000097102335 571204277 /nfs/dbraw/zinc/20/42/77/571204277.db2.gz AWNHEXZSJFFTTL-CYBMUJFWSA-N 1 0 370.465 4.435 50 0 FIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000077337231 571207884 /nfs/dbraw/zinc/20/78/84/571207884.db2.gz QJEQUIXBQYFIDQ-INIZCTEOSA-N 1 0 357.461 4.194 50 0 FIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358680 571208956 /nfs/dbraw/zinc/20/89/56/571208956.db2.gz LARIGEMJAINYHX-OAQYLSRUSA-N 1 0 367.541 4.474 50 0 FIAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cnc(CC4CCCC4)[nH]3)C2)c1 ZINC000077378233 571209380 /nfs/dbraw/zinc/20/93/80/571209380.db2.gz QDEHGGUWUZQFHB-QGZVFWFLSA-N 1 0 369.509 4.149 50 0 FIAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cnc(CC4CCCC4)[nH]3)C2)c1 ZINC000077378236 571209403 /nfs/dbraw/zinc/20/94/03/571209403.db2.gz QDEHGGUWUZQFHB-KRWDZBQOSA-N 1 0 369.509 4.149 50 0 FIAARO CCc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000077388440 571209914 /nfs/dbraw/zinc/20/99/14/571209914.db2.gz YPHJEGWIJPTTQE-GOSISDBHSA-N 1 0 371.550 4.443 50 0 FIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407856 571210441 /nfs/dbraw/zinc/21/04/41/571210441.db2.gz ZOTBVPUHSZHSFG-HXUWFJFHSA-N 1 0 367.472 4.166 50 0 FIAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CN1C1CC1 ZINC000077423709 571211147 /nfs/dbraw/zinc/21/11/47/571211147.db2.gz NIFVQJKLJJRSNA-LJQANCHMSA-N 1 0 366.427 4.072 50 0 FIAARO C[N@H+](Cc1csc(-c2cccs2)n1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077487907 571213334 /nfs/dbraw/zinc/21/33/34/571213334.db2.gz RLBAMUGUWACSTJ-HNNXBMFYSA-N 1 0 364.536 4.032 50 0 FIAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000077506034 571214419 /nfs/dbraw/zinc/21/44/19/571214419.db2.gz VMEVWKVACZYXPF-MRXNPFEDSA-N 1 0 356.495 4.353 50 0 FIAARO COc1cc(CN(C)Cc2ncc(C(C)(C)C)o2)ccc1OC(F)F ZINC000072277278 571227120 /nfs/dbraw/zinc/22/71/20/571227120.db2.gz PZJLXMIOSRQOCT-UHFFFAOYSA-N 1 0 354.397 4.214 50 0 FIAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)NCCC2=CCCCC2)cc1 ZINC000426674245 571234863 /nfs/dbraw/zinc/23/48/63/571234863.db2.gz PSUUUJFPRFECFJ-NRFANRHFSA-N 1 0 355.526 4.485 50 0 FIAARO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000426723808 571236631 /nfs/dbraw/zinc/23/66/31/571236631.db2.gz AOWABAYANIOFKX-CQSZACIVSA-N 1 0 360.860 4.218 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169681884 571247168 /nfs/dbraw/zinc/24/71/68/571247168.db2.gz BMEANQPHAINZRF-UYAOXDASSA-N 1 0 357.494 4.044 50 0 FIAARO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000006906406 571254110 /nfs/dbraw/zinc/25/41/10/571254110.db2.gz VXELRUINNCYPHF-NRFANRHFSA-N 1 0 371.521 4.002 50 0 FIAARO c1ccc2c(c1)cccc2C[NH+]1CCN(Cc2nc3cccnc3s2)CC1 ZINC000089873233 571273854 /nfs/dbraw/zinc/27/38/54/571273854.db2.gz VAPOCWFNXYKIOW-UHFFFAOYSA-N 1 0 374.513 4.162 50 0 FIAARO O=C(Nc1ccccn1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000076092053 571274403 /nfs/dbraw/zinc/27/44/03/571274403.db2.gz RXXPVTCRPKMJTE-UHFFFAOYSA-N 1 0 364.493 4.134 50 0 FIAARO Cc1csc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1Cl ZINC000252499987 571281240 /nfs/dbraw/zinc/28/12/40/571281240.db2.gz SLEQHPZYCONBIQ-UHFFFAOYSA-N 1 0 362.926 4.413 50 0 FIAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2n1Cc1ccccc1 ZINC000252510631 571281609 /nfs/dbraw/zinc/28/16/09/571281609.db2.gz AYMDAKIPQXELNI-SFTDATJTSA-N 1 0 373.500 4.046 50 0 FIAARO Cc1c(O)ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)oc12 ZINC000002211816 571288268 /nfs/dbraw/zinc/28/82/68/571288268.db2.gz UJRNGDGSRAMBPW-UHFFFAOYSA-N 1 0 363.457 4.262 50 0 biogenic FIAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)C[C@H](O)[C@@H]2C(C)C)cc1 ZINC000252624559 571288865 /nfs/dbraw/zinc/28/88/65/571288865.db2.gz PQRBDYZZRFRTDK-CMOCDZPBSA-N 1 0 355.478 4.113 50 0 FIAARO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3Cl)cc2)C1 ZINC000584891316 571314559 /nfs/dbraw/zinc/31/45/59/571314559.db2.gz AAUYILJNGUDUGC-KRWDZBQOSA-N 1 0 360.860 4.360 50 0 FIAARO C[C@H](NC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000584901126 571316186 /nfs/dbraw/zinc/31/61/86/571316186.db2.gz NCQJDBNKWKEADN-HNNXBMFYSA-N 1 0 365.468 4.076 50 0 FIAARO CCCC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868527 571331838 /nfs/dbraw/zinc/33/18/38/571331838.db2.gz IQLMCZGEEIPFOI-BJKOFHAPSA-N 1 0 367.533 4.489 50 0 FIAARO Cc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021169797 571333493 /nfs/dbraw/zinc/33/34/93/571333493.db2.gz NOXQTTDWSQRJNF-RPWUZVMVSA-N 1 0 367.533 4.345 50 0 FIAARO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc1OCC1CC1 ZINC000095989239 571333519 /nfs/dbraw/zinc/33/35/19/571333519.db2.gz FGOSSAKNMKYADT-QRQCRPRQSA-N 1 0 373.468 4.489 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000096006573 571333854 /nfs/dbraw/zinc/33/38/54/571333854.db2.gz QGIYLVMWGWLFAE-IFXJQAMLSA-N 1 0 350.890 4.189 50 0 FIAARO Cc1cccc(O[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c2ccccc2)c1 ZINC000096027295 571334112 /nfs/dbraw/zinc/33/41/12/571334112.db2.gz RTXLMUGELDZOTK-QFIPXVFZSA-N 1 0 368.521 4.350 50 0 FIAARO CCC[NH+](CCC)CCNc1ncnc2onc(-c3ccccc3C)c21 ZINC000021714647 571335714 /nfs/dbraw/zinc/33/57/14/571335714.db2.gz SBUGSLTVENOTLB-UHFFFAOYSA-N 1 0 353.470 4.127 50 0 FIAARO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3cccs3)cc2)CC1 ZINC000029341660 571342324 /nfs/dbraw/zinc/34/23/24/571342324.db2.gz CIVCHKXQEBNLJY-CMDGGOBGSA-N 1 0 354.519 4.310 50 0 FIAARO CCN(C(=O)Nc1ccccc1OC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314425 1081825198 /nfs/dbraw/zinc/82/51/98/1081825198.db2.gz GCNFOUSLLJUFNE-PKOBYXMFSA-N 1 0 367.493 4.385 50 0 FIAARO C[C@@H](CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)c1ccccc1 ZINC000194021137 1083050078 /nfs/dbraw/zinc/05/00/78/1083050078.db2.gz XZHXPDWHXMPBBE-KRWDZBQOSA-N 1 0 350.462 4.195 50 0 FIAARO Cc1cccnc1Cn1ccc(-c2ccc(C[NH+]3CCC(F)CC3)s2)n1 ZINC000023399126 1084194508 /nfs/dbraw/zinc/19/45/08/1084194508.db2.gz UVWNOAMVCORIEH-UHFFFAOYSA-N 1 0 370.497 4.297 50 0 FIAARO Cc1cnc(-c2cccnc2)n1CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000581808710 1084623365 /nfs/dbraw/zinc/62/33/65/1084623365.db2.gz YWUSJTYGAROHJX-UHFFFAOYSA-N 1 0 364.468 4.305 50 0 FIAARO c1[nH]nc(C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1Cc1ccccc1 ZINC000023159349 1086121527 /nfs/dbraw/zinc/12/15/27/1086121527.db2.gz VGYNUJZXJLTFRB-UHFFFAOYSA-N 1 0 373.500 4.315 50 0 FIAARO Cc1nccn1CC[N@@H+](C)C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000023214385 1086254751 /nfs/dbraw/zinc/25/47/51/1086254751.db2.gz IPXPRWXCXCJITA-UHFFFAOYSA-N 1 0 364.493 4.052 50 0 FIAARO CCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000888088868 1086537955 /nfs/dbraw/zinc/53/79/55/1086537955.db2.gz VGSFXJUOIOIUJL-RBBKRZOGSA-N 1 0 372.553 4.131 50 0 FIAARO Cc1ccccc1NC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCCCCC1 ZINC000257191711 1090321559 /nfs/dbraw/zinc/32/15/59/1090321559.db2.gz RAOMCZCFQCBWFC-INIZCTEOSA-N 1 0 351.441 4.113 50 0 FIAARO CC(C)CN1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011769 1090887006 /nfs/dbraw/zinc/88/70/06/1090887006.db2.gz BROQWLKOKLDXMP-JOCHJYFZSA-N 1 0 358.574 4.257 50 0 FIAARO c1sc2ccccc2c1-c1cc2c(c(O[C@H]3CCOC3)c1)OCC[NH2+]C2 ZINC000299768873 1091695972 /nfs/dbraw/zinc/69/59/72/1091695972.db2.gz MUGHOCJNMCYYTO-INIZCTEOSA-N 1 0 367.470 4.218 50 0 FIAARO Oc1cccc(C[N@@H+]2CC3(C[C@@H]2COc2ccncc2)CCCCC3)c1 ZINC000257191142 1115702878 /nfs/dbraw/zinc/70/28/78/1115702878.db2.gz PCDRLGPIZRKGST-LJQANCHMSA-N 1 0 352.478 4.391 50 0 FIAARO Cc1c(COC(C)C)cccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000173850399 1116342501 /nfs/dbraw/zinc/34/25/01/1116342501.db2.gz SLXAOPMBFRNBLR-UHFFFAOYSA-N 1 0 359.514 4.012 50 0 FIAARO CC1(C)CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[C@H]1[NH3+] ZINC000262004728 1119300610 /nfs/dbraw/zinc/30/06/10/1119300610.db2.gz NRRIGKQXQLRSMR-OAHLLOKOSA-N 1 0 355.309 4.001 50 0 FIAARO c1ccc(COc2ccccc2CN2CCCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000092785669 1125242935 /nfs/dbraw/zinc/24/29/35/1125242935.db2.gz DAKXDXFQNQELOC-QFIPXVFZSA-N 1 0 365.521 4.111 50 0 FIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000252480014 209929392 /nfs/dbraw/zinc/92/93/92/209929392.db2.gz BRPZDTCZPPTXOB-SFHVURJKSA-N 1 0 358.526 4.099 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000001085987 219367307 /nfs/dbraw/zinc/36/73/07/219367307.db2.gz ZGRHIYVAODNRCA-INIZCTEOSA-N 1 0 373.909 4.367 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000005121848 209438530 /nfs/dbraw/zinc/43/85/30/209438530.db2.gz QBDUPRVESCJCAC-UHFFFAOYSA-N 1 0 371.481 4.424 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1 ZINC000002934093 209399209 /nfs/dbraw/zinc/39/92/09/209399209.db2.gz OWAZAURZBHZMBQ-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 ZINC000238070659 209358731 /nfs/dbraw/zinc/35/87/31/209358731.db2.gz XPLAOEAHBSHWKN-QFIPXVFZSA-N 1 0 351.421 4.228 50 0 FIAARO O=C(NCCc1ccccc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000047936529 209327771 /nfs/dbraw/zinc/32/77/71/209327771.db2.gz LTYNSIVCTFAWFT-UHFFFAOYSA-N 1 0 374.887 4.050 50 0 FIAARO Fc1cc(C(F)(F)F)ccc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000097772902 209196920 /nfs/dbraw/zinc/19/69/20/209196920.db2.gz KBKWKZUSPFNKRV-UHFFFAOYSA-N 1 0 368.374 4.421 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000096948014 209164581 /nfs/dbraw/zinc/16/45/81/209164581.db2.gz RUPTYKLQBBRNLK-YEWSQIFHSA-N 1 0 352.478 4.055 50 0 FIAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000096139716 209120939 /nfs/dbraw/zinc/12/09/39/209120939.db2.gz YTJBTANBGIMSII-JOCHJYFZSA-N 1 0 351.494 4.083 50 0 FIAARO Cc1ccc(CSc2ccccc2NC(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000096133428 209117667 /nfs/dbraw/zinc/11/76/67/209117667.db2.gz ZOPDDKVAINGTJZ-GOSISDBHSA-N 1 0 369.534 4.455 50 0 FIAARO CSc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000096135989 209117134 /nfs/dbraw/zinc/11/71/34/209117134.db2.gz FTYBSVHFXZUHQL-UHFFFAOYSA-N 1 0 373.522 4.344 50 0 FIAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000299786104 206647780 /nfs/dbraw/zinc/64/77/80/206647780.db2.gz MTWGWJSQLCNUGP-UHFFFAOYSA-N 1 0 362.477 4.428 50 0 FIAARO c1coc([C@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000003349313 206971458 /nfs/dbraw/zinc/97/14/58/206971458.db2.gz MXYGIZIIOCUYNR-AWEZNQCLSA-N 1 0 354.479 4.022 50 0 FIAARO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004105069 207000891 /nfs/dbraw/zinc/00/08/91/207000891.db2.gz YWIODUZHNKRKCF-UHFFFAOYSA-N 1 0 350.506 4.379 50 0 FIAARO COc1ccc([C@@](O)(CCc2ccccc2)CC[NH+]2CCCCC2)cc1 ZINC000004141807 207002996 /nfs/dbraw/zinc/00/29/96/207002996.db2.gz GNSNZJGEDNGCOI-HSZRJFAPSA-N 1 0 353.506 4.392 50 0 FIAARO CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)C(C)(C)[NH2+]C(C)(C)C2 ZINC000004281233 207010304 /nfs/dbraw/zinc/01/03/04/207010304.db2.gz AHDYUUWTXUQKMN-UHFFFAOYSA-N 1 0 366.527 4.069 50 0 FIAARO S=C(NC1CCCCCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000004299485 207011038 /nfs/dbraw/zinc/01/10/38/207011038.db2.gz FNGMZXNGLAHJBB-UHFFFAOYSA-N 1 0 359.583 4.182 50 0 FIAARO CC1CC[NH+](C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000004746383 207044452 /nfs/dbraw/zinc/04/44/52/207044452.db2.gz RAXQPHZGJLRKAZ-UHFFFAOYSA-N 1 0 351.332 4.145 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCCC2)cc1 ZINC000004816018 207051177 /nfs/dbraw/zinc/05/11/77/207051177.db2.gz VBXFOMRPUAWCHA-UHFFFAOYSA-N 1 0 374.488 4.451 50 0 biogenic FIAARO Cc1cccc2c1-c1sc(C(=O)NCC[N@H+]3CCCC[C@H]3C)cc1CO2 ZINC000005049972 207076107 /nfs/dbraw/zinc/07/61/07/207076107.db2.gz GMOHEMIMXZYYMN-OAHLLOKOSA-N 1 0 370.518 4.220 50 0 FIAARO O=C1CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000006927490 207178652 /nfs/dbraw/zinc/17/86/52/207178652.db2.gz LQQIVYSCPWCSSD-HSZRJFAPSA-N 1 0 362.473 4.114 50 0 in-man FIAARO O=C(Nc1ccc(F)cc1)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877409 207174487 /nfs/dbraw/zinc/17/44/87/207174487.db2.gz LNPDDMJCHGQPHQ-KRWDZBQOSA-N 1 0 367.468 4.128 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000006992968 207182263 /nfs/dbraw/zinc/18/22/63/207182263.db2.gz XLAZEWKNNWTVQE-UHFFFAOYSA-N 1 0 362.473 4.257 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)CSCc1ccc(Cl)s1 ZINC000006992870 207183134 /nfs/dbraw/zinc/18/31/34/207183134.db2.gz LOJLYTLGSRDPBH-UHFFFAOYSA-N 1 0 368.955 4.013 50 0 FIAARO COc1ccc(C[NH2+]CCSCc2cccs2)cc1OC(F)F ZINC000007736179 207204969 /nfs/dbraw/zinc/20/49/69/207204969.db2.gz BMQYEODQMAOZBF-UHFFFAOYSA-N 1 0 359.463 4.381 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1 ZINC000007777825 207206658 /nfs/dbraw/zinc/20/66/58/207206658.db2.gz BRIGMNGTFVJBKD-UHFFFAOYSA-N 1 0 366.505 4.260 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3c(C)cccc3C)C2)cc1 ZINC000008614034 207239594 /nfs/dbraw/zinc/23/95/94/207239594.db2.gz UBYCDPLSJDDCLZ-FQEVSTJZSA-N 1 0 351.494 4.255 50 0 FIAARO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063633 207257104 /nfs/dbraw/zinc/25/71/04/207257104.db2.gz XUKUNICPPDGYGW-UHFFFAOYSA-N 1 0 370.512 4.123 50 0 FIAARO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010456692 207300416 /nfs/dbraw/zinc/30/04/16/207300416.db2.gz XLZUMMHOPZXDFW-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)Nc1ccc(F)cc1F ZINC000036847598 207299971 /nfs/dbraw/zinc/29/99/71/207299971.db2.gz SOPULHWKUHECQC-UHFFFAOYSA-N 1 0 363.477 4.292 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000009916991 207289855 /nfs/dbraw/zinc/28/98/55/207289855.db2.gz UXTZFYRWIFEEIC-UHFFFAOYSA-N 1 0 361.489 4.038 50 0 FIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000011667776 207317948 /nfs/dbraw/zinc/31/79/48/207317948.db2.gz URIXNCQETQDPKP-PQCQUMGKSA-N 1 0 364.489 4.330 50 0 FIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000011719785 207319861 /nfs/dbraw/zinc/31/98/61/207319861.db2.gz VKIASFLWSXDLFR-GOSISDBHSA-N 1 0 365.502 4.337 50 0 FIAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC000011788564 207321614 /nfs/dbraw/zinc/32/16/14/207321614.db2.gz PMZPLDSUGXJOSU-QFIPXVFZSA-N 1 0 368.565 4.418 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccccc2Cl)c1 ZINC000011787351 207321960 /nfs/dbraw/zinc/32/19/60/207321960.db2.gz UITOODTZJPDTDB-IBGZPJMESA-N 1 0 356.897 4.319 50 0 FIAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000011665140 207316896 /nfs/dbraw/zinc/31/68/96/207316896.db2.gz DDGXMWAAKQCALO-GOSISDBHSA-N 1 0 374.440 4.058 50 0 FIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1ccccc1 ZINC000012000518 207333498 /nfs/dbraw/zinc/33/34/98/207333498.db2.gz DPGJKTOFUCQNBM-KRWDZBQOSA-N 1 0 357.461 4.217 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)ccc1O ZINC000011874349 207327176 /nfs/dbraw/zinc/32/71/76/207327176.db2.gz LVZXFBHASXXBCR-QGZVFWFLSA-N 1 0 371.502 4.218 50 0 FIAARO CN(Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873543 207327783 /nfs/dbraw/zinc/32/77/83/207327783.db2.gz JROGNEVSNLHYJJ-HXUWFJFHSA-N 1 0 357.929 4.122 50 0 FIAARO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012112099 207338016 /nfs/dbraw/zinc/33/80/16/207338016.db2.gz TZQLPFJQPROAKO-OAQYLSRUSA-N 1 0 372.509 4.324 50 0 FIAARO C[NH+](C)CCCOc1ccc(CN(C(=O)C2CCCCC2)C2CC2)cc1 ZINC000012219251 207349092 /nfs/dbraw/zinc/34/90/92/207349092.db2.gz FMRSKDGRQVMRMO-UHFFFAOYSA-N 1 0 358.526 4.088 50 0 FIAARO Cc1c(C[NH+]2CCC(CO)(C[C@@H]3CCCCO3)CC2)[nH]c2ccc(C)cc12 ZINC000012227048 207350400 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0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccs2)C1 ZINC000012441949 207378679 /nfs/dbraw/zinc/37/86/79/207378679.db2.gz VUMJCHWLHBSKIZ-SFHVURJKSA-N 1 0 356.535 4.083 50 0 FIAARO COc1cccc(CC2(CO)CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000012453639 207379128 /nfs/dbraw/zinc/37/91/28/207379128.db2.gz HXPHLWQYGSORNY-UHFFFAOYSA-N 1 0 359.897 4.166 50 0 FIAARO COc1ccccc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000012455021 207380086 /nfs/dbraw/zinc/38/00/86/207380086.db2.gz PREJAXSZZXBIGS-CYBMUJFWSA-N 1 0 357.404 4.318 50 0 FIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000012454787 207381104 /nfs/dbraw/zinc/38/11/04/207381104.db2.gz KLYGMURCXYMURL-FQEVSTJZSA-N 1 0 365.851 4.435 50 0 FIAARO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000012459636 207381262 /nfs/dbraw/zinc/38/12/62/207381262.db2.gz YPMHBOSAQQCOHO-ZDUSSCGKSA-N 1 0 357.404 4.318 50 0 FIAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012567136 207394476 /nfs/dbraw/zinc/39/44/76/207394476.db2.gz CZULXELSONAUEB-IBGZPJMESA-N 1 0 365.521 4.444 50 0 FIAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000012572515 207396482 /nfs/dbraw/zinc/39/64/82/207396482.db2.gz HWYCPVUJAWADAU-IBGZPJMESA-N 1 0 363.461 4.430 50 0 FIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]Cc4cccs4)CC3)nc2c1 ZINC000014955694 207533567 /nfs/dbraw/zinc/53/35/67/207533567.db2.gz UUYJZNGGMVIQSB-QGZVFWFLSA-N 1 0 366.534 4.457 50 0 FIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]CCCOC(C)C)CC3)nc2c1 ZINC000015006890 207537472 /nfs/dbraw/zinc/53/74/72/207537472.db2.gz XCJZUYJHLJWKRL-LJQANCHMSA-N 1 0 370.541 4.010 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@H]1CC12CCC2 ZINC000015072191 207543946 /nfs/dbraw/zinc/54/39/46/207543946.db2.gz UVRCFPUSJNNWEB-JOCHJYFZSA-N 1 0 368.565 4.288 50 0 FIAARO CC1(C)CC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000032862289 208051401 /nfs/dbraw/zinc/05/14/01/208051401.db2.gz PDPJEQODQJOZLT-UHFFFAOYSA-N 1 0 359.392 4.016 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032732201 208037428 /nfs/dbraw/zinc/03/74/28/208037428.db2.gz UMCMYPJKIQWFMS-QHCPKHFHSA-N 1 0 358.485 4.336 50 0 FIAARO Cc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000032762797 208042034 /nfs/dbraw/zinc/04/20/34/208042034.db2.gz SQDUCOXAOMYZQA-SFHVURJKSA-N 1 0 353.491 4.105 50 0 FIAARO Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000033139659 208074776 /nfs/dbraw/zinc/07/47/76/208074776.db2.gz IGZQAQSUZXMIQL-UHFFFAOYSA-N 1 0 367.537 4.459 50 0 FIAARO CCOc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033312145 208085259 /nfs/dbraw/zinc/08/52/59/208085259.db2.gz CSRCPPBUNSCRQH-KRWDZBQOSA-N 1 0 359.514 4.061 50 0 FIAARO CCNC(=O)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cccc(Cl)c2)C1 ZINC000034739895 208107198 /nfs/dbraw/zinc/10/71/98/208107198.db2.gz ATMUTJWWIXXRMM-AZUAARDMSA-N 1 0 356.897 4.429 50 0 FIAARO Cc1cccc([C@@H]2C[C@@H](C(=O)NCC3CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733581 208107978 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CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccccc1 ZINC000040150041 208236541 /nfs/dbraw/zinc/23/65/41/208236541.db2.gz NQTVBAPCJFVINA-HXUWFJFHSA-N 1 0 351.494 4.281 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000040157190 208240346 /nfs/dbraw/zinc/24/03/46/208240346.db2.gz VCEYGQJBHBYKPN-AOOOYVTPSA-N 1 0 356.289 4.039 50 0 FIAARO C[C@@H](C(=O)Nc1cccnc1SCC[NH+]1CCCCC1)c1ccccc1 ZINC000040455682 208255482 /nfs/dbraw/zinc/25/54/82/208255482.db2.gz RWFAUFCOAUMDJZ-QGZVFWFLSA-N 1 0 369.534 4.402 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000044932989 208321277 /nfs/dbraw/zinc/32/12/77/208321277.db2.gz XKPXWKKRYVLNMQ-QHCPKHFHSA-N 1 0 362.517 4.401 50 0 FIAARO CC1(C)C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc2O1 ZINC000044918570 208321672 /nfs/dbraw/zinc/32/16/72/208321672.db2.gz YGRIUPIOOJYOPC-FQEVSTJZSA-N 1 0 364.489 4.315 50 0 FIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000044935721 208323367 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0 FIAARO Fc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1-c1cccs1 ZINC000095392522 209047971 /nfs/dbraw/zinc/04/79/71/209047971.db2.gz VGAYKZKGOFILNA-ZDUSSCGKSA-N 1 0 358.404 4.280 50 0 FIAARO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000095407248 209048770 /nfs/dbraw/zinc/04/87/70/209048770.db2.gz WOBUUKSPZYGUIK-UHFFFAOYSA-N 1 0 365.521 4.184 50 0 FIAARO CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000095402774 209049751 /nfs/dbraw/zinc/04/97/51/209049751.db2.gz GTCXZNIJGBHSSQ-UTKZUKDTSA-N 1 0 352.478 4.387 50 0 FIAARO Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc(C)c1OC(F)F ZINC000095468639 209054867 /nfs/dbraw/zinc/05/48/67/209054867.db2.gz GCICORIQJIFEIU-INIZCTEOSA-N 1 0 363.452 4.093 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1Br)CC(C)C ZINC000058823435 221122951 /nfs/dbraw/zinc/12/29/51/221122951.db2.gz NXDFTCHCPLYDBL-AWEZNQCLSA-N 1 0 370.335 4.327 50 0 FIAARO CCCCc1noc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000070038884 221331580 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CCOC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095524833 209075785 /nfs/dbraw/zinc/07/57/85/209075785.db2.gz HLPJYWSHHXDKQE-LJQANCHMSA-N 1 0 359.514 4.085 50 0 FIAARO COCC[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000095531547 209078475 /nfs/dbraw/zinc/07/84/75/209078475.db2.gz GFQJGONEAJKOKX-UHFFFAOYSA-N 1 0 372.896 4.304 50 0 FIAARO CC[NH+](CC)Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)c1 ZINC000019837301 520756166 /nfs/dbraw/zinc/75/61/66/520756166.db2.gz UJHBPEAKGDQBLN-UHFFFAOYSA-N 1 0 351.425 4.085 50 0 FIAARO C[NH+](C)CCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1 ZINC000020864874 521817771 /nfs/dbraw/zinc/81/77/71/521817771.db2.gz NYOSMSMYVCPDBS-UHFFFAOYSA-N 1 0 360.383 4.193 50 0 FIAARO COc1c(F)cc(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)cc1Cl ZINC000091459341 521850980 /nfs/dbraw/zinc/85/09/80/521850980.db2.gz PCCORGNLHMGOIU-OAHLLOKOSA-N 1 0 363.860 4.045 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cccn2-c2ccccn2)C1 ZINC000020537295 522957694 /nfs/dbraw/zinc/95/76/94/522957694.db2.gz KIBWWDWESPIBAC-QFIPXVFZSA-N 1 0 374.532 4.011 50 0 FIAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccccc4OC4CCCC4)nc2-3)CC1 ZINC000020351380 523785917 /nfs/dbraw/zinc/78/59/17/523785917.db2.gz GFZJEEUQXIDRTR-UHFFFAOYSA-N 1 0 365.481 4.015 50 0 FIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1OC ZINC000019872544 523974968 /nfs/dbraw/zinc/97/49/68/523974968.db2.gz XLNNPTWLDVJEJG-UHFFFAOYSA-N 1 0 355.409 4.435 50 0 FIAARO Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000020889743 524630493 /nfs/dbraw/zinc/63/04/93/524630493.db2.gz HRBLZOYYKLSVGA-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](Cc2ccccc2C)CC1 ZINC000020540851 525400288 /nfs/dbraw/zinc/40/02/88/525400288.db2.gz ZJSKBMFUDJQPHW-UHFFFAOYSA-N 1 0 360.505 4.011 50 0 FIAARO c1ccc2c(c1)C[C@H](C[NH2+]Cc1cc3ccccc3nc1N1CCCCC1)O2 ZINC000084594831 526508713 /nfs/dbraw/zinc/50/87/13/526508713.db2.gz HBNSMEUFNJGFGL-OAQYLSRUSA-N 1 0 373.500 4.318 50 0 FIAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2ccccc21 ZINC000089832358 526612717 /nfs/dbraw/zinc/61/27/17/526612717.db2.gz GWTFAMUBVROOKQ-HXUWFJFHSA-N 1 0 358.485 4.134 50 0 FIAARO O=C(CCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCCC1 ZINC000020648926 526635000 /nfs/dbraw/zinc/63/50/00/526635000.db2.gz GKJZYOXGLAXCGH-UHFFFAOYSA-N 1 0 353.510 4.030 50 0 FIAARO COc1ccc(/C=C/C[NH+]2CCN(c3nccc4ccccc43)CC2)cc1 ZINC000065424247 536596535 /nfs/dbraw/zinc/59/65/35/536596535.db2.gz VWKOVLBPDSXDLD-SNAWJCMRSA-N 1 0 359.473 4.079 50 0 FIAARO COc1cccc(-c2cccc(N3CCC([NH2+][C@@H]4CCCOC4)CC3)c2)c1 ZINC000023541817 537065505 /nfs/dbraw/zinc/06/55/05/537065505.db2.gz OZOCLOGNRNUXDQ-OAQYLSRUSA-N 1 0 366.505 4.100 50 0 FIAARO COc1ccccc1C1CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000215484891 568073055 /nfs/dbraw/zinc/07/30/55/568073055.db2.gz JFCZRNXXCQISFM-UHFFFAOYSA-N 1 0 357.523 4.132 50 0 FIAARO Cc1nc(CC2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)no1 ZINC000215680848 568083438 /nfs/dbraw/zinc/08/34/38/568083438.db2.gz FXKLVIIAYPEWSV-QGZVFWFLSA-N 1 0 361.511 4.136 50 0 FIAARO Cc1nc(CC2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)no1 ZINC000215680804 568083456 /nfs/dbraw/zinc/08/34/56/568083456.db2.gz FXKLVIIAYPEWSV-KRWDZBQOSA-N 1 0 361.511 4.136 50 0 FIAARO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296890 568096137 /nfs/dbraw/zinc/09/61/37/568096137.db2.gz CDDYZYIBFIQEGM-ZWKOTPCHSA-N 1 0 369.534 4.113 50 0 biogenic FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cccn1C1CC1 ZINC000216269614 568115699 /nfs/dbraw/zinc/11/56/99/568115699.db2.gz ZTAJKUCLRIQANS-OAQYLSRUSA-N 1 0 351.494 4.170 50 0 FIAARO CN(CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(Cl)c1 ZINC000024812021 568129512 /nfs/dbraw/zinc/12/95/12/568129512.db2.gz UERSQLHBOGBGCB-UHFFFAOYSA-N 1 0 354.784 4.012 50 0 FIAARO C[N@H+](CCCNC(=O)CCCc1c[nH]c2ccccc12)Cc1ccccc1 ZINC000021938990 568188658 /nfs/dbraw/zinc/18/86/58/568188658.db2.gz IKELQTWWYMHRBH-UHFFFAOYSA-N 1 0 363.505 4.129 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)NCc1cccc2ccccc21)c1ccsc1 ZINC000022766924 568311300 /nfs/dbraw/zinc/31/13/00/568311300.db2.gz OPLOWWZJMDBKMH-IBGZPJMESA-N 1 0 353.491 4.003 50 0 FIAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCC[NH+]1Cc2ccccc2C1 ZINC000222503337 568533664 /nfs/dbraw/zinc/53/36/64/568533664.db2.gz IWDNRGUFUPNHIT-UHFFFAOYSA-N 1 0 365.452 4.061 50 0 FIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000091780613 570438625 /nfs/dbraw/zinc/43/86/25/570438625.db2.gz BBSBWTRFJMOMAL-INIZCTEOSA-N 1 0 362.395 4.238 50 0 FIAARO C[NH+]1CCN([C@H]2Cc3cc(O)ccc3Sc3ccc(Cl)cc32)CC1 ZINC000000638687 570441813 /nfs/dbraw/zinc/44/18/13/570441813.db2.gz GIVDGUOYBSHWCY-KRWDZBQOSA-N 1 0 360.910 4.041 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000000756543 570455337 /nfs/dbraw/zinc/45/53/37/570455337.db2.gz OIDACLQVAGIDMT-UHFFFAOYSA-N 1 0 363.288 4.388 50 0 FIAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000247746147 570484948 /nfs/dbraw/zinc/48/49/48/570484948.db2.gz ROCKRECNTRVANF-SESVDKBCSA-N 1 0 357.519 4.340 50 0 FIAARO CCOC(=O)c1ccc(C(=O)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000002515499 570523800 /nfs/dbraw/zinc/52/38/00/570523800.db2.gz YZGKHORPLFNZPK-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000050041070 570542674 /nfs/dbraw/zinc/54/26/74/570542674.db2.gz HWSLNJAIVQSVHB-MRXNPFEDSA-N 1 0 367.276 4.082 50 0 FIAARO Fc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1-c1cccs1 ZINC000060953168 570552864 /nfs/dbraw/zinc/55/28/64/570552864.db2.gz VGAYKZKGOFILNA-CYBMUJFWSA-N 1 0 358.404 4.280 50 0 FIAARO Fc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1-c1cccs1 ZINC000060953508 570553155 /nfs/dbraw/zinc/55/31/55/570553155.db2.gz YZNQOUZLPRXYEI-UHFFFAOYSA-N 1 0 354.441 4.373 50 0 FIAARO COc1ccccc1N1CC[NH+](CCCCOc2ccc(Cl)cc2)CC1 ZINC000003460989 570565123 /nfs/dbraw/zinc/56/51/23/570565123.db2.gz LLTJDTZZZQEHTC-UHFFFAOYSA-N 1 0 374.912 4.330 50 0 FIAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccc(C)c(C)c4)c32)CC1 ZINC000005598001 570631579 /nfs/dbraw/zinc/63/15/79/570631579.db2.gz YAFLHMNFMQBILY-UHFFFAOYSA-N 1 0 352.507 4.117 50 0 FIAARO C[NH+](C)CCCN(C(=O)/C=C/c1cccs1)c1nc2ccccc2s1 ZINC000005239850 570638591 /nfs/dbraw/zinc/63/85/91/570638591.db2.gz ZFMJJVOEWFBUGE-ZHACJKMWSA-N 1 0 371.531 4.356 50 0 FIAARO C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000005275007 570645785 /nfs/dbraw/zinc/64/57/85/570645785.db2.gz BAGPJGSPOHTGMQ-IQMDTDKHSA-N 1 0 355.385 4.159 50 0 FIAARO C[NH+](C)CCO[C@H](c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000005342213 570648299 /nfs/dbraw/zinc/64/82/99/570648299.db2.gz MXFIQCIFPRCZRD-KRWDZBQOSA-N 1 0 352.247 4.256 50 0 FIAARO Cc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C ZINC000003330324 570660688 /nfs/dbraw/zinc/66/06/88/570660688.db2.gz WYHZMMHAMOJLBF-GOSISDBHSA-N 1 0 357.523 4.410 50 0 FIAARO CCOc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1 ZINC000010313998 570699996 /nfs/dbraw/zinc/69/99/96/570699996.db2.gz WIBZRXDMNMQDOY-UHFFFAOYSA-N 1 0 365.477 4.041 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000012434638 570745174 /nfs/dbraw/zinc/74/51/74/570745174.db2.gz HNIWCZHIIMADTL-UHFFFAOYSA-N 1 0 366.505 4.250 50 0 FIAARO Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc2c1C ZINC000004359800 570758828 /nfs/dbraw/zinc/75/88/28/570758828.db2.gz QYSBTMVSMKVLFI-UHFFFAOYSA-N 1 0 357.479 4.105 50 0 FIAARO CC[N@H+](Cc1ccccc1)Cc1cc(Br)c(O)c(OC)c1 ZINC000004989091 570774947 /nfs/dbraw/zinc/77/49/47/570774947.db2.gz ZPYUWWGXGVTTOC-UHFFFAOYSA-N 1 0 350.256 4.185 50 0 FIAARO Cc1c2ccccc2sc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032729610 570785250 /nfs/dbraw/zinc/78/52/50/570785250.db2.gz UBEGNWKBSDMFMT-QGZVFWFLSA-N 1 0 356.466 4.382 50 0 FIAARO O[C@@]1(c2ccc(Cl)cc2Cl)C[n+]2ccccc2N1Cc1ccccc1 ZINC000013799118 570791576 /nfs/dbraw/zinc/79/15/76/570791576.db2.gz CBKPVWKMUGYFAL-HXUWFJFHSA-N 1 0 372.275 4.149 50 0 FIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000014971666 570827421 /nfs/dbraw/zinc/82/74/21/570827421.db2.gz MWBHTJMCFBYDFH-UHFFFAOYSA-N 1 0 365.473 4.476 50 0 FIAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)NCc1ccc(F)cc1 ZINC000015063471 570830520 /nfs/dbraw/zinc/83/05/20/570830520.db2.gz WIINEIWPOWENAE-FQEVSTJZSA-N 1 0 358.501 4.290 50 0 FIAARO CCOc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000015072965 570831536 /nfs/dbraw/zinc/83/15/36/570831536.db2.gz UGAARFNZOHYUFS-HXUWFJFHSA-N 1 0 360.461 4.105 50 0 FIAARO CCOc1ccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000015072967 570831548 /nfs/dbraw/zinc/83/15/48/570831548.db2.gz UGAARFNZOHYUFS-FQEVSTJZSA-N 1 0 360.461 4.105 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2C)cc1 ZINC000015300705 570836727 /nfs/dbraw/zinc/83/67/27/570836727.db2.gz ARXYRURWNPXBGV-QFIPXVFZSA-N 1 0 366.505 4.108 50 0 FIAARO COc1ccc(NC(=O)[C@H]([NH2+][C@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504406 570839713 /nfs/dbraw/zinc/83/97/13/570839713.db2.gz IQGAIIHSUQCELO-BFUOFWGJSA-N 1 0 358.869 4.417 50 0 FIAARO CCCCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831644 570844334 /nfs/dbraw/zinc/84/43/34/570844334.db2.gz RKOHJRLRTZBALE-HXUWFJFHSA-N 1 0 370.493 4.416 50 0 FIAARO Cc1c2cc(Cl)ccc2n(C)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000016266568 570853408 /nfs/dbraw/zinc/85/34/08/570853408.db2.gz NFHVAPYUFHOWAV-UHFFFAOYSA-N 1 0 373.928 4.231 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000104114461 570857103 /nfs/dbraw/zinc/85/71/03/570857103.db2.gz OYFFPOCBRQYALS-UTKZUKDTSA-N 1 0 352.478 4.018 50 0 FIAARO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016607551 570858959 /nfs/dbraw/zinc/85/89/59/570858959.db2.gz SAMNFHVEJMXWOZ-UHFFFAOYSA-N 1 0 360.860 4.008 50 0 FIAARO Brc1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000010435222 570874089 /nfs/dbraw/zinc/87/40/89/570874089.db2.gz LQTBRZAEHBWCJL-UHFFFAOYSA-N 1 0 359.311 4.203 50 0 FIAARO OCCCn1ccc(-c2cccc(-c3ccc(C[NH+]4CCCC4)cc3)c2)n1 ZINC000019144641 570881211 /nfs/dbraw/zinc/88/12/11/570881211.db2.gz VBFORRJQFNVZRF-UHFFFAOYSA-N 1 0 361.489 4.195 50 0 FIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(Br)cs2)c1 ZINC000020369958 570881431 /nfs/dbraw/zinc/88/14/31/570881431.db2.gz YZFPTSLAHNSGTF-SNVBAGLBSA-N 1 0 353.285 4.320 50 0 FIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000019361766 570887455 /nfs/dbraw/zinc/88/74/55/570887455.db2.gz SCJUHVVPLYMLCN-CRAIPNDOSA-N 1 0 351.332 4.145 50 0 FIAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000044857406 570899900 /nfs/dbraw/zinc/89/99/00/570899900.db2.gz WXDABEPNSCXCRD-LJQANCHMSA-N 1 0 352.478 4.453 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000108164019 570904150 /nfs/dbraw/zinc/90/41/50/570904150.db2.gz UQVOMRMVIYDFTC-FDFHNCONSA-N 1 0 370.537 4.451 50 0 FIAARO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC000108461549 570906693 /nfs/dbraw/zinc/90/66/93/570906693.db2.gz UXPHLCCFNDAOQT-KSEOMHKRSA-N 1 0 369.530 4.015 50 0 FIAARO CCc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021148735 570928319 /nfs/dbraw/zinc/92/83/19/570928319.db2.gz WQDNONMPDTWXGE-NRFANRHFSA-N 1 0 372.553 4.275 50 0 FIAARO O=C(Cc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021637704 570932380 /nfs/dbraw/zinc/93/23/80/570932380.db2.gz LSDLDFDLRUUELE-UHFFFAOYSA-N 1 0 356.897 4.185 50 0 FIAARO c1ccc(COc2ccc([C@@H](c3ccccc3)N3CC[NH2+]CC3)cc2)cc1 ZINC000022028452 570937683 /nfs/dbraw/zinc/93/76/83/570937683.db2.gz ZTZCXTFMVJKXFG-XMMPIXPASA-N 1 0 358.485 4.260 50 0 FIAARO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCCCC4)C3)CC2)cc1 ZINC000022851294 570951180 /nfs/dbraw/zinc/95/11/80/570951180.db2.gz CLGUQJFATLHUNH-HSZRJFAPSA-N 1 0 355.570 4.386 50 0 FIAARO FC(F)(F)c1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023192662 570959273 /nfs/dbraw/zinc/95/92/73/570959273.db2.gz KXABEINLLJAPJZ-UHFFFAOYSA-N 1 0 372.394 4.022 50 0 FIAARO CCOc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(F)cc3)[n+]2=O)cc1 ZINC000136839961 570965344 /nfs/dbraw/zinc/96/53/44/570965344.db2.gz NRGKZHLYLJQHDQ-UHFFFAOYSA-N 1 0 355.389 4.129 50 0 FIAARO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccccc2n1 ZINC000023738880 570967236 /nfs/dbraw/zinc/96/72/36/570967236.db2.gz HBGYSUPVTIPIMN-JOCHJYFZSA-N 1 0 359.473 4.110 50 0 FIAARO CC(C)C[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccccc1 ZINC000023762779 570967281 /nfs/dbraw/zinc/96/72/81/570967281.db2.gz VGBUXPHEIKIHGH-MRXNPFEDSA-N 1 0 367.518 4.350 50 0 FIAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000026311291 571004751 /nfs/dbraw/zinc/00/47/51/571004751.db2.gz VUNGEBBHVQZZLM-GOSISDBHSA-N 1 0 374.550 4.185 50 0 FIAARO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000026915688 571009349 /nfs/dbraw/zinc/00/93/49/571009349.db2.gz BFSCTWDOELHYQE-QFIPXVFZSA-N 1 0 363.505 4.153 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741237 571019502 /nfs/dbraw/zinc/01/95/02/571019502.db2.gz QCVXQFZRGUKSOG-GOSISDBHSA-N 1 0 372.534 4.494 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027749521 571020638 /nfs/dbraw/zinc/02/06/38/571020638.db2.gz UVLSPCFMXWQFCR-JOCHJYFZSA-N 1 0 350.506 4.271 50 0 FIAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1 ZINC000028289390 571029493 /nfs/dbraw/zinc/02/94/93/571029493.db2.gz OIPCFCOIOGIJFT-FQEVSTJZSA-N 1 0 354.494 4.025 50 0 FIAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296785 571030858 /nfs/dbraw/zinc/03/08/58/571030858.db2.gz PDBDDHQOGOEVIT-INIZCTEOSA-N 1 0 360.929 4.457 50 0 FIAARO O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072289554 571044143 /nfs/dbraw/zinc/04/41/43/571044143.db2.gz HTFLXVJZLUEZQI-UHFFFAOYSA-N 1 0 369.428 4.322 50 0 FIAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000038674572 571048678 /nfs/dbraw/zinc/04/86/78/571048678.db2.gz KPSHUDIBGLNFDH-UHFFFAOYSA-N 1 0 369.431 4.482 50 0 FIAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3CC)c(=O)c2c1 ZINC000008714053 571057136 /nfs/dbraw/zinc/05/71/36/571057136.db2.gz OAYGFIBVRGGAQX-INIZCTEOSA-N 1 0 356.466 4.190 50 0 FIAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000060332804 571109138 /nfs/dbraw/zinc/10/91/38/571109138.db2.gz PMLGJPGTCGOZKL-ZWKOTPCHSA-N 1 0 362.256 4.017 50 0 FIAARO Brc1ccc([C@H]2C[N@H+](CCc3cccs3)CCO2)cc1 ZINC000060333634 571109163 /nfs/dbraw/zinc/10/91/63/571109163.db2.gz BIIHQSRUZZAUNK-MRXNPFEDSA-N 1 0 352.297 4.127 50 0 FIAARO COCc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000241911257 571110687 /nfs/dbraw/zinc/11/06/87/571110687.db2.gz UAZZFKZMKSGDHU-GOSISDBHSA-N 1 0 373.541 4.341 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@@H]1CCCO1 ZINC000243932481 571112939 /nfs/dbraw/zinc/11/29/39/571112939.db2.gz BVVJWZQKOZEEHZ-FQEVSTJZSA-N 1 0 363.461 4.226 50 0 FIAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055061145 571115635 /nfs/dbraw/zinc/11/56/35/571115635.db2.gz WHQGXKMGRCKYSD-IBGZPJMESA-N 1 0 369.436 4.014 50 0 FIAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCc1ccccn1)Nc1ccccc1F ZINC000244787698 571116576 /nfs/dbraw/zinc/11/65/76/571116576.db2.gz QBZBBRBLKRJECY-GOSISDBHSA-N 1 0 355.457 4.037 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)C3CCCCC3)sc2cc1C ZINC000009708056 571117533 /nfs/dbraw/zinc/11/75/33/571117533.db2.gz QJFYTMQPGSQVKG-UHFFFAOYSA-N 1 0 359.539 4.388 50 0 FIAARO CCOCc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ncccc12 ZINC000055211131 571117803 /nfs/dbraw/zinc/11/78/03/571117803.db2.gz FUSXTTQJQWXMAD-AZUAARDMSA-N 1 0 354.494 4.415 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2scnc2c1)c1ccco1 ZINC000244882796 571118950 /nfs/dbraw/zinc/11/89/50/571118950.db2.gz XZDFDSLBJYUPNT-OAHLLOKOSA-N 1 0 358.467 4.094 50 0 FIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(O)cc2)cc1 ZINC000244884420 571119502 /nfs/dbraw/zinc/11/95/02/571119502.db2.gz YMFNGVVWARZDOY-QFIPXVFZSA-N 1 0 366.505 4.140 50 0 FIAARO Cc1ccccc1-c1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)cc1 ZINC000055327613 571119550 /nfs/dbraw/zinc/11/95/50/571119550.db2.gz YRTPSWCEZIXLCL-UHFFFAOYSA-N 1 0 360.505 4.245 50 0 FIAARO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244898808 571119796 /nfs/dbraw/zinc/11/97/96/571119796.db2.gz ZBYVWLHLLRDAQI-INIZCTEOSA-N 1 0 356.466 4.022 50 0 FIAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055413657 571120582 /nfs/dbraw/zinc/12/05/82/571120582.db2.gz WYLNPVGXXURRMX-UHFFFAOYSA-N 1 0 361.424 4.238 50 0 FIAARO Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c12 ZINC000013640686 571121797 /nfs/dbraw/zinc/12/17/97/571121797.db2.gz TZKBYZUMCMORHF-UHFFFAOYSA-N 1 0 373.416 4.155 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330487 571125213 /nfs/dbraw/zinc/12/52/13/571125213.db2.gz IEKCLZPHNPSECB-JOCHJYFZSA-N 1 0 362.473 4.271 50 0 FIAARO COc1ccc([C@@H](CNc2cnc3ccccc3n2)[NH+]2CCCCC2)cc1 ZINC000058583143 571133364 /nfs/dbraw/zinc/13/33/64/571133364.db2.gz LHBPLDRVSFJTKX-OAQYLSRUSA-N 1 0 362.477 4.278 50 0 FIAARO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862316 571138405 /nfs/dbraw/zinc/13/84/05/571138405.db2.gz VKIVXBCTLLHNHU-UHFFFAOYSA-N 1 0 364.489 4.102 50 0 FIAARO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000015862358 571138925 /nfs/dbraw/zinc/13/89/25/571138925.db2.gz NESLHOCIWGSYLE-UHFFFAOYSA-N 1 0 368.452 4.478 50 0 FIAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccccc3Cl)cc2)CC1 ZINC000065362772 571141760 /nfs/dbraw/zinc/14/17/60/571141760.db2.gz YQPSXZKTXUULGH-UHFFFAOYSA-N 1 0 372.896 4.384 50 0 FIAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCSc3ccccc3)cc2)CC1 ZINC000065364725 571142033 /nfs/dbraw/zinc/14/20/33/571142033.db2.gz OIUGFORWSPAZBK-UHFFFAOYSA-N 1 0 370.518 4.281 50 0 FIAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3nccs3)cc2)on1 ZINC000065373598 571142250 /nfs/dbraw/zinc/14/22/50/571142250.db2.gz MNQSXFSCAOOGIT-MRXNPFEDSA-N 1 0 368.462 4.029 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000020414560 571143893 /nfs/dbraw/zinc/14/38/93/571143893.db2.gz ZXCWVCFSHLTTCG-AWEZNQCLSA-N 1 0 358.532 4.235 50 0 FIAARO CCc1ccc2oc(=O)cc(C[N@@H+]3CCC[C@@H](Cc4cccnc4)C3)c2c1 ZINC000065506135 571144623 /nfs/dbraw/zinc/14/46/23/571144623.db2.gz WGSZTSHWVCEDLG-IBGZPJMESA-N 1 0 362.473 4.205 50 0 FIAARO CCc1ccc([C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)c2cccc(F)c2)cc1 ZINC000012915635 571144714 /nfs/dbraw/zinc/14/47/14/571144714.db2.gz ULSDEFCUCIJWCV-JOCHJYFZSA-N 1 0 362.448 4.366 50 0 FIAARO c1cnn(CC[N@@H+]2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)c1 ZINC000067773677 571149346 /nfs/dbraw/zinc/14/93/46/571149346.db2.gz LTIAFYFSBKRCFV-UHFFFAOYSA-N 1 0 370.456 4.263 50 0 FIAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[NH+]1CCC(CCO)CC1 ZINC000067856784 571150386 /nfs/dbraw/zinc/15/03/86/571150386.db2.gz HFLNOGBDIZCEGK-UHFFFAOYSA-N 1 0 368.399 4.263 50 0 FIAARO CC[NH+]1CCC(N2CCOc3c(O)cc(-c4ccccc4C)cc3C2)CC1 ZINC000067895719 571151490 /nfs/dbraw/zinc/15/14/90/571151490.db2.gz NXTVUHJTJUDDLU-UHFFFAOYSA-N 1 0 366.505 4.046 50 0 FIAARO Clc1ccc(-c2cc(N3CC[NH+](Cc4ccccc4)CC3)n[nH]2)cc1 ZINC000068754964 571153515 /nfs/dbraw/zinc/15/35/15/571153515.db2.gz JSXCDWCGXDVFDA-UHFFFAOYSA-N 1 0 352.869 4.052 50 0 FIAARO Cc1csc(-c2cccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c2)n1 ZINC000075110221 571156100 /nfs/dbraw/zinc/15/61/00/571156100.db2.gz SLJPAXSOSKMZBI-AWEZNQCLSA-N 1 0 360.527 4.216 50 0 FIAARO CC(C)n1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000075330283 571161225 /nfs/dbraw/zinc/16/12/25/571161225.db2.gz PLCVIORCPYPILH-UHFFFAOYSA-N 1 0 362.477 4.465 50 0 FIAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071730299 571164061 /nfs/dbraw/zinc/16/40/61/571164061.db2.gz NZOQGWBSDAFOAB-MRXNPFEDSA-N 1 0 351.416 4.284 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cn1 ZINC000071751369 571164857 /nfs/dbraw/zinc/16/48/57/571164857.db2.gz RMGHADKKDSYUSQ-KRWDZBQOSA-N 1 0 356.489 4.281 50 0 FIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](CCc4ccccn4)C3)ccc2c1 ZINC000071761947 571165602 /nfs/dbraw/zinc/16/56/02/571165602.db2.gz HLOQAYIGZFRNFB-NRFANRHFSA-N 1 0 374.484 4.381 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)c(C)c1=O ZINC000072137135 571171626 /nfs/dbraw/zinc/17/16/26/571171626.db2.gz BNJOXOHPNCSNMG-INIZCTEOSA-N 1 0 360.448 4.115 50 0 FIAARO c1cncc(COC2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000072145500 571172967 /nfs/dbraw/zinc/17/29/67/571172967.db2.gz NATHCRCSVRKEDB-UHFFFAOYSA-N 1 0 366.509 4.101 50 0 FIAARO O=C(c1coc2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072167232 571176738 /nfs/dbraw/zinc/17/67/38/571176738.db2.gz HFHXOORRZUBRSW-UEVCKROQSA-N 1 0 372.468 4.135 50 0 FIAARO C[NH+](C)[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)CC1 ZINC000072173653 571177612 /nfs/dbraw/zinc/17/76/12/571177612.db2.gz FOKGCLJYDNFFNB-LJQANCHMSA-N 1 0 373.928 4.210 50 0 FIAARO CCCc1nc2cc(CCC(=O)Nc3ccc(OCC)cc3)ccc2[nH]1 ZINC000075465626 571186352 /nfs/dbraw/zinc/18/63/52/571186352.db2.gz CYUMAYJXFAUVGE-UHFFFAOYSA-N 1 0 351.450 4.485 50 0 FIAARO O=C1CCC(=O)N1C1CCC([NH2+][C@@H]2CCCC[C@H]2C2=CCCCC2)CC1 ZINC000090854801 571189909 /nfs/dbraw/zinc/18/99/09/571189909.db2.gz WUBLBBMREYEIKM-GHBBCFCZSA-N 1 0 358.526 4.095 50 0 FIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)o1 ZINC000072425246 571194309 /nfs/dbraw/zinc/19/43/09/571194309.db2.gz ZZSFJLNIZMCSJZ-KRWDZBQOSA-N 1 0 368.525 4.351 50 0 FIAARO COc1cccc2ccc(N[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)nc21 ZINC000072427974 571194826 /nfs/dbraw/zinc/19/48/26/571194826.db2.gz PYVQHZUTEXVRJT-FQEVSTJZSA-N 1 0 373.500 4.287 50 0 FIAARO c1nc(CC2CCCC2)[nH]c1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072431757 571195812 /nfs/dbraw/zinc/19/58/12/571195812.db2.gz AISRPERKXOSACR-KRWDZBQOSA-N 1 0 363.509 4.398 50 0 FIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C ZINC000072437706 571196738 /nfs/dbraw/zinc/19/67/38/571196738.db2.gz DBSUIBCWAHVZGF-QFIPXVFZSA-N 1 0 350.506 4.475 50 0 FIAARO COc1ccccc1Oc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000299774916 571196834 /nfs/dbraw/zinc/19/68/34/571196834.db2.gz JNDZPTVVSUKFOH-INIZCTEOSA-N 1 0 369.465 4.093 50 0 FIAARO CCOC(=O)c1ccc(N2C[C@H]3CCCC[N@@H+]3[C@H]2c2ccccc2)cc1 ZINC000248289104 571199677 /nfs/dbraw/zinc/19/96/77/571199677.db2.gz IUKCBZVVAUOCOM-NHCUHLMSSA-N 1 0 350.462 4.237 50 0 FIAARO COc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000299790201 571200335 /nfs/dbraw/zinc/20/03/35/571200335.db2.gz BSYWSUIAVREZLF-KRWDZBQOSA-N 1 0 369.465 4.141 50 0 FIAARO Cc1nc(C)c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)o1 ZINC000299796264 571202100 /nfs/dbraw/zinc/20/21/00/571202100.db2.gz NNKBRLNACAJZAG-BBWFWOEESA-N 1 0 350.422 4.034 50 0 FIAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3cccs3)cc2F)CC1 ZINC000054174117 571203014 /nfs/dbraw/zinc/20/30/14/571203014.db2.gz SIGGYFKINYRTAV-UHFFFAOYSA-N 1 0 358.482 4.045 50 0 FIAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(OC)c1 ZINC000097097047 571203746 /nfs/dbraw/zinc/20/37/46/571203746.db2.gz WSVMONBHLQEVIE-JZPMYCAGSA-N 1 0 373.518 4.367 50 0 FIAARO COc1cc(-c2nccn2[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000077321359 571207588 /nfs/dbraw/zinc/20/75/88/571207588.db2.gz OCHLYPKTVNXMRD-INIZCTEOSA-N 1 0 369.490 4.163 50 0 FIAARO COc1cc(-c2nccn2[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1O ZINC000077321356 571207603 /nfs/dbraw/zinc/20/76/03/571207603.db2.gz OCHLYPKTVNXMRD-MRXNPFEDSA-N 1 0 369.490 4.163 50 0 FIAARO Cc1[nH]nc(C(C)C)c1-c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000534657544 571208021 /nfs/dbraw/zinc/20/80/21/571208021.db2.gz DNTTYFKBFNJSAS-UHFFFAOYSA-N 1 0 368.525 4.114 50 0 FIAARO Cc1cc(C)c(C[N@H+](C)Cc2cc(-c3cccnc3)no2)c(-n2cccn2)c1 ZINC000077357827 571209164 /nfs/dbraw/zinc/20/91/64/571209164.db2.gz KQUQTSBRZFOEDR-UHFFFAOYSA-N 1 0 373.460 4.171 50 0 FIAARO COc1c(F)cc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2C)cc1Cl ZINC000077521727 571214576 /nfs/dbraw/zinc/21/45/76/571214576.db2.gz KXAQZVDVGVXDRI-INIZCTEOSA-N 1 0 365.880 4.437 50 0 FIAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000023128074 571217367 /nfs/dbraw/zinc/21/73/67/571217367.db2.gz GYVXSVDFDKVAGX-UHFFFAOYSA-N 1 0 356.535 4.315 50 0 FIAARO C[NH+](C)C1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000426478774 571227428 /nfs/dbraw/zinc/22/74/28/571227428.db2.gz MMQSBROEPFADOW-FQEVSTJZSA-N 1 0 371.912 4.165 50 0 FIAARO C[C@@H]1CN(C(=O)c2cccc(-c3ccc4cc(O)ccc4c3)c2)[C@@H](C)C[NH2+]1 ZINC000426494311 571228219 /nfs/dbraw/zinc/22/82/19/571228219.db2.gz CXNJLXZXTSMTCU-CVEARBPZSA-N 1 0 360.457 4.035 50 0 FIAARO Cc1cccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCC3)cc2)n1 ZINC000426545199 571231262 /nfs/dbraw/zinc/23/12/62/571231262.db2.gz UGAZLSMJGMDEJM-UHFFFAOYSA-N 1 0 351.494 4.003 50 0 FIAARO CO[C@]12CC[N@H+](Cc3ccc4ccn(C)c4c3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426589765 571232579 /nfs/dbraw/zinc/23/25/79/571232579.db2.gz LFGVJKQSTZOBOX-ACIOBRDBSA-N 1 0 368.521 4.117 50 0 FIAARO Cc1c2ccccc2oc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000426701436 571235748 /nfs/dbraw/zinc/23/57/48/571235748.db2.gz OQFBDUOXDJHFTD-FQEVSTJZSA-N 1 0 374.484 4.380 50 0 FIAARO Cc1cc(-c2ccc(C(=O)N(C)Cc3ccccc3C[NH+](C)C)cc2)ccn1 ZINC000426728258 571236746 /nfs/dbraw/zinc/23/67/46/571236746.db2.gz JLMVGWVGYPDTTD-UHFFFAOYSA-N 1 0 373.500 4.391 50 0 FIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(-c2cccs2)c1 ZINC000064676017 571238701 /nfs/dbraw/zinc/23/87/01/571238701.db2.gz FRFFCKDKAUUFMM-QGZVFWFLSA-N 1 0 357.523 4.195 50 0 FIAARO Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c(C)c1 ZINC000064761141 571241392 /nfs/dbraw/zinc/24/13/92/571241392.db2.gz NILDGPCXCJMPAR-UHFFFAOYSA-N 1 0 362.477 4.001 50 0 FIAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(C3CCCC3)s1)CC2 ZINC000091725156 571242992 /nfs/dbraw/zinc/24/29/92/571242992.db2.gz PMXXUZCLHVGMSD-UHFFFAOYSA-N 1 0 370.566 4.108 50 0 FIAARO C[NH+]1CCN(c2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2)CC1 ZINC000036149633 571243673 /nfs/dbraw/zinc/24/36/73/571243673.db2.gz GWGBHKVWZYRJNP-UHFFFAOYSA-N 1 0 371.912 4.053 50 0 FIAARO CC[N@@H+]1CCC[C@](C(=O)Nc2ccc(OC)cc2)(c2ccccc2)CC1 ZINC000065226041 571257118 /nfs/dbraw/zinc/25/71/18/571257118.db2.gz JNAVITUHXDGACT-JOCHJYFZSA-N 1 0 352.478 4.078 50 0 FIAARO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065565259 571264508 /nfs/dbraw/zinc/26/45/08/571264508.db2.gz VXJZMYYHXCDGFC-HNNXBMFYSA-N 1 0 355.309 4.013 50 0 FIAARO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000170623266 571269175 /nfs/dbraw/zinc/26/91/75/571269175.db2.gz HYFHGLFWBCGZNM-LLVKDONJSA-N 1 0 362.246 4.185 50 0 FIAARO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc2c(c1)OCCO2 ZINC000252499933 571281154 /nfs/dbraw/zinc/28/11/54/571281154.db2.gz SJKHTIQIARXALY-JOCHJYFZSA-N 1 0 369.509 4.184 50 0 FIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-n2cccc2)ccc1Cl ZINC000252570362 571283610 /nfs/dbraw/zinc/28/36/10/571283610.db2.gz WNKWXSRAMBWISV-OXQOHEQNSA-N 1 0 371.912 4.125 50 0 FIAARO Cc1ccc2nc(C[N@@H+](Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n2c1 ZINC000007797593 571289274 /nfs/dbraw/zinc/28/92/74/571289274.db2.gz KVGIHTWEUQXUJX-UHFFFAOYSA-N 1 0 361.489 4.291 50 0 FIAARO CNc1ccc(-c2ccc(C(=O)N(C)CC[NH+]3CCCCCC3)cc2)cc1 ZINC000584886016 571313699 /nfs/dbraw/zinc/31/36/99/571313699.db2.gz MJWDDSQNTJXQHT-UHFFFAOYSA-N 1 0 365.521 4.343 50 0 FIAARO Brc1ccc(C[NH2+]CCCn2cnc3ccccc32)s1 ZINC000019986143 571327811 /nfs/dbraw/zinc/32/78/11/571327811.db2.gz PWNAPLCSZZLBSB-UHFFFAOYSA-N 1 0 350.285 4.040 50 0 FIAARO C[NH+](C)CC/C=C1\c2ccccc2Sc2ccc(N3CCOCC3)cc21 ZINC000095751816 571331835 /nfs/dbraw/zinc/33/18/35/571331835.db2.gz KFHZHAJDFRSZCL-CNHKJKLMSA-N 1 0 366.530 4.371 50 0 FIAARO CCCC[C@@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868533 571331836 /nfs/dbraw/zinc/33/18/36/571331836.db2.gz IQLMCZGEEIPFOI-DNQXCXABSA-N 1 0 367.533 4.489 50 0 FIAARO Cc1ccc(-c2cccc3c(C(=O)NCC[NH+]4CCCC4)cc(C)nc23)cc1 ZINC000021535103 571334937 /nfs/dbraw/zinc/33/49/37/571334937.db2.gz QDSFGGFQHSKADZ-UHFFFAOYSA-N 1 0 373.500 4.344 50 0 FIAARO O=C(c1cccc2ccccc21)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687020 571337797 /nfs/dbraw/zinc/33/77/97/571337797.db2.gz DQUUMPGFUOQWDW-NRFANRHFSA-N 1 0 356.469 4.113 50 0 FIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000056342989 571340439 /nfs/dbraw/zinc/34/04/39/571340439.db2.gz FWNPKUIEMJRGNI-UHFFFAOYSA-N 1 0 372.469 4.031 50 0 FIAARO C[NH+](C)CCOc1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000056664290 571341408 /nfs/dbraw/zinc/34/14/08/571341408.db2.gz GOAJRMSECGPVOJ-LJQANCHMSA-N 1 0 373.884 4.089 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c(C)c1 ZINC000002933966 571341964 /nfs/dbraw/zinc/34/19/64/571341964.db2.gz FBFRHJCDBDMRLQ-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000002934059 571341985 /nfs/dbraw/zinc/34/19/85/571341985.db2.gz DHVYVXGBPUNUCD-KRWDZBQOSA-N 1 0 370.566 4.274 50 0 FIAARO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000057383483 571343047 /nfs/dbraw/zinc/34/30/47/571343047.db2.gz LTNUFKMUXOUMMM-FQEVSTJZSA-N 1 0 373.884 4.224 50 0 FIAARO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057383319 571343069 /nfs/dbraw/zinc/34/30/69/571343069.db2.gz ZFWYNXFALQQWRS-SFHVURJKSA-N 1 0 374.484 4.329 50 0 FIAARO COc1ccccc1NC(=O)[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057406361 571343196 /nfs/dbraw/zinc/34/31/96/571343196.db2.gz ITFMWEPQFUROGY-KRWDZBQOSA-N 1 0 360.457 4.401 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c1 ZINC000003036817 571343880 /nfs/dbraw/zinc/34/38/80/571343880.db2.gz FVFCNFWRWXDJGX-CQSZACIVSA-N 1 0 363.552 4.323 50 0 FIAARO C[C@@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000003049923 571344173 /nfs/dbraw/zinc/34/41/73/571344173.db2.gz LIOVGLGLTNYDNN-AWEZNQCLSA-N 1 0 362.930 4.057 50 0 FIAARO COc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c21)[NH+](C)C ZINC000003456083 571350025 /nfs/dbraw/zinc/35/00/25/571350025.db2.gz ILSBBOYTMAJXHE-HNNXBMFYSA-N 1 0 356.495 4.032 50 0 FIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@H+](C)CCc1ccccn1 ZINC000003999486 571353753 /nfs/dbraw/zinc/35/37/53/571353753.db2.gz HVDXBYCQTJYUKM-LUBSMZHTSA-N 1 0 368.521 4.014 50 0 biogenic FIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)Cc4ccccc4)[C@H]3C=C12 ZINC000004073793 571354773 /nfs/dbraw/zinc/35/47/73/571354773.db2.gz OFXZQIJQJISEJF-IVVFSKFDSA-N 1 0 353.506 4.433 50 0 biogenic FIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)Cc4ccccc4)[C@H]3C=C12 ZINC000004084382 571354944 /nfs/dbraw/zinc/35/49/44/571354944.db2.gz XXGSVFUSBZGYSU-LUBSMZHTSA-N 1 0 351.490 4.353 50 0 biogenic FIAARO CC[C@@H](CNC(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032447555 571357579 /nfs/dbraw/zinc/35/75/79/571357579.db2.gz KQFPXAKEDNFCTR-INIZCTEOSA-N 1 0 360.860 4.046 50 0 FIAARO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1Cl ZINC000008126494 571359160 /nfs/dbraw/zinc/35/91/60/571359160.db2.gz OSLHJPQJULJIJW-SFHVURJKSA-N 1 0 358.869 4.297 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1Br)[C@@H]1CCCc2ccccc21 ZINC000008126853 571359218 /nfs/dbraw/zinc/35/92/18/571359218.db2.gz LJDOBVVWYOYWNL-GOSISDBHSA-N 1 0 373.294 4.397 50 0 FIAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000581807911 1084614334 /nfs/dbraw/zinc/61/43/34/1084614334.db2.gz SSKSEVHXHHBVBQ-LJQANCHMSA-N 1 0 368.431 4.369 50 0 FIAARO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000098007777 1088721095 /nfs/dbraw/zinc/72/10/95/1088721095.db2.gz IUXWWYNSGXOWSA-HYDLDTBVSA-N 1 0 370.493 4.310 50 0 FIAARO [O-]c1c(C[NH+]2CCCCC2)cc(C[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000003877551 1088744035 /nfs/dbraw/zinc/74/40/35/1088744035.db2.gz DQQXHXLOHVKCSN-UHFFFAOYSA-N 1 0 365.521 4.426 50 0 FIAARO CSc1ccccc1C(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000020601438 1089685625 /nfs/dbraw/zinc/68/56/25/1089685625.db2.gz LCRJBUMUSQHSRI-QGZVFWFLSA-N 1 0 360.567 4.176 50 0 FIAARO C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000106133226 1091623336 /nfs/dbraw/zinc/62/33/36/1091623336.db2.gz DUYYCHVSCIUKRF-WOJBJXKFSA-N 1 0 371.912 4.017 50 0 FIAARO CC(C)[NH2+]C[C@@]1(O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000299872774 1091720435 /nfs/dbraw/zinc/72/04/35/1091720435.db2.gz HMILSMGINCXLBS-QCOUAHKTSA-N 1 0 363.586 4.119 50 0 FIAARO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000271886384 1096138214 /nfs/dbraw/zinc/13/82/14/1096138214.db2.gz QTMMNURJVPMEMI-FCHUYYIVSA-N 1 0 363.505 4.002 50 0 FIAARO C[C@H](O)c1cc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1F ZINC000285362714 1098676875 /nfs/dbraw/zinc/67/68/75/1098676875.db2.gz BNULKAMGPQXCSZ-INIZCTEOSA-N 1 0 371.500 4.022 50 0 FIAARO CC(C)c1cccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)n1 ZINC000120840113 1100845129 /nfs/dbraw/zinc/84/51/29/1100845129.db2.gz DYWKEIXKRANJHA-UHFFFAOYSA-N 1 0 353.510 4.021 50 0 FIAARO CC(C)c1ccc(C2(O)CCC([NH2+]Cc3cnc4n3CCCC4)CC2)cc1 ZINC000793566259 1113308487 /nfs/dbraw/zinc/30/84/87/1113308487.db2.gz SZLPHRQILWYGIQ-UHFFFAOYSA-N 1 0 367.537 4.263 50 0 FIAARO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000175402240 1123856889 /nfs/dbraw/zinc/85/68/89/1123856889.db2.gz VBMIBKDKBGXKBX-UHFFFAOYSA-N 1 0 369.509 4.229 50 0 FIAARO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000175678155 1123950157 /nfs/dbraw/zinc/95/01/57/1123950157.db2.gz PIHVDXQUUPMMHZ-ZDUSSCGKSA-N 1 0 367.896 4.246 50 0 FIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC000011874448 1125405286 /nfs/dbraw/zinc/40/52/86/1125405286.db2.gz QEPDEESHPAOVON-UHFFFAOYSA-N 1 0 354.494 4.124 50 0 FIAARO O=C(OC1[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](CCc3ccccc3)C[C@H]21)c1ccccc1 ZINC000001009788 219352324 /nfs/dbraw/zinc/35/23/24/219352324.db2.gz MWVAYBRVMWOVBX-UKTKTSIOSA-N 1 0 361.485 4.043 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=S)Nc1cccc(F)c1 ZINC000003999495 209406203 /nfs/dbraw/zinc/40/62/03/209406203.db2.gz BKNGBUQFFHWDRU-HKUYNNGSSA-N 1 0 355.482 4.139 50 0 biogenic FIAARO CC[NH+](CC)CCCNC(=O)C[C@@H](CCC(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004086209 209410333 /nfs/dbraw/zinc/41/03/33/209410333.db2.gz OVLXPNIOIDLIFE-WOJBJXKFSA-N 1 0 368.606 4.482 50 0 biogenic FIAARO O=C(C[C@H]1CCc2ccccc21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000115338418 209342817 /nfs/dbraw/zinc/34/28/17/209342817.db2.gz PUDQDZRVPQNUBK-LJQANCHMSA-N 1 0 366.480 4.026 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044225435 209316463 /nfs/dbraw/zinc/31/64/63/209316463.db2.gz RSNTWSUOUOVUNP-QFIPXVFZSA-N 1 0 373.500 4.378 50 0 FIAARO COCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cn1 ZINC000102006349 209231752 /nfs/dbraw/zinc/23/17/52/209231752.db2.gz AZWODWNEZOJOPS-ACDBMABISA-N 1 0 369.484 4.024 50 0 FIAARO C[C@H](c1ccc(C(=O)NCc2ccc3[nH]ccc3c2)o1)[NH+]1CCCCC1 ZINC000097785485 209197060 /nfs/dbraw/zinc/19/70/60/209197060.db2.gz PBUAQFRSZZMGQE-OAHLLOKOSA-N 1 0 351.450 4.238 50 0 FIAARO Fc1ccc(COc2ccc(-c3nc4c([nH]3)C[NH2+]CC4)cc2Cl)cc1 ZINC000097696390 209193422 /nfs/dbraw/zinc/19/34/22/209193422.db2.gz GQABBIYBPCXHEE-UHFFFAOYSA-N 1 0 357.816 4.094 50 0 FIAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000097155661 209172933 /nfs/dbraw/zinc/17/29/33/209172933.db2.gz DEUISSZVGZPDSN-UHFFFAOYSA-N 1 0 352.478 4.007 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cccc2ccccc12)c1ccsc1 ZINC000097026863 209166831 /nfs/dbraw/zinc/16/68/31/209166831.db2.gz WCFLZWKQTZPMDR-PISNEZEASA-N 1 0 350.487 4.334 50 0 FIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3coc(C)n3)CC2)C1 ZINC000096142111 209122033 /nfs/dbraw/zinc/12/20/33/209122033.db2.gz RGEXKVRDDOAGRK-FQEVSTJZSA-N 1 0 353.510 4.075 50 0 FIAARO Cc1cc(N2CCCN(c3ccc4cccc(Cl)c4n3)CC2)cc[nH+]1 ZINC000096131408 209116451 /nfs/dbraw/zinc/11/64/51/209116451.db2.gz RZOHWPVCVGXWEQ-UHFFFAOYSA-N 1 0 352.869 4.308 50 0 FIAARO CCCC[NH+](CCCC)C[C@H](O)COc1ccccc1Br ZINC000002989250 206950414 /nfs/dbraw/zinc/95/04/14/206950414.db2.gz IGUJMMUHKHOLFA-HNNXBMFYSA-N 1 0 358.320 4.091 50 0 FIAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccco3)sc2c1 ZINC000004359666 207015076 /nfs/dbraw/zinc/01/50/76/207015076.db2.gz UMHROZMYMWDTJJ-UHFFFAOYSA-N 1 0 357.479 4.050 50 0 FIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000004510540 207023330 /nfs/dbraw/zinc/02/33/30/207023330.db2.gz HKOFYQMCTLNRRX-KRWDZBQOSA-N 1 0 361.869 4.196 50 0 FIAARO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004554022 207027542 /nfs/dbraw/zinc/02/75/42/207027542.db2.gz PIAFPXSBGJJXFL-SFHVURJKSA-N 1 0 371.506 4.342 50 0 FIAARO O=C(OC1[C@@H]2CC[C@H]1[C@@H]1C[N@@H+](CCc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000004648866 207033906 /nfs/dbraw/zinc/03/39/06/207033906.db2.gz MWVAYBRVMWOVBX-PCFDSBEJSA-N 1 0 361.485 4.043 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000004744984 207044225 /nfs/dbraw/zinc/04/42/25/207044225.db2.gz ODKJLLMWPQUVSQ-JOCHJYFZSA-N 1 0 350.506 4.120 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000004863054 207055901 /nfs/dbraw/zinc/05/59/01/207055901.db2.gz VTJAYVRBDLHSKT-IBGZPJMESA-N 1 0 367.880 4.305 50 0 FIAARO CCCC[N@H+](CC)CCNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004902195 207060067 /nfs/dbraw/zinc/06/00/67/207060067.db2.gz YJXHHFIAOUNQMZ-UHFFFAOYSA-N 1 0 353.466 4.141 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1cccnc1 ZINC000004999717 207071626 /nfs/dbraw/zinc/07/16/26/207071626.db2.gz AZDBMOVAUSQQHQ-UHFFFAOYSA-N 1 0 369.852 4.007 50 0 FIAARO COc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1OC ZINC000005321597 207093232 /nfs/dbraw/zinc/09/32/32/207093232.db2.gz HNHWUUZVRGYAAB-HIGJEIRPSA-N 1 0 359.510 4.407 50 0 FIAARO CCN(CC)c1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=[NH2+])oc2c1 ZINC000006517588 207143328 /nfs/dbraw/zinc/14/33/28/207143328.db2.gz UWZUQVOWGKLWLO-OAHLLOKOSA-N 1 0 363.461 4.249 50 0 FIAARO COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c32)[NH+](C)C)cc1 ZINC000006628143 207150347 /nfs/dbraw/zinc/15/03/47/207150347.db2.gz HGLOPJZRUUMYDY-MRXNPFEDSA-N 1 0 356.495 4.032 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@H](O)c1ccccc1 ZINC000006650897 207152226 /nfs/dbraw/zinc/15/22/26/207152226.db2.gz VBEJDLNCOXHEHT-NRFANRHFSA-N 1 0 363.457 4.097 50 0 FIAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc(C)cc2Cl)CC1 ZINC000006703766 207156227 /nfs/dbraw/zinc/15/62/27/207156227.db2.gz UWGORDZOXVCJSZ-UHFFFAOYSA-N 1 0 353.890 4.083 50 0 FIAARO CCC[NH+](CCC)CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000006809346 207168856 /nfs/dbraw/zinc/16/88/56/207168856.db2.gz TUYUEFAXZVWOPB-UHFFFAOYSA-N 1 0 360.889 4.043 50 0 FIAARO O=C1CC[C@](c2ccccc2)(C2CC[NH+](Cc3ccccc3)CC2)C(=O)N1 ZINC000006927491 207178982 /nfs/dbraw/zinc/17/89/82/207178982.db2.gz LQQIVYSCPWCSSD-QHCPKHFHSA-N 1 0 362.473 4.114 50 0 in-man FIAARO C[NH+](C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006871435 207173917 /nfs/dbraw/zinc/17/39/17/207173917.db2.gz DOTUSJHFTWOYTG-UHFFFAOYSA-N 1 0 357.461 4.061 50 0 FIAARO CSCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007448477 207196316 /nfs/dbraw/zinc/19/63/16/207196316.db2.gz HRPPAERJKCTOSJ-UHFFFAOYSA-N 1 0 368.546 4.466 50 0 FIAARO C[C@@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000008133978 207221306 /nfs/dbraw/zinc/22/13/06/207221306.db2.gz HIGYNHOOMUIOPA-GOSISDBHSA-N 1 0 363.505 4.457 50 0 FIAARO C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000008178094 207222187 /nfs/dbraw/zinc/22/21/87/207222187.db2.gz ASYPRCISUWDMIC-UHFFFAOYSA-N 1 0 358.898 4.154 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000008614039 207239071 /nfs/dbraw/zinc/23/90/71/207239071.db2.gz KPOMOQCZFUZOEG-QGZVFWFLSA-N 1 0 357.885 4.292 50 0 FIAARO CCC[NH+]1CCC(Nc2nc3c(Cl)c(C)nn3c3ccccc32)CC1 ZINC000009364285 207268500 /nfs/dbraw/zinc/26/85/00/207268500.db2.gz NTHKAUXNAXCCGM-UHFFFAOYSA-N 1 0 357.889 4.131 50 0 FIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000011700014 207318425 /nfs/dbraw/zinc/31/84/25/207318425.db2.gz CLKAJJGHIHVTLO-OAHLLOKOSA-N 1 0 371.864 4.472 50 0 FIAARO C/C=C(\C)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000011760788 207320440 /nfs/dbraw/zinc/32/04/40/207320440.db2.gz VVPZQCFFOAQWLI-PWTCPNTCSA-N 1 0 355.507 4.427 50 0 FIAARO CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)Cc2cc(OC)ccc2O1 ZINC000011789441 207322677 /nfs/dbraw/zinc/32/26/77/207322677.db2.gz CUESMQAWDHBZHF-IBGZPJMESA-N 1 0 363.461 4.259 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011932947 207329583 /nfs/dbraw/zinc/32/95/83/207329583.db2.gz ZNHOFYCTVQSROP-JOCHJYFZSA-N 1 0 357.469 4.042 50 0 FIAARO COc1cccc(CC2(CO)CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 ZINC000011934608 207330681 /nfs/dbraw/zinc/33/06/81/207330681.db2.gz LGNHQCPGFAVBQG-UNMCSNQZSA-N 1 0 369.549 4.305 50 0 FIAARO CC(C)n1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c2ccccc21 ZINC000011938589 207330974 /nfs/dbraw/zinc/33/09/74/207330974.db2.gz SXWZLUVMENLASP-SFHVURJKSA-N 1 0 367.537 4.493 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cnn1C ZINC000011946619 207331130 /nfs/dbraw/zinc/33/11/30/207331130.db2.gz ZOWGFFSQKOPOMI-SFHVURJKSA-N 1 0 353.510 4.121 50 0 FIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC000011997445 207332515 /nfs/dbraw/zinc/33/25/15/207332515.db2.gz YBOYCGVUOLHOIT-UHFFFAOYSA-N 1 0 359.510 4.257 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cc(F)ccc2C)c1 ZINC000011839450 207324522 /nfs/dbraw/zinc/32/45/22/207324522.db2.gz IMMINYATICSFDH-OAQYLSRUSA-N 1 0 354.469 4.113 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1C ZINC000011844591 207324996 /nfs/dbraw/zinc/32/49/96/207324996.db2.gz KKZGAJQJDMDVKM-KRWDZBQOSA-N 1 0 359.901 4.350 50 0 FIAARO CC(=O)c1cccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1 ZINC000011840716 207325419 /nfs/dbraw/zinc/32/54/19/207325419.db2.gz SYBXYIFXLISNCT-UHFFFAOYSA-N 1 0 371.908 4.360 50 0 FIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011844298 207326057 /nfs/dbraw/zinc/32/60/57/207326057.db2.gz KYGDESMTSUOIRN-INIZCTEOSA-N 1 0 373.880 4.458 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)cc1)c1ccccc1Cl ZINC000011916187 207329121 /nfs/dbraw/zinc/32/91/21/207329121.db2.gz YBQVWFOOICKUIV-IBGZPJMESA-N 1 0 360.885 4.162 50 0 biogenic FIAARO Cc1ccc2nc(OCc3ccccc3Cl)c(C[NH2+]C[C@@H](C)O)cc2c1 ZINC000012149423 207344328 /nfs/dbraw/zinc/34/43/28/207344328.db2.gz SXPANEOWRTZZOC-OAHLLOKOSA-N 1 0 370.880 4.246 50 0 FIAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCC(F)(F)F)C2)cc1 ZINC000012192046 207346636 /nfs/dbraw/zinc/34/66/36/207346636.db2.gz SMOHDPZZXDYOAH-SFHVURJKSA-N 1 0 370.459 4.308 50 0 FIAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012193304 207346929 /nfs/dbraw/zinc/34/69/29/207346929.db2.gz RZRWAZUCXFJEBE-OAHLLOKOSA-N 1 0 362.420 4.319 50 0 FIAARO OCC[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)Cc1ccccc1 ZINC000012302059 207356070 /nfs/dbraw/zinc/35/60/70/207356070.db2.gz ILONJZMLJCBOMH-UHFFFAOYSA-N 1 0 357.457 4.224 50 0 FIAARO c1ccc(CC[N@@H+]2CCC[C@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000012300692 207356910 /nfs/dbraw/zinc/35/69/10/207356910.db2.gz FCXLPAOOKPMCFB-DEOSSOPVSA-N 1 0 374.532 4.094 50 0 FIAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000012305337 207357503 /nfs/dbraw/zinc/35/75/03/207357503.db2.gz IDJGDZHBKBTDJC-IBGZPJMESA-N 1 0 356.514 4.166 50 0 FIAARO CC1(C)C[C@@H](C[NH2+]Cc2cccnc2Oc2ccc(F)cc2F)CCO1 ZINC000012318948 207360819 /nfs/dbraw/zinc/36/08/19/207360819.db2.gz DORZBGSURBJRKO-AWEZNQCLSA-N 1 0 362.420 4.447 50 0 FIAARO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000012315503 207358995 /nfs/dbraw/zinc/35/89/95/207358995.db2.gz BXDDNRMSUMTOQS-UHFFFAOYSA-N 1 0 374.488 4.433 50 0 FIAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012320853 207361957 /nfs/dbraw/zinc/36/19/57/207361957.db2.gz JNLQXSJBKYLDFK-UHFFFAOYSA-N 1 0 365.477 4.491 50 0 FIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC000012387266 207367745 /nfs/dbraw/zinc/36/77/45/207367745.db2.gz QEWLWXIOEQFHGZ-UHFFFAOYSA-N 1 0 354.494 4.422 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cccs2)C1 ZINC000012441951 207377609 /nfs/dbraw/zinc/37/76/09/207377609.db2.gz VUMJCHWLHBSKIZ-GOSISDBHSA-N 1 0 356.535 4.083 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000012447892 207379726 /nfs/dbraw/zinc/37/97/26/207379726.db2.gz NBXDZNGKUKGCQX-UHFFFAOYSA-N 1 0 366.505 4.250 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c(C)n1 ZINC000012457039 207382023 /nfs/dbraw/zinc/38/20/23/207382023.db2.gz CEBWFLSZYMTKFO-INIZCTEOSA-N 1 0 359.901 4.268 50 0 FIAARO c1oc(-c2ccccc2)nc1CN1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000012593247 207398583 /nfs/dbraw/zinc/39/85/83/207398583.db2.gz FXAILLPDWARYCL-HSZRJFAPSA-N 1 0 365.521 4.430 50 0 FIAARO CC(=O)c1cccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c1 ZINC000012835505 207426315 /nfs/dbraw/zinc/42/63/15/207426315.db2.gz PELSOMZQLWXSCF-UHFFFAOYSA-N 1 0 365.517 4.487 50 0 FIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000012980872 207444634 /nfs/dbraw/zinc/44/46/34/207444634.db2.gz BJASNTHHTCQTOS-OAHLLOKOSA-N 1 0 368.868 4.123 50 0 FIAARO CCOc1ccccc1CNc1nc2ccccc2n1CC[NH+](CC)CC ZINC000013749740 207483991 /nfs/dbraw/zinc/48/39/91/207483991.db2.gz SMFADWOMAXANFN-UHFFFAOYSA-N 1 0 366.509 4.389 50 0 FIAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]Cc4cccs4)CC3)nc2c1 ZINC000014955698 207532750 /nfs/dbraw/zinc/53/27/50/207532750.db2.gz UUYJZNGGMVIQSB-KRWDZBQOSA-N 1 0 366.534 4.457 50 0 FIAARO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014962119 207533516 /nfs/dbraw/zinc/53/35/16/207533516.db2.gz KZTLACAJFKTBIN-GOSISDBHSA-N 1 0 353.510 4.014 50 0 FIAARO Cc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015726919 207562631 /nfs/dbraw/zinc/56/26/31/207562631.db2.gz SAFAGCXLFULEEN-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO CC[NH+](CC)CCCNc1ccc(-c2ccc(Br)cc2)nn1 ZINC000020723817 207752580 /nfs/dbraw/zinc/75/25/80/207752580.db2.gz YUXLHDXVSCRXJU-UHFFFAOYSA-N 1 0 363.303 4.050 50 0 FIAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022335618 207804368 /nfs/dbraw/zinc/80/43/68/207804368.db2.gz SLWNLEZVSFIJSO-AWEZNQCLSA-N 1 0 363.889 4.235 50 0 FIAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1cccc(F)c1 ZINC000022343101 207805376 /nfs/dbraw/zinc/80/53/76/207805376.db2.gz ZXVQTFUOXFSJGQ-CQSZACIVSA-N 1 0 361.461 4.029 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000021869875 207785717 /nfs/dbraw/zinc/78/57/17/207785717.db2.gz QVJFYTNJYMDNMN-INIZCTEOSA-N 1 0 367.276 4.035 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000032819104 208046792 /nfs/dbraw/zinc/04/67/92/208046792.db2.gz GFXGJDHAQDEQHE-SFHVURJKSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000032851171 208048762 /nfs/dbraw/zinc/04/87/62/208048762.db2.gz XOBXQPGBNIFEMG-UHFFFAOYSA-N 1 0 367.533 4.453 50 0 FIAARO Cc1ccc(-c2noc3ncnc(NCC[N@@H+](C)C4CCCCC4)c32)cc1 ZINC000033269108 208078881 /nfs/dbraw/zinc/07/88/81/208078881.db2.gz YXHKRCCVDZYXQD-UHFFFAOYSA-N 1 0 365.481 4.270 50 0 FIAARO CCOc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312144 208084499 /nfs/dbraw/zinc/08/44/99/208084499.db2.gz CSRCPPBUNSCRQH-QGZVFWFLSA-N 1 0 359.514 4.061 50 0 FIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(CC)cc3)c2)C1 ZINC000034670394 208104695 /nfs/dbraw/zinc/10/46/95/208104695.db2.gz KNNDZQOQNPGBRF-HXUWFJFHSA-N 1 0 352.478 4.086 50 0 FIAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095405 208142675 /nfs/dbraw/zinc/14/26/75/208142675.db2.gz IIEXFEKHPYOOCR-IBGZPJMESA-N 1 0 365.876 4.377 50 0 FIAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104281 208144970 /nfs/dbraw/zinc/14/49/70/208144970.db2.gz FQKXMZRLEXJKBP-JOCHJYFZSA-N 1 0 365.448 4.268 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036101832 208146115 /nfs/dbraw/zinc/14/61/15/208146115.db2.gz BMEANQPHAINZRF-QUCCMNQESA-N 1 0 357.494 4.044 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)cc1 ZINC000036101991 208146989 /nfs/dbraw/zinc/14/69/89/208146989.db2.gz XENFZVNOJDPDJA-OAQYLSRUSA-N 1 0 359.485 4.312 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc(C)cc1 ZINC000036343676 208154468 /nfs/dbraw/zinc/15/44/68/208154468.db2.gz JXFIQZDWWWODGH-NRFANRHFSA-N 1 0 367.468 4.154 50 0 FIAARO O=C(c1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1)N1CCCC1 ZINC000037547290 208181885 /nfs/dbraw/zinc/18/18/85/208181885.db2.gz GTAQVJLOHZXIJN-UHFFFAOYSA-N 1 0 362.517 4.377 50 0 FIAARO Cc1cc(C)n(CC2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000075154719 208192758 /nfs/dbraw/zinc/19/27/58/208192758.db2.gz OEHMIPBYIXSGRO-UHFFFAOYSA-N 1 0 362.315 4.175 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc2cccnc21)c1ccsc1 ZINC000040089494 208225181 /nfs/dbraw/zinc/22/51/81/208225181.db2.gz SLWVDIMZEDVMDE-GOSISDBHSA-N 1 0 353.491 4.109 50 0 FIAARO CC(C)c1ccc(OCC(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000040090885 208225930 /nfs/dbraw/zinc/22/59/30/208225930.db2.gz NTQKXBFKMNHMHP-UHFFFAOYSA-N 1 0 352.478 4.423 50 0 FIAARO Cc1onc(-c2ccccc2)c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000040154760 208237610 /nfs/dbraw/zinc/23/76/10/208237610.db2.gz RVGDNIJHGKYOKT-IRXDYDNUSA-N 1 0 369.509 4.138 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000040403422 208250210 /nfs/dbraw/zinc/25/02/10/208250210.db2.gz ABFAEDCRHXYKED-ICSRJNTNSA-N 1 0 357.494 4.044 50 0 FIAARO Brc1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772171 208296182 /nfs/dbraw/zinc/29/61/82/208296182.db2.gz HWYVIOVDMNSLNM-LLVKDONJSA-N 1 0 363.093 4.123 50 0 FIAARO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1 ZINC000045463020 208334461 /nfs/dbraw/zinc/33/44/61/208334461.db2.gz PKNXQKYNIVLAEB-GOSISDBHSA-N 1 0 351.922 4.211 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)cc1OC ZINC000045004521 208325872 /nfs/dbraw/zinc/32/58/72/208325872.db2.gz KBQOFIFHYZHLDA-FQEVSTJZSA-N 1 0 363.461 4.227 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000046049596 208357216 /nfs/dbraw/zinc/35/72/16/208357216.db2.gz SEXWRVOTXGXOQV-AWEZNQCLSA-N 1 0 354.947 4.057 50 0 FIAARO CC[NH+](CC)Cc1ccccc1NC(=O)N(C)Cc1ccc(OC)cc1 ZINC000047568498 208380783 /nfs/dbraw/zinc/38/07/83/208380783.db2.gz OVOZBDHRQABYTC-UHFFFAOYSA-N 1 0 355.482 4.201 50 0 FIAARO Fc1ccc(/C=C/C[NH+]2CCC(n3cc(C4CCCC4)nn3)CC2)cc1 ZINC000055042264 208461988 /nfs/dbraw/zinc/46/19/88/208461988.db2.gz TTWVNLYASWKJNC-ONEGZZNKSA-N 1 0 354.473 4.425 50 0 FIAARO O=C(CCc1ccccc1)NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000057985538 208515610 /nfs/dbraw/zinc/51/56/10/208515610.db2.gz QYIXRLUGGVTATB-QHCPKHFHSA-N 1 0 362.517 4.277 50 0 FIAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2c(C)n(CC)c3ccccc23)CC1 ZINC000064669877 208618376 /nfs/dbraw/zinc/61/83/76/208618376.db2.gz JCEHTKSMMRLJJB-INIZCTEOSA-N 1 0 355.526 4.096 50 0 FIAARO Cc1cccc(-c2ncc(CNCc3cccc(C[NH+]4CCCC4)c3)cn2)c1 ZINC000063857320 208609872 /nfs/dbraw/zinc/60/98/72/208609872.db2.gz NDFSGGCXARTHAF-UHFFFAOYSA-N 1 0 372.516 4.338 50 0 FIAARO O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072149856 208812499 /nfs/dbraw/zinc/81/24/99/208812499.db2.gz XKLHRLNFPJXFFA-INIZCTEOSA-N 1 0 358.445 4.154 50 0 FIAARO COc1c(F)cc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000072167327 208819338 /nfs/dbraw/zinc/81/93/38/208819338.db2.gz RAPAQNWMRLBTMJ-UHFFFAOYSA-N 1 0 362.876 4.114 50 0 FIAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000095385634 209044142 /nfs/dbraw/zinc/04/41/42/209044142.db2.gz NXHXVJRWXYVBRN-CQSZACIVSA-N 1 0 360.383 4.479 50 0 FIAARO Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095389221 209045373 /nfs/dbraw/zinc/04/53/73/209045373.db2.gz JRFUSMIRKJETKB-GHTZIAJQSA-N 1 0 356.460 4.370 50 0 FIAARO Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)oc21 ZINC000095368575 209033774 /nfs/dbraw/zinc/03/37/74/209033774.db2.gz IGAIIUFPTUKOAM-PZJWPPBQSA-N 1 0 374.484 4.478 50 0 FIAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000095376969 209038874 /nfs/dbraw/zinc/03/88/74/209038874.db2.gz JUFGEWHXUYEDPB-QFIPXVFZSA-N 1 0 350.506 4.199 50 0 FIAARO Cc1nc2ccccc2nc1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095386382 209043630 /nfs/dbraw/zinc/04/36/30/209043630.db2.gz XQZNEMZCMDKQQB-LEWJYISDSA-N 1 0 372.516 4.035 50 0 FIAARO CN(C)C[C@@H]([NH2+]Cc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000095406253 209049412 /nfs/dbraw/zinc/04/94/12/209049412.db2.gz WRQIOPUOMJVHBX-OAQYLSRUSA-N 1 0 370.500 4.394 50 0 FIAARO CC(C)c1cc(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)n(C)n1 ZINC000095455900 209052297 /nfs/dbraw/zinc/05/22/97/209052297.db2.gz CWTZBTJDFCJDJF-UHFFFAOYSA-N 1 0 368.525 4.070 50 0 FIAARO CCc1nc(C)sc1CNC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000095504067 209063832 /nfs/dbraw/zinc/06/38/32/209063832.db2.gz UEKPGZYRKYJDFF-UHFFFAOYSA-N 1 0 372.538 4.322 50 0 FIAARO C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000095943499 209088873 /nfs/dbraw/zinc/08/88/73/209088873.db2.gz HXVIOPYTQXPYCV-BEFAXECRSA-N 1 0 353.466 4.195 50 0 FIAARO C[C@@](O)(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000070009398 221330556 /nfs/dbraw/zinc/33/05/56/221330556.db2.gz JTDMWLQTBXHRFN-RBUKOAKNSA-N 1 0 364.411 4.099 50 0 FIAARO COc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c2ccccc12 ZINC000019634924 132889745 /nfs/dbraw/zinc/88/97/45/132889745.db2.gz GPSBIITVFBOJSI-UHFFFAOYSA-N 1 0 374.484 4.373 50 0 FIAARO Cc1ccc(N2CCC3(CCC[N@@H+]3Cc3ccc(Cl)s3)CC2)nn1 ZINC000072462574 136148742 /nfs/dbraw/zinc/14/87/42/136148742.db2.gz UFZLBDSVGICJBZ-UHFFFAOYSA-N 1 0 362.930 4.135 50 0 FIAARO c1ncc(-c2cccc(N3CCC([NH2+][C@H]4CCc5ccccc5C4)CC3)c2)o1 ZINC000023312293 136152615 /nfs/dbraw/zinc/15/26/15/136152615.db2.gz WEFYIYWMMHPDCI-QFIPXVFZSA-N 1 0 373.500 4.458 50 0 FIAARO Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095521892 209073596 /nfs/dbraw/zinc/07/35/96/209073596.db2.gz MQBMNFIZTDFWES-QFBILLFUSA-N 1 0 357.885 4.210 50 0 FIAARO CC(C)c1ncc(C[N@@H+]2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000095523864 209073831 /nfs/dbraw/zinc/07/38/31/209073831.db2.gz XMENEESEQKWICB-QFIPXVFZSA-N 1 0 367.493 4.174 50 0 FIAARO CCOC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095524834 209075573 /nfs/dbraw/zinc/07/55/73/209075573.db2.gz HLPJYWSHHXDKQE-IBGZPJMESA-N 1 0 359.514 4.085 50 0 FIAARO Cc1csc(CN(C)C(=O)Nc2ccccc2C[NH+]2CCCCC2)n1 ZINC000095529666 209078123 /nfs/dbraw/zinc/07/81/23/209078123.db2.gz WGDMIMOTQIBWHE-UHFFFAOYSA-N 1 0 358.511 4.101 50 0 FIAARO Cc1ncc(CN2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)cn1 ZINC000019743441 263375399 /nfs/dbraw/zinc/37/53/99/263375399.db2.gz BHTNMDCVYULGAA-QHCPKHFHSA-N 1 0 373.500 4.208 50 0 FIAARO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(-c3ncccc3Cl)cc2)CC1 ZINC000426658469 263652405 /nfs/dbraw/zinc/65/24/05/263652405.db2.gz PFQXMQZJUAZWRT-UHFFFAOYSA-N 1 0 371.912 4.206 50 0 FIAARO CC(=O)[C@@H]1[C@H]([NH+](C)C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499586 518210795 /nfs/dbraw/zinc/21/07/95/518210795.db2.gz KIIFJDKQTHOFGN-DEULOBTQSA-N 1 0 359.554 4.055 50 0 biogenic FIAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 ZINC000091636590 519437503 /nfs/dbraw/zinc/43/75/03/519437503.db2.gz CFNOBTBLCLUIBN-AZUAARDMSA-N 1 0 369.578 4.438 50 0 FIAARO CCOc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)nc1 ZINC000088496184 520970321 /nfs/dbraw/zinc/97/03/21/520970321.db2.gz BBAXOPLAZUFPEG-UHFFFAOYSA-N 1 0 363.461 4.260 50 0 FIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)cc1C ZINC000020997214 521789570 /nfs/dbraw/zinc/78/95/70/521789570.db2.gz NCHXSXQLKBNJAZ-INIZCTEOSA-N 1 0 358.507 4.172 50 0 FIAARO C[N@H+](Cc1ccsc1)Cc1cccc(-c2nc(C3CCC3)cc(=O)[nH]2)c1 ZINC000019850847 523484775 /nfs/dbraw/zinc/48/47/75/523484775.db2.gz UGVDILJHCAOPCS-UHFFFAOYSA-N 1 0 365.502 4.398 50 0 FIAARO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[NH2+][C@H](c1ccccc1)C(C)(C)C)C2=O ZINC000252444489 524363930 /nfs/dbraw/zinc/36/39/30/524363930.db2.gz MNRPXOCBBMECMK-IRMTXWDGSA-N 1 0 371.525 4.068 50 0 FIAARO Cc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019800357 524557404 /nfs/dbraw/zinc/55/74/04/524557404.db2.gz YRLCVVLOLNYUHG-UHFFFAOYSA-N 1 0 370.496 4.483 50 0 FIAARO COc1cccc(-c2cccc(N3CCC([NH2+]C4CCOCC4)CC3)c2)c1 ZINC000020599828 525714144 /nfs/dbraw/zinc/71/41/44/525714144.db2.gz BZVBTNRPVRAHOD-UHFFFAOYSA-N 1 0 366.505 4.100 50 0 FIAARO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252470001 526021977 /nfs/dbraw/zinc/02/19/77/526021977.db2.gz IFZOUZDBWPENAB-OKGBLQAJSA-N 1 0 358.551 4.359 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2c(s1)CCCC2 ZINC000247721668 526213329 /nfs/dbraw/zinc/21/33/29/526213329.db2.gz BHGQQHLLQVUZDL-IEBWSBKVSA-N 1 0 366.530 4.383 50 0 FIAARO O=C(CCCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCCC1 ZINC000020649597 526462770 /nfs/dbraw/zinc/46/27/70/526462770.db2.gz LMANFMIDZMPYFE-UHFFFAOYSA-N 1 0 367.537 4.420 50 0 FIAARO Clc1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)c(Cl)c1 ZINC000020477302 526932768 /nfs/dbraw/zinc/93/27/68/526932768.db2.gz GGPSNNYCBMONIT-KRWDZBQOSA-N 1 0 351.277 4.437 50 0 FIAARO COc1ccccc1N1CCN(C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000004398208 537068081 /nfs/dbraw/zinc/06/80/81/537068081.db2.gz YRBSCSSBIRSNAF-UHFFFAOYSA-N 1 0 371.569 4.004 50 0 FIAARO Cc1ccc(C)c(-c2n[nH]cc2CN(C)Cc2nnc(-c3ccccc3)o2)c1 ZINC000215373517 568066754 /nfs/dbraw/zinc/06/67/54/568066754.db2.gz PDPVDELWCPZIHL-UHFFFAOYSA-N 1 0 373.460 4.376 50 0 FIAARO COc1cc(OC)c(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000215607195 568079605 /nfs/dbraw/zinc/07/96/05/568079605.db2.gz MCYWUYSLICNTDS-HNNXBMFYSA-N 1 0 361.869 4.355 50 0 FIAARO CCOc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)cc1 ZINC000014949934 568122974 /nfs/dbraw/zinc/12/29/74/568122974.db2.gz SKMSGUOMTACWNG-SFHVURJKSA-N 1 0 368.437 4.077 50 0 FIAARO CCCCOc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000022766918 568311344 /nfs/dbraw/zinc/31/13/44/568311344.db2.gz QHNLALSXOGEXSG-GOSISDBHSA-N 1 0 361.511 4.351 50 0 FIAARO O=C(c1cccs1)[C@@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000222300760 568513109 /nfs/dbraw/zinc/51/31/09/568513109.db2.gz ZMXLALBAGMHJNZ-LJQANCHMSA-N 1 0 365.502 4.088 50 0 FIAARO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 ZINC000025356121 568546105 /nfs/dbraw/zinc/54/61/05/568546105.db2.gz DADZPOFIDZMKLN-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO O=c1ccc2ccc(OCCC[NH+]3CCC(c4ccccc4)CC3)cc2o1 ZINC000034205955 568586851 /nfs/dbraw/zinc/58/68/51/568586851.db2.gz AQMWPFQRDQFZPG-UHFFFAOYSA-N 1 0 363.457 4.442 50 0 FIAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCC[NH+](C)C)cc12 ZINC000000537860 570438517 /nfs/dbraw/zinc/43/85/17/570438517.db2.gz YKWQHMLRAPIWDP-UHFFFAOYSA-N 1 0 350.462 4.025 50 0 in-man FIAARO O=C1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1CC[NH+]1CCCCC1 ZINC000001219066 570494824 /nfs/dbraw/zinc/49/48/24/570494824.db2.gz JNPVXZSQSIWSFV-INIZCTEOSA-N 1 0 359.322 4.053 50 0 FIAARO Clc1ccc(Cn2ncc3c2ncnc3NCCc2ccccc2)cc1 ZINC000001473013 570501080 /nfs/dbraw/zinc/50/10/80/570501080.db2.gz ALMMDWHVYLEXCZ-UHFFFAOYSA-N 1 0 363.852 4.183 50 0 FIAARO C[NH+](C)CCNc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000002206453 570517033 /nfs/dbraw/zinc/51/70/33/570517033.db2.gz VWILYGOJSDIHHM-UHFFFAOYSA-N 1 0 371.916 4.321 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002311997 570518860 /nfs/dbraw/zinc/51/88/60/570518860.db2.gz DYOOWBSRYSJKJK-UHFFFAOYSA-N 1 0 361.489 4.364 50 0 FIAARO Cc1ccccc1NC(=O)c1cc2cc3c4c(c2oc1=[NH2+])CCCN4CCC3 ZINC000004921973 570561195 /nfs/dbraw/zinc/56/11/95/570561195.db2.gz TVZKWADRRNYNKW-UHFFFAOYSA-N 1 0 373.456 4.172 50 0 FIAARO O=C1[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)CCN1c1ccccc1C(F)(F)F ZINC000408519052 570565269 /nfs/dbraw/zinc/56/52/69/570565269.db2.gz WEWPZPNYMURARN-KRWDZBQOSA-N 1 0 373.378 4.082 50 0 FIAARO CCOc1ccccc1N1CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000004981260 570615575 /nfs/dbraw/zinc/61/55/75/570615575.db2.gz BEGOJDQZBKPQOY-LJQANCHMSA-N 1 0 368.521 4.237 50 0 FIAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004981162 570615726 /nfs/dbraw/zinc/61/57/26/570615726.db2.gz CZWXGPLPLDRFPU-FQEVSTJZSA-N 1 0 352.522 4.455 50 0 FIAARO C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000005275009 570645916 /nfs/dbraw/zinc/64/59/16/570645916.db2.gz BAGPJGSPOHTGMQ-FCHSOHFDSA-N 1 0 355.385 4.159 50 0 FIAARO COc1ccccc1-c1ccccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000062580871 570681702 /nfs/dbraw/zinc/68/17/02/570681702.db2.gz DAORJMZJSUTWQX-NRFANRHFSA-N 1 0 366.505 4.212 50 0 FIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000011753469 570706348 /nfs/dbraw/zinc/70/63/48/570706348.db2.gz ILPNAIARCHJLLH-INIZCTEOSA-N 1 0 369.486 4.232 50 0 FIAARO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000032652316 570766532 /nfs/dbraw/zinc/76/65/32/570766532.db2.gz VZSSTIJAIRONMH-KRWDZBQOSA-N 1 0 356.510 4.488 50 0 FIAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)c1 ZINC000012977110 570769742 /nfs/dbraw/zinc/76/97/42/570769742.db2.gz RRNLZINKIFXBEO-LJQANCHMSA-N 1 0 373.884 4.307 50 0 FIAARO COc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012977123 570770036 /nfs/dbraw/zinc/77/00/36/570770036.db2.gz TWCZPVIKMSLYDQ-GOSISDBHSA-N 1 0 373.884 4.307 50 0 FIAARO Cc1cccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1C ZINC000013002372 570772142 /nfs/dbraw/zinc/77/21/42/570772142.db2.gz SMDYETOITWRGKS-UHFFFAOYSA-N 1 0 373.522 4.009 50 0 FIAARO O=C1C2=C(CCCC2)[C@@H]([NH2+]Cc2cccs2)N1Cc1ccc(F)cc1 ZINC000013899326 570795734 /nfs/dbraw/zinc/79/57/34/570795734.db2.gz NLIZEKWOPKLVDC-IBGZPJMESA-N 1 0 356.466 4.216 50 0 FIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2CCOC)c(C)o1 ZINC000014979150 570828084 /nfs/dbraw/zinc/82/80/84/570828084.db2.gz GPOKTDIWUUYVRW-QGZVFWFLSA-N 1 0 358.482 4.440 50 0 FIAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](CC(C)C)C3)c1OC ZINC000015000020 570828333 /nfs/dbraw/zinc/82/83/33/570828333.db2.gz BTLJORUUAPAJGU-UHFFFAOYSA-N 1 0 371.477 4.230 50 0 FIAARO CCn1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1 ZINC000015063514 570830427 /nfs/dbraw/zinc/83/04/27/570830427.db2.gz UARFVHIUZUKAMJ-UHFFFAOYSA-N 1 0 374.916 4.187 50 0 FIAARO O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000015067124 570831028 /nfs/dbraw/zinc/83/10/28/570831028.db2.gz SXVJSXZCFDEYJB-UHFFFAOYSA-N 1 0 367.474 4.254 50 0 FIAARO CCOc1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)c1 ZINC000015860317 570846482 /nfs/dbraw/zinc/84/64/82/570846482.db2.gz NNRAIZCYVHVKIG-HXUWFJFHSA-N 1 0 370.493 4.190 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCCC2)o1 ZINC000015860207 570846725 /nfs/dbraw/zinc/84/67/25/570846725.db2.gz VOJGLOHFDUAJRO-LIPMQLJGSA-N 1 0 370.537 4.448 50 0 FIAARO Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000016102473 570850557 /nfs/dbraw/zinc/85/05/57/570850557.db2.gz SQHHEBLJTRVBHH-UHFFFAOYSA-N 1 0 371.531 4.172 50 0 FIAARO CC[NH+]1CCC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000016580179 570858625 /nfs/dbraw/zinc/85/86/25/570858625.db2.gz AAEBASWHFVQFDG-FQEVSTJZSA-N 1 0 354.519 4.121 50 0 FIAARO Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019361468 570887529 /nfs/dbraw/zinc/88/75/29/570887529.db2.gz AEEBDLYNNKIZOP-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO CCN(C(=O)Nc1cccnc1Cl)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106924958 570894192 /nfs/dbraw/zinc/89/41/92/570894192.db2.gz JCKOLSXYZGGJIX-WBVHZDCISA-N 1 0 372.900 4.424 50 0 FIAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019939849 570907600 /nfs/dbraw/zinc/90/76/00/570907600.db2.gz ZZRXFEWOOBAJGW-KRWDZBQOSA-N 1 0 367.472 4.238 50 0 FIAARO O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000020500373 570918687 /nfs/dbraw/zinc/91/86/87/570918687.db2.gz OVVBIWZXLCTBPC-CQSZACIVSA-N 1 0 367.276 4.105 50 0 FIAARO Cc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1C ZINC000021148729 570928324 /nfs/dbraw/zinc/92/83/24/570928324.db2.gz NZLHDQQLDRFMLW-NRFANRHFSA-N 1 0 372.553 4.329 50 0 FIAARO CC(C)c1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000021170600 570928923 /nfs/dbraw/zinc/92/89/23/570928923.db2.gz CFVULFRPYYPYGH-NRFANRHFSA-N 1 0 372.553 4.446 50 0 FIAARO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1-n1cccc1 ZINC000022611236 570947614 /nfs/dbraw/zinc/94/76/14/570947614.db2.gz FVVCUVFVFGUFAH-UHFFFAOYSA-N 1 0 373.500 4.134 50 0 FIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000048362226 570951577 /nfs/dbraw/zinc/95/15/77/570951577.db2.gz PHPJRURMPUINKQ-HXUWFJFHSA-N 1 0 368.546 4.366 50 0 FIAARO CC(=O)Nc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)c1 ZINC000048712800 570958941 /nfs/dbraw/zinc/95/89/41/570958941.db2.gz UMUUTGLOYFFMKE-UHFFFAOYSA-N 1 0 362.477 4.244 50 0 FIAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000023374273 570962832 /nfs/dbraw/zinc/96/28/32/570962832.db2.gz SMIFPLDVKCRTIU-KRWDZBQOSA-N 1 0 361.489 4.453 50 0 FIAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2ccccn2)c1 ZINC000023909314 570968959 /nfs/dbraw/zinc/96/89/59/570968959.db2.gz WCKUQLFGZSMVPI-UHFFFAOYSA-N 1 0 360.486 4.328 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000024102868 570971653 /nfs/dbraw/zinc/97/16/53/570971653.db2.gz ZOPIEBLDHXABNY-QGZVFWFLSA-N 1 0 361.493 4.368 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304561 571004493 /nfs/dbraw/zinc/00/44/93/571004493.db2.gz OHOVIIHMWGTIPK-FQEVSTJZSA-N 1 0 371.912 4.166 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000027140251 571010507 /nfs/dbraw/zinc/01/05/07/571010507.db2.gz AQQLWGCLGGXWEF-UHFFFAOYSA-N 1 0 370.496 4.464 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581622 571014444 /nfs/dbraw/zinc/01/44/44/571014444.db2.gz WPUHVIGBUQQYAQ-JOCHJYFZSA-N 1 0 366.505 4.026 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027582321 571014463 /nfs/dbraw/zinc/01/44/63/571014463.db2.gz ZESXRFYKIZGJKI-QGZVFWFLSA-N 1 0 358.507 4.104 50 0 FIAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662537 571017081 /nfs/dbraw/zinc/01/70/81/571017081.db2.gz DJZMPMHSSDJUKS-LJQANCHMSA-N 1 0 372.534 4.169 50 0 FIAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741291 571019584 /nfs/dbraw/zinc/01/95/84/571019584.db2.gz CYSXUVHXAYJOHY-SFHVURJKSA-N 1 0 372.534 4.087 50 0 FIAARO CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027741526 571019594 /nfs/dbraw/zinc/01/95/94/571019594.db2.gz XKYMPOGQBYRWBQ-IBGZPJMESA-N 1 0 372.534 4.350 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1Cl ZINC000027994234 571025749 /nfs/dbraw/zinc/02/57/49/571025749.db2.gz AFKZGGLDQKYBOL-IBGZPJMESA-N 1 0 372.896 4.224 50 0 FIAARO CC(C)COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293131 571030790 /nfs/dbraw/zinc/03/07/90/571030790.db2.gz UYIFTQQXBZNVBD-QFIPXVFZSA-N 1 0 366.505 4.288 50 0 FIAARO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293157 571030978 /nfs/dbraw/zinc/03/09/78/571030978.db2.gz OWAOCMKRHUSADE-QFIPXVFZSA-N 1 0 366.505 4.142 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000029328252 571038757 /nfs/dbraw/zinc/03/87/57/571038757.db2.gz YITHKZWXNMYMBI-DYESRHJHSA-N 1 0 369.509 4.139 50 0 FIAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH+](CC)CC ZINC000012690485 571049002 /nfs/dbraw/zinc/04/90/02/571049002.db2.gz PJZDXUVBIDWVTP-AWEZNQCLSA-N 1 0 374.506 4.261 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+](CCC)CCC)c(=O)c2c1 ZINC000008717189 571057167 /nfs/dbraw/zinc/05/71/67/571057167.db2.gz COGIRNCQCDJZPV-UHFFFAOYSA-N 1 0 358.482 4.438 50 0 FIAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000072309078 571067500 /nfs/dbraw/zinc/06/75/00/571067500.db2.gz MQHAGTLODIMPDI-ZDUSSCGKSA-N 1 0 355.413 4.176 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000072309359 571067964 /nfs/dbraw/zinc/06/79/64/571067964.db2.gz UTYGFBHIRGWICE-HNNXBMFYSA-N 1 0 371.333 4.407 50 0 FIAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000004725563 571072334 /nfs/dbraw/zinc/07/23/34/571072334.db2.gz CKYPTFRYPWGYDD-IBGZPJMESA-N 1 0 362.517 4.087 50 0 FIAARO C[C@H](C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000004725564 571072352 /nfs/dbraw/zinc/07/23/52/571072352.db2.gz CKYPTFRYPWGYDD-LJQANCHMSA-N 1 0 362.517 4.087 50 0 FIAARO Cc1ccc(NC(=O)C2CC[NH+]([C@H](c3ccccc3)C(C)C)CC2)nc1 ZINC000084191597 571079109 /nfs/dbraw/zinc/07/91/09/571079109.db2.gz ZCUCCSSGXWUSQG-NRFANRHFSA-N 1 0 351.494 4.438 50 0 FIAARO Cc1nccn1-c1ccc(N2CCC([NH2+]C3(CC(C)C)CC3)CC2)cc1 ZINC000048422224 571108306 /nfs/dbraw/zinc/10/83/06/571108306.db2.gz GSNDJCMSOYPXTF-UHFFFAOYSA-N 1 0 352.526 4.318 50 0 FIAARO Brc1ccc([C@@H]2C[N@H+](CCc3cccs3)CCO2)cc1 ZINC000060333633 571109178 /nfs/dbraw/zinc/10/91/78/571109178.db2.gz BIIHQSRUZZAUNK-INIZCTEOSA-N 1 0 352.297 4.127 50 0 FIAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000012799777 571110695 /nfs/dbraw/zinc/11/06/95/571110695.db2.gz FYYZHPSQKHGWRQ-OAHLLOKOSA-N 1 0 368.868 4.123 50 0 FIAARO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1cccc2ccccc21 ZINC000242389469 571111172 /nfs/dbraw/zinc/11/11/72/571111172.db2.gz ZXLZDQZQHGJFCD-NNWRFLSQSA-N 1 0 366.505 4.184 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2cc(C3CC3)nc3ccccc32)CCCCC1 ZINC000009515509 571111969 /nfs/dbraw/zinc/11/19/69/571111969.db2.gz BYAXXIODADOHOC-UHFFFAOYSA-N 1 0 351.494 4.107 50 0 FIAARO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc([C@H]3CCCCO3)o2)s1 ZINC000055060459 571115858 /nfs/dbraw/zinc/11/58/58/571115858.db2.gz JCAOKGCNLNZNBD-LJQANCHMSA-N 1 0 362.539 4.455 50 0 FIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@@H](C)Cc2ncccc2C)cc1 ZINC000055183127 571117451 /nfs/dbraw/zinc/11/74/51/571117451.db2.gz AELCLFGMNQTIGB-IBGZPJMESA-N 1 0 367.537 4.373 50 0 FIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cnc(C)s2)CC1 ZINC000055212029 571117961 /nfs/dbraw/zinc/11/79/61/571117961.db2.gz IQIRNLSHAZKXNP-UHFFFAOYSA-N 1 0 372.534 4.230 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2scnc2c1)c1ccco1 ZINC000244882795 571118964 /nfs/dbraw/zinc/11/89/64/571118964.db2.gz XZDFDSLBJYUPNT-HNNXBMFYSA-N 1 0 358.467 4.094 50 0 FIAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc(Oc3ncccn3)cc2)s1 ZINC000055360416 571119935 /nfs/dbraw/zinc/11/99/35/571119935.db2.gz JJVOOEZCAVFJEW-UHFFFAOYSA-N 1 0 369.490 4.023 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000058135759 571125682 /nfs/dbraw/zinc/12/56/82/571125682.db2.gz HVHQOYMDLQQMHG-KRWDZBQOSA-N 1 0 358.441 4.207 50 0 FIAARO Cc1ccc([C@H](CNC(=O)CCc2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000060355156 571136662 /nfs/dbraw/zinc/13/66/62/571136662.db2.gz JZXFJSWHKCCIRB-SFHVURJKSA-N 1 0 360.885 4.127 50 0 FIAARO Cc1cccnc1NCC[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1 ZINC000063882835 571140596 /nfs/dbraw/zinc/14/05/96/571140596.db2.gz KKPSEGKVYKBVAZ-UHFFFAOYSA-N 1 0 369.472 4.202 50 0 FIAARO OCC1CC[NH+](Cc2ccccc2NCc2c(F)cccc2Cl)CC1 ZINC000078404972 571141210 /nfs/dbraw/zinc/14/12/10/571141210.db2.gz WOULUBULRBBFOW-UHFFFAOYSA-N 1 0 362.876 4.296 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000016477541 571141904 /nfs/dbraw/zinc/14/19/04/571141904.db2.gz UKZCSOSOSSBFNO-NRFANRHFSA-N 1 0 351.421 4.228 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012894010 571142390 /nfs/dbraw/zinc/14/23/90/571142390.db2.gz AJNNNDIHDQSGFJ-HRAATJIYSA-N 1 0 370.468 4.239 50 0 FIAARO c1cc(-c2cc([C@H]3CC[N@@H+](Cc4ccc5c(c4)CCO5)C3)ccn2)ccn1 ZINC000065526819 571144482 /nfs/dbraw/zinc/14/44/82/571144482.db2.gz ZSYGHZABCGBLAQ-NRFANRHFSA-N 1 0 357.457 4.068 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000012925206 571145926 /nfs/dbraw/zinc/14/59/26/571145926.db2.gz OTBJZSGZWWJSOA-MRXNPFEDSA-N 1 0 355.240 4.165 50 0 FIAARO CCc1ccc2c(C[N@H+](C)CCOc3ccccc3C)cc(=O)oc2c1 ZINC000012931556 571147352 /nfs/dbraw/zinc/14/73/52/571147352.db2.gz QIBAGSPIYICSGL-UHFFFAOYSA-N 1 0 351.446 4.175 50 0 FIAARO OC[C@@]1(Cc2ccc(F)cc2F)CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000067560636 571147431 /nfs/dbraw/zinc/14/74/31/571147431.db2.gz VSBGPMTUCQOAJQ-JOCHJYFZSA-N 1 0 368.427 4.335 50 0 FIAARO COc1ccc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)c2ccc(C)nc12 ZINC000067654751 571147866 /nfs/dbraw/zinc/14/78/66/571147866.db2.gz UDBZFEYEIZXSPA-NRFANRHFSA-N 1 0 370.456 4.177 50 0 FIAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC([NH3+])CC1 ZINC000067691818 571148569 /nfs/dbraw/zinc/14/85/69/571148569.db2.gz IVUHZCNJQHHHSS-UHFFFAOYSA-N 1 0 363.461 4.365 50 0 FIAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@H]3c3ccccn3)cc2c1 ZINC000067726914 571148912 /nfs/dbraw/zinc/14/89/12/571148912.db2.gz HKNROAVXVWSGRK-NRFANRHFSA-N 1 0 363.461 4.049 50 0 FIAARO CCN(C(=O)c1cc(CN(C)Cc2ccccc2)on1)C1CCCCCC1 ZINC000067855840 571150529 /nfs/dbraw/zinc/15/05/29/571150529.db2.gz YHKBDMKOUSACOR-UHFFFAOYSA-N 1 0 369.509 4.492 50 0 FIAARO c1ccc([C@H]2C[N@@H+](Cc3cccc4ncccc34)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071754269 571165310 /nfs/dbraw/zinc/16/53/10/571165310.db2.gz XBZDBJVFNMHDSA-QLBJFCOMSA-N 1 0 369.512 4.297 50 0 FIAARO C[C@@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 ZINC000024798559 571166342 /nfs/dbraw/zinc/16/63/42/571166342.db2.gz WTLJONSCQMTXQQ-RDTXWAMCSA-N 1 0 368.443 4.017 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071774407 571166561 /nfs/dbraw/zinc/16/65/61/571166561.db2.gz PLXDONNNGXECHV-MRXNPFEDSA-N 1 0 360.452 4.031 50 0 FIAARO COc1cc(C)nc(-c2ccccc2OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000072128378 571170811 /nfs/dbraw/zinc/17/08/11/571170811.db2.gz ALBWJVXEMNDZTH-PKOBYXMFSA-N 1 0 367.493 4.104 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1F)c1csc2ccccc21 ZINC000575622577 571173200 /nfs/dbraw/zinc/17/32/00/571173200.db2.gz ZWPWCZBBTWTEEY-MRXNPFEDSA-N 1 0 360.429 4.212 50 0 FIAARO C[N@H+](CCOC[C@H]1CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000669368905 571173884 /nfs/dbraw/zinc/17/38/84/571173884.db2.gz PVIOSHAXSOMCLM-DEOSSOPVSA-N 1 0 373.496 4.326 50 0 FIAARO Fc1cc(F)cc([C@H]2C[N@H+](Cc3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072151978 571174243 /nfs/dbraw/zinc/17/42/43/571174243.db2.gz KGWLBAONWULAES-YPAWHYETSA-N 1 0 354.444 4.027 50 0 FIAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC000072151759 571174369 /nfs/dbraw/zinc/17/43/69/571174369.db2.gz NJUAAZWFXABTFA-INIZCTEOSA-N 1 0 372.406 4.212 50 0 FIAARO c1cc2cc(C[N@@H+]3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)ccc2[nH]1 ZINC000072166722 571176758 /nfs/dbraw/zinc/17/67/58/571176758.db2.gz RXKSAMSENPLMCX-GMKZXUHWSA-N 1 0 357.501 4.230 50 0 FIAARO CC(C)c1cc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cs1 ZINC000072167291 571177058 /nfs/dbraw/zinc/17/70/58/571177058.db2.gz SQHIIYFFQCZAON-LJQANCHMSA-N 1 0 371.550 4.046 50 0 FIAARO c1ccc(CO[C@@H]2CCC[N@H+](Cc3ccc(-c4cccnc4)cc3)C2)nc1 ZINC000072172627 571177711 /nfs/dbraw/zinc/17/77/11/571177711.db2.gz YEXDNZAZUIKEQY-HSZRJFAPSA-N 1 0 359.473 4.325 50 0 FIAARO c1ccc(C[NH+]2CCC(Nc3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000003332437 571180801 /nfs/dbraw/zinc/18/08/01/571180801.db2.gz FQZXDFIVXYTGKE-UHFFFAOYSA-N 1 0 364.518 4.257 50 0 FIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)o1 ZINC000072425247 571194191 /nfs/dbraw/zinc/19/41/91/571194191.db2.gz ZZSFJLNIZMCSJZ-QGZVFWFLSA-N 1 0 368.525 4.351 50 0 FIAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000072429601 571195156 /nfs/dbraw/zinc/19/51/56/571195156.db2.gz HGOGSNPQJMMZNA-QHCPKHFHSA-N 1 0 362.473 4.157 50 0 FIAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@@H](c2cccs2)C2CCCCC2)c1 ZINC000299772082 571196029 /nfs/dbraw/zinc/19/60/29/571196029.db2.gz XPQUJKBJDBMVDM-HXUWFJFHSA-N 1 0 372.534 4.445 50 0 FIAARO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072436909 571196457 /nfs/dbraw/zinc/19/64/57/571196457.db2.gz KQDOBVVQIWYXPN-UHFFFAOYSA-N 1 0 350.506 4.036 50 0 FIAARO CCCc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCCC2 ZINC000001819101 571197356 /nfs/dbraw/zinc/19/73/56/571197356.db2.gz RIWLQOXLEVQYAF-UHFFFAOYSA-N 1 0 369.538 4.044 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH2+]C(C)C)cc1 ZINC000001828584 571197443 /nfs/dbraw/zinc/19/74/43/571197443.db2.gz QFYKDKDHQZXDMP-UHFFFAOYSA-N 1 0 362.477 4.353 50 0 FIAARO CSc1ccccc1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000299782309 571198254 /nfs/dbraw/zinc/19/82/54/571198254.db2.gz GZIUAOAQXPBYQV-QGZVFWFLSA-N 1 0 369.534 4.361 50 0 FIAARO CC[N@H+](C)C1(CNc2nc(C3CCCC3)nc3c2cnn3C)CCCCC1 ZINC000072476302 571199332 /nfs/dbraw/zinc/19/93/32/571199332.db2.gz IKYHFFJRVKNARQ-UHFFFAOYSA-N 1 0 370.545 4.087 50 0 FIAARO Cc1ccc2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4F)CC3)cc2c1 ZINC000299786251 571199555 /nfs/dbraw/zinc/19/95/55/571199555.db2.gz SCWIMKRAUPXDGZ-UHFFFAOYSA-N 1 0 365.452 4.010 50 0 FIAARO Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299790991 571200791 /nfs/dbraw/zinc/20/07/91/571200791.db2.gz ZFBRURQKOJJSTG-SFHVURJKSA-N 1 0 368.525 4.236 50 0 FIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000075572449 571200956 /nfs/dbraw/zinc/20/09/56/571200956.db2.gz KFPGUDSFPVFXQC-AWEZNQCLSA-N 1 0 373.419 4.219 50 0 FIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)c4ccc(F)cc4)CC3)c2c1 ZINC000064483087 571208188 /nfs/dbraw/zinc/20/81/88/571208188.db2.gz XCBIDBUCUGYESX-QFIPXVFZSA-N 1 0 368.452 4.229 50 0 FIAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000077342246 571208157 /nfs/dbraw/zinc/20/81/57/571208157.db2.gz SFCFRCGTZRNSFF-KRWDZBQOSA-N 1 0 364.445 4.348 50 0 FIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(F)c2F)cc1 ZINC000077343536 571208347 /nfs/dbraw/zinc/20/83/47/571208347.db2.gz BRBYQDYMVZORKW-IBGZPJMESA-N 1 0 358.432 4.394 50 0 FIAARO COc1c(F)cc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)cc1Cl ZINC000077487825 571213522 /nfs/dbraw/zinc/21/35/22/571213522.db2.gz RQJJFYYQOYGMMT-OAHLLOKOSA-N 1 0 351.853 4.129 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000023128020 571217498 /nfs/dbraw/zinc/21/74/98/571217498.db2.gz QUERJOXTHUAUGF-UHFFFAOYSA-N 1 0 367.276 4.228 50 0 FIAARO Cc1cccc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3OCC[NH3+])C2)c1 ZINC000426578808 571232075 /nfs/dbraw/zinc/23/20/75/571232075.db2.gz PKDCYPZPJRTKFF-KRWDZBQOSA-N 1 0 372.896 4.006 50 0 FIAARO C[NH+](C)CCN(C(=O)c1ccc(-c2ccncc2)cc1)C1CCCCC1 ZINC000426597468 571233075 /nfs/dbraw/zinc/23/30/75/571233075.db2.gz XXDJWIVJXLMLAJ-UHFFFAOYSA-N 1 0 351.494 4.085 50 0 FIAARO COc1c2cc(Cl)ccc2sc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000064756681 571240955 /nfs/dbraw/zinc/24/09/55/571240955.db2.gz AYPDQDMETXXIGO-UHFFFAOYSA-N 1 0 366.914 4.025 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c(Cl)c1Cl ZINC000091650842 571241810 /nfs/dbraw/zinc/24/18/10/571241810.db2.gz NLMIXQBRRKTEAE-UHFFFAOYSA-N 1 0 355.309 4.136 50 0 FIAARO O=C1CCC2(CC[NH+](C/C=C/c3ccccc3)CC2)CN1C1CCCC1 ZINC000091690927 571242390 /nfs/dbraw/zinc/24/23/90/571242390.db2.gz DTCNZEDBMMSDCH-RMKNXTFCSA-N 1 0 352.522 4.347 50 0 FIAARO Cc1ccc(/C=C/C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000065519618 571264411 /nfs/dbraw/zinc/26/44/11/571264411.db2.gz NLZVRZMJFKEXQL-CMDGGOBGSA-N 1 0 360.929 4.432 50 0 FIAARO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 ZINC000089830418 571273570 /nfs/dbraw/zinc/27/35/70/571273570.db2.gz JLPGWFBTJOAWQD-HSZRJFAPSA-N 1 0 356.469 4.128 50 0 FIAARO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000237369507 571277247 /nfs/dbraw/zinc/27/72/47/571277247.db2.gz KDFCWMYQUYTHJH-CABCVRRESA-N 1 0 371.550 4.322 50 0 FIAARO Cc1cc(C[NH2+]C[C@H](c2ccnn2C)C(C)C)ccc1Oc1cccnc1 ZINC000252490160 571280669 /nfs/dbraw/zinc/28/06/69/571280669.db2.gz KKSIKPLPMUWBPI-FQEVSTJZSA-N 1 0 364.493 4.445 50 0 FIAARO COc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)ccc1C ZINC000252498597 571281264 /nfs/dbraw/zinc/28/12/64/571281264.db2.gz RFSLKFYHSSCULN-UHFFFAOYSA-N 1 0 352.478 4.422 50 0 FIAARO CC1(C)CC(N2CC(=O)C(c3nc4ccccc4s3)=C2N)CC(C)(C)[NH2+]1 ZINC000252535771 571282777 /nfs/dbraw/zinc/28/27/77/571282777.db2.gz GVMJGUCNOGBCIH-UHFFFAOYSA-N 1 0 370.522 4.167 50 0 FIAARO [NH3+][C@@H](CC(=O)Nc1ccccc1OCCc1ccccc1)c1ccccc1 ZINC000170682376 571285199 /nfs/dbraw/zinc/28/51/99/571285199.db2.gz AZKBJMLTGFMFJJ-FQEVSTJZSA-N 1 0 360.457 4.337 50 0 FIAARO COc1ccc([C@@H]2C[C@H](O)[C@@H](C(C)C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000252624560 571288836 /nfs/dbraw/zinc/28/88/36/571288836.db2.gz PQRBDYZZRFRTDK-FNAHDJPLSA-N 1 0 355.478 4.113 50 0 FIAARO CC(C)c1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002246985 571293768 /nfs/dbraw/zinc/29/37/68/571293768.db2.gz VFJVCMYGEBELBT-UHFFFAOYSA-N 1 0 369.538 4.215 50 0 FIAARO Cc1ccc(C)c(-c2csc3ncn([C@@H]4CCC[N@@H+](C)C4)c(=O)c23)c1 ZINC000584894532 571315187 /nfs/dbraw/zinc/31/51/87/571315187.db2.gz LWJVYOIHERKVNK-OAHLLOKOSA-N 1 0 353.491 4.009 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000012307624 571318552 /nfs/dbraw/zinc/31/85/52/571318552.db2.gz UVTLOAOFZXYARO-UHFFFAOYSA-N 1 0 366.505 4.250 50 0 FIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3C[NH2+]CCc1ccc(F)cc1 ZINC000012661336 571322572 /nfs/dbraw/zinc/32/25/72/571322572.db2.gz OJQZAFPFLBEQDS-MHXAIHSWSA-N 1 0 371.496 4.416 50 0 biogenic FIAARO Cc1sc2[nH]c(C[NH2+]C3CCCCC3)nc(=O)c2c1-c1ccccc1 ZINC000019926630 571327785 /nfs/dbraw/zinc/32/77/85/571327785.db2.gz FEXGXGPTJZURIO-UHFFFAOYSA-N 1 0 353.491 4.382 50 0 FIAARO c1cn(-c2ncc(C[NH+]3CCN(c4ccccc4)CC3)s2)c2ccccc12 ZINC000020219023 571328604 /nfs/dbraw/zinc/32/86/04/571328604.db2.gz OUSWEOMFSGLUGW-UHFFFAOYSA-N 1 0 374.513 4.409 50 0 FIAARO CCCC[C@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868530 571331849 /nfs/dbraw/zinc/33/18/49/571331849.db2.gz IQLMCZGEEIPFOI-RPWUZVMVSA-N 1 0 367.533 4.489 50 0 FIAARO Cc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021169791 571333466 /nfs/dbraw/zinc/33/34/66/571333466.db2.gz NOXQTTDWSQRJNF-BJKOFHAPSA-N 1 0 367.533 4.345 50 0 FIAARO Cc1ccc(O[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c2ccccc2)cc1 ZINC000096027281 571334084 /nfs/dbraw/zinc/33/40/84/571334084.db2.gz AQWKNMUGBAWTSQ-JOCHJYFZSA-N 1 0 368.521 4.350 50 0 FIAARO O=C(/C=C\c1ccccc1Cl)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000096166142 571334758 /nfs/dbraw/zinc/33/47/58/571334758.db2.gz ZQYRUXPBIJFIKQ-HJWRWDBZSA-N 1 0 360.910 4.149 50 0 FIAARO Fc1cccc(CN2CCc3nc(Nc4ccccc4F)ncc3C2)c1 ZINC000021639663 571335305 /nfs/dbraw/zinc/33/53/05/571335305.db2.gz XYSCJJJDIDCBHO-UHFFFAOYSA-N 1 0 352.388 4.057 50 0 FIAARO CC1CC[NH+](CCNc2ncnc3onc(-c4cccc(Cl)c4)c32)CC1 ZINC000021714526 571335660 /nfs/dbraw/zinc/33/56/60/571335660.db2.gz TWORZKLBZVUIBP-UHFFFAOYSA-N 1 0 371.872 4.082 50 0 FIAARO CCC[NH+](CCC)CCNc1ncnc2onc(-c3ccc(C)cc3)c21 ZINC000021715110 571335728 /nfs/dbraw/zinc/33/57/28/571335728.db2.gz JQVXQZAFQYNYOC-UHFFFAOYSA-N 1 0 353.470 4.127 50 0 FIAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1F ZINC000021718236 571335911 /nfs/dbraw/zinc/33/59/11/571335911.db2.gz QTEVXVVBGLUMHN-IYBDPMFKSA-N 1 0 361.505 4.356 50 0 FIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000299754433 571338486 /nfs/dbraw/zinc/33/84/86/571338486.db2.gz OAHKKQFVPNJZBZ-UGKGYDQZSA-N 1 0 367.537 4.214 50 0 biogenic FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000003049893 571344167 /nfs/dbraw/zinc/34/41/67/571344167.db2.gz UNNNLHWTRKJFFP-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO CNC(=O)c1ccc(CN(C)Cc2nc3ccccc3c(C)c2Cl)cc1 ZINC000029930290 571344441 /nfs/dbraw/zinc/34/44/41/571344441.db2.gz OXKLZCCENMILEK-UHFFFAOYSA-N 1 0 367.880 4.188 50 0 FIAARO CCOC(=O)Nc1ccc2c(C[N@@H+]3C[C@H]4CCCCC[C@H]43)cc(=O)oc2c1 ZINC000230173316 571344598 /nfs/dbraw/zinc/34/45/98/571344598.db2.gz UNEQKNUDZGYHBA-RDTXWAMCSA-N 1 0 370.449 4.126 50 0 FIAARO C[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1Cl ZINC000057576980 571344617 /nfs/dbraw/zinc/34/46/17/571344617.db2.gz DPEMLBCGJXILSX-MNOVXSKESA-N 1 0 357.306 4.410 50 0 FIAARO C[C@@H](NC(=O)c1ccc(F)cc1Cl)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003261394 571346329 /nfs/dbraw/zinc/34/63/29/571346329.db2.gz QWEKCQFTYATLDE-PXAZEXFGSA-N 1 0 366.889 4.496 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3o2)[NH+]2CCCC2)cc1 ZINC000003331084 571347600 /nfs/dbraw/zinc/34/76/00/571347600.db2.gz PNETWOCRUSFOJR-LJQANCHMSA-N 1 0 364.445 4.008 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000032217649 571356672 /nfs/dbraw/zinc/35/66/72/571356672.db2.gz ZXRBBTAIUFEWHU-QFIPXVFZSA-N 1 0 359.473 4.044 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCCc2ccccc21 ZINC000008126858 571359197 /nfs/dbraw/zinc/35/91/97/571359197.db2.gz LJDOBVVWYOYWNL-SFHVURJKSA-N 1 0 373.294 4.397 50 0 FIAARO CCCCOC(C(=O)O[C@@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002461620 1082429822 /nfs/dbraw/zinc/42/98/22/1082429822.db2.gz CSHBTSAPSFHEQN-IBGZPJMESA-N 1 0 369.505 4.240 50 0 FIAARO CC(C)COC(C(=O)O[C@@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002462060 1082430055 /nfs/dbraw/zinc/43/00/55/1082430055.db2.gz QFLQCXIOIPLKLY-IBGZPJMESA-N 1 0 369.505 4.096 50 0 FIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022586599 1082963295 /nfs/dbraw/zinc/96/32/95/1082963295.db2.gz PBUFVHLOHZBMTN-KRWDZBQOSA-N 1 0 362.439 4.454 50 0 FIAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022586603 1082963305 /nfs/dbraw/zinc/96/33/05/1082963305.db2.gz PBUFVHLOHZBMTN-QGZVFWFLSA-N 1 0 362.439 4.454 50 0 FIAARO COc1cccc(-c2ccc(N3CCC([NH2+]C[C@H]4CCCO4)CC3)cc2)c1 ZINC000023479042 1084365390 /nfs/dbraw/zinc/36/53/90/1084365390.db2.gz VQCJBHXOHOAOAX-HSZRJFAPSA-N 1 0 366.505 4.100 50 0 FIAARO Cc1cnc(CCNC(=O)NCCc2ccccc2)n1C1CCCCCC1 ZINC000581816325 1084627769 /nfs/dbraw/zinc/62/77/69/1084627769.db2.gz SRXUFDZRKAMEDP-UHFFFAOYSA-N 1 0 368.525 4.171 50 0 FIAARO Fc1ccc2nc([C@@H]3CCC[N@H+](Cc4cnc5ccccc5n4)C3)oc2c1 ZINC000888101402 1086781193 /nfs/dbraw/zinc/78/11/93/1086781193.db2.gz SNSFHSJUUDKLSC-CQSZACIVSA-N 1 0 362.408 4.290 50 0 FIAARO CC(C)COC1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000186716395 1087973025 /nfs/dbraw/zinc/97/30/25/1087973025.db2.gz MCKNJOARZDKYAD-UHFFFAOYSA-N 1 0 372.484 4.437 50 0 FIAARO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000208079651 1089156095 /nfs/dbraw/zinc/15/60/95/1089156095.db2.gz OMQCUQQUDXGSQQ-LUJNMSEFSA-N 1 0 358.482 4.120 50 0 FIAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000020515420 1089673300 /nfs/dbraw/zinc/67/33/00/1089673300.db2.gz JFBGVKJFSPHRFO-QGZVFWFLSA-N 1 0 352.507 4.475 50 0 FIAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000020598649 1089684723 /nfs/dbraw/zinc/68/47/23/1089684723.db2.gz ZAEOETFLVNDCIC-FQEVSTJZSA-N 1 0 363.436 4.222 50 0 FIAARO O=C(NCc1ccccc1)c1ccc2c(c1)C[N@H+](C1CCCCC1)CCO2 ZINC000675009409 1090878461 /nfs/dbraw/zinc/87/84/61/1090878461.db2.gz HFVAPOXJLYNGQW-UHFFFAOYSA-N 1 0 364.489 4.144 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCC[C@H]1CCc1noc(-c2ccccc2)n1 ZINC000675020737 1090902924 /nfs/dbraw/zinc/90/29/24/1090902924.db2.gz TZSQKANLTYTWNN-INIZCTEOSA-N 1 0 354.479 4.099 50 0 FIAARO CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CC[NH2+]CC1 ZINC000163304388 1110193572 /nfs/dbraw/zinc/19/35/72/1110193572.db2.gz IJJAKBXBGJNAQE-UHFFFAOYSA-N 1 0 358.457 4.009 50 0 FIAARO COc1cccc([C@H](C)[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000081670199 1113213124 /nfs/dbraw/zinc/21/31/24/1113213124.db2.gz BYMLOKFFUFOEPZ-HNNXBMFYSA-N 1 0 364.449 4.081 50 0 FIAARO O=C(Nc1ccccc1Cl)N1CC(F)(F)C[C@H]1C[NH+]1CCCCCC1 ZINC000257187442 1115687979 /nfs/dbraw/zinc/68/79/79/1115687979.db2.gz BFFWMGNKXQRPFX-AWEZNQCLSA-N 1 0 371.859 4.458 50 0 FIAARO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2o1 ZINC000175553717 1123922921 /nfs/dbraw/zinc/92/29/21/1123922921.db2.gz WKQAUIFDOHAAHV-OAHLLOKOSA-N 1 0 355.482 4.200 50 0 FIAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCc2ccccc2C1 ZINC000011843968 1125223126 /nfs/dbraw/zinc/22/31/26/1125223126.db2.gz FZBIMEPWNLARQE-OAQYLSRUSA-N 1 0 366.549 4.420 50 0 FIAARO C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000253415635 209944233 /nfs/dbraw/zinc/94/42/33/209944233.db2.gz LSTUSFXKGPLCPQ-LBPRGKRZSA-N 1 0 362.392 4.151 50 0 FIAARO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1F ZINC000025363043 209731708 /nfs/dbraw/zinc/73/17/08/209731708.db2.gz GVHBEUTWKPZHMR-JTQLQIEISA-N 1 0 352.203 4.168 50 0 FIAARO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl ZINC000007058809 219789980 /nfs/dbraw/zinc/78/99/80/219789980.db2.gz UKSAPZFBOIXFHD-QAQURRIXSA-N 1 0 370.320 4.292 50 0 FIAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 ZINC000106155719 209272442 /nfs/dbraw/zinc/27/24/42/209272442.db2.gz YOHOPAYBOFSSOZ-RXVVDRJESA-N 1 0 368.546 4.367 50 0 FIAARO COc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000097655522 209191227 /nfs/dbraw/zinc/19/12/27/209191227.db2.gz OEFZVTOBNCKUGW-NRFANRHFSA-N 1 0 354.469 4.377 50 0 FIAARO Cc1cc(C)nc(CN(C)C(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)c1 ZINC000097425215 209180647 /nfs/dbraw/zinc/18/06/47/209180647.db2.gz GHARXINAZXZVHE-KRWDZBQOSA-N 1 0 355.482 4.111 50 0 FIAARO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000097164390 209172315 /nfs/dbraw/zinc/17/23/15/209172315.db2.gz KNEFLGGCODCPKI-QGZVFWFLSA-N 1 0 350.422 4.471 50 0 FIAARO O=C(/C=C\c1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000096891871 209160343 /nfs/dbraw/zinc/16/03/43/209160343.db2.gz SXGVQPTZTBELEW-KHPPLWFESA-N 1 0 372.871 4.405 50 0 FIAARO Cc1ccc(-c2nc(CC(=O)NCC[NH+](C(C)C)C(C)C)cs2)c(C)c1 ZINC000013011168 220053046 /nfs/dbraw/zinc/05/30/46/220053046.db2.gz GRAHXFNGQZFFAX-UHFFFAOYSA-N 1 0 373.566 4.204 50 0 FIAARO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2)c2cccs2)CC1 ZINC000013012134 220054064 /nfs/dbraw/zinc/05/40/64/220054064.db2.gz LYAONHUQWBXRRN-SFHVURJKSA-N 1 0 357.523 4.021 50 0 FIAARO O=C(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccc(Cl)nc1 ZINC000096159740 209127734 /nfs/dbraw/zinc/12/77/34/209127734.db2.gz LOJQOVBVFCVWBQ-SFHVURJKSA-N 1 0 372.900 4.301 50 0 FIAARO COc1cccc(-c2nc3c([nH]2)C[N@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000096131953 209117053 /nfs/dbraw/zinc/11/70/53/209117053.db2.gz FFNWJARJVLYYSK-UHFFFAOYSA-N 1 0 372.472 4.167 50 0 FIAARO O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000299777044 206643324 /nfs/dbraw/zinc/64/33/24/206643324.db2.gz NMLJRTGIGDFJKW-NRFANRHFSA-N 1 0 351.450 4.086 50 0 FIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1c(F)cccc1Cl ZINC000000819120 206834968 /nfs/dbraw/zinc/83/49/68/206834968.db2.gz HBLKOSMDHNPOCY-UHFFFAOYSA-N 1 0 359.788 4.220 50 0 FIAARO CC[NH+](CC)CCNC(=O)c1cc2cc(Oc3ccccc3)ccc2n1C ZINC000004547228 207026635 /nfs/dbraw/zinc/02/66/35/207026635.db2.gz ULBLBPQEYXQAFH-UHFFFAOYSA-N 1 0 365.477 4.042 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C(C)=C/c2ccccc2)N3)C1 ZINC000004556161 207027558 /nfs/dbraw/zinc/02/75/58/207027558.db2.gz LMCBATZLGJTGNM-YLZCUGDYSA-N 1 0 353.491 4.286 50 0 FIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)c1OC ZINC000004679072 207036694 /nfs/dbraw/zinc/03/66/94/207036694.db2.gz YDQOAJXIUPUZRO-UHFFFAOYSA-N 1 0 351.450 4.333 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000004725439 207041614 /nfs/dbraw/zinc/04/16/14/207041614.db2.gz CJSRMWPQXYVQPP-UHFFFAOYSA-N 1 0 356.897 4.177 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004863075 207055160 /nfs/dbraw/zinc/05/51/60/207055160.db2.gz WHYKFLXIHKKUGJ-LJQANCHMSA-N 1 0 367.880 4.305 50 0 FIAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1ccccc1Cl ZINC000005027711 207073487 /nfs/dbraw/zinc/07/34/87/207073487.db2.gz DNKBFCZLBROFSE-KRWDZBQOSA-N 1 0 363.885 4.178 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1F ZINC000004998073 207071558 /nfs/dbraw/zinc/07/15/58/207071558.db2.gz QNWQZQHYIXEUHA-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO CCCC[NH+](CCCC)CC(=O)Nc1cc(N(C)C)nc2ccccc21 ZINC000005834502 207119613 /nfs/dbraw/zinc/11/96/13/207119613.db2.gz OWCDBLUTAHMQHG-UHFFFAOYSA-N 1 0 356.514 4.142 50 0 FIAARO c1coc([C@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCCC2)c1 ZINC000006653064 207151372 /nfs/dbraw/zinc/15/13/72/207151372.db2.gz MQTRMCNJOMLINH-HNNXBMFYSA-N 1 0 368.506 4.412 50 0 FIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006753708 207161883 /nfs/dbraw/zinc/16/18/83/207161883.db2.gz GWJJYYGWDIFVDD-RQJZOYDLSA-N 1 0 356.510 4.139 50 0 FIAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000007597330 207199112 /nfs/dbraw/zinc/19/91/12/207199112.db2.gz CYRPVRMGBORRDR-LJQANCHMSA-N 1 0 370.493 4.044 50 0 FIAARO Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000007597323 207199639 /nfs/dbraw/zinc/19/96/39/207199639.db2.gz CYRPVRMGBORRDR-IBGZPJMESA-N 1 0 370.493 4.044 50 0 FIAARO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[NH+]1CCCC1 ZINC000008184821 207222092 /nfs/dbraw/zinc/22/20/92/207222092.db2.gz FBKBJSVYJHBFFJ-OAHLLOKOSA-N 1 0 365.502 4.310 50 0 FIAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000008429087 207233704 /nfs/dbraw/zinc/23/37/04/207233704.db2.gz BWMNWGPDDLUZJK-UHFFFAOYSA-N 1 0 374.550 4.130 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000008533252 207236133 /nfs/dbraw/zinc/23/61/33/207236133.db2.gz BAZBLGCIIRXGGB-OAHLLOKOSA-N 1 0 360.885 4.424 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000008614015 207239004 /nfs/dbraw/zinc/23/90/04/207239004.db2.gz QYCDHOMGRPUYGX-FQEVSTJZSA-N 1 0 351.494 4.255 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000008614011 207239240 /nfs/dbraw/zinc/23/92/40/207239240.db2.gz YBEQARLMYVDZPS-HXUWFJFHSA-N 1 0 351.494 4.255 50 0 FIAARO CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456695 207300832 /nfs/dbraw/zinc/30/08/32/207300832.db2.gz WUBTZQNURZFRQR-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO CCn1c2ccccc2nc1CN1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000011663973 207316684 /nfs/dbraw/zinc/31/66/84/207316684.db2.gz BLXIPWDIFZRQPJ-HSZRJFAPSA-N 1 0 366.553 4.144 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000011915576 207329851 /nfs/dbraw/zinc/32/98/51/207329851.db2.gz LNEWDIHYJHALCO-OAQYLSRUSA-N 1 0 370.468 4.181 50 0 biogenic FIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)cnn1-c1ccccc1 ZINC000012000514 207332243 /nfs/dbraw/zinc/33/22/43/207332243.db2.gz DPGJKTOFUCQNBM-QGZVFWFLSA-N 1 0 357.461 4.217 50 0 FIAARO Cc1ccc2nc(OCc3ccccc3Cl)c(C[NH2+]C[C@H](C)O)cc2c1 ZINC000012149424 207344110 /nfs/dbraw/zinc/34/41/10/207344110.db2.gz SXPANEOWRTZZOC-HNNXBMFYSA-N 1 0 370.880 4.246 50 0 FIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000012208613 207349376 /nfs/dbraw/zinc/34/93/76/207349376.db2.gz ZXKOHWKOIVWFQJ-IBGZPJMESA-N 1 0 353.462 4.274 50 0 FIAARO CCCc1nc2cccnc2n1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000012242610 207350840 /nfs/dbraw/zinc/35/08/40/207350840.db2.gz MNRWZHXHQFUHSM-UHFFFAOYSA-N 1 0 352.457 4.360 50 0 FIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]Cc2ccco2)o1 ZINC000012301409 207356053 /nfs/dbraw/zinc/35/60/53/207356053.db2.gz QDZJNZNQDZZWCH-UHFFFAOYSA-N 1 0 351.381 4.463 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012298088 207356957 /nfs/dbraw/zinc/35/69/57/207356957.db2.gz UYEPWAGFYBYIBT-QFIPXVFZSA-N 1 0 361.489 4.113 50 0 FIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)c1 ZINC000012314042 207357930 /nfs/dbraw/zinc/35/79/30/207357930.db2.gz PQMOXVVJHSTPAQ-XMMPIXPASA-N 1 0 365.517 4.487 50 0 FIAARO COc1cc(C)c(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1C ZINC000012315843 207359364 /nfs/dbraw/zinc/35/93/64/207359364.db2.gz BXGBQZYZRNMBAN-INIZCTEOSA-N 1 0 362.477 4.323 50 0 FIAARO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000012409493 207371465 /nfs/dbraw/zinc/37/14/65/207371465.db2.gz OTNBZIAAOCNLRL-UHFFFAOYSA-N 1 0 367.276 4.356 50 0 FIAARO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@H]3CCCO3)c(C)o2)c(F)c1 ZINC000012430128 207374693 /nfs/dbraw/zinc/37/46/93/207374693.db2.gz JPPGNSATYVYPNO-QGZVFWFLSA-N 1 0 374.456 4.189 50 0 FIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](CC4CC4)C3)cc2)c1 ZINC000012432937 207375909 /nfs/dbraw/zinc/37/59/09/207375909.db2.gz BCGMXGWYIOWMRK-HXUWFJFHSA-N 1 0 364.489 4.423 50 0 FIAARO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[C@@H]1CCCc2ccccc21 ZINC000012433589 207376148 /nfs/dbraw/zinc/37/61/48/207376148.db2.gz JCWAVZRLJAMATA-LJQANCHMSA-N 1 0 361.445 4.315 50 0 FIAARO O=C(CCc1cccc(Cl)c1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012443484 207379336 /nfs/dbraw/zinc/37/93/36/207379336.db2.gz IOBLUXBXOGHFFW-NRFANRHFSA-N 1 0 370.924 4.096 50 0 FIAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012458458 207380173 /nfs/dbraw/zinc/38/01/73/207380173.db2.gz PAXRFVKHDBXQNC-UHFFFAOYSA-N 1 0 374.916 4.358 50 0 FIAARO CN(C(=O)c1ccc(Cl)s1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012456540 207380307 /nfs/dbraw/zinc/38/03/07/207380307.db2.gz IQMWLGJESGRVHM-INIZCTEOSA-N 1 0 362.926 4.181 50 0 FIAARO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1 ZINC000012459638 207380364 /nfs/dbraw/zinc/38/03/64/207380364.db2.gz YPMHBOSAQQCOHO-CYBMUJFWSA-N 1 0 357.404 4.318 50 0 FIAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000012567135 207392977 /nfs/dbraw/zinc/39/29/77/207392977.db2.gz CZULXELSONAUEB-LJQANCHMSA-N 1 0 365.521 4.444 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012576737 207395911 /nfs/dbraw/zinc/39/59/11/207395911.db2.gz PMQKYRIYYABJCW-OAQYLSRUSA-N 1 0 353.510 4.092 50 0 FIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000012577127 207396891 /nfs/dbraw/zinc/39/68/91/207396891.db2.gz JZRJJLSWENNXAL-UHFFFAOYSA-N 1 0 367.489 4.083 50 0 FIAARO Cc1ccsc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012576787 207396912 /nfs/dbraw/zinc/39/69/12/207396912.db2.gz BJVUFCBBDKQJSV-SFHVURJKSA-N 1 0 374.525 4.222 50 0 FIAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(F)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012588588 207398526 /nfs/dbraw/zinc/39/85/26/207398526.db2.gz STPSMRITKNXFAR-RRPUWOKSSA-N 1 0 364.464 4.072 50 0 FIAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)c1 ZINC000015860318 207571982 /nfs/dbraw/zinc/57/19/82/207571982.db2.gz NNRAIZCYVHVKIG-FQEVSTJZSA-N 1 0 370.493 4.190 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3cc(F)ccc3F)CC2)c1 ZINC000021174949 207766418 /nfs/dbraw/zinc/76/64/18/207766418.db2.gz CKYAVPWUORUKFN-UHFFFAOYSA-N 1 0 373.447 4.307 50 0 FIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1sccc1C ZINC000022284927 207801887 /nfs/dbraw/zinc/80/18/87/207801887.db2.gz LJLYIZACGDDCQE-UHFFFAOYSA-N 1 0 356.495 4.000 50 0 FIAARO Cc1nc(N2CCC[C@@H]([NH2+]C3CCCCC3)CC2)nc2ccc(F)cc12 ZINC000012038366 207785485 /nfs/dbraw/zinc/78/54/85/207785485.db2.gz OGAPLEPEWBIFDN-GOSISDBHSA-N 1 0 356.489 4.359 50 0 FIAARO Cc1nn2c(nc(NC[C@H](c3ccco3)[NH+](C)C)c3ccccc32)c1Cl ZINC000032837508 208047677 /nfs/dbraw/zinc/04/76/77/208047677.db2.gz OYQLLYOAYPVMMI-OAHLLOKOSA-N 1 0 369.856 4.152 50 0 FIAARO C[N@H+](CCn1c2ccccc2oc1=O)C(c1ccccc1)c1ccccc1 ZINC000032777985 208042421 /nfs/dbraw/zinc/04/24/21/208042421.db2.gz NZMSBGBZPIFQJR-UHFFFAOYSA-N 1 0 358.441 4.316 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)c2cccc3c4c([nH]c32)CCCCC4)CC1 ZINC000032779940 208043492 /nfs/dbraw/zinc/04/34/92/208043492.db2.gz JHKAVYNMBJZQHZ-UHFFFAOYSA-N 1 0 353.510 4.039 50 0 FIAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000032913830 208056249 /nfs/dbraw/zinc/05/62/49/208056249.db2.gz OQMPDBFYUKODCE-UHFFFAOYSA-N 1 0 361.489 4.358 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000033026544 208067260 /nfs/dbraw/zinc/06/72/60/208067260.db2.gz STWWCCUZLUPTTK-WFASDCNBSA-N 1 0 368.955 4.301 50 0 FIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033268807 208079087 /nfs/dbraw/zinc/07/90/87/208079087.db2.gz MLGYCXKNGLXUPU-UHFFFAOYSA-N 1 0 361.898 4.130 50 0 FIAARO CCC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034697988 208107508 /nfs/dbraw/zinc/10/75/08/208107508.db2.gz DHCXPAPOOUJFQZ-AEFFLSMTSA-N 1 0 368.443 4.143 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)COc2ccccc2F)cc1 ZINC000034894781 208113448 /nfs/dbraw/zinc/11/34/48/208113448.db2.gz IXBUGEWJPBWPTL-GHTZIAJQSA-N 1 0 373.468 4.191 50 0 FIAARO c1sc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1-c1ccccc1 ZINC000036389591 208162373 /nfs/dbraw/zinc/16/23/73/208162373.db2.gz SBUYOVDDXFAHBK-IAGOWNOFSA-N 1 0 350.491 4.397 50 0 FIAARO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000036697609 208168992 /nfs/dbraw/zinc/16/89/92/208168992.db2.gz RUPTYKLQBBRNLK-KQSIBHDWSA-N 1 0 352.478 4.055 50 0 FIAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095407 208143234 /nfs/dbraw/zinc/14/32/34/208143234.db2.gz IIEXFEKHPYOOCR-LJQANCHMSA-N 1 0 365.876 4.377 50 0 FIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000036104418 208144927 /nfs/dbraw/zinc/14/49/27/208144927.db2.gz IBFCHTYEITWLEP-QFIPXVFZSA-N 1 0 365.473 4.168 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036102555 208145190 /nfs/dbraw/zinc/14/51/90/208145190.db2.gz WBSGWMQKCAMMQH-GOSISDBHSA-N 1 0 351.849 4.129 50 0 FIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)c1 ZINC000036100701 208145270 /nfs/dbraw/zinc/14/52/70/208145270.db2.gz YLPYUSHKWUUESV-HSZRJFAPSA-N 1 0 355.522 4.421 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)cc1 ZINC000036101989 208146680 /nfs/dbraw/zinc/14/66/80/208146680.db2.gz XENFZVNOJDPDJA-NRFANRHFSA-N 1 0 359.485 4.312 50 0 FIAARO O[C@@H](COCc1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096828 208147458 /nfs/dbraw/zinc/14/74/58/208147458.db2.gz PWFRWKZEUGDSAU-XMMPIXPASA-N 1 0 361.485 4.267 50 0 FIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)s1 ZINC000036101647 208147569 /nfs/dbraw/zinc/14/75/69/208147569.db2.gz SHMXHWOAUAQRBX-HXUWFJFHSA-N 1 0 361.551 4.482 50 0 FIAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037560815 208181812 /nfs/dbraw/zinc/18/18/12/208181812.db2.gz BDUCTKOKRIVZCJ-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559431 208182771 /nfs/dbraw/zinc/18/27/71/208182771.db2.gz MXAUQXSDEKBLGN-UHFFFAOYSA-N 1 0 352.478 4.103 50 0 FIAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC000075170382 208193685 /nfs/dbraw/zinc/19/36/85/208193685.db2.gz VFNINAGSDTZSKM-GOSISDBHSA-N 1 0 358.551 4.093 50 0 FIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000077103998 208195365 /nfs/dbraw/zinc/19/53/65/208195365.db2.gz CRRZYTXGZROYEH-UHFFFAOYSA-N 1 0 372.578 4.260 50 0 FIAARO CC[NH+](CC)CCn1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 ZINC000040152973 208238385 /nfs/dbraw/zinc/23/83/85/208238385.db2.gz HCYGCSHAYFNJIV-UHFFFAOYSA-N 1 0 370.284 4.176 50 0 FIAARO CC(C)[N@H+](C)C1CCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000040158202 208240529 /nfs/dbraw/zinc/24/05/29/208240529.db2.gz MNFJTUGLDDOYJT-UHFFFAOYSA-N 1 0 361.493 4.001 50 0 FIAARO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)cc1Cl ZINC000042309415 208291493 /nfs/dbraw/zinc/29/14/93/208291493.db2.gz APDQTSVPFQGHNV-UHFFFAOYSA-N 1 0 363.914 4.450 50 0 FIAARO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC000045404687 208333479 /nfs/dbraw/zinc/33/34/79/208333479.db2.gz IABBSCNFKQSVJB-SFHVURJKSA-N 1 0 351.922 4.211 50 0 FIAARO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1 ZINC000045463018 208333712 /nfs/dbraw/zinc/33/37/12/208333712.db2.gz PKNXQKYNIVLAEB-SFHVURJKSA-N 1 0 351.922 4.211 50 0 FIAARO CN(C)C(=O)[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000048309620 208398417 /nfs/dbraw/zinc/39/84/17/208398417.db2.gz NUBLQVYZLHNSQV-PKTZIBPZSA-N 1 0 358.485 4.390 50 0 FIAARO Cc1ccsc1C[NH+]1CCC2(CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000072428274 208857667 /nfs/dbraw/zinc/85/76/67/208857667.db2.gz SUSLSXNDOCLCND-UHFFFAOYSA-N 1 0 354.519 4.071 50 0 FIAARO C[C@@H](Nc1cccc(N2CCCC2=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003542 209095365 /nfs/dbraw/zinc/09/53/65/209095365.db2.gz WANULFVADKJCOY-QUCCMNQESA-N 1 0 363.505 4.136 50 0 FIAARO CC(C)[C@@H](O)C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000095988233 209092481 /nfs/dbraw/zinc/09/24/81/209092481.db2.gz BVEYUJHFXOYVMI-DOTOQJQBSA-N 1 0 368.315 4.050 50 0 FIAARO Cc1cc2cc(C(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)ccc2o1 ZINC000092002915 209011242 /nfs/dbraw/zinc/01/12/42/209011242.db2.gz IIUBKDXRIPHYAK-FQEVSTJZSA-N 1 0 362.473 4.351 50 0 FIAARO CSc1cccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000095352828 209022763 /nfs/dbraw/zinc/02/27/63/209022763.db2.gz HXOJZPNSHRIMSR-FQEVSTJZSA-N 1 0 366.530 4.047 50 0 FIAARO O=C(c1[nH]c2ccccc2c1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000095353769 209024976 /nfs/dbraw/zinc/02/49/76/209024976.db2.gz ZSPXTSWJLOTSKF-OAHLLOKOSA-N 1 0 359.901 4.302 50 0 FIAARO CSc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1 ZINC000095363252 209030159 /nfs/dbraw/zinc/03/01/59/209030159.db2.gz ZBQNCNPQFIKHTO-FQEVSTJZSA-N 1 0 366.530 4.047 50 0 FIAARO CC(C)c1nc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000095373688 209034451 /nfs/dbraw/zinc/03/44/51/209034451.db2.gz ZXQDQQHWYLEWFA-QZTJIDSGSA-N 1 0 369.534 4.003 50 0 FIAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000095383209 209042055 /nfs/dbraw/zinc/04/20/55/209042055.db2.gz AZKDBUJXKKYHPD-FQEVSTJZSA-N 1 0 363.509 4.249 50 0 FIAARO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@H]2N(C)C)cc1 ZINC000095499597 209061401 /nfs/dbraw/zinc/06/14/01/209061401.db2.gz BYXRAGXLUNKZNG-VQTJNVASSA-N 1 0 360.448 4.126 50 0 FIAARO Cc1nc2scc(CC(C)C)c2c(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000095460529 132211311 /nfs/dbraw/zinc/21/13/11/132211311.db2.gz GBGHEBJGZCJNNB-UHFFFAOYSA-N 1 0 358.555 4.263 50 0 FIAARO Cc1cc(N2CCC[C@H](CCC(N)=O)C2)c2cc(C(F)(F)F)ccc2[nH+]1 ZINC000096140004 132220173 /nfs/dbraw/zinc/22/01/73/132220173.db2.gz RXELDFFETPITCY-CYBMUJFWSA-N 1 0 365.399 4.044 50 0 FIAARO O=C(NC[C@H]1CCCN(c2cc[nH+]cc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000096164364 132221470 /nfs/dbraw/zinc/22/14/70/132221470.db2.gz QKHGTZKPXCRWFY-LJQANCHMSA-N 1 0 371.484 4.395 50 0 FIAARO Cc1c2ccc(C)cc2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000238901409 132289257 /nfs/dbraw/zinc/28/92/57/132289257.db2.gz MCIOQLUBHHEMJW-UHFFFAOYSA-N 1 0 363.461 4.054 50 0 FIAARO Clc1cccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000001167685 132380704 /nfs/dbraw/zinc/38/07/04/132380704.db2.gz SZPVWZDXVYIMFV-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(C)c2C)CC1 ZINC000001227165 132381407 /nfs/dbraw/zinc/38/14/07/132381407.db2.gz QVEDORCOGWELBE-UHFFFAOYSA-N 1 0 354.494 4.033 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2C)CC1 ZINC000053212074 136124813 /nfs/dbraw/zinc/12/48/13/136124813.db2.gz IKFQFHIXRXHXEY-UHFFFAOYSA-N 1 0 374.435 4.059 50 0 FIAARO COc1ccc2c(c1)CCCN2C(=O)C[NH+](C1CCCC1)C1CCCC1 ZINC000058168290 136130595 /nfs/dbraw/zinc/13/05/95/136130595.db2.gz HRHRJHQLMWOKJR-UHFFFAOYSA-N 1 0 356.510 4.162 50 0 FIAARO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000072240730 136143929 /nfs/dbraw/zinc/14/39/29/136143929.db2.gz NBDBPTZAISCAFE-UHFFFAOYSA-N 1 0 364.415 4.103 50 0 FIAARO O=C(CC[C@@H]1CCCN(c2cc[nH+]cc2)C1)NCc1ccccc1Cl ZINC000096130733 136151116 /nfs/dbraw/zinc/15/11/16/136151116.db2.gz DCPFPQWHGVQAEC-INIZCTEOSA-N 1 0 357.885 4.048 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000023375250 136152830 /nfs/dbraw/zinc/15/28/30/136152830.db2.gz MUWTWUNMOUHEHE-XMMPIXPASA-N 1 0 363.549 4.036 50 0 FIAARO Cc1ccc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)c(C)c1 ZINC000095522185 209073758 /nfs/dbraw/zinc/07/37/58/209073758.db2.gz MQXCYIYSMOPQDA-NRFANRHFSA-N 1 0 362.517 4.398 50 0 FIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 ZINC000091585797 519402688 /nfs/dbraw/zinc/40/26/88/519402688.db2.gz LXUPWHWBERUXTO-SYWXZGPASA-N 1 0 356.558 4.307 50 0 FIAARO CCOc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)ccc1OCc1ccccc1 ZINC000078761196 520729445 /nfs/dbraw/zinc/72/94/45/520729445.db2.gz SXFBUBQJVWAWSR-UXHICEINSA-N 1 0 355.478 4.057 50 0 FIAARO CCN1CC[NH+](CCCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020406410 521680462 /nfs/dbraw/zinc/68/04/62/521680462.db2.gz FKLPJMXGVAASDU-UHFFFAOYSA-N 1 0 368.521 4.062 50 0 FIAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000020573263 521789064 /nfs/dbraw/zinc/78/90/64/521789064.db2.gz OMVACMSEFZLKAW-IEBWSBKVSA-N 1 0 366.977 4.245 50 0 FIAARO C[N@H+](Cc1cccc2cnccc21)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000020600685 523319862 /nfs/dbraw/zinc/31/98/62/523319862.db2.gz AYUHPTLTDIQSFE-OAQYLSRUSA-N 1 0 363.480 4.470 50 0 FIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1OC ZINC000019872549 523975579 /nfs/dbraw/zinc/97/55/79/523975579.db2.gz UIZCLOITUOHKJN-UHFFFAOYSA-N 1 0 355.409 4.435 50 0 FIAARO COc1ccccc1C[NH2+]Cc1cc2cccc(C)c2nc1N1CCCC1 ZINC000020363311 524486960 /nfs/dbraw/zinc/48/69/60/524486960.db2.gz UDPCRCIJYRMTBE-UHFFFAOYSA-N 1 0 361.489 4.442 50 0 FIAARO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000020603344 524548293 /nfs/dbraw/zinc/54/82/93/524548293.db2.gz ZPWBQHVBLOXDJF-IBGZPJMESA-N 1 0 368.525 4.322 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000020889723 525154496 /nfs/dbraw/zinc/15/44/96/525154496.db2.gz GTRXRSKDBVXVFK-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc(F)cc1F ZINC000239284865 526213558 /nfs/dbraw/zinc/21/35/58/526213558.db2.gz CFUKNVPLZQHNEY-DNVCBOLYSA-N 1 0 357.404 4.113 50 0 FIAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](CCCC4CCCC4)C3)CC2)cc1 ZINC000020537847 526481195 /nfs/dbraw/zinc/48/11/95/526481195.db2.gz IBHULDNFJKJQFS-QHCPKHFHSA-N 1 0 355.570 4.243 50 0 FIAARO c1ccc(Oc2cccc(CN3CCN(Cc4ccccn4)CC3)c2)cc1 ZINC000019789424 526487734 /nfs/dbraw/zinc/48/77/34/526487734.db2.gz KBKBHCMVIGVMRO-UHFFFAOYSA-N 1 0 359.473 4.192 50 0 FIAARO c1ccc2c(c1)C[C@@H](C[NH2+]Cc1cc3ccccc3nc1N1CCCCC1)O2 ZINC000084594828 526507714 /nfs/dbraw/zinc/50/77/14/526507714.db2.gz HBNSMEUFNJGFGL-NRFANRHFSA-N 1 0 373.500 4.318 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1 ZINC000091547830 526578692 /nfs/dbraw/zinc/57/86/92/526578692.db2.gz FJPWYUUZMMVURM-OAQYLSRUSA-N 1 0 374.488 4.034 50 0 FIAARO CCN1CC[NH+](C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)CC1 ZINC000019229282 535648526 /nfs/dbraw/zinc/64/85/26/535648526.db2.gz FKVJTUXRWKTLPF-UHFFFAOYSA-N 1 0 363.549 4.268 50 0 FIAARO CCc1cc2c(nc(CC)nc2N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000041090144 536158629 /nfs/dbraw/zinc/15/86/29/536158629.db2.gz OBGYKMMLIXLMFM-UHFFFAOYSA-N 1 0 358.555 4.271 50 0 FIAARO COc1cccc2c(C)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)nc12 ZINC000016671359 536931881 /nfs/dbraw/zinc/93/18/81/536931881.db2.gz YCSOVDVVJPQXIE-JXMROGBWSA-N 1 0 373.500 4.387 50 0 FIAARO Cc1ccc(-c2ccccc2CN2CC[NH+](C3CCSCC3)CC2)o1 ZINC000215458734 568071719 /nfs/dbraw/zinc/07/17/19/568071719.db2.gz PANXIWMIYMCVAY-UHFFFAOYSA-N 1 0 356.535 4.268 50 0 FIAARO O=C(c1cccc2c(Cl)cccc12)N1CCC([NH+]2CCSCC2)CC1 ZINC000215577687 568077860 /nfs/dbraw/zinc/07/78/60/568077860.db2.gz RCHCSWOEADBUFL-UHFFFAOYSA-N 1 0 374.937 4.147 50 0 FIAARO Cn1cnnc1Sc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000215790311 568088950 /nfs/dbraw/zinc/08/89/50/568088950.db2.gz PLKQAZCUJZPWOK-INIZCTEOSA-N 1 0 358.442 4.036 50 0 FIAARO Cc1nc(CN2CC[NH+](Cc3c(C)sc4ccccc43)CC2)cs1 ZINC000216450619 568123816 /nfs/dbraw/zinc/12/38/16/568123816.db2.gz LBZAHXDESNKHBD-UHFFFAOYSA-N 1 0 357.548 4.292 50 0 FIAARO C[NH+](C)CC/C=C1/c2ccccc2Sc2ccc(N3CCOCC3)cc21 ZINC000000717552 568129761 /nfs/dbraw/zinc/12/97/61/568129761.db2.gz KFHZHAJDFRSZCL-WSVATBPTSA-N 1 0 366.530 4.371 50 0 FIAARO C[C@H](C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000000785799 568225003 /nfs/dbraw/zinc/22/50/03/568225003.db2.gz MKGWRVSCBAINJD-LJQANCHMSA-N 1 0 350.506 4.161 50 0 FIAARO O[C@H](COC[C@H]1CC=CCC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000795278 568237451 /nfs/dbraw/zinc/23/74/51/568237451.db2.gz YNYFYZRFYNNBDF-ZEQRLZLVSA-N 1 0 365.517 4.423 50 0 FIAARO C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(-n2ccnc2)cc1 ZINC000025356281 568546188 /nfs/dbraw/zinc/54/61/88/568546188.db2.gz ZTKHMJOFQKNSIT-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000034288751 568589083 /nfs/dbraw/zinc/58/90/83/568589083.db2.gz WRPFPNIHTOSMKU-UHFFFAOYSA-N 1 0 350.506 4.383 50 0 in-vitro FIAARO COc1cccc([C@H](C)[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000072309096 570522267 /nfs/dbraw/zinc/52/22/67/570522267.db2.gz IAJLYLUEIQNBPH-ZDUSSCGKSA-N 1 0 351.393 4.498 50 0 FIAARO CCOC(=O)c1ccc(C(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000002515002 570523025 /nfs/dbraw/zinc/52/30/25/570523025.db2.gz XOIAUMJPZWFULQ-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO CCOC(=O)c1ccccc1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515000 570523406 /nfs/dbraw/zinc/52/34/06/570523406.db2.gz GNJXYPBHOFXACC-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000002735116 570528861 /nfs/dbraw/zinc/52/88/61/570528861.db2.gz IAZWNNACOSEBDJ-IBGZPJMESA-N 1 0 356.897 4.211 50 0 FIAARO COc1ccc(C)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050036425 570542218 /nfs/dbraw/zinc/54/22/18/570542218.db2.gz NDVISMBRGBXLTF-INIZCTEOSA-N 1 0 373.522 4.099 50 0 FIAARO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000050041073 570542669 /nfs/dbraw/zinc/54/26/69/570542669.db2.gz HWSLNJAIVQSVHB-INIZCTEOSA-N 1 0 367.276 4.082 50 0 FIAARO Cc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)cc1 ZINC000003104155 570551396 /nfs/dbraw/zinc/55/13/96/570551396.db2.gz OJZRSKYPSYEWDS-NRFANRHFSA-N 1 0 355.889 4.426 50 0 FIAARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCCCC1 ZINC000003864452 570569573 /nfs/dbraw/zinc/56/95/73/570569573.db2.gz TVXMKVJQQHBZPQ-GPUVRGFBSA-N 1 0 369.549 4.380 50 0 FIAARO C[C@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br ZINC000003904922 570571299 /nfs/dbraw/zinc/57/12/99/570571299.db2.gz NTTBMJIADQIFRG-HZSPNIEDSA-N 1 0 354.288 4.257 50 0 FIAARO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004688680 570600995 /nfs/dbraw/zinc/60/09/95/570600995.db2.gz YLNHOSKJHXETSU-HXUWFJFHSA-N 1 0 360.501 4.468 50 0 FIAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000004981200 570615633 /nfs/dbraw/zinc/61/56/33/570615633.db2.gz IKURHECQADGVGT-IBGZPJMESA-N 1 0 352.522 4.455 50 0 FIAARO CC[NH+](CC)C[C@H](O)Cn1c(-c2ccc(OC)cc2)cc2ccccc21 ZINC000005568007 570673516 /nfs/dbraw/zinc/67/35/16/570673516.db2.gz WFIKGFWNMNPRGR-IBGZPJMESA-N 1 0 352.478 4.020 50 0 FIAARO COc1ccc(-c2nc(C[N@H+](C)C(C3CC3)C3CC3)c(C)o2)cc1OC ZINC000012613238 570753323 /nfs/dbraw/zinc/75/33/23/570753323.db2.gz CJPLOWORICJCGF-UHFFFAOYSA-N 1 0 356.466 4.288 50 0 FIAARO O=C(CC1(Cn2cccc2)CCCCC1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409414864 570759085 /nfs/dbraw/zinc/75/90/85/570759085.db2.gz QBNZFENFHJYGSL-LEWJYISDSA-N 1 0 371.569 4.209 50 0 biogenic FIAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000012746424 570759623 /nfs/dbraw/zinc/75/96/23/570759623.db2.gz YAPZDBRYZMRTKE-INIZCTEOSA-N 1 0 373.880 4.452 50 0 FIAARO Cc1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012793988 570762233 /nfs/dbraw/zinc/76/22/33/570762233.db2.gz PJKTVQYWNJKNIA-UHFFFAOYSA-N 1 0 366.461 4.107 50 0 FIAARO CCc1ccc2c(C[N@H+](C)CCOc3ccc(F)cc3)cc(=O)oc2c1 ZINC000012799032 570763525 /nfs/dbraw/zinc/76/35/25/570763525.db2.gz MBSGMEXSIVWNHK-UHFFFAOYSA-N 1 0 355.409 4.005 50 0 FIAARO COc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000012986733 570770768 /nfs/dbraw/zinc/77/07/68/570770768.db2.gz IGETUMZLUPVQKO-IBGZPJMESA-N 1 0 373.884 4.307 50 0 FIAARO C[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000004820719 570775046 /nfs/dbraw/zinc/77/50/46/570775046.db2.gz KRROTMOQUVOUFM-UHFFFAOYSA-N 1 0 370.674 4.410 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000013326065 570776443 /nfs/dbraw/zinc/77/64/43/570776443.db2.gz GGRUBAXFEJRAIO-UHFFFAOYSA-N 1 0 363.288 4.388 50 0 FIAARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013512142 570778845 /nfs/dbraw/zinc/77/88/45/570778845.db2.gz JLKDNQXOAXIWJH-OAQYLSRUSA-N 1 0 355.889 4.299 50 0 FIAARO Cn1cc(C[N@H+](C)[C@H]2CCOC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000013593767 570779818 /nfs/dbraw/zinc/77/98/18/570779818.db2.gz CMCDYQQAJLQVMN-IBGZPJMESA-N 1 0 363.461 4.100 50 0 FIAARO Cc1ccc(N2C(=O)C[C@H]([C@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000101120739 570816852 /nfs/dbraw/zinc/81/68/52/570816852.db2.gz PHLHBPIOWMXUBQ-RTBURBONSA-N 1 0 352.478 4.044 50 0 FIAARO CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014955067 570827050 /nfs/dbraw/zinc/82/70/50/570827050.db2.gz MAINXHISUNQSAL-HXUWFJFHSA-N 1 0 368.908 4.044 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3CO)c(-c3cccc(C)c3)n2)cc1 ZINC000014970686 570827313 /nfs/dbraw/zinc/82/73/13/570827313.db2.gz DGPMGCOCHTXYCC-QFIPXVFZSA-N 1 0 361.489 4.113 50 0 FIAARO COc1ccc(NC(=O)[C@@H]2CC23CC[NH+](CCC(C)C)CC3)cc1Cl ZINC000014993941 570828467 /nfs/dbraw/zinc/82/84/67/570828467.db2.gz SKQRIMGSAYVKGH-INIZCTEOSA-N 1 0 364.917 4.435 50 0 FIAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014995680 570828487 /nfs/dbraw/zinc/82/84/87/570828487.db2.gz ZSEZVSLQLGSHKS-VXKWHMMOSA-N 1 0 366.549 4.194 50 0 FIAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2cccs2)Cc2ccccc2O1 ZINC000014993208 570828509 /nfs/dbraw/zinc/82/85/09/570828509.db2.gz RGEKQOVCIAHKFK-GOSISDBHSA-N 1 0 372.534 4.208 50 0 FIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000015070017 570831688 /nfs/dbraw/zinc/83/16/88/570831688.db2.gz PEBCUVKBPWPOAH-FQEVSTJZSA-N 1 0 373.500 4.120 50 0 FIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)C[C@@H]3CCCCO3)ccc2c1 ZINC000015079204 570832446 /nfs/dbraw/zinc/83/24/46/570832446.db2.gz FNTULCLZDSPHHC-NRFANRHFSA-N 1 0 365.477 4.239 50 0 FIAARO Cc1ccc(NC(=O)C[NH+](CC(C)C)CC(C)C)c(Br)c1 ZINC000071927918 570850579 /nfs/dbraw/zinc/85/05/79/570850579.db2.gz UUNJTRYEVYSGCP-UHFFFAOYSA-N 1 0 355.320 4.310 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000004585303 570852008 /nfs/dbraw/zinc/85/20/08/570852008.db2.gz UJCNDHYNJLFLLG-UHFFFAOYSA-N 1 0 371.481 4.424 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3C)CC2)c1 ZINC000016622108 570859206 /nfs/dbraw/zinc/85/92/06/570859206.db2.gz VGWUOPGXHMUPEQ-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000071933058 570874771 /nfs/dbraw/zinc/87/47/71/570874771.db2.gz FSCXHPNRBFYYQZ-CQSZACIVSA-N 1 0 358.486 4.121 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000106172017 570882842 /nfs/dbraw/zinc/88/28/42/570882842.db2.gz ULJHJYNNDQQYPO-ZWKOTPCHSA-N 1 0 363.502 4.045 50 0 FIAARO CC1(C)CCc2cc(CN3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000019835033 570904303 /nfs/dbraw/zinc/90/43/03/570904303.db2.gz LJMXJQFUWNZDGX-UHFFFAOYSA-N 1 0 350.506 4.108 50 0 FIAARO O[C@@H](CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccc1 ZINC000019924899 570906875 /nfs/dbraw/zinc/90/68/75/570906875.db2.gz SDFVXBXYXAQAQQ-DEOSSOPVSA-N 1 0 370.496 4.108 50 0 FIAARO COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1Cl ZINC000021170962 570928971 /nfs/dbraw/zinc/92/89/71/570928971.db2.gz SUALCRQTHBXZJO-QGZVFWFLSA-N 1 0 364.917 4.219 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 ZINC000048366868 570952348 /nfs/dbraw/zinc/95/23/48/570952348.db2.gz SIQMDGKOQNMYDY-KRWDZBQOSA-N 1 0 363.421 4.401 50 0 FIAARO c1c2ccccc2sc1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000023312317 570961517 /nfs/dbraw/zinc/96/15/17/570961517.db2.gz PNDYEHAIWQWKSU-UHFFFAOYSA-N 1 0 360.486 4.218 50 0 FIAARO C[N@H+](C[C@@H](O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000023387580 570962570 /nfs/dbraw/zinc/96/25/70/570962570.db2.gz UCTNILSPEZTADP-HXUWFJFHSA-N 1 0 365.448 4.287 50 0 FIAARO c1ccc(C2CCC([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC000023702946 570967012 /nfs/dbraw/zinc/96/70/12/570967012.db2.gz ODHAPHCVZVLNQA-UHFFFAOYSA-N 1 0 364.533 4.335 50 0 FIAARO COc1ccc(C(C)=O)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000024761800 570981868 /nfs/dbraw/zinc/98/18/68/570981868.db2.gz WIMMNUDFPRBRDK-JOCHJYFZSA-N 1 0 369.461 4.156 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)sc3C)cc2C)CC1 ZINC000024769040 570982475 /nfs/dbraw/zinc/98/24/75/570982475.db2.gz GBRAXIXTVJYFBQ-UHFFFAOYSA-N 1 0 357.523 4.068 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025252369 570992750 /nfs/dbraw/zinc/99/27/50/570992750.db2.gz ARMZZMRBMSNERX-CRAIPNDOSA-N 1 0 374.937 4.211 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000025330041 570993766 /nfs/dbraw/zinc/99/37/66/570993766.db2.gz DQKSKQFLCPFATM-OAHLLOKOSA-N 1 0 357.306 4.017 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccsc1 ZINC000025328921 570994006 /nfs/dbraw/zinc/99/40/06/570994006.db2.gz UZZDSJMTQKCFSR-FQEVSTJZSA-N 1 0 367.518 4.141 50 0 FIAARO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025361174 570994887 /nfs/dbraw/zinc/99/48/87/570994887.db2.gz ZPPXUEJCBYXXMF-FQEVSTJZSA-N 1 0 366.436 4.039 50 0 FIAARO Oc1ccc(CCC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000026114374 571002961 /nfs/dbraw/zinc/00/29/61/571002961.db2.gz SBKMPTOETZMPKY-UHFFFAOYSA-N 1 0 363.461 4.287 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581771 571014602 /nfs/dbraw/zinc/01/46/02/571014602.db2.gz GQONCRCGWWMNMX-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584175 571015013 /nfs/dbraw/zinc/01/50/13/571015013.db2.gz AZLSZBSWNZWMNB-QGZVFWFLSA-N 1 0 358.507 4.104 50 0 FIAARO CCc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027605231 571015946 /nfs/dbraw/zinc/01/59/46/571015946.db2.gz ZXRGKYNLZVYHQH-LJQANCHMSA-N 1 0 356.535 4.196 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2c1C ZINC000027603025 571016179 /nfs/dbraw/zinc/01/61/79/571016179.db2.gz OUYIDAOMLZUTGI-LJQANCHMSA-N 1 0 367.518 4.413 50 0 FIAARO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662757 571017017 /nfs/dbraw/zinc/01/70/17/571017017.db2.gz LKIMYFHDLCWDES-IBGZPJMESA-N 1 0 372.534 4.033 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662559 571017153 /nfs/dbraw/zinc/01/71/53/571017153.db2.gz PWMYBIXNPWAWPZ-IBGZPJMESA-N 1 0 372.534 4.169 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027742410 571019407 /nfs/dbraw/zinc/01/94/07/571019407.db2.gz OFAAKRYPNOSVSR-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000027741419 571019620 /nfs/dbraw/zinc/01/96/20/571019620.db2.gz HIGMTRUCSBDBLE-NRFANRHFSA-N 1 0 354.469 4.481 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027793114 571021216 /nfs/dbraw/zinc/02/12/16/571021216.db2.gz DNQBOPKQVGXJSG-NRFANRHFSA-N 1 0 366.505 4.351 50 0 FIAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000027939121 571022958 /nfs/dbraw/zinc/02/29/58/571022958.db2.gz JJJGQIPMMVJBLD-UHFFFAOYSA-N 1 0 358.485 4.277 50 0 in-vivo FIAARO CCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027989235 571024985 /nfs/dbraw/zinc/02/49/85/571024985.db2.gz LMYVQRAZTQQLDG-GOSISDBHSA-N 1 0 372.534 4.494 50 0 FIAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000028290695 571029948 /nfs/dbraw/zinc/02/99/48/571029948.db2.gz ZEXRZWRPIJQSHV-IBGZPJMESA-N 1 0 350.462 4.391 50 0 FIAARO CCN(CC)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029482552 571040463 /nfs/dbraw/zinc/04/04/63/571040463.db2.gz RNJGSDJNVDGACI-OAQYLSRUSA-N 1 0 351.494 4.091 50 0 FIAARO Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)CC[NH+]2CCCCC2)c1 ZINC000225514710 571042083 /nfs/dbraw/zinc/04/20/83/571042083.db2.gz CMXHSCLKFOFRQB-HXUWFJFHSA-N 1 0 365.477 4.142 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000038677335 571048739 /nfs/dbraw/zinc/04/87/39/571048739.db2.gz MFUCKUWUDDKTBB-MRXNPFEDSA-N 1 0 351.372 4.130 50 0 FIAARO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000083847966 571053453 /nfs/dbraw/zinc/05/34/53/571053453.db2.gz KEFFOHSBRTYRMZ-UHFFFAOYSA-N 1 0 363.505 4.500 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717208 571057126 /nfs/dbraw/zinc/05/71/26/571057126.db2.gz SKQUUCMEJLDJKL-CQSZACIVSA-N 1 0 356.466 4.190 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008862967 571063811 /nfs/dbraw/zinc/06/38/11/571063811.db2.gz VGMNFWUTOCGKIC-IBGZPJMESA-N 1 0 358.507 4.104 50 0 FIAARO CC(C)CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415178 571067547 /nfs/dbraw/zinc/06/75/47/571067547.db2.gz JTETULSTUJUTRH-OAHLLOKOSA-N 1 0 370.400 4.068 50 0 FIAARO C[N@H+](CCO)Cc1cc(NCc2c(F)cccc2Cl)ccc1Cl ZINC000225836218 571072399 /nfs/dbraw/zinc/07/23/99/571072399.db2.gz QGTSDIRQBDYYQW-UHFFFAOYSA-N 1 0 357.256 4.169 50 0 FIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1OC ZINC000004981276 571072982 /nfs/dbraw/zinc/07/29/82/571072982.db2.gz WBVNPOSYZRWQHQ-IBGZPJMESA-N 1 0 368.521 4.074 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073954821 571083202 /nfs/dbraw/zinc/08/32/02/571083202.db2.gz UCRJSTDZLGGGIB-UHFFFAOYSA-N 1 0 372.512 4.206 50 0 FIAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012776325 571095500 /nfs/dbraw/zinc/09/55/00/571095500.db2.gz ZLWYUOVVOINETI-HNNXBMFYSA-N 1 0 369.436 4.253 50 0 FIAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccccc1Br ZINC000069520059 571098775 /nfs/dbraw/zinc/09/87/75/571098775.db2.gz DNWHQQLKHRXCFU-MRXNPFEDSA-N 1 0 373.294 4.267 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000069516727 571098799 /nfs/dbraw/zinc/09/87/99/571098799.db2.gz WHRAIPWGUZXPNX-INIZCTEOSA-N 1 0 353.510 4.041 50 0 FIAARO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000033010771 571098916 /nfs/dbraw/zinc/09/89/16/571098916.db2.gz GJQPXPBYRDGEOO-UHFFFAOYSA-N 1 0 364.468 4.214 50 0 FIAARO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)ccc1C ZINC000060331474 571108830 /nfs/dbraw/zinc/10/88/30/571108830.db2.gz BKTSOLBVSYAUCK-UHFFFAOYSA-N 1 0 370.518 4.113 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000012810181 571111193 /nfs/dbraw/zinc/11/11/93/571111193.db2.gz CRLAIAQPBJRWEB-PGRDOPGGSA-N 1 0 366.505 4.326 50 0 FIAARO Fc1ccc(-n2ncc3c2ncnc3N2CCC[C@H]2c2cccs2)cc1 ZINC000012813629 571114530 /nfs/dbraw/zinc/11/45/30/571114530.db2.gz GJPRXHDIFKGROV-INIZCTEOSA-N 1 0 365.437 4.358 50 0 FIAARO COc1cccc(C[N@H+](CCC(=O)Nc2cccc(C)c2C)C2CC2)c1 ZINC000244723750 571115522 /nfs/dbraw/zinc/11/55/22/571115522.db2.gz MGRYLMFLKWTWQM-UHFFFAOYSA-N 1 0 352.478 4.305 50 0 FIAARO O=C(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1)Nc1nnc(C2CC2)s1 ZINC000244795904 571117376 /nfs/dbraw/zinc/11/73/76/571117376.db2.gz RPOKGEUKBSARGC-INIZCTEOSA-N 1 0 374.485 4.110 50 0 FIAARO CC(C)c1nc(CNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)cs1 ZINC000055225828 571118422 /nfs/dbraw/zinc/11/84/22/571118422.db2.gz PCECBNBPUACOBI-CQSZACIVSA-N 1 0 361.511 4.336 50 0 FIAARO c1c(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)onc1C1CCCCC1 ZINC000244882838 571119050 /nfs/dbraw/zinc/11/90/50/571119050.db2.gz YACACLNGZLKWBA-UHFFFAOYSA-N 1 0 370.497 4.437 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1 ZINC000058088381 571125092 /nfs/dbraw/zinc/12/50/92/571125092.db2.gz KDOYASUZORICQU-SFHVURJKSA-N 1 0 373.522 4.494 50 0 FIAARO C[NH+](C)CCCNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000058143303 571125662 /nfs/dbraw/zinc/12/56/62/571125662.db2.gz HMAVCDJMIVNSAW-UHFFFAOYSA-N 1 0 374.488 4.327 50 0 FIAARO Cc1cc(Br)cc(C)c1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020168009 571125713 /nfs/dbraw/zinc/12/57/13/571125713.db2.gz AXCLDRRARJYSOU-HOTGVXAUSA-N 1 0 370.331 4.334 50 0 FIAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000058159836 571125993 /nfs/dbraw/zinc/12/59/93/571125993.db2.gz NBJDJHUVNQKGSZ-ZOBUZTSGSA-N 1 0 357.498 4.222 50 0 FIAARO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000058167714 571126954 /nfs/dbraw/zinc/12/69/54/571126954.db2.gz AANHVDONNHAFFC-LLVKDONJSA-N 1 0 356.775 4.476 50 0 FIAARO CCc1sc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000058174775 571127351 /nfs/dbraw/zinc/12/73/51/571127351.db2.gz UJMBTGJHVOOHJT-GOSISDBHSA-N 1 0 356.535 4.261 50 0 FIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3C)c2cc1C ZINC000012853927 571129417 /nfs/dbraw/zinc/12/94/17/571129417.db2.gz WDEAKYCOLGOFEQ-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO CC1CCC([NH+]2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000058247728 571130321 /nfs/dbraw/zinc/13/03/21/571130321.db2.gz CXPILDSNJGMGBJ-UHFFFAOYSA-N 1 0 365.468 4.472 50 0 FIAARO O[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000058440357 571133372 /nfs/dbraw/zinc/13/33/72/571133372.db2.gz WCQMDAJOESWOOE-KRWDZBQOSA-N 1 0 350.245 4.092 50 0 FIAARO COc1ccncc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000558100597 571133678 /nfs/dbraw/zinc/13/36/78/571133678.db2.gz NBLQRTWBRZTWPZ-QGZVFWFLSA-N 1 0 364.493 4.400 50 0 FIAARO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000060156265 571136308 /nfs/dbraw/zinc/13/63/08/571136308.db2.gz VMEDIUXAECSOTF-HOTGVXAUSA-N 1 0 370.459 4.436 50 0 FIAARO CCc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000065361995 571141758 /nfs/dbraw/zinc/14/17/58/571141758.db2.gz FMIYOBXTLNAAAZ-UHFFFAOYSA-N 1 0 366.505 4.293 50 0 FIAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)nc1 ZINC000065371340 571142048 /nfs/dbraw/zinc/14/20/48/571142048.db2.gz INXMLBDPOWMUFJ-JOCHJYFZSA-N 1 0 373.500 4.188 50 0 FIAARO Brc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc2c1OCO2 ZINC000025259676 571142182 /nfs/dbraw/zinc/14/21/82/571142182.db2.gz YCWFQWMLWWSKPO-INIZCTEOSA-N 1 0 360.251 4.345 50 0 FIAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 ZINC000012887055 571142179 /nfs/dbraw/zinc/14/21/79/571142179.db2.gz ABECIHDVNQXGCT-HNNXBMFYSA-N 1 0 366.436 4.447 50 0 FIAARO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc(-c3cc4ccccc4o3)c2)C1 ZINC000065383967 571142445 /nfs/dbraw/zinc/14/24/45/571142445.db2.gz LVXFRVXIXCXBND-GOSISDBHSA-N 1 0 358.445 4.218 50 0 FIAARO CCNc1ncc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccccc4C)c3)C2)cn1 ZINC000065434072 571143794 /nfs/dbraw/zinc/14/37/94/571143794.db2.gz RGNVMGCWQBTHIX-FQEVSTJZSA-N 1 0 373.504 4.268 50 0 FIAARO C[N@@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2cccc(F)c2F)C1 ZINC000065506116 571144537 /nfs/dbraw/zinc/14/45/37/571144537.db2.gz RUSJVLZHPAPAHX-OAHLLOKOSA-N 1 0 353.416 4.447 50 0 FIAARO Cc1cccc(OCC[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000012915447 571144722 /nfs/dbraw/zinc/14/47/22/571144722.db2.gz VORMDCJMIDFJBL-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO CC(C)Oc1cccc(F)c1-c1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000067955462 571152527 /nfs/dbraw/zinc/15/25/27/571152527.db2.gz JYBSYELOQIXTNH-HXUWFJFHSA-N 1 0 351.425 4.238 50 0 FIAARO Oc1ccc(C2=CC[N@H+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000060466414 571157456 /nfs/dbraw/zinc/15/74/56/571157456.db2.gz RTMMJPZGBKRMEO-LJQANCHMSA-N 1 0 363.379 4.234 50 0 FIAARO CC(C)[C@@H]1C[N@H+](Cc2ccsc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071714643 571163742 /nfs/dbraw/zinc/16/37/42/571163742.db2.gz IWDWBCBWYTYMOR-IBGZPJMESA-N 1 0 360.498 4.146 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cn1 ZINC000071765553 571166115 /nfs/dbraw/zinc/16/61/15/571166115.db2.gz YUZIVAMOZQUBTL-QGZVFWFLSA-N 1 0 356.489 4.282 50 0 FIAARO C[C@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000072141688 571171930 /nfs/dbraw/zinc/17/19/30/571171930.db2.gz JXZPDJBWFSYCAJ-LLVKDONJSA-N 1 0 355.322 4.187 50 0 FIAARO C[N@H+](CCOC[C@@H]1CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000669368906 571173910 /nfs/dbraw/zinc/17/39/10/571173910.db2.gz PVIOSHAXSOMCLM-XMMPIXPASA-N 1 0 373.496 4.326 50 0 FIAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000229404306 571177864 /nfs/dbraw/zinc/17/78/64/571177864.db2.gz JAEVPYZXJAIERU-NFBKMPQASA-N 1 0 364.533 4.160 50 0 FIAARO C[C@](O)(C[N@@H+]1CC[C@@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000229810595 571178307 /nfs/dbraw/zinc/17/83/07/571178307.db2.gz JTDMWLQTBXHRFN-MOPGFXCFSA-N 1 0 364.411 4.099 50 0 FIAARO Fc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1 ZINC000299759338 571192824 /nfs/dbraw/zinc/19/28/24/571192824.db2.gz GIAWLTWZGIJSPM-ZCNNSNEGSA-N 1 0 363.436 4.493 50 0 FIAARO Cc1ccc(C)c(-n2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3ccccc3)n2)c1 ZINC000072423741 571193866 /nfs/dbraw/zinc/19/38/66/571193866.db2.gz OFSVZUCOQZTRMJ-JOCHJYFZSA-N 1 0 374.532 4.292 50 0 FIAARO CN1C[C@]2(CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)OC1=O ZINC000072430455 571195472 /nfs/dbraw/zinc/19/54/72/571195472.db2.gz VRBSPWINEMMJPO-NRFANRHFSA-N 1 0 350.418 4.003 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)cc1C ZINC000072454360 571197313 /nfs/dbraw/zinc/19/73/13/571197313.db2.gz JTEUMDHPMJWJCV-HSZRJFAPSA-N 1 0 361.489 4.095 50 0 FIAARO COc1ccc2cc(C[N@@H+]3CCC[C@H](O)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072468941 571198401 /nfs/dbraw/zinc/19/84/01/571198401.db2.gz MIJYWZYIUKTVNO-FQEVSTJZSA-N 1 0 362.473 4.176 50 0 FIAARO CNC(=O)c1ccc(C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000089391853 571201598 /nfs/dbraw/zinc/20/15/98/571201598.db2.gz HJHIHWNSJWOCGG-UHFFFAOYSA-N 1 0 374.406 4.354 50 0 FIAARO Cc1cc2cccc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4C)C3)c2o1 ZINC000299801909 571203600 /nfs/dbraw/zinc/20/36/00/571203600.db2.gz YPOKBIAOEAUTTQ-IBGZPJMESA-N 1 0 362.473 4.269 50 0 FIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358248 571209119 /nfs/dbraw/zinc/20/91/19/571209119.db2.gz OFGZIBZGESEQAA-GOSISDBHSA-N 1 0 367.522 4.155 50 0 FIAARO CC(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590896 571211589 /nfs/dbraw/zinc/21/15/89/571211589.db2.gz UXVDPFHGQMIBPU-UHFFFAOYSA-N 1 0 355.869 4.006 50 0 FIAARO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc3ccccc32)cc1 ZINC000078597132 571212380 /nfs/dbraw/zinc/21/23/80/571212380.db2.gz AOAWCXWGEQTIDE-JOCHJYFZSA-N 1 0 360.457 4.452 50 0 FIAARO Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2[nH+]1 ZINC000089583101 571212708 /nfs/dbraw/zinc/21/27/08/571212708.db2.gz AIUPZBUCRZNWLO-QFIPXVFZSA-N 1 0 365.452 4.168 50 0 FIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023105508 571215806 /nfs/dbraw/zinc/21/58/06/571215806.db2.gz AEBGUGDERPLZSQ-QGZVFWFLSA-N 1 0 368.502 4.333 50 0 FIAARO Cc1ccsc1CNC(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426445570 571226401 /nfs/dbraw/zinc/22/64/01/571226401.db2.gz MUKRSOKUOZWGSN-GOSISDBHSA-N 1 0 357.523 4.165 50 0 FIAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4cc(O)ccc4c3)cc2)C1 ZINC000426523705 571229921 /nfs/dbraw/zinc/22/99/21/571229921.db2.gz RUPCOBAPOUAXKG-JOCHJYFZSA-N 1 0 374.484 4.379 50 0 FIAARO Nc1cc[nH+]c(-c2cccc(C(=O)NCCSC3CCCCC3)c2)c1 ZINC000426668364 571234629 /nfs/dbraw/zinc/23/46/29/571234629.db2.gz NPASSESCTVFAKS-UHFFFAOYSA-N 1 0 355.507 4.127 50 0 FIAARO CC(=O)CCc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624659 571237629 /nfs/dbraw/zinc/23/76/29/571237629.db2.gz GQRMDNLGTXJRTK-QFIPXVFZSA-N 1 0 352.478 4.209 50 0 biogenic FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169677976 571246942 /nfs/dbraw/zinc/24/69/42/571246942.db2.gz FNQQZCMZUHDVRR-PZJWPPBQSA-N 1 0 371.521 4.352 50 0 FIAARO C[C@H]1CCCN(c2ccc(-c3noc(C[N@H+](C)C4CCCCC4)n3)cn2)C1 ZINC000065216019 571256721 /nfs/dbraw/zinc/25/67/21/571256721.db2.gz PYAUJXALCYPZJF-INIZCTEOSA-N 1 0 369.513 4.132 50 0 FIAARO CC[N@@H+]1CCC[C@@](C(=O)Nc2ccc(OC)cc2)(c2ccccc2)CC1 ZINC000065226043 571257144 /nfs/dbraw/zinc/25/71/44/571257144.db2.gz JNAVITUHXDGACT-QFIPXVFZSA-N 1 0 352.478 4.078 50 0 FIAARO C[C@@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCCC[NH3+] ZINC000065492727 571264071 /nfs/dbraw/zinc/26/40/71/571264071.db2.gz WGXUBSWAJHTCDO-SFHVURJKSA-N 1 0 357.542 4.409 50 0 FIAARO Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc3cccnc32)o1 ZINC000065514464 571264251 /nfs/dbraw/zinc/26/42/51/571264251.db2.gz KQJVRZLQKCMUFK-FQEVSTJZSA-N 1 0 356.429 4.226 50 0 FIAARO CC(C)n1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613464 571268028 /nfs/dbraw/zinc/26/80/28/571268028.db2.gz GSRDONGTRQHMLT-XLIONFOSSA-N 1 0 353.510 4.217 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2ncccc21 ZINC000014317688 571271984 /nfs/dbraw/zinc/27/19/84/571271984.db2.gz JDWIQAXDIUPZDT-UHFFFAOYSA-N 1 0 359.473 4.151 50 0 FIAARO C[C@@H]1C[C@@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000076021762 571273694 /nfs/dbraw/zinc/27/36/94/571273694.db2.gz UEEMZVARDQTTSH-HIFRSBDPSA-N 1 0 373.324 4.094 50 0 FIAARO C[C@@H]1C[N@@H+](CCCNc2cc(C(F)(F)F)nc3ccccc32)C[C@H](C)O1 ZINC000089936638 571274284 /nfs/dbraw/zinc/27/42/84/571274284.db2.gz ASCLLYJBEUMKJR-OKILXGFUSA-N 1 0 367.415 4.165 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000238055688 571277446 /nfs/dbraw/zinc/27/74/46/571277446.db2.gz ZFFNLLUKJWHZNT-NRFANRHFSA-N 1 0 351.421 4.228 50 0 FIAARO Fc1cccc2c(NCc3ccc(N4CCCCCC4)nc3)ncnc12 ZINC000252479230 571279940 /nfs/dbraw/zinc/27/99/40/571279940.db2.gz BBSWIYSNNTVFRW-UHFFFAOYSA-N 1 0 351.429 4.156 50 0 FIAARO O=C(C[C@@H]1CCOc2ccccc21)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153939472 571294366 /nfs/dbraw/zinc/29/43/66/571294366.db2.gz UAWKPOXIXGJBEQ-FQEVSTJZSA-N 1 0 370.537 4.057 50 0 FIAARO C[N@@H+]1CCC[C@@H]1CCn1cnc2scc(-c3ccccc3Cl)c2c1=O ZINC000584891417 571314648 /nfs/dbraw/zinc/31/46/48/571314648.db2.gz FXGALDOUSJZXPR-CYBMUJFWSA-N 1 0 373.909 4.263 50 0 FIAARO O=C(NCC1CC1)NC1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000584901065 571316163 /nfs/dbraw/zinc/31/61/63/571316163.db2.gz VGNXBUNSWWKCJE-UHFFFAOYSA-N 1 0 363.505 4.027 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000013011258 571322953 /nfs/dbraw/zinc/32/29/53/571322953.db2.gz WIVFTZNWYHXPMG-HXUWFJFHSA-N 1 0 350.487 4.448 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2)CC2CCOCC2)o1 ZINC000093342073 571326387 /nfs/dbraw/zinc/32/63/87/571326387.db2.gz ORUBXOQKERKYDL-UHFFFAOYSA-N 1 0 365.477 4.407 50 0 FIAARO CCC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169764 571333463 /nfs/dbraw/zinc/33/34/63/571333463.db2.gz UOXZQEYPNAMLJI-GOTSBHOMSA-N 1 0 353.506 4.099 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000021174919 571333563 /nfs/dbraw/zinc/33/35/63/571333563.db2.gz DYWIZIXJLMHKOT-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO CCOc1ccccc1OCC[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000096027278 571334060 /nfs/dbraw/zinc/33/40/60/571334060.db2.gz QTSCWHNPIJKOAU-UHFFFAOYSA-N 1 0 359.441 4.198 50 0 FIAARO CCOc1ccccc1NC(=O)OC[C@@]1(c2ccccc2)CCC[N@H+](C)C1 ZINC000096027376 571334175 /nfs/dbraw/zinc/33/41/75/571334175.db2.gz GJHLNXPARVEHAM-JOCHJYFZSA-N 1 0 368.477 4.297 50 0 FIAARO Fc1ccccc1CN1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639657 571335260 /nfs/dbraw/zinc/33/52/60/571335260.db2.gz MYFJMEAGNMVPTE-UHFFFAOYSA-N 1 0 352.388 4.057 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)o1 ZINC000021659755 571335403 /nfs/dbraw/zinc/33/54/03/571335403.db2.gz ZYXOWQOAAJEENY-LJQANCHMSA-N 1 0 354.494 4.452 50 0 FIAARO CCC[NH+](CCC)CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714530 571335667 /nfs/dbraw/zinc/33/56/67/571335667.db2.gz LJMWBTKVWDOYNR-UHFFFAOYSA-N 1 0 373.888 4.472 50 0 FIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1F ZINC000021718235 571335864 /nfs/dbraw/zinc/33/58/64/571335864.db2.gz QTEVXVVBGLUMHN-HZPDHXFCSA-N 1 0 361.505 4.356 50 0 FIAARO O[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000021793125 571336007 /nfs/dbraw/zinc/33/60/07/571336007.db2.gz FTSALQASLFJFPG-QFIPXVFZSA-N 1 0 352.453 4.295 50 0 FIAARO Cc1noc(-c2ccccc2C)c1C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000022622943 571337021 /nfs/dbraw/zinc/33/70/21/571337021.db2.gz GRXDAEDERAWSCN-UHFFFAOYSA-N 1 0 369.509 4.340 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc(F)cc1F ZINC000002622196 571339376 /nfs/dbraw/zinc/33/93/76/571339376.db2.gz CFUKNVPLZQHNEY-KXBFYZLASA-N 1 0 357.404 4.113 50 0 FIAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000057406358 571343218 /nfs/dbraw/zinc/34/32/18/571343218.db2.gz KIHXICPAXXYZBY-INIZCTEOSA-N 1 0 374.440 4.122 50 0 FIAARO C[C@H](c1ccncc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000003049927 571344177 /nfs/dbraw/zinc/34/41/77/571344177.db2.gz LIOVGLGLTNYDNN-CQSZACIVSA-N 1 0 362.930 4.057 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c1 ZINC000003049854 571344199 /nfs/dbraw/zinc/34/41/99/571344199.db2.gz IUVZETYVQGPSHU-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO O=C(NC1CC1)[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000057541940 571344439 /nfs/dbraw/zinc/34/44/39/571344439.db2.gz MIMMOSWOHZGSQW-QGZVFWFLSA-N 1 0 367.251 4.242 50 0 FIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000003060260 571344457 /nfs/dbraw/zinc/34/44/57/571344457.db2.gz WFJYTBJJDPXQEX-CYBMUJFWSA-N 1 0 369.962 4.240 50 0 FIAARO COc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c1 ZINC000003058577 571344463 /nfs/dbraw/zinc/34/44/63/571344463.db2.gz LOPNZKQLDUIHFL-UHFFFAOYSA-N 1 0 361.555 4.121 50 0 FIAARO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000003205126 571345463 /nfs/dbraw/zinc/34/54/63/571345463.db2.gz BJUZJRDGGZMYBB-QFIPXVFZSA-N 1 0 353.506 4.418 50 0 FIAARO Cc1ccc(F)c(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1Cl ZINC000670436993 571347002 /nfs/dbraw/zinc/34/70/02/571347002.db2.gz IRHICMIQJMPYKE-QGZVFWFLSA-N 1 0 374.887 4.397 50 0 FIAARO Cc1ccc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000058173185 571349052 /nfs/dbraw/zinc/34/90/52/571349052.db2.gz FNQGBYQGDTXOKG-UHFFFAOYSA-N 1 0 372.559 4.275 50 0 FIAARO C[NH+](C)[C@H](CNc1ncnc2sc3c(c21)CCCCC3)c1ccco1 ZINC000003452417 571349955 /nfs/dbraw/zinc/34/99/55/571349955.db2.gz UTCLMQXWTSEECY-CQSZACIVSA-N 1 0 356.495 4.268 50 0 FIAARO Cc1cc(C)c2ccc(C(=O)NCC[N@@H+]3CC[C@H](c4ccccc4)C3)cc2n1 ZINC000670460712 571356854 /nfs/dbraw/zinc/35/68/54/571356854.db2.gz ADVUCEXVAJYRFD-NRFANRHFSA-N 1 0 373.500 4.071 50 0 FIAARO c1ccc(CN2CC[NH+](CCCOc3cccc4ccccc43)CC2)cc1 ZINC000022310013 1082087677 /nfs/dbraw/zinc/08/76/77/1082087677.db2.gz YOGXXWXXHUNWGW-UHFFFAOYSA-N 1 0 360.501 4.427 50 0 FIAARO CC(C)Oc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193842666 1082272238 /nfs/dbraw/zinc/27/22/38/1082272238.db2.gz MFMWZCSXPINMFP-MRXNPFEDSA-N 1 0 361.530 4.097 50 0 FIAARO Cc1cccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189315 1087353626 /nfs/dbraw/zinc/35/36/26/1087353626.db2.gz JCVFSQMRVWSPCE-UHFFFAOYSA-N 1 0 368.546 4.140 50 0 FIAARO Cc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000257188738 1090314116 /nfs/dbraw/zinc/31/41/16/1090314116.db2.gz NADLVFCDAMXMFV-NRFANRHFSA-N 1 0 357.542 4.039 50 0 FIAARO Cc1ccc(CN2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)o1 ZINC000581801964 1090398253 /nfs/dbraw/zinc/39/82/53/1090398253.db2.gz BSVNDQLWVQDGQL-QFIPXVFZSA-N 1 0 372.553 4.366 50 0 FIAARO C(CC1CC[NH+](CC2CCCCC2)CC1)c1noc(C2CCOCC2)n1 ZINC000675024813 1090913362 /nfs/dbraw/zinc/91/33/62/1090913362.db2.gz MCBUQMMGBIRWSP-UHFFFAOYSA-N 1 0 361.530 4.189 50 0 FIAARO COc1ccc(C[NH2+]Cc2ccncc2)cc1OCc1ccccc1F ZINC000299797771 1091707557 /nfs/dbraw/zinc/70/75/57/1091707557.db2.gz OTFWRRINJOVDND-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1Cl ZINC000025946787 1105200553 /nfs/dbraw/zinc/20/05/53/1105200553.db2.gz PPLXEJFLEWUPAQ-UHFFFAOYSA-N 1 0 370.880 4.264 50 0 FIAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000624015225 1111698468 /nfs/dbraw/zinc/69/84/68/1111698468.db2.gz SJHCHQGDEQWRGE-OXQOHEQNSA-N 1 0 373.928 4.042 50 0 FIAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000624015223 1111698604 /nfs/dbraw/zinc/69/86/04/1111698604.db2.gz SJHCHQGDEQWRGE-JXFKEZNVSA-N 1 0 373.928 4.042 50 0 FIAARO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000175678177 1123950671 /nfs/dbraw/zinc/95/06/71/1123950671.db2.gz PIHVDXQUUPMMHZ-CYBMUJFWSA-N 1 0 367.896 4.246 50 0 FIAARO c1ccc(COc2cccc(CN3CCC[N@@H+](C4CCCC4)CC3)c2)nc1 ZINC000179772592 1124065670 /nfs/dbraw/zinc/06/56/70/1124065670.db2.gz QNPWIIYZGKPZBC-UHFFFAOYSA-N 1 0 365.521 4.111 50 0 FIAARO CC[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@H](O)c1ccc(C)cc1 ZINC000180419750 1124322742 /nfs/dbraw/zinc/32/27/42/1124322742.db2.gz LTASPGRNRMWLLN-SFHVURJKSA-N 1 0 355.507 4.137 50 0 FIAARO CC[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc2c(c1)OCCO2 ZINC000180613394 1124378438 /nfs/dbraw/zinc/37/84/38/1124378438.db2.gz YFBXBHIMCWZSEY-CQSZACIVSA-N 1 0 373.403 4.444 50 0 FIAARO C[NH+](C)CCCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000257357108 210004992 /nfs/dbraw/zinc/00/49/92/210004992.db2.gz MBIWTVJKSOCVJZ-FQOCKNPQSA-N 1 0 355.522 4.442 50 0 FIAARO CCOc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000022766963 209693478 /nfs/dbraw/zinc/69/34/78/209693478.db2.gz UENNDDZKCMTHOF-KRWDZBQOSA-N 1 0 359.495 4.105 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)sc2c1 ZINC000004359518 209417378 /nfs/dbraw/zinc/41/73/78/209417378.db2.gz QBMOKNLJGOCHNB-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CN(c1nc(-c2ccc(Cl)cc2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000000955722 209385073 /nfs/dbraw/zinc/38/50/73/209385073.db2.gz HHUNEPAIWIENOY-UHFFFAOYSA-N 1 0 366.896 4.481 50 0 FIAARO S=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000002623507 209394939 /nfs/dbraw/zinc/39/49/39/209394939.db2.gz UENQFCQVQAGWGN-UHFFFAOYSA-N 1 0 359.926 4.291 50 0 FIAARO CSCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000585309 209372862 /nfs/dbraw/zinc/37/28/62/209372862.db2.gz QNAQGVPVIBDJFC-UHFFFAOYSA-N 1 0 368.546 4.090 50 0 FIAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000049509298 209335826 /nfs/dbraw/zinc/33/58/26/209335826.db2.gz DDZBXELSLQDJBT-UHFFFAOYSA-N 1 0 355.309 4.378 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 ZINC000048341586 209330911 /nfs/dbraw/zinc/33/09/11/209330911.db2.gz JMXFLRGCLQSYLY-QZTJIDSGSA-N 1 0 354.494 4.007 50 0 FIAARO Cc1ccc([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281445 209149036 /nfs/dbraw/zinc/14/90/36/209149036.db2.gz PHPFSGRLXWCUSC-FCHUYYIVSA-N 1 0 354.538 4.213 50 0 FIAARO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccnn2C2CCCC2)c(C)c1 ZINC000013011213 220053267 /nfs/dbraw/zinc/05/32/67/220053267.db2.gz LLOAZXPALYCTPO-UHFFFAOYSA-N 1 0 354.498 4.076 50 0 FIAARO CC(C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000759144 206829602 /nfs/dbraw/zinc/82/96/02/206829602.db2.gz KOZMMZGWHLFBOI-CQSZACIVSA-N 1 0 351.277 4.460 50 0 FIAARO Cc1cccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)c1 ZINC000003665497 206989707 /nfs/dbraw/zinc/98/97/07/206989707.db2.gz KJHGERAFQUCALO-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO COC(=O)c1ccc(/C=C/C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 ZINC000004200113 207007474 /nfs/dbraw/zinc/00/74/74/207007474.db2.gz KSGXWAJLUUMQSF-MDWZMJQESA-N 1 0 350.438 4.201 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(SC)cc2)N3)C1 ZINC000004556403 207028221 /nfs/dbraw/zinc/02/82/21/207028221.db2.gz RMRYXTQFYUFNMC-MRXNPFEDSA-N 1 0 359.520 4.277 50 0 FIAARO Cc1ccccc1NC(=O)COc1ccccc1C[NH2+]C1CCCCC1 ZINC000004657632 207034998 /nfs/dbraw/zinc/03/49/98/207034998.db2.gz BVUSWROGSVYELM-UHFFFAOYSA-N 1 0 352.478 4.435 50 0 FIAARO COc1cccc(-c2c[nH+]c(NCc3cccc(Br)c3)n2C)c1 ZINC000004678406 207037171 /nfs/dbraw/zinc/03/71/71/207037171.db2.gz LDXMTDYOELUGIY-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000004691078 207039191 /nfs/dbraw/zinc/03/91/91/207039191.db2.gz MSVNXSGDGJHZMB-LVZFUZTISA-N 1 0 362.517 4.461 50 0 FIAARO c1ccc2sc(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000004967391 207066818 /nfs/dbraw/zinc/06/68/18/207066818.db2.gz JKCDJIJATSFBGF-MRXNPFEDSA-N 1 0 366.486 4.316 50 0 FIAARO O=C(c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000004976984 207068063 /nfs/dbraw/zinc/06/80/63/207068063.db2.gz GAXOGODMNWPIHV-UHFFFAOYSA-N 1 0 362.517 4.377 50 0 FIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC000004989024 207069813 /nfs/dbraw/zinc/06/98/13/207069813.db2.gz IKFWOZBFODVSBC-FQEVSTJZSA-N 1 0 353.462 4.041 50 0 FIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005051204 207076443 /nfs/dbraw/zinc/07/64/43/207076443.db2.gz WMLYDIBRHRFUSH-OAHLLOKOSA-N 1 0 370.518 4.159 50 0 FIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1csc2c1CCCCC2 ZINC000005070472 207078777 /nfs/dbraw/zinc/07/87/77/207078777.db2.gz DMWTYASLUYRGQH-UHFFFAOYSA-N 1 0 368.546 4.195 50 0 FIAARO C[NH+](C)CCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn21 ZINC000005246374 207090705 /nfs/dbraw/zinc/09/07/05/207090705.db2.gz XGZGRSCJKCEUBV-UHFFFAOYSA-N 1 0 357.461 4.037 50 0 FIAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1OC ZINC000005295519 207091755 /nfs/dbraw/zinc/09/17/55/207091755.db2.gz GRNHWVZRTOCEGS-PMACEKPBSA-N 1 0 369.505 4.220 50 0 FIAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000005606672 207109548 /nfs/dbraw/zinc/10/95/48/207109548.db2.gz DRIHPGMHJZGJCI-SFHVURJKSA-N 1 0 352.478 4.066 50 0 FIAARO CC[NH+](CC)CCC[C@@H](C)NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000005689563 207112117 /nfs/dbraw/zinc/11/21/17/207112117.db2.gz YALRSUWNXQHUIK-CYBMUJFWSA-N 1 0 359.486 4.085 50 0 FIAARO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 ZINC000005937562 207123655 /nfs/dbraw/zinc/12/36/55/207123655.db2.gz KQIRASASHDWWIA-PZJWPPBQSA-N 1 0 359.897 4.227 50 0 FIAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCCCC1 ZINC000006654294 207151466 /nfs/dbraw/zinc/15/14/66/207151466.db2.gz RUGYWFYWWYEIJC-UHFFFAOYSA-N 1 0 358.482 4.321 50 0 FIAARO C[N@H+](CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O)C1CCCCC1 ZINC000006809354 207169069 /nfs/dbraw/zinc/16/90/69/207169069.db2.gz WMQIPOOXMMLHSE-UHFFFAOYSA-N 1 0 372.900 4.186 50 0 FIAARO Cc1cccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000006877321 207174243 /nfs/dbraw/zinc/17/42/43/207174243.db2.gz MUXWYGAVOFHIET-UHFFFAOYSA-N 1 0 363.505 4.297 50 0 FIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000007540998 207198377 /nfs/dbraw/zinc/19/83/77/207198377.db2.gz PDSVHZRPUVFCPV-CQSZACIVSA-N 1 0 351.402 4.018 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000008338863 207230442 /nfs/dbraw/zinc/23/04/42/207230442.db2.gz GBULUPXKWJAEGK-GOSISDBHSA-N 1 0 352.434 4.178 50 0 FIAARO Cc1sc2nc(SCC[NH+]3CCCCC3)n(C(C)C)c(=O)c2c1C ZINC000008393365 207232599 /nfs/dbraw/zinc/23/25/99/207232599.db2.gz OOYAXYYZKPNTGN-UHFFFAOYSA-N 1 0 365.568 4.234 50 0 FIAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1/C=C/c1ccccc1 ZINC000009009565 207255954 /nfs/dbraw/zinc/25/59/54/207255954.db2.gz AMOUOHUNBLYWGV-KQDNUWKFSA-N 1 0 359.429 4.207 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000010280589 207298469 /nfs/dbraw/zinc/29/84/69/207298469.db2.gz IPHOBCSVOJDFPY-UHFFFAOYSA-N 1 0 374.431 4.204 50 0 FIAARO CC1(C)CC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC(C)(C)[NH2+]1 ZINC000010812944 207306140 /nfs/dbraw/zinc/30/61/40/207306140.db2.gz KYWBMKALTGWAIR-UHFFFAOYSA-N 1 0 370.518 4.347 50 0 FIAARO COc1cccc([C@H](CNC(=O)Nc2cccc3ccccc32)[NH+](C)C)c1 ZINC000011004852 207307943 /nfs/dbraw/zinc/30/79/43/207307943.db2.gz ZZCMZYKIYYSDOX-NRFANRHFSA-N 1 0 363.461 4.273 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1Cl ZINC000010456729 207300739 /nfs/dbraw/zinc/30/07/39/207300739.db2.gz STBANBGDYLPORI-UHFFFAOYSA-N 1 0 360.860 4.395 50 0 FIAARO CCn1nc(C)c(C[NH2+]Cc2c[nH]nc2-c2cccc3ccccc32)c1C ZINC000011662357 207316966 /nfs/dbraw/zinc/31/69/66/207316966.db2.gz ZYDIPEXLVQVJHJ-UHFFFAOYSA-N 1 0 359.477 4.353 50 0 FIAARO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000011754169 207320335 /nfs/dbraw/zinc/32/03/35/207320335.db2.gz QEFCIWGVIHLZNR-LJQANCHMSA-N 1 0 369.509 4.094 50 0 FIAARO COCc1cc(C[N@@H+]2CCC[C@H](C(=O)c3sccc3C)C2)ccc1OC ZINC000011775236 207321813 /nfs/dbraw/zinc/32/18/13/207321813.db2.gz VAPQYQLYOBXDCA-KRWDZBQOSA-N 1 0 373.518 4.306 50 0 FIAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1)NC1CC1 ZINC000011770741 207321835 /nfs/dbraw/zinc/32/18/35/207321835.db2.gz NYVNFUYGGPMKFB-SFHVURJKSA-N 1 0 370.537 4.279 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2ccccn2)CC1 ZINC000011821041 207323617 /nfs/dbraw/zinc/32/36/17/207323617.db2.gz CMFRDBHPLJEAQM-UHFFFAOYSA-N 1 0 372.896 4.123 50 0 FIAARO COCC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012076289 207335701 /nfs/dbraw/zinc/33/57/01/207335701.db2.gz AZZVJBRGTDBNLN-UHFFFAOYSA-N 1 0 353.441 4.065 50 0 FIAARO Cc1ccccc1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000012207723 207349166 /nfs/dbraw/zinc/34/91/66/207349166.db2.gz YZZWCMUQLQOWHS-UHFFFAOYSA-N 1 0 350.506 4.022 50 0 FIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(OCCO)cc3)C2)cc1 ZINC000012303770 207355035 /nfs/dbraw/zinc/35/50/35/207355035.db2.gz YDPKODURVXWYKD-JOCHJYFZSA-N 1 0 368.521 4.258 50 0 FIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000012303865 207355380 /nfs/dbraw/zinc/35/53/80/207355380.db2.gz YHGZVXWMCIIZJM-FQEVSTJZSA-N 1 0 365.477 4.467 50 0 FIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)c1 ZINC000012314041 207358252 /nfs/dbraw/zinc/35/82/52/207358252.db2.gz PQMOXVVJHSTPAQ-DEOSSOPVSA-N 1 0 365.517 4.487 50 0 FIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012306425 207358762 /nfs/dbraw/zinc/35/87/62/207358762.db2.gz JEMYZIANYKODRK-KRWDZBQOSA-N 1 0 365.477 4.467 50 0 FIAARO CC1(C)C[C@H](C[NH2+]Cc2cccnc2Oc2ccc(F)cc2F)CCO1 ZINC000012318949 207361114 /nfs/dbraw/zinc/36/11/14/207361114.db2.gz DORZBGSURBJRKO-CQSZACIVSA-N 1 0 362.420 4.447 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000012382525 207367464 /nfs/dbraw/zinc/36/74/64/207367464.db2.gz UKYYYIRJOPJNKM-UHFFFAOYSA-N 1 0 354.878 4.296 50 0 FIAARO O[C@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+]1CCCCCC1 ZINC000012421974 207374135 /nfs/dbraw/zinc/37/41/35/207374135.db2.gz FIOBYMQSTLWAEX-INIZCTEOSA-N 1 0 360.929 4.410 50 0 FIAARO CCc1[nH]c2ccc(C[NH2+]Cc3cc4c(c(OC)c3)OCO4)cc2c1C ZINC000012438580 207376014 /nfs/dbraw/zinc/37/60/14/207376014.db2.gz DKUDOMMOUSUKGI-UHFFFAOYSA-N 1 0 352.434 4.066 50 0 FIAARO COc1ccccc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2F)c1C ZINC000012455018 207380326 /nfs/dbraw/zinc/38/03/26/207380326.db2.gz PREJAXSZZXBIGS-ZDUSSCGKSA-N 1 0 357.404 4.318 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2ccsc2)C1 ZINC000012475967 207382733 /nfs/dbraw/zinc/38/27/33/207382733.db2.gz KDNHJTJRYMUTMO-HXUWFJFHSA-N 1 0 370.562 4.012 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2ccsc2)C1 ZINC000012475962 207383269 /nfs/dbraw/zinc/38/32/69/207383269.db2.gz KDNHJTJRYMUTMO-FQEVSTJZSA-N 1 0 370.562 4.012 50 0 FIAARO Cc1cc2c(s1)CCc1cc(C(=O)NCCC[NH+]3CCCC3)sc1-2 ZINC000021043608 207763042 /nfs/dbraw/zinc/76/30/42/207763042.db2.gz ZRVLJWLALWINTN-UHFFFAOYSA-N 1 0 360.548 4.099 50 0 FIAARO C[C@@H](NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000022197804 207798240 /nfs/dbraw/zinc/79/82/40/207798240.db2.gz HBXOTBZHHICZSD-LJQANCHMSA-N 1 0 350.506 4.209 50 0 FIAARO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000023994844 207857781 /nfs/dbraw/zinc/85/77/81/207857781.db2.gz GSXWWNRYXMTUKX-OAQYLSRUSA-N 1 0 358.489 4.440 50 0 FIAARO O=C(CCSc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000038583354 207911349 /nfs/dbraw/zinc/91/13/49/207911349.db2.gz ICMGWHDNPNPLIL-UHFFFAOYSA-N 1 0 368.546 4.197 50 0 FIAARO C[N@H+](CC(=O)Nc1cccc(Br)c1)[C@H]1CCc2ccccc21 ZINC000029482515 207991472 /nfs/dbraw/zinc/99/14/72/207991472.db2.gz PMMIGQRJUDUNCM-KRWDZBQOSA-N 1 0 359.267 4.007 50 0 FIAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879759 208051679 /nfs/dbraw/zinc/05/16/79/208051679.db2.gz QUAGLUCJKADMGV-QGZVFWFLSA-N 1 0 361.489 4.052 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000029953889 208000739 /nfs/dbraw/zinc/00/07/39/208000739.db2.gz VGEUNKUDVHRRFO-FQEVSTJZSA-N 1 0 367.880 4.229 50 0 FIAARO CC(C)c1ccc(OCC(=O)N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000032593456 208032176 /nfs/dbraw/zinc/03/21/76/208032176.db2.gz DVHCUIOUSQIYHR-UHFFFAOYSA-N 1 0 372.553 4.303 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1 ZINC000032741399 208037952 /nfs/dbraw/zinc/03/79/52/208037952.db2.gz NDFKNGFLFYHLQD-UHFFFAOYSA-N 1 0 358.485 4.269 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(F)cc1)c1cccc(OC)c1 ZINC000032902752 208054153 /nfs/dbraw/zinc/05/41/53/208054153.db2.gz QVKGNXOQXVYCLC-KVDXNUTJSA-N 1 0 370.468 4.047 50 0 FIAARO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCc4ccccc43)CC2)c1 ZINC000032936027 208060804 /nfs/dbraw/zinc/06/08/04/208060804.db2.gz ITLPQNWPEUVVCT-QHCPKHFHSA-N 1 0 362.517 4.196 50 0 FIAARO CCOc1ccc(C[N@H+](CC)Cc2cc(=O)oc3ccc(OC)cc23)cc1 ZINC000033018737 208066866 /nfs/dbraw/zinc/06/68/66/208066866.db2.gz WNNHVAAHBGQWNW-UHFFFAOYSA-N 1 0 367.445 4.222 50 0 FIAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1c1ccccc1 ZINC000034740395 208110102 /nfs/dbraw/zinc/11/01/02/208110102.db2.gz QXLUXORXUFTQCC-GMAHTHKFSA-N 1 0 368.521 4.308 50 0 FIAARO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)C(C)C ZINC000034991984 208117898 /nfs/dbraw/zinc/11/78/98/208117898.db2.gz YUZOAVAKDVMCKS-VIFPVBQESA-N 1 0 365.109 4.354 50 0 FIAARO CCOc1ccc(NC(=S)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000036847605 208173635 /nfs/dbraw/zinc/17/36/35/208173635.db2.gz IMNBJMGQVKSFSA-UHFFFAOYSA-N 1 0 371.550 4.412 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccccc1 ZINC000036103886 208146760 /nfs/dbraw/zinc/14/67/60/208146760.db2.gz VVFBVXIKWUPQFJ-OFNKIYASSA-N 1 0 355.522 4.482 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)o1 ZINC000036097919 208146913 /nfs/dbraw/zinc/14/69/13/208146913.db2.gz MXNIJAKBNHCICB-OAQYLSRUSA-N 1 0 353.437 4.333 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)c(C)c1 ZINC000036098999 208146929 /nfs/dbraw/zinc/14/69/29/208146929.db2.gz MUJPMCCZUMGXTN-QHCPKHFHSA-N 1 0 373.512 4.478 50 0 FIAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044933032 208321569 /nfs/dbraw/zinc/32/15/69/208321569.db2.gz QIYVVJWNJWMTRD-QFIPXVFZSA-N 1 0 366.480 4.232 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044933499 208321624 /nfs/dbraw/zinc/32/16/24/208321624.db2.gz JOMVUAHBNKYJFB-KRWDZBQOSA-N 1 0 354.469 4.224 50 0 FIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)cc1 ZINC000044935724 208321871 /nfs/dbraw/zinc/32/18/71/208321871.db2.gz MOWIPDSPOCZICI-JOCHJYFZSA-N 1 0 350.506 4.475 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000044932996 208322611 /nfs/dbraw/zinc/32/26/11/208322611.db2.gz NAGVRTXZMUEIPK-QHCPKHFHSA-N 1 0 362.517 4.401 50 0 FIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000044936261 208322973 /nfs/dbraw/zinc/32/29/73/208322973.db2.gz FVAAPUSTEYKBQE-JOCHJYFZSA-N 1 0 366.505 4.175 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044933493 208323234 /nfs/dbraw/zinc/32/32/34/208323234.db2.gz IZFPHZMVPFBRSD-QGZVFWFLSA-N 1 0 354.469 4.224 50 0 FIAARO C[C@@H]1CCCC[C@@H]1OCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000048237296 208392061 /nfs/dbraw/zinc/39/20/61/208392061.db2.gz FYCYQQRHCFJUHJ-VGSWGCGISA-N 1 0 370.537 4.139 50 0 FIAARO c1cc2nsnc2c(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)c1 ZINC000065490333 208682772 /nfs/dbraw/zinc/68/27/72/208682772.db2.gz QLBOCNGQWRTADK-QGZVFWFLSA-N 1 0 373.485 4.138 50 0 FIAARO Oc1ccc(-c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cc1 ZINC000072429326 208858230 /nfs/dbraw/zinc/85/82/30/208858230.db2.gz JMBWKTHJRKFQCD-UHFFFAOYSA-N 1 0 365.864 4.172 50 0 FIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cc[nH]c3C)CC2)C1 ZINC000092028715 209013405 /nfs/dbraw/zinc/01/34/05/209013405.db2.gz DKGZQMXIDCMPSP-HXUWFJFHSA-N 1 0 365.521 4.055 50 0 FIAARO COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095356936 209026384 /nfs/dbraw/zinc/02/63/84/209026384.db2.gz CDVKEHRUSCOTAA-QGZVFWFLSA-N 1 0 372.896 4.088 50 0 FIAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095362816 209028861 /nfs/dbraw/zinc/02/88/61/209028861.db2.gz KPSUVIQDAOUNKF-HXUWFJFHSA-N 1 0 373.500 4.115 50 0 FIAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC000092096520 209015851 /nfs/dbraw/zinc/01/58/51/209015851.db2.gz ORVYYKJHLKEUFU-UHFFFAOYSA-N 1 0 354.519 4.250 50 0 FIAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)CCCC2 ZINC000095386853 209044151 /nfs/dbraw/zinc/04/41/51/209044151.db2.gz HDRXDYZCSAOOHO-KRWDZBQOSA-N 1 0 366.505 4.248 50 0 FIAARO Cc1c(F)cccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095388661 209045740 /nfs/dbraw/zinc/04/57/40/209045740.db2.gz SXRXZFXNVRYLPC-HXUWFJFHSA-N 1 0 366.480 4.115 50 0 FIAARO CC[C@H]1CN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC[N@@H+]1C(C)C ZINC000095373690 209035816 /nfs/dbraw/zinc/03/58/16/209035816.db2.gz QBSSPZVEDUQZTB-HNNXBMFYSA-N 1 0 359.901 4.141 50 0 FIAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000095381629 209040771 /nfs/dbraw/zinc/04/07/71/209040771.db2.gz YFQWPNVFECATEP-RTBURBONSA-N 1 0 369.534 4.176 50 0 FIAARO CN(Cc1ccccc1F)C(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000095468506 209056180 /nfs/dbraw/zinc/05/61/80/209056180.db2.gz DKWFKDQHABVFBF-HXUWFJFHSA-N 1 0 360.860 4.178 50 0 FIAARO COc1cccc(Oc2ccc(NC(=O)NCC[C@@H]3CCC[N@@H+]3C)cc2)c1 ZINC000095498835 209061380 /nfs/dbraw/zinc/06/13/80/209061380.db2.gz ASFLEEMZTDRNDY-KRWDZBQOSA-N 1 0 369.465 4.093 50 0 FIAARO CCCOc1ccc(Cl)cc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095388955 209046641 /nfs/dbraw/zinc/04/66/41/209046641.db2.gz DZOFHJLLAMMLBC-QGZVFWFLSA-N 1 0 352.906 4.010 50 0 FIAARO c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000095502375 209064106 /nfs/dbraw/zinc/06/41/06/209064106.db2.gz LUKKDGHDHMQZDA-FQEVSTJZSA-N 1 0 368.525 4.117 50 0 FIAARO Cc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)cc[nH+]1 ZINC000077341707 132180976 /nfs/dbraw/zinc/18/09/76/132180976.db2.gz MIUUTIQVYJTQIH-UHFFFAOYSA-N 1 0 369.896 4.063 50 0 FIAARO Cc1ccc(-c2cccc(N3CCC([NH2+]C4CCOCC4)CC3)c2)cc1 ZINC000082039312 132193163 /nfs/dbraw/zinc/19/31/63/132193163.db2.gz PLOMNCXLWVXMDB-UHFFFAOYSA-N 1 0 350.506 4.399 50 0 FIAARO Cc1[nH+]c2ccccc2c(N2CCC(NC(=O)C(C)C)CC2)c1C(C)C ZINC000096006371 132216905 /nfs/dbraw/zinc/21/69/05/132216905.db2.gz GRSUUFIPJQAWFY-UHFFFAOYSA-N 1 0 353.510 4.408 50 0 FIAARO C[N@@H+]1CCN(c2ncnc3sc4c(c32)CCCC4)[C@@H](c2ccccc2)C1 ZINC000013015756 132267525 /nfs/dbraw/zinc/26/75/25/132267525.db2.gz VIYNBHMTFKWMML-QGZVFWFLSA-N 1 0 364.518 4.063 50 0 FIAARO CCCC1([NH2+]C2CCN(c3ccc(N4C(=O)CC[C@H]4C)cc3)CC2)CC1 ZINC000055393494 136126746 /nfs/dbraw/zinc/12/67/46/136126746.db2.gz MBBYXJAHWYJXFN-QGZVFWFLSA-N 1 0 355.526 4.093 50 0 FIAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc4cc(Cl)ccc4n3)[C@H]2C1 ZINC000426425116 263586687 /nfs/dbraw/zinc/58/66/87/263586687.db2.gz CBDCNPLQPMZTLS-YZGWKJHDSA-N 1 0 360.885 4.047 50 0 FIAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000020573267 521787183 /nfs/dbraw/zinc/78/71/83/521787183.db2.gz OMVACMSEFZLKAW-MJGOQNOKSA-N 1 0 366.977 4.245 50 0 FIAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000020455453 522001174 /nfs/dbraw/zinc/00/11/74/522001174.db2.gz QHCOIVSBTHFVHE-AWEZNQCLSA-N 1 0 363.889 4.022 50 0 FIAARO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578832 523080777 /nfs/dbraw/zinc/08/07/77/523080777.db2.gz AGWISLNBISLTME-QGZVFWFLSA-N 1 0 354.947 4.059 50 0 FIAARO Cc1cccc(C)c1NC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020889746 524288776 /nfs/dbraw/zinc/28/87/76/524288776.db2.gz NSXUTBWIJKPTAP-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000248244024 524319085 /nfs/dbraw/zinc/31/90/85/524319085.db2.gz KQOOYNSRNGDGAQ-ZTRCYEFESA-N 1 0 354.538 4.437 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 ZINC000020100420 524386272 /nfs/dbraw/zinc/38/62/72/524386272.db2.gz ACMAMEBJYZKFIC-UHFFFAOYSA-N 1 0 356.897 4.177 50 0 FIAARO Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c2ccccc2)cc1 ZINC000239433567 525978677 /nfs/dbraw/zinc/97/86/77/525978677.db2.gz XZUPZSNPYHGUPL-WTIAFYNJSA-N 1 0 353.506 4.336 50 0 FIAARO O=C(CCCc1cn(C[NH+]2CCCC2)c2ccccc12)N1CCCCC1 ZINC000020648629 526463552 /nfs/dbraw/zinc/46/35/52/526463552.db2.gz AJCMCNBKCKCVIQ-UHFFFAOYSA-N 1 0 353.510 4.030 50 0 FIAARO Clc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)c(Cl)c1 ZINC000020477300 526932509 /nfs/dbraw/zinc/93/25/09/526932509.db2.gz GGPSNNYCBMONIT-QGZVFWFLSA-N 1 0 351.277 4.437 50 0 FIAARO CC1(C)CC(NC(=O)Nc2ccccc2N2CCCCC2)CC(C)(C)[NH2+]1 ZINC000057869727 535288415 /nfs/dbraw/zinc/28/84/15/535288415.db2.gz JKLBFWDVXXPSGC-UHFFFAOYSA-N 1 0 358.530 4.108 50 0 FIAARO CCc1cnc(C)nc1N1CCC([NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000096152079 536019627 /nfs/dbraw/zinc/01/96/27/536019627.db2.gz KISLIQZLJLMJGP-UHFFFAOYSA-N 1 0 372.944 4.192 50 0 FIAARO CCc1cc2c(nc(CC)nc2N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000041090138 536158279 /nfs/dbraw/zinc/15/82/79/536158279.db2.gz KVFXSPVKDOQPEG-UHFFFAOYSA-N 1 0 366.534 4.138 50 0 FIAARO CCc1nc2sc3c(c2c(N2CC[NH+](C4CCCCC4)CC2)n1)CCC3 ZINC000041090228 536165159 /nfs/dbraw/zinc/16/51/59/536165159.db2.gz QRWGYFIUCDXYOW-UHFFFAOYSA-N 1 0 370.566 4.197 50 0 FIAARO COc1ccccc1C1CCN(Cc2sc(N(C)C)nc2Cl)CC1 ZINC000216208891 568112537 /nfs/dbraw/zinc/11/25/37/568112537.db2.gz RJJLFACRXXRUFL-UHFFFAOYSA-N 1 0 365.930 4.251 50 0 FIAARO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000753334 568177625 /nfs/dbraw/zinc/17/76/25/568177625.db2.gz BTTVNTIBAFEWEV-HXUWFJFHSA-N 1 0 359.897 4.034 50 0 FIAARO CCc1nc2ccccc2c(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c1C ZINC000000754599 568181357 /nfs/dbraw/zinc/18/13/57/568181357.db2.gz YHPPORWARGLPBZ-MRXNPFEDSA-N 1 0 361.489 4.265 50 0 FIAARO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000032932457 568427309 /nfs/dbraw/zinc/42/73/09/568427309.db2.gz IUXWWYNSGXOWSA-UUWJFWACSA-N 1 0 370.493 4.310 50 0 FIAARO CCCCC(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000022625628 570454475 /nfs/dbraw/zinc/45/44/75/570454475.db2.gz FZZWQALWSDYBGW-UHFFFAOYSA-N 1 0 362.517 4.209 50 0 FIAARO C[N@H+](CCOC(=O)COc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000002180663 570516291 /nfs/dbraw/zinc/51/62/91/570516291.db2.gz QKAQGXRGXNDBAV-UHFFFAOYSA-N 1 0 368.260 4.047 50 0 FIAARO CCOC(=O)c1cccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000002514500 570523125 /nfs/dbraw/zinc/52/31/25/570523125.db2.gz BWHUDYJAIVHDDG-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO O=C(c1ccccc1)N1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(F)c2)C1 ZINC000034698195 570530888 /nfs/dbraw/zinc/53/08/88/570530888.db2.gz BEOOZJXLEMYVEV-UNMCSNQZSA-N 1 0 366.480 4.167 50 0 FIAARO Ic1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000002838888 570535158 /nfs/dbraw/zinc/53/51/58/570535158.db2.gz HHIOZANCCFKIBC-UHFFFAOYSA-N 1 0 373.278 4.326 50 0 FIAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000004122520 570577257 /nfs/dbraw/zinc/57/72/57/570577257.db2.gz UBFXTDOIAGNQNI-UHFFFAOYSA-N 1 0 371.484 4.358 50 0 FIAARO O=C1NC2(C[C@H]1c1ccccc1)CCN(Cc1ccc(F)cc1Cl)CC2 ZINC000426474399 570606653 /nfs/dbraw/zinc/60/66/53/570606653.db2.gz TYCAYIGASKWDMK-SFHVURJKSA-N 1 0 372.871 4.117 50 0 FIAARO C[N@H+](CCCNC(=O)c1cccc(-c2ccc(O)c(F)c2)c1)C1CCCC1 ZINC000426552350 570615978 /nfs/dbraw/zinc/61/59/78/570615978.db2.gz PCLOZRUERXXTOF-UHFFFAOYSA-N 1 0 370.468 4.193 50 0 FIAARO O[C@H](C[NH2+]C1CCCC1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004320494 570696252 /nfs/dbraw/zinc/69/62/52/570696252.db2.gz ZIOICHLDYKLZBY-SOSWSAFESA-N 1 0 369.549 4.426 50 0 FIAARO Fc1ccc(N2CCC([N@@H+]3CCC[C@H](Nc4ccccc4)C3)CC2)cc1 ZINC000011937487 570712573 /nfs/dbraw/zinc/71/25/73/570712573.db2.gz XRYUNOGGBSUHPK-FQEVSTJZSA-N 1 0 353.485 4.371 50 0 FIAARO c1ccc(-c2nc3c(c(N4CC[NH+](C5CCCCC5)CC4)n2)CCC3)cc1 ZINC000012580275 570751444 /nfs/dbraw/zinc/75/14/44/570751444.db2.gz SUBXYAQNSXTFST-UHFFFAOYSA-N 1 0 362.521 4.087 50 0 FIAARO CC(=O)c1cccc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000012612867 570753313 /nfs/dbraw/zinc/75/33/13/570753313.db2.gz JIQBAWHYDGWYAF-UHFFFAOYSA-N 1 0 371.908 4.360 50 0 FIAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000012796862 570763034 /nfs/dbraw/zinc/76/30/34/570763034.db2.gz QVVZGWKXPVEFPK-OAHLLOKOSA-N 1 0 361.445 4.088 50 0 FIAARO Cn1cc(C[NH2+]C[C@@H]2CCCO2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000013595983 570780485 /nfs/dbraw/zinc/78/04/85/570780485.db2.gz QQBJIDNYPIZBIU-NRFANRHFSA-N 1 0 363.461 4.148 50 0 FIAARO O[C@]1(c2ccc(Cl)cc2Cl)C[n+]2ccccc2N1Cc1ccccc1 ZINC000013799122 570791598 /nfs/dbraw/zinc/79/15/98/570791598.db2.gz CBKPVWKMUGYFAL-FQEVSTJZSA-N 1 0 372.275 4.149 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CCCCC1 ZINC000014020642 570802354 /nfs/dbraw/zinc/80/23/54/570802354.db2.gz NEJJCHKYCAGIEF-UHFFFAOYSA-N 1 0 350.462 4.121 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000014263243 570817104 /nfs/dbraw/zinc/81/71/04/570817104.db2.gz ZLFJVVQRPOEFFB-GOSISDBHSA-N 1 0 369.852 4.028 50 0 FIAARO O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014962122 570826812 /nfs/dbraw/zinc/82/68/12/570826812.db2.gz KZTLACAJFKTBIN-SFHVURJKSA-N 1 0 353.510 4.014 50 0 FIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1C ZINC000014961249 570826855 /nfs/dbraw/zinc/82/68/55/570826855.db2.gz RAXVDVGVOXBIFK-QGZVFWFLSA-N 1 0 359.901 4.268 50 0 FIAARO CC(C)CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014995819 570828380 /nfs/dbraw/zinc/82/83/80/570828380.db2.gz WHXUVTYGXYWGRB-QGZVFWFLSA-N 1 0 356.432 4.222 50 0 FIAARO Cc1ccc([C@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000015018018 570830085 /nfs/dbraw/zinc/83/00/85/570830085.db2.gz BDUJJSNDCGLHIS-GGAORHGYSA-N 1 0 362.473 4.247 50 0 FIAARO CC(C)=CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000015066381 570830843 /nfs/dbraw/zinc/83/08/43/570830843.db2.gz QEPLDJJXJWWBNJ-UHFFFAOYSA-N 1 0 352.482 4.047 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000015070935 570831483 /nfs/dbraw/zinc/83/14/83/570831483.db2.gz MLWNVLKPRFUNJR-OAHLLOKOSA-N 1 0 350.409 4.319 50 0 FIAARO COCCN1CCC[C@]2(CC[N@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074099 570831981 /nfs/dbraw/zinc/83/19/81/570831981.db2.gz ZKPYDRZQFHGEHW-NRFANRHFSA-N 1 0 358.551 4.144 50 0 FIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1C ZINC000015075632 570832130 /nfs/dbraw/zinc/83/21/30/570832130.db2.gz DOHVCWYVYDSUPU-SFHVURJKSA-N 1 0 371.550 4.337 50 0 FIAARO c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1 ZINC000015079037 570832504 /nfs/dbraw/zinc/83/25/04/570832504.db2.gz DLYIWWYRJWTIKA-HXUWFJFHSA-N 1 0 360.461 4.345 50 0 FIAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2c1 ZINC000016353919 570854673 /nfs/dbraw/zinc/85/46/73/570854673.db2.gz VINFBPFYDDDKGD-OKZBNKHCSA-N 1 0 368.521 4.458 50 0 FIAARO O=C(COc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016401453 570855756 /nfs/dbraw/zinc/85/57/56/570855756.db2.gz XTXZCLDCWUZHJK-UHFFFAOYSA-N 1 0 358.869 4.343 50 0 FIAARO Cc1ccn2c(=O)cc(C[N@@H+](Cc3ccc(C(C)C)cc3)C3CC3)nc2c1 ZINC000016397108 570855798 /nfs/dbraw/zinc/85/57/98/570855798.db2.gz QFNINMFBUPDDEO-UHFFFAOYSA-N 1 0 361.489 4.291 50 0 FIAARO Clc1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c(Cl)c1 ZINC000018210659 570876826 /nfs/dbraw/zinc/87/68/26/570876826.db2.gz OSAGFCXTDQSLEG-UHFFFAOYSA-N 1 0 369.292 4.065 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019359140 570887589 /nfs/dbraw/zinc/88/75/89/570887589.db2.gz YZFRJMCZCTXVSK-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO O=C(NCc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019762288 570902181 /nfs/dbraw/zinc/90/21/81/570902181.db2.gz LMDQYBRUVAKQPZ-UHFFFAOYSA-N 1 0 356.469 4.175 50 0 FIAARO Cc1cc(C)c2c(NC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)nsc2n1 ZINC000019800366 570903265 /nfs/dbraw/zinc/90/32/65/570903265.db2.gz DRMVBAAHTKEKGQ-LLVKDONJSA-N 1 0 358.492 4.046 50 0 FIAARO Clc1ccc(COc2cccc(C[NH2+][C@@H]3CN4CCC3CC4)c2)cc1 ZINC000020477046 570917817 /nfs/dbraw/zinc/91/78/17/570917817.db2.gz UVFIQQYYYZCSKJ-OAQYLSRUSA-N 1 0 356.897 4.103 50 0 FIAARO Cc1cccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1C ZINC000021170902 570928845 /nfs/dbraw/zinc/92/88/45/570928845.db2.gz MXGRPAPUIFQKMH-NRFANRHFSA-N 1 0 372.553 4.329 50 0 FIAARO CCc1cccc(NC(=O)c2ccc(SCC[NH+](CC)CC)nc2)c1 ZINC000021663598 570932498 /nfs/dbraw/zinc/93/24/98/570932498.db2.gz QIAREUBMRAIXOB-UHFFFAOYSA-N 1 0 357.523 4.330 50 0 FIAARO CCC1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048288701 570941251 /nfs/dbraw/zinc/94/12/51/570941251.db2.gz ZIPSRZQXSUMLSC-UHFFFAOYSA-N 1 0 353.491 4.045 50 0 FIAARO CCC[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000022384864 570943288 /nfs/dbraw/zinc/94/32/88/570943288.db2.gz HKQSYAQMRUSWNN-INIZCTEOSA-N 1 0 367.518 4.494 50 0 FIAARO CCC[C@@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 ZINC000022384861 570943407 /nfs/dbraw/zinc/94/34/07/570943407.db2.gz HKQSYAQMRUSWNN-MRXNPFEDSA-N 1 0 367.518 4.494 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000012383429 570946741 /nfs/dbraw/zinc/94/67/41/570946741.db2.gz BZEHPSXJDGIMCW-LJQANCHMSA-N 1 0 352.522 4.271 50 0 FIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCC1CCCCC1 ZINC000022616343 570947857 /nfs/dbraw/zinc/94/78/57/570947857.db2.gz KXXSAAAAPRILTI-UHFFFAOYSA-N 1 0 357.542 4.436 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccs3)cc2F)N1 ZINC000048367224 570952672 /nfs/dbraw/zinc/95/26/72/570952672.db2.gz HTDHVYVUBUJFKP-QGZVFWFLSA-N 1 0 363.421 4.401 50 0 FIAARO COC[C@H]1CC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000023368220 570962009 /nfs/dbraw/zinc/96/20/09/570962009.db2.gz BKUSOFIBDHPRJN-SFHVURJKSA-N 1 0 368.496 4.430 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000025331044 570994428 /nfs/dbraw/zinc/99/44/28/570994428.db2.gz ATBQAEIVYBGKKA-CQSZACIVSA-N 1 0 373.305 4.096 50 0 FIAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)ccc2c1 ZINC000025364800 570994940 /nfs/dbraw/zinc/99/49/40/570994940.db2.gz NWJYQSVCCNZCRJ-INIZCTEOSA-N 1 0 358.445 4.280 50 0 FIAARO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580687 571013997 /nfs/dbraw/zinc/01/39/97/571013997.db2.gz QGWSYRJDEPKJHE-KRWDZBQOSA-N 1 0 362.926 4.287 50 0 FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000011027682 571027470 /nfs/dbraw/zinc/02/74/70/571027470.db2.gz WNWIUOAXCMPMNI-MRXNPFEDSA-N 1 0 368.424 4.334 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292431 571030343 /nfs/dbraw/zinc/03/03/43/571030343.db2.gz LAFLXYFUFPMUCQ-NRFANRHFSA-N 1 0 352.478 4.042 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000029328247 571038590 /nfs/dbraw/zinc/03/85/90/571038590.db2.gz YITHKZWXNMYMBI-UTKZUKDTSA-N 1 0 369.509 4.139 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1Br)[C@H]1CCc2ccccc21 ZINC000029483378 571040282 /nfs/dbraw/zinc/04/02/82/571040282.db2.gz YLFLWYLSRKUXAF-KRWDZBQOSA-N 1 0 359.267 4.007 50 0 FIAARO CCCOc1cccc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000225535052 571043646 /nfs/dbraw/zinc/04/36/46/571043646.db2.gz UZXWNDZNUQZKHW-FQEVSTJZSA-N 1 0 374.550 4.042 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCC(=O)N2CCc3ccccc32)C2CC2)o1 ZINC000030152792 571046064 /nfs/dbraw/zinc/04/60/64/571046064.db2.gz SNIDRVQYHGVCNS-UZLBHIALSA-N 1 0 364.489 4.347 50 0 FIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC ZINC000008750677 571059513 /nfs/dbraw/zinc/05/95/13/571059513.db2.gz HWPFSAWYKARLIE-HNNXBMFYSA-N 1 0 355.478 4.442 50 0 FIAARO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008862972 571063546 /nfs/dbraw/zinc/06/35/46/571063546.db2.gz USLKXMIYLMNPNQ-HXUWFJFHSA-N 1 0 372.534 4.033 50 0 FIAARO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008862971 571063835 /nfs/dbraw/zinc/06/38/35/571063835.db2.gz USLKXMIYLMNPNQ-FQEVSTJZSA-N 1 0 372.534 4.033 50 0 FIAARO COc1ccc(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1O ZINC000072308239 571065976 /nfs/dbraw/zinc/06/59/76/571065976.db2.gz OLLRCQPPJBAYIN-UHFFFAOYSA-N 1 0 373.456 4.348 50 0 FIAARO O=C(c1cccs1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000055043988 571073396 /nfs/dbraw/zinc/07/33/96/571073396.db2.gz OKTKZJYEMKGTEP-UHFFFAOYSA-N 1 0 354.519 4.232 50 0 FIAARO O[C@@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCCC1 ZINC000040373189 571095376 /nfs/dbraw/zinc/09/53/76/571095376.db2.gz UGWAIEFACIACGF-JOCHJYFZSA-N 1 0 353.506 4.072 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000084699912 571097294 /nfs/dbraw/zinc/09/72/94/571097294.db2.gz UQRSQANWYFCMSK-BZSNNMDCSA-N 1 0 374.491 4.326 50 0 FIAARO CCCn1cc(-c2ccnc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)n2)c(C)n1 ZINC000048441284 571108532 /nfs/dbraw/zinc/10/85/32/571108532.db2.gz JXRQXEYTPVMENO-UHFFFAOYSA-N 1 0 370.545 4.122 50 0 FIAARO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1cccc2ccccc21 ZINC000242389468 571111264 /nfs/dbraw/zinc/11/12/64/571111264.db2.gz ZXLZDQZQHGJFCD-KSEOMHKRSA-N 1 0 366.505 4.184 50 0 FIAARO COc1ccc(CC[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000055199940 571117790 /nfs/dbraw/zinc/11/77/90/571117790.db2.gz OBHBSSIUPFMMHZ-HNNXBMFYSA-N 1 0 353.441 4.335 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000058135765 571125686 /nfs/dbraw/zinc/12/56/86/571125686.db2.gz HVHQOYMDLQQMHG-QGZVFWFLSA-N 1 0 358.441 4.207 50 0 FIAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000071846824 571127186 /nfs/dbraw/zinc/12/71/86/571127186.db2.gz MAKBSLYIZDLBBZ-HXUWFJFHSA-N 1 0 365.452 4.227 50 0 FIAARO Cc1ccccc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012856470 571129320 /nfs/dbraw/zinc/12/93/20/571129320.db2.gz VAGBNHLFFHMGOB-UHFFFAOYSA-N 1 0 366.461 4.107 50 0 FIAARO Fc1cccc([C@@H]2CCCCCN2Cc2nnc(-c3cccnc3)o2)c1 ZINC000252478153 571131056 /nfs/dbraw/zinc/13/10/56/571131056.db2.gz AELJERKEYPOIRH-SFHVURJKSA-N 1 0 352.413 4.388 50 0 FIAARO Fc1cccc([C@H]2CCCCCN2Cc2nnc(-c3cccnc3)o2)c1 ZINC000252478152 571131094 /nfs/dbraw/zinc/13/10/94/571131094.db2.gz AELJERKEYPOIRH-GOSISDBHSA-N 1 0 352.413 4.388 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)CCc2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000060355155 571136232 /nfs/dbraw/zinc/13/62/32/571136232.db2.gz JZXFJSWHKCCIRB-GOSISDBHSA-N 1 0 360.885 4.127 50 0 FIAARO CC(C)n1cc(-c2c(-c3ccccc3)ncn2[C@H]2C[NH+]3CCC2CC3)cn1 ZINC000065387849 571142675 /nfs/dbraw/zinc/14/26/75/571142675.db2.gz JFPFDVHPGATUEM-FQEVSTJZSA-N 1 0 361.493 4.261 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccsc1 ZINC000025330660 571143462 /nfs/dbraw/zinc/14/34/62/571143462.db2.gz UITXZNIAKSOMGF-IBGZPJMESA-N 1 0 358.551 4.397 50 0 FIAARO Cc1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)ccc1O ZINC000065499156 571144192 /nfs/dbraw/zinc/14/41/92/571144192.db2.gz CDQKJSUMKFUJMF-JOCHJYFZSA-N 1 0 374.484 4.244 50 0 FIAARO CC[C@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000065506985 571144599 /nfs/dbraw/zinc/14/45/99/571144599.db2.gz ZIFHQIURSHOIMX-NRFANRHFSA-N 1 0 363.461 4.048 50 0 FIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc(O)c4)C3)C2)c1 ZINC000055118730 571145127 /nfs/dbraw/zinc/14/51/27/571145127.db2.gz AZPAYJMLFAYWNS-QHCPKHFHSA-N 1 0 350.506 4.189 50 0 FIAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CC[C@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067726137 571149035 /nfs/dbraw/zinc/14/90/35/571149035.db2.gz PRXNQQQQHQMOQG-GOSISDBHSA-N 1 0 372.534 4.108 50 0 FIAARO Cc1nnsc1CN1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067866910 571150411 /nfs/dbraw/zinc/15/04/11/571150411.db2.gz VTPHNPMAMLTDCM-UHFFFAOYSA-N 1 0 362.458 4.213 50 0 FIAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cc(C3CC3)on2)c1 ZINC000075110448 571156176 /nfs/dbraw/zinc/15/61/76/571156176.db2.gz UZSITXQRPWRHNJ-UHFFFAOYSA-N 1 0 355.482 4.104 50 0 FIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071775875 571166544 /nfs/dbraw/zinc/16/65/44/571166544.db2.gz IWVPHLCWUSVJIK-SFHVURJKSA-N 1 0 362.489 4.091 50 0 FIAARO c1coc(-c2nnc(SCc3cn4ccccc4n3)n2-c2ccccc2)c1 ZINC000005886837 571167321 /nfs/dbraw/zinc/16/73/21/571167321.db2.gz TVOGZTQWQBWBSN-UHFFFAOYSA-N 1 0 373.441 4.467 50 0 FIAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC(c3ccccn3)C2)o1 ZINC000072129425 571170834 /nfs/dbraw/zinc/17/08/34/571170834.db2.gz GLBVEMJBKLXIHD-UHFFFAOYSA-N 1 0 370.456 4.435 50 0 FIAARO Cc1ccc(-c2cccc(C[NH+]3CCC(c4cc(=O)[nH]c(C)n4)CC3)c2)o1 ZINC000072131803 571171114 /nfs/dbraw/zinc/17/11/14/571171114.db2.gz HWFKQKIMAYXHDV-UHFFFAOYSA-N 1 0 363.461 4.439 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)cc1F ZINC000575622580 571173129 /nfs/dbraw/zinc/17/31/29/571173129.db2.gz ZYKNJBBVNAPGRA-QGZVFWFLSA-N 1 0 372.465 4.082 50 0 FIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072148685 571174096 /nfs/dbraw/zinc/17/40/96/571174096.db2.gz RSFPYYBVQMQCHM-INIZCTEOSA-N 1 0 359.429 4.203 50 0 FIAARO CC1(C)C[C@@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000072149931 571174148 /nfs/dbraw/zinc/17/41/48/571174148.db2.gz FRDSPDYPAQVJCQ-HNNXBMFYSA-N 1 0 371.443 4.194 50 0 FIAARO Cc1ccc(-c2nc3sccn3c2C[NH+]2CC(c3ccncc3)C2)cc1 ZINC000072151490 571174377 /nfs/dbraw/zinc/17/43/77/571174377.db2.gz OEGJLDPRMFIXIF-UHFFFAOYSA-N 1 0 360.486 4.366 50 0 FIAARO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cc1F ZINC000072151758 571174501 /nfs/dbraw/zinc/17/45/01/571174501.db2.gz NJUAAZWFXABTFA-MRXNPFEDSA-N 1 0 372.406 4.212 50 0 FIAARO CCCCC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000072157057 571175120 /nfs/dbraw/zinc/17/51/20/571175120.db2.gz XEFZKGVKZFPLLP-KRWDZBQOSA-N 1 0 364.480 4.216 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)s3)cc2C)CC1 ZINC000012538311 571176324 /nfs/dbraw/zinc/17/63/24/571176324.db2.gz MXCLBXQWACFUBA-UHFFFAOYSA-N 1 0 363.914 4.104 50 0 FIAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)o1 ZINC000072167062 571176699 /nfs/dbraw/zinc/17/66/99/571176699.db2.gz SWEYPQDNBOVJPL-GOSISDBHSA-N 1 0 363.461 4.026 50 0 FIAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072168719 571176960 /nfs/dbraw/zinc/17/69/60/571176960.db2.gz YAHUZSXZKPCUSM-KRWDZBQOSA-N 1 0 370.459 4.217 50 0 FIAARO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000229376306 571177854 /nfs/dbraw/zinc/17/78/54/571177854.db2.gz TYCPLHFIRBFYMR-DNVCBOLYSA-N 1 0 373.447 4.470 50 0 FIAARO O=C(Nc1ccc(F)cc1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483573 571189053 /nfs/dbraw/zinc/18/90/53/571189053.db2.gz NMAUPIJCTXADPR-UHFFFAOYSA-N 1 0 369.465 4.108 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCCc1cccs1 ZINC000299756266 571192264 /nfs/dbraw/zinc/19/22/64/571192264.db2.gz FMYLWMPZDDIAJP-UHFFFAOYSA-N 1 0 354.475 4.063 50 0 FIAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N2CCC(F)(F)CC2)c1 ZINC000299757990 571192426 /nfs/dbraw/zinc/19/24/26/571192426.db2.gz JIALPRUFKLYCDO-HNNXBMFYSA-N 1 0 351.441 4.324 50 0 FIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C ZINC000072437707 571196850 /nfs/dbraw/zinc/19/68/50/571196850.db2.gz DBSUIBCWAHVZGF-JOCHJYFZSA-N 1 0 350.506 4.475 50 0 FIAARO CC[C@@H]1C[N@H+](Cc2scnc2C)[C@H](CC)CN1Cc1scnc1C ZINC000092107746 571198096 /nfs/dbraw/zinc/19/80/96/571198096.db2.gz GYDRGYFZGJVZDN-HZPDHXFCSA-N 1 0 364.584 4.091 50 0 FIAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2sc(CCOC)nc2C)C12CCCC2 ZINC000092753723 571198965 /nfs/dbraw/zinc/19/89/65/571198965.db2.gz VSACRZXFFBFASW-NUEKZKHPSA-N 1 0 352.544 4.029 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072478547 571199533 /nfs/dbraw/zinc/19/95/33/571199533.db2.gz TULZPBMSTIGZOZ-HSZRJFAPSA-N 1 0 367.537 4.482 50 0 FIAARO Cc1cccnc1-c1cccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000299791740 571201086 /nfs/dbraw/zinc/20/10/86/571201086.db2.gz FKYBUKIEHOZUTN-UHFFFAOYSA-N 1 0 373.500 4.391 50 0 FIAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000077319933 571207365 /nfs/dbraw/zinc/20/73/65/571207365.db2.gz GLYZHKCKDAZMIP-IBGZPJMESA-N 1 0 350.466 4.062 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000097230573 571216874 /nfs/dbraw/zinc/21/68/74/571216874.db2.gz GFNULJBVDNEMSE-SFHVURJKSA-N 1 0 357.425 4.080 50 0 FIAARO CC(C)(C)c1ccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023128037 571217474 /nfs/dbraw/zinc/21/74/74/571217474.db2.gz STRMCTNAUNAVAB-UHFFFAOYSA-N 1 0 354.494 4.219 50 0 FIAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4cc(O)ccc4c3)cc2)C1 ZINC000426523706 571229975 /nfs/dbraw/zinc/22/99/75/571229975.db2.gz RUPCOBAPOUAXKG-QFIPXVFZSA-N 1 0 374.484 4.379 50 0 FIAARO O=C(c1cccc(C[NH+]2CCCCCC2)c1)N(Cc1nccs1)C1CC1 ZINC000426689325 571235259 /nfs/dbraw/zinc/23/52/59/571235259.db2.gz VAPHJVRJUNEENY-UHFFFAOYSA-N 1 0 369.534 4.324 50 0 FIAARO CO[C@]12CC[N@H+](Cc3ccc(Cl)s3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426700067 571235607 /nfs/dbraw/zinc/23/56/07/571235607.db2.gz PNLXBHQBFYIKOZ-QILLFSRXSA-N 1 0 355.931 4.340 50 0 FIAARO CN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426707253 571235851 /nfs/dbraw/zinc/23/58/51/571235851.db2.gz SCEPRMDQWQWZGW-HXUWFJFHSA-N 1 0 355.482 4.038 50 0 FIAARO CCn1ccnc1C1CC[NH+](Cc2ccccc2-n2nc(C)cc2C)CC1 ZINC000091636003 571241595 /nfs/dbraw/zinc/24/15/95/571241595.db2.gz SRTVFRDJMULMPW-UHFFFAOYSA-N 1 0 363.509 4.085 50 0 FIAARO COc1ccc(C[N@H+](C2CC2)C2CCCC2)c(Br)c1OC ZINC000064809389 571243349 /nfs/dbraw/zinc/24/33/49/571243349.db2.gz JWEYVNAARQLSIL-UHFFFAOYSA-N 1 0 354.288 4.373 50 0 FIAARO CC[C@@H](NC(=O)C1=CC[N@H+](Cc2cccc(C)c2)CC1)c1cccs1 ZINC000064818036 571243899 /nfs/dbraw/zinc/24/38/99/571243899.db2.gz BULAFTJQAUGMOL-LJQANCHMSA-N 1 0 354.519 4.456 50 0 FIAARO Cc1oc2c(c1C(=O)NC1CCCC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289685 571260705 /nfs/dbraw/zinc/26/07/05/571260705.db2.gz NDGIZZDQXBUNII-UHFFFAOYSA-N 1 0 352.478 4.127 50 0 FIAARO O[C@@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000170091582 571262342 /nfs/dbraw/zinc/26/23/42/571262342.db2.gz PASVLXBMPDSESM-LJQANCHMSA-N 1 0 371.481 4.223 50 0 FIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)C1CCCC1 ZINC000065553793 571264729 /nfs/dbraw/zinc/26/47/29/571264729.db2.gz IUBRWGKVHFXVGF-LJQANCHMSA-N 1 0 371.481 4.164 50 0 FIAARO CCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000065592960 571265258 /nfs/dbraw/zinc/26/52/58/571265258.db2.gz XDGQOFIFDPOALB-ZDUSSCGKSA-N 1 0 373.324 4.141 50 0 FIAARO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 ZINC000065592808 571265266 /nfs/dbraw/zinc/26/52/66/571265266.db2.gz WPVSRIRDKWPDOD-CYBMUJFWSA-N 1 0 373.324 4.141 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCC4)cc2)CC1 ZINC000007719205 571286445 /nfs/dbraw/zinc/28/64/45/571286445.db2.gz HEASTNHKRBKEBH-UHFFFAOYSA-N 1 0 369.534 4.021 50 0 FIAARO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000253392208 571311914 /nfs/dbraw/zinc/31/19/14/571311914.db2.gz HFSFNHORMIHPAT-IAGOWNOFSA-N 1 0 356.897 4.495 50 0 FIAARO O=C(Nc1ccccc1)NC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000055031957 571318185 /nfs/dbraw/zinc/31/81/85/571318185.db2.gz YLOROBFQEUHCSB-UHFFFAOYSA-N 1 0 360.461 4.021 50 0 FIAARO Clc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cccn3)cc2)cc1 ZINC000079919742 571328080 /nfs/dbraw/zinc/32/80/80/571328080.db2.gz PZWCGUPPEALJNW-UHFFFAOYSA-N 1 0 363.852 4.206 50 0 FIAARO CCC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756565 571331683 /nfs/dbraw/zinc/33/16/83/571331683.db2.gz AVDNBGWMBOVJHY-FGZHOGPDSA-N 1 0 373.924 4.444 50 0 FIAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000002933970 571341975 /nfs/dbraw/zinc/34/19/75/571341975.db2.gz RMDOVFZDONAWJT-AWEZNQCLSA-N 1 0 362.930 4.057 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000057315253 571342568 /nfs/dbraw/zinc/34/25/68/571342568.db2.gz SHNFPECLZFCHSM-LLVKDONJSA-N 1 0 368.811 4.225 50 0 FIAARO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000057369665 571342898 /nfs/dbraw/zinc/34/28/98/571342898.db2.gz XSANLMOQFFALMF-HNNXBMFYSA-N 1 0 364.445 4.146 50 0 FIAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000057406359 571343214 /nfs/dbraw/zinc/34/32/14/571343214.db2.gz KIHXICPAXXYZBY-MRXNPFEDSA-N 1 0 374.440 4.122 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000003304165 571346965 /nfs/dbraw/zinc/34/69/65/571346965.db2.gz HTBQDTGPWILDGT-QFIPXVFZSA-N 1 0 361.489 4.079 50 0 FIAARO COc1ccc(NC(=S)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000003999349 571353724 /nfs/dbraw/zinc/35/37/24/571353724.db2.gz FZLNTZOVDASIPF-AZUAARDMSA-N 1 0 367.518 4.008 50 0 biogenic FIAARO COc1cccc2c1OCCCN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000670468900 571359507 /nfs/dbraw/zinc/35/95/07/571359507.db2.gz XBOIFHGXURCQNF-UHFFFAOYSA-N 1 0 372.534 4.137 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C(C)C)n2)CC1 ZINC000179467705 1083471219 /nfs/dbraw/zinc/47/12/19/1083471219.db2.gz NDGGNGCJCFQTBL-UHFFFAOYSA-N 1 0 367.493 4.064 50 0 FIAARO O=C(NCc1cc2ccccc2o1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177416029 1083949554 /nfs/dbraw/zinc/94/95/54/1083949554.db2.gz ZYAADXCNYVNNDY-UHFFFAOYSA-N 1 0 355.482 4.029 50 0 FIAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 ZINC000194239753 1083977203 /nfs/dbraw/zinc/97/72/03/1083977203.db2.gz AAPQNOQXYADKHY-UHFFFAOYSA-N 1 0 360.527 4.272 50 0 FIAARO C[NH+]1CCN(c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)CC1 ZINC000005030516 1086488320 /nfs/dbraw/zinc/48/83/20/1086488320.db2.gz ARHJWUFHXSQQFK-UHFFFAOYSA-N 1 0 364.880 4.216 50 0 FIAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000178271254 1088827897 /nfs/dbraw/zinc/82/78/97/1088827897.db2.gz DTUDQMKPFHLVGX-IBGZPJMESA-N 1 0 370.880 4.058 50 0 FIAARO C[NH+]1CCC(Cc2ccc(CN(C(=O)C3CCCC3)C3CC3)cc2)CC1 ZINC000581810491 1090401443 /nfs/dbraw/zinc/40/14/43/1090401443.db2.gz WZSCLGNDODYHDV-UHFFFAOYSA-N 1 0 354.538 4.252 50 0 FIAARO Fc1ccc(-c2nc(CCC3CC[NH+](Cc4cccnc4)CC3)no2)cc1 ZINC000675019260 1090900619 /nfs/dbraw/zinc/90/06/19/1090900619.db2.gz KQMHUVWYBZZOLZ-UHFFFAOYSA-N 1 0 366.440 4.116 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1 ZINC000299872772 1091719975 /nfs/dbraw/zinc/71/99/75/1091719975.db2.gz HMILSMGINCXLBS-CGDAUVCTSA-N 1 0 363.586 4.119 50 0 FIAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000000858747 1091906903 /nfs/dbraw/zinc/90/69/03/1091906903.db2.gz GGBKVCLOHXJYCD-UHFFFAOYSA-N 1 0 368.868 4.038 50 0 aggregator FIAARO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc3[nH]ccc3c2)CCCCCN1 ZINC000257181208 1115669346 /nfs/dbraw/zinc/66/93/46/1115669346.db2.gz MTTKVHCRDCKYFQ-JOCHJYFZSA-N 1 0 361.489 4.401 50 0 FIAARO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000529552036 1124152727 /nfs/dbraw/zinc/15/27/27/1124152727.db2.gz WUJJUTCWSRAUDZ-KGLIPLIRSA-N 1 0 359.420 4.418 50 0 FIAARO C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000529552038 1124154158 /nfs/dbraw/zinc/15/41/58/1124154158.db2.gz WUJJUTCWSRAUDZ-ZIAGYGMSSA-N 1 0 359.420 4.418 50 0 FIAARO CC(C)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(C(C)C)cc3)CC2)O1 ZINC000011782624 1125111491 /nfs/dbraw/zinc/11/14/91/1125111491.db2.gz FTKJAROQDIKNQQ-NRFANRHFSA-N 1 0 372.553 4.096 50 0 FIAARO COc1cccc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024378 209881409 /nfs/dbraw/zinc/88/14/09/209881409.db2.gz ITFVNZBNOFCOJG-UHFFFAOYSA-N 1 0 355.463 4.186 50 0 FIAARO CCCC[NH+](CCCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003179504 209398664 /nfs/dbraw/zinc/39/86/64/209398664.db2.gz ZLQXVBRFTUNKQF-UHFFFAOYSA-N 1 0 374.978 4.299 50 0 FIAARO C[C@H]([NH2+]CC(=O)NCCSc1ccccc1)c1ccc2ccccc2c1 ZINC000049580902 209335728 /nfs/dbraw/zinc/33/57/28/209335728.db2.gz HMXZOAIOVFRUSZ-KRWDZBQOSA-N 1 0 364.514 4.399 50 0 FIAARO CCc1nc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)s1 ZINC000097805541 209198767 /nfs/dbraw/zinc/19/87/67/209198767.db2.gz VBQLLLSKJFBQRZ-SFHVURJKSA-N 1 0 371.550 4.361 50 0 FIAARO Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCC(c3ncncc3C)CC2)c1 ZINC000097632021 209190345 /nfs/dbraw/zinc/19/03/45/209190345.db2.gz QMZLHOMKUUKUOJ-UHFFFAOYSA-N 1 0 361.493 4.172 50 0 FIAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCc2sccc2C1 ZINC000013006508 220051744 /nfs/dbraw/zinc/05/17/44/220051744.db2.gz WVTJEPWOZBTIJN-FQEVSTJZSA-N 1 0 365.498 4.213 50 0 FIAARO CC[NH+](CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1 ZINC000000754448 206830179 /nfs/dbraw/zinc/83/01/79/206830179.db2.gz WXWQXEHCQLZGDB-UHFFFAOYSA-N 1 0 367.522 4.445 50 0 FIAARO Cc1ccsc1C[NH+]1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000001179393 206865157 /nfs/dbraw/zinc/86/51/57/206865157.db2.gz MUBLVRDCZSXMPI-UHFFFAOYSA-N 1 0 362.926 4.238 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccccn2)c1 ZINC000003025933 206953451 /nfs/dbraw/zinc/95/34/51/206953451.db2.gz KUSMJVHRBZPAHQ-OAHLLOKOSA-N 1 0 374.579 4.125 50 0 FIAARO CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccco3)sc2c1 ZINC000004359457 207015168 /nfs/dbraw/zinc/01/51/68/207015168.db2.gz CRHXVKVKMLDPQD-UHFFFAOYSA-N 1 0 371.506 4.440 50 0 FIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(F)cc1 ZINC000004413572 207019028 /nfs/dbraw/zinc/01/90/28/207019028.db2.gz MYTLHDYCLGKVFJ-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(F)cccc2Cl)N3)C1 ZINC000004556413 207028456 /nfs/dbraw/zinc/02/84/56/207028456.db2.gz XVRZOXCGUVKPDF-OAHLLOKOSA-N 1 0 365.861 4.348 50 0 FIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000004749985 207046631 /nfs/dbraw/zinc/04/66/31/207046631.db2.gz HFJDYQNFJZTOBV-UHFFFAOYSA-N 1 0 371.893 4.116 50 0 FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004725500 207041549 /nfs/dbraw/zinc/04/15/49/207041549.db2.gz PWVYFHIVVKFNHW-UHFFFAOYSA-N 1 0 364.533 4.380 50 0 FIAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 ZINC000004746175 207044186 /nfs/dbraw/zinc/04/41/86/207044186.db2.gz BYXOBSBAQAKJRU-HXUWFJFHSA-N 1 0 368.908 4.137 50 0 FIAARO O=C(NCCC[NH+]1CCCC1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938278 207064385 /nfs/dbraw/zinc/06/43/85/207064385.db2.gz DIFKFIKRWZMOHH-UHFFFAOYSA-N 1 0 373.909 4.319 50 0 FIAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1ccccc1Cl ZINC000005027712 207073592 /nfs/dbraw/zinc/07/35/92/207073592.db2.gz DNKBFCZLBROFSE-QGZVFWFLSA-N 1 0 363.885 4.178 50 0 FIAARO CC(C)(C)c1ccc([C@@]2(O)CN3CCCSC3=[N+]2c2ccccc2)cc1 ZINC000005726815 207114663 /nfs/dbraw/zinc/11/46/63/207114663.db2.gz FMFZKFMKJSWNRF-QFIPXVFZSA-N 1 0 367.538 4.155 50 0 FIAARO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000006451863 207140269 /nfs/dbraw/zinc/14/02/69/207140269.db2.gz XDHLIZFUNBHEKF-AVCGJXAMSA-N 1 0 353.506 4.194 50 0 FIAARO Cc1cc2oc(=O)cc(CSC3=[NH+]CC(C)(C)CN3)c2cc1C(C)C ZINC000006881349 207174817 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354.519 4.194 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccccc2F)cc1 ZINC000025302149 570993176 /nfs/dbraw/zinc/99/31/76/570993176.db2.gz IXBUGEWJPBWPTL-NQIIRXRSSA-N 1 0 373.468 4.191 50 0 FIAARO Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000026241546 571003467 /nfs/dbraw/zinc/00/34/67/571003467.db2.gz GIBKULDXKMCYJJ-UHFFFAOYSA-N 1 0 357.523 4.113 50 0 FIAARO COCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000026448156 571005660 /nfs/dbraw/zinc/00/56/60/571005660.db2.gz SSNLXNAAGVKICW-UHFFFAOYSA-N 1 0 359.297 4.213 50 0 FIAARO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000027287783 571011597 /nfs/dbraw/zinc/01/15/97/571011597.db2.gz MPDQGUSGVJYZBS-UHFFFAOYSA-N 1 0 362.395 4.230 50 0 FIAARO CCc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580651 571013956 /nfs/dbraw/zinc/01/39/56/571013956.db2.gz YUINCNZGGHFOOA-LJQANCHMSA-N 1 0 372.534 4.033 50 0 FIAARO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc(C)c1Cl ZINC000027581390 571014058 /nfs/dbraw/zinc/01/40/58/571014058.db2.gz ZZGRLJFRRHYJOM-INIZCTEOSA-N 1 0 366.933 4.105 50 0 FIAARO CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582193 571014404 /nfs/dbraw/zinc/01/44/04/571014404.db2.gz BURRSHNNMZLBGU-LJQANCHMSA-N 1 0 372.534 4.494 50 0 FIAARO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782720 571021302 /nfs/dbraw/zinc/02/13/02/571021302.db2.gz UUJIHEMOHXIOBG-UHFFFAOYSA-N 1 0 359.514 4.059 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289294 571029571 /nfs/dbraw/zinc/02/95/71/571029571.db2.gz LAEQBXNBSNDRCU-FQEVSTJZSA-N 1 0 368.521 4.090 50 0 FIAARO c1ncn(C2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)n1 ZINC000225420072 571034062 /nfs/dbraw/zinc/03/40/62/571034062.db2.gz RIFZJOHUFIHMSL-UHFFFAOYSA-N 1 0 360.505 4.017 50 0 FIAARO CC[NH+]1CCC(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000029607158 571041974 /nfs/dbraw/zinc/04/19/74/571041974.db2.gz PYRUOLIMRLVLDT-UHFFFAOYSA-N 1 0 367.276 4.468 50 0 FIAARO CC(=O)Nc1cc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000225567108 571045745 /nfs/dbraw/zinc/04/57/45/571045745.db2.gz FBZAGYVPGFYGIY-MAUKXSAKSA-N 1 0 355.457 4.107 50 0 FIAARO O=C(CCSc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584546 571046403 /nfs/dbraw/zinc/04/64/03/571046403.db2.gz UJHNGCGLYHCMQF-UHFFFAOYSA-N 1 0 374.575 4.259 50 0 FIAARO Cc1ccc(C2=NN(C(=O)CC[NH+]3CCCCC3)[C@@H](c3ccco3)C2)cc1 ZINC000001306425 571048641 /nfs/dbraw/zinc/04/86/41/571048641.db2.gz YHDVDSVNDMGAKU-HXUWFJFHSA-N 1 0 365.477 4.142 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000038673455 571048812 /nfs/dbraw/zinc/04/88/12/571048812.db2.gz BCXMEMQHLJBLHL-AWEZNQCLSA-N 1 0 357.401 4.191 50 0 FIAARO Cc1ccc2nc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000012741333 571063499 /nfs/dbraw/zinc/06/34/99/571063499.db2.gz IOIWXWJJGZLIAN-UHFFFAOYSA-N 1 0 373.500 4.246 50 0 FIAARO Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000002841697 571068820 /nfs/dbraw/zinc/06/88/20/571068820.db2.gz CWJUGFJMCXYHKH-UHFFFAOYSA-N 1 0 352.478 4.307 50 0 FIAARO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc2[nH]ccc21 ZINC000072310062 571071024 /nfs/dbraw/zinc/07/10/24/571071024.db2.gz DHPAOKANTDPBBU-FQEVSTJZSA-N 1 0 367.880 4.388 50 0 FIAARO Brc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)o1 ZINC000022575822 571071602 /nfs/dbraw/zinc/07/16/02/571071602.db2.gz ZTYOGEWKQHYXSX-WMZOPIPTSA-N 1 0 367.331 4.271 50 0 FIAARO CC(C)c1noc(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)n1 ZINC000068982954 571073326 /nfs/dbraw/zinc/07/33/26/571073326.db2.gz ANBBFSMUZCBRHX-UHFFFAOYSA-N 1 0 368.264 4.108 50 0 FIAARO COc1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000084633099 571093739 /nfs/dbraw/zinc/09/37/39/571093739.db2.gz HXAJXOWNUMVAAR-QGZVFWFLSA-N 1 0 364.493 4.400 50 0 FIAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000084789074 571100172 /nfs/dbraw/zinc/10/01/72/571100172.db2.gz QWYRNSACJKKVEC-MOPGFXCFSA-N 1 0 370.443 4.331 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069629666 571100518 /nfs/dbraw/zinc/10/05/18/571100518.db2.gz JDXWSZIQRCRXJW-INIZCTEOSA-N 1 0 358.869 4.167 50 0 FIAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000015669120 571101316 /nfs/dbraw/zinc/10/13/16/571101316.db2.gz SYBSTQPMSNCOIU-UHFFFAOYSA-N 1 0 362.477 4.213 50 0 FIAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(F)ccc1F ZINC000060331527 571108849 /nfs/dbraw/zinc/10/88/49/571108849.db2.gz TVFZQIYRRFKWLZ-UHFFFAOYSA-N 1 0 362.445 4.074 50 0 FIAARO COc1ccccc1OCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000240936910 571109243 /nfs/dbraw/zinc/10/92/43/571109243.db2.gz SFSSXFUQMVWVLI-LJQANCHMSA-N 1 0 365.477 4.188 50 0 FIAARO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1cccc2ccccc21 ZINC000242389467 571111153 /nfs/dbraw/zinc/11/11/53/571111153.db2.gz ZXLZDQZQHGJFCD-FCEUIQTBSA-N 1 0 366.505 4.184 50 0 FIAARO Cc1ccc(NCc2ccc(C(=O)NCCCC[NH+]3CCCC3)cc2)cc1 ZINC000055071688 571116183 /nfs/dbraw/zinc/11/61/83/571116183.db2.gz PQNNKHDOZYGYGW-UHFFFAOYSA-N 1 0 365.521 4.213 50 0 FIAARO O=C(CC[N@@H+]1CCCC[C@H]1CCc1ccccn1)Nc1ccccc1F ZINC000244787699 571116672 /nfs/dbraw/zinc/11/66/72/571116672.db2.gz QBZBBRBLKRJECY-SFHVURJKSA-N 1 0 355.457 4.037 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000055154874 571117106 /nfs/dbraw/zinc/11/71/06/571117106.db2.gz CRGCYHBDYDVQJC-KRWDZBQOSA-N 1 0 370.545 4.184 50 0 FIAARO CCOc1cc(C[NH2+][C@H](C)Cc2cnccn2)c(Cl)cc1OC(C)C ZINC000055227374 571118355 /nfs/dbraw/zinc/11/83/55/571118355.db2.gz NPSFOTQKFNMKSH-CQSZACIVSA-N 1 0 363.889 4.037 50 0 FIAARO CCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)c1 ZINC000015772702 571119364 /nfs/dbraw/zinc/11/93/64/571119364.db2.gz ZBTGBSOVUPDEAD-UHFFFAOYSA-N 1 0 374.488 4.154 50 0 FIAARO COc1c(F)cc(C[N@H+](CCO)Cc2ccc(SC)cc2)cc1Cl ZINC000055393459 571120444 /nfs/dbraw/zinc/12/04/44/571120444.db2.gz PZJIPWQYZSSRFE-UHFFFAOYSA-N 1 0 369.889 4.204 50 0 FIAARO c1c(C[NH2+]CCOc2ccccn2)c2ccccc2n1Cc1ccccc1 ZINC000057356053 571122364 /nfs/dbraw/zinc/12/23/64/571122364.db2.gz JNRLSPPRYDROIS-UHFFFAOYSA-N 1 0 357.457 4.253 50 0 FIAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1C ZINC000010214278 571123745 /nfs/dbraw/zinc/12/37/45/571123745.db2.gz LTDNHEONAPFICU-NRFANRHFSA-N 1 0 361.489 4.269 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000058062639 571124774 /nfs/dbraw/zinc/12/47/74/571124774.db2.gz JLABJGALDSWXIE-UHFFFAOYSA-N 1 0 358.432 4.271 50 0 FIAARO C[NH+](C)CCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000071811160 571126076 /nfs/dbraw/zinc/12/60/76/571126076.db2.gz GHZSLDDHSQGVQJ-UHFFFAOYSA-N 1 0 366.383 4.179 50 0 FIAARO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+](C(C)C)C1CCCCC1 ZINC000058197633 571128473 /nfs/dbraw/zinc/12/84/73/571128473.db2.gz LXXNNLINVPUBKA-UHFFFAOYSA-N 1 0 373.541 4.054 50 0 FIAARO COC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000012849582 571128603 /nfs/dbraw/zinc/12/86/03/571128603.db2.gz XEVXLSKTDGQWIS-CQSZACIVSA-N 1 0 374.506 4.058 50 0 FIAARO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccccc1C[NH+](C)C ZINC000058209867 571129029 /nfs/dbraw/zinc/12/90/29/571129029.db2.gz YYLXQVQQTKIISK-SFHVURJKSA-N 1 0 367.537 4.304 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1 ZINC000058406649 571132291 /nfs/dbraw/zinc/13/22/91/571132291.db2.gz KDOYASUZORICQU-GOSISDBHSA-N 1 0 373.522 4.494 50 0 FIAARO COc1ccc([C@H](CNc2cnc3ccccc3n2)[NH+]2CCCCC2)cc1 ZINC000058583147 571133255 /nfs/dbraw/zinc/13/32/55/571133255.db2.gz LHBPLDRVSFJTKX-NRFANRHFSA-N 1 0 362.477 4.278 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1-c1ccccc1 ZINC000058496913 571133385 /nfs/dbraw/zinc/13/33/85/571133385.db2.gz PMVBGANLOMKHJJ-UHFFFAOYSA-N 1 0 371.484 4.143 50 0 FIAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2ccc(Cl)c(Cl)c2)o1 ZINC000059924289 571136047 /nfs/dbraw/zinc/13/60/47/571136047.db2.gz PJOQMXDRPNBBBF-UHFFFAOYSA-N 1 0 369.292 4.028 50 0 FIAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cccnc1)Nc1nc2ccccc2s1 ZINC000065385133 571142427 /nfs/dbraw/zinc/14/24/27/571142427.db2.gz WJOVYRKUUHRTPW-QGZVFWFLSA-N 1 0 366.490 4.247 50 0 FIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cccnc2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000065382213 571142572 /nfs/dbraw/zinc/14/25/72/571142572.db2.gz SQFXJVIOTBWRSR-FQEVSTJZSA-N 1 0 367.493 4.113 50 0 FIAARO Cc1cc(C)c(NC(=O)c2cccc(C[N@@H+](C)CC3(C)COC3)c2)c(C)c1 ZINC000065395532 571142896 /nfs/dbraw/zinc/14/28/96/571142896.db2.gz GPKSWYQBPHWOFV-UHFFFAOYSA-N 1 0 366.505 4.332 50 0 FIAARO Cc1cncc(NC(=O)c2ccc(C[N@@H+](C)[C@H](C)c3ccccn3)cc2)c1 ZINC000065526621 571144466 /nfs/dbraw/zinc/14/44/66/571144466.db2.gz QPQJTWYMRMGZSY-QGZVFWFLSA-N 1 0 360.461 4.230 50 0 FIAARO Cc1ccc(-c2nc(NCC[NH+]3CCCC3)ncc2-c2ccncc2)cc1 ZINC000065526294 571144562 /nfs/dbraw/zinc/14/45/62/571144562.db2.gz NFKYNLRNDMIVRV-UHFFFAOYSA-N 1 0 359.477 4.022 50 0 FIAARO CC(C)[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000065859283 571145447 /nfs/dbraw/zinc/14/54/47/571145447.db2.gz WEYKPLAJWPOUFE-QFIPXVFZSA-N 1 0 350.506 4.412 50 0 FIAARO C=Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000067712790 571148554 /nfs/dbraw/zinc/14/85/54/571148554.db2.gz HKIJXAKGCXDHPJ-QFIPXVFZSA-N 1 0 350.462 4.051 50 0 FIAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CC[C@@H]2CCC[N@H+]2C)CCO3)s1 ZINC000067726133 571148897 /nfs/dbraw/zinc/14/88/97/571148897.db2.gz PRXNQQQQHQMOQG-SFHVURJKSA-N 1 0 372.534 4.108 50 0 FIAARO CC(C)c1cc(C2CC[NH+](Cc3coc4ccccc4c3=O)CC2)[nH]n1 ZINC000067773161 571149372 /nfs/dbraw/zinc/14/93/72/571149372.db2.gz BWGUMJDKCBBUOT-UHFFFAOYSA-N 1 0 351.450 4.019 50 0 FIAARO CSc1ccc2cc(C[N@@H+]3CCCC[C@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067805620 571149749 /nfs/dbraw/zinc/14/97/49/571149749.db2.gz VBGUDKSLQWAGRL-FQEVSTJZSA-N 1 0 365.502 4.372 50 0 FIAARO CCC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000067846745 571150132 /nfs/dbraw/zinc/15/01/32/571150132.db2.gz VFZIWURUNWKJAN-UHFFFAOYSA-N 1 0 367.415 4.196 50 0 FIAARO Cc1cc([C@H]2CCCN2Cc2cnc3c(-c4ccccc4)cnn3c2)on1 ZINC000067854906 571150566 /nfs/dbraw/zinc/15/05/66/571150566.db2.gz OKSVSVRRIAOWNG-LJQANCHMSA-N 1 0 359.433 4.030 50 0 FIAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067894486 571151511 /nfs/dbraw/zinc/15/15/11/571151511.db2.gz MXIXLOBAVKNYHS-UHFFFAOYSA-N 1 0 365.452 4.044 50 0 FIAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 ZINC000007360336 571162629 /nfs/dbraw/zinc/16/26/29/571162629.db2.gz KSDWYJXAZZDUOK-SFHVURJKSA-N 1 0 355.507 4.124 50 0 FIAARO Cc1c2cc(Cl)cc(CNC(=O)[C@H](C)[NH+](C)C)c2[nH]c1-c1ccccc1 ZINC000071754013 571165278 /nfs/dbraw/zinc/16/52/78/571165278.db2.gz VKRKCKYMKRYNNG-AWEZNQCLSA-N 1 0 369.896 4.363 50 0 FIAARO CNC(=O)c1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ccc1Cl ZINC000071774438 571166559 /nfs/dbraw/zinc/16/65/59/571166559.db2.gz WYQPGDMALFZUEN-QGZVFWFLSA-N 1 0 372.896 4.147 50 0 FIAARO O=c1cc(C[N@@H+](Cc2ccccc2F)C2CCCCC2)nc2ccccn12 ZINC000060563358 571167267 /nfs/dbraw/zinc/16/72/67/571167267.db2.gz ZFZNWWFTONFDHW-UHFFFAOYSA-N 1 0 365.452 4.169 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)c(C)c1=O ZINC000072146098 571173289 /nfs/dbraw/zinc/17/32/89/571173289.db2.gz HNWVDJZGFPVLTI-INIZCTEOSA-N 1 0 360.448 4.115 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cc2ccccc2o1 ZINC000575621403 571173452 /nfs/dbraw/zinc/17/34/52/571173452.db2.gz NZWFLFYCTWXIIC-SFHVURJKSA-N 1 0 366.436 4.023 50 0 FIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072148684 571173979 /nfs/dbraw/zinc/17/39/79/571173979.db2.gz RSFPYYBVQMQCHM-MRXNPFEDSA-N 1 0 359.429 4.203 50 0 FIAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000072168296 571177008 /nfs/dbraw/zinc/17/70/08/571177008.db2.gz XSLUQESPUGEZJG-GOSISDBHSA-N 1 0 363.461 4.430 50 0 FIAARO COc1cccc(-n2cc(C[N@H+](C)Cc3cccc4cnccc43)cn2)c1 ZINC000072167729 571177022 /nfs/dbraw/zinc/17/70/22/571177022.db2.gz XRVCEIORGKQIBV-UHFFFAOYSA-N 1 0 358.445 4.061 50 0 FIAARO O[C@H](C[NH2+]CCc1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000003383816 571182383 /nfs/dbraw/zinc/18/23/83/571182383.db2.gz HTUFETLGSIIEPM-HXUWFJFHSA-N 1 0 355.865 4.065 50 0 FIAARO CCCc1nc2cc(CCC(=O)Nc3cc(OC)cc(OC)c3)ccc2[nH]1 ZINC000075465621 571186129 /nfs/dbraw/zinc/18/61/29/571186129.db2.gz KPHWMEJAKFBJAA-UHFFFAOYSA-N 1 0 367.449 4.104 50 0 FIAARO CN(CC[C@H]1CCCCO1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012595860 571187899 /nfs/dbraw/zinc/18/78/99/571187899.db2.gz OOYVRVJPCHQPAW-OAHLLOKOSA-N 1 0 369.387 4.146 50 0 FIAARO COc1ccc2c(C)cc(N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)nc2c1 ZINC000072407608 571191178 /nfs/dbraw/zinc/19/11/78/571191178.db2.gz LOIVFNJTHFJWAA-QHCPKHFHSA-N 1 0 365.521 4.254 50 0 FIAARO CCn1ccc2ccc(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000075509267 571191772 /nfs/dbraw/zinc/19/17/72/571191772.db2.gz FSSWUXQLLLZMBL-UHFFFAOYSA-N 1 0 367.537 4.071 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)o1 ZINC000072411546 571192079 /nfs/dbraw/zinc/19/20/79/571192079.db2.gz SFDOTOOFCZUQIZ-KRWDZBQOSA-N 1 0 368.477 4.179 50 0 FIAARO CCc1nc(C)c(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)o1 ZINC000299757901 571192444 /nfs/dbraw/zinc/19/24/44/571192444.db2.gz IGICGDBKELUQSK-BBWFWOEESA-N 1 0 364.449 4.288 50 0 FIAARO COc1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3CC[NH+](C)C)cc2)c1 ZINC000072422128 571193167 /nfs/dbraw/zinc/19/31/67/571193167.db2.gz HRVSJCVBWNOICN-OAQYLSRUSA-N 1 0 366.505 4.309 50 0 FIAARO COCCCCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764336 571194365 /nfs/dbraw/zinc/19/43/65/571194365.db2.gz UINKOAFFYJVGFE-OTWHNJEPSA-N 1 0 355.482 4.122 50 0 FIAARO C[NH+]1CCN(Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)CC1 ZINC000072435191 571196354 /nfs/dbraw/zinc/19/63/54/571196354.db2.gz POSLHEMEWDPCQG-UHFFFAOYSA-N 1 0 369.871 4.442 50 0 FIAARO CN1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000072439670 571196802 /nfs/dbraw/zinc/19/68/02/571196802.db2.gz PENDHIUVMRLBRE-UHFFFAOYSA-N 1 0 360.505 4.270 50 0 FIAARO O=C(NCCCC[C@@H]1CCCO1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299778274 571197370 /nfs/dbraw/zinc/19/73/70/571197370.db2.gz OQSBVKTYERNCKH-HXUWFJFHSA-N 1 0 359.514 4.143 50 0 FIAARO O=C(NCCCC[C@H]1CCCO1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299778259 571197401 /nfs/dbraw/zinc/19/74/01/571197401.db2.gz OQSBVKTYERNCKH-FQEVSTJZSA-N 1 0 359.514 4.143 50 0 FIAARO CNc1cc(C)nc(N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462793 571197873 /nfs/dbraw/zinc/19/78/73/571197873.db2.gz YWHRTVVCTIATCU-FQEVSTJZSA-N 1 0 367.541 4.102 50 0 FIAARO CC[C@@H]1C[N@H+](Cc2scnc2C)[C@@H](CC)CN1Cc1scnc1C ZINC000092107750 571198047 /nfs/dbraw/zinc/19/80/47/571198047.db2.gz GYDRGYFZGJVZDN-IYBDPMFKSA-N 1 0 364.584 4.091 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1Cl ZINC000089457473 571204171 /nfs/dbraw/zinc/20/41/71/571204171.db2.gz PATMKURMESDGRE-MRXNPFEDSA-N 1 0 374.916 4.046 50 0 FIAARO CC[C@H]1C=CCN1C(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000534649941 571207208 /nfs/dbraw/zinc/20/72/08/571207208.db2.gz OBLXQFLDVAJODB-NRFANRHFSA-N 1 0 361.489 4.135 50 0 FIAARO CC[C@@H](c1cccnc1)N(C)C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000534640764 571207330 /nfs/dbraw/zinc/20/73/30/571207330.db2.gz LMVVTIZBOHSODF-FQEVSTJZSA-N 1 0 372.557 4.363 50 0 FIAARO CN(C)c1ccccc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077355762 571208661 /nfs/dbraw/zinc/20/86/61/571208661.db2.gz CJEJNLYBBBSQIE-NRFANRHFSA-N 1 0 365.521 4.182 50 0 FIAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1ccsc1)CC2 ZINC000077358872 571208965 /nfs/dbraw/zinc/20/89/65/571208965.db2.gz AOPHAEOQTJRWIV-UHFFFAOYSA-N 1 0 374.937 4.416 50 0 FIAARO CN(Cc1cc(-c2cccnc2)no1)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077423574 571211237 /nfs/dbraw/zinc/21/12/37/571211237.db2.gz TVOLODLRLSJDOG-UHFFFAOYSA-N 1 0 368.506 4.026 50 0 FIAARO C[NH+](C)CCOCCO[C@@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000002031023 571212105 /nfs/dbraw/zinc/21/21/05/571212105.db2.gz SCTSKNWRDQSSGQ-IBGZPJMESA-N 1 0 367.411 4.390 50 0 FIAARO CCc1ccc2nc(C)cc(C(=O)N(C)CC[N@H+](C)C3CCCC3)c2c1 ZINC000077458753 571212252 /nfs/dbraw/zinc/21/22/52/571212252.db2.gz ACSUSIKGBDXUKP-UHFFFAOYSA-N 1 0 353.510 4.052 50 0 FIAARO Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000077488887 571213502 /nfs/dbraw/zinc/21/35/02/571213502.db2.gz SDAIUNGVXAAWQN-FQEVSTJZSA-N 1 0 352.478 4.130 50 0 FIAARO Cc1nc(-c2ccccc2)c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000082087513 571227648 /nfs/dbraw/zinc/22/76/48/571227648.db2.gz QTKAAEGXJAQLTI-UHFFFAOYSA-N 1 0 369.534 4.209 50 0 FIAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3)C2)CN1CCc1ccccc1 ZINC000082108073 571228357 /nfs/dbraw/zinc/22/83/57/571228357.db2.gz VJDPDAKKDNIATB-DEOSSOPVSA-N 1 0 362.517 4.134 50 0 FIAARO Cc1cc(-c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)ccc1Cl ZINC000426502870 571228990 /nfs/dbraw/zinc/22/89/90/571228990.db2.gz IQBQRLCOYASISQ-UHFFFAOYSA-N 1 0 356.897 4.482 50 0 FIAARO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091574462 571240661 /nfs/dbraw/zinc/24/06/61/571240661.db2.gz QXPUMUJJIWDGCU-YLJYHZDGSA-N 1 0 360.457 4.169 50 0 FIAARO O=C(Nc1cccnc1SCC[NH+]1CCCCC1)c1cccc(F)c1 ZINC000064754569 571240799 /nfs/dbraw/zinc/24/07/99/571240799.db2.gz YJTKLDJNZAVZLG-UHFFFAOYSA-N 1 0 359.470 4.051 50 0 FIAARO CNc1cc(C)[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)n1 ZINC000091603134 571240928 /nfs/dbraw/zinc/24/09/28/571240928.db2.gz DAENYNYBZRXLCI-OAHLLOKOSA-N 1 0 354.502 4.040 50 0 FIAARO CCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000065285360 571260056 /nfs/dbraw/zinc/26/00/56/571260056.db2.gz SKIMUHUYGKQWGU-SFHVURJKSA-N 1 0 364.493 4.230 50 0 FIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(C)cc1)N2 ZINC000065298472 571260857 /nfs/dbraw/zinc/26/08/57/571260857.db2.gz DQJZECBKDVGELC-FQEVSTJZSA-N 1 0 363.505 4.036 50 0 biogenic FIAARO O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000065488803 571263981 /nfs/dbraw/zinc/26/39/81/571263981.db2.gz USCJPAXDOSNTJG-IBGZPJMESA-N 1 0 370.880 4.189 50 0 FIAARO CC(C)n1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613450 571267970 /nfs/dbraw/zinc/26/79/70/571267970.db2.gz DYZYWLXCIRNQDI-PXNSSMCTSA-N 1 0 353.510 4.217 50 0 FIAARO CO[C@@H](C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C)c1ccccc1 ZINC000071821855 571270481 /nfs/dbraw/zinc/27/04/81/571270481.db2.gz HYEIBDFWKNWRTL-NRFANRHFSA-N 1 0 371.431 4.245 50 0 FIAARO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)nc3ccccc32)C1 ZINC000089840211 571273591 /nfs/dbraw/zinc/27/35/91/571273591.db2.gz JEINXLAMQOMLIB-CQSZACIVSA-N 1 0 367.415 4.022 50 0 FIAARO CC(=O)CCCCCCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000089930325 571274068 /nfs/dbraw/zinc/27/40/68/571274068.db2.gz WTUCNTLRDSIZKY-UHFFFAOYSA-N 1 0 357.498 4.071 50 0 FIAARO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@H](C)c3cnc(C)nc3C)cc2F)c1 ZINC000090118064 571274846 /nfs/dbraw/zinc/27/48/46/571274846.db2.gz CVLIAODPVRRYJW-ZIAGYGMSSA-N 1 0 353.445 4.138 50 0 FIAARO O[C@H](c1ccc(Br)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000002333335 571318214 /nfs/dbraw/zinc/31/82/14/571318214.db2.gz PKEBDCQVVWGBKG-RBUKOAKNSA-N 1 0 360.295 4.362 50 0 FIAARO Cc1cc(O)c(-c2ccc([C@@H](C)C[NH3+])cc2)c2c3ccsc3c(=O)[nH]c12 ZINC000072317440 571319167 /nfs/dbraw/zinc/31/91/67/571319167.db2.gz OETLNMOJNONWOY-LBPRGKRZSA-N 1 0 364.470 4.486 50 0 in-vitro FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000013011490 571322956 /nfs/dbraw/zinc/32/29/56/571322956.db2.gz PHHTYNXDRQBUQQ-MRXNPFEDSA-N 1 0 368.424 4.334 50 0 FIAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2ncoc2C(C)C)c1 ZINC000079073939 571326907 /nfs/dbraw/zinc/32/69/07/571326907.db2.gz HEHZKBOXOXFUTM-UHFFFAOYSA-N 1 0 357.498 4.350 50 0 FIAARO O=C(c1cc(Cl)cc(Cl)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037926 571335564 /nfs/dbraw/zinc/33/55/64/571335564.db2.gz SFGCFEWXNCGUTP-UHFFFAOYSA-N 1 0 369.317 4.403 50 0 FIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057383337 571343042 /nfs/dbraw/zinc/34/30/42/571343042.db2.gz AHGXZQZAKMPWIW-GFCCVEGCSA-N 1 0 352.356 4.003 50 0 FIAARO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)cc1 ZINC000057383321 571343066 /nfs/dbraw/zinc/34/30/66/571343066.db2.gz ZFWYNXFALQQWRS-GOSISDBHSA-N 1 0 374.484 4.329 50 0 FIAARO C[C@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000003047154 571344052 /nfs/dbraw/zinc/34/40/52/571344052.db2.gz JMQRPCHCRMWVQE-CYBMUJFWSA-N 1 0 351.903 4.255 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c1 ZINC000003050159 571344144 /nfs/dbraw/zinc/34/41/44/571344144.db2.gz WDERZBUQGWLODL-OAHLLOKOSA-N 1 0 374.579 4.125 50 0 FIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(SC)c2)CC1 ZINC000003060190 571344483 /nfs/dbraw/zinc/34/44/83/571344483.db2.gz WMTBKWOPUORVIQ-CQSZACIVSA-N 1 0 351.585 4.300 50 0 FIAARO CCC[NH+]1CCN(C(=O)c2ccccc2-c2nc3ccccc3s2)CC1 ZINC000003348689 571348038 /nfs/dbraw/zinc/34/80/38/571348038.db2.gz CHQXNPVEBQOTJA-UHFFFAOYSA-N 1 0 365.502 4.131 50 0 FIAARO CCCC[NH+](CCCC)C[C@H](O)COc1ccc(Br)cc1 ZINC000003401564 571349130 /nfs/dbraw/zinc/34/91/30/571349130.db2.gz DHAMFUBSTHXWDX-INIZCTEOSA-N 1 0 358.320 4.091 50 0 FIAARO COc1ccc(C[NH2+]C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)cc1 ZINC000004028461 571354235 /nfs/dbraw/zinc/35/42/35/571354235.db2.gz HSKOMYSWFSXSNI-LUBSMZHTSA-N 1 0 367.489 4.019 50 0 biogenic FIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000008115082 571359030 /nfs/dbraw/zinc/35/90/30/571359030.db2.gz ZLAQVCGLHRZUQV-LJQANCHMSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000008115081 571359053 /nfs/dbraw/zinc/35/90/53/571359053.db2.gz ZLAQVCGLHRZUQV-IBGZPJMESA-N 1 0 350.487 4.468 50 0 FIAARO COc1cc2c(cc1CN(C)CC[NH+](C)C)oc(C)c2-c1ccccc1 ZINC000022077715 1081193735 /nfs/dbraw/zinc/19/37/35/1081193735.db2.gz UQMWEFOMEXYIKL-UHFFFAOYSA-N 1 0 352.478 4.410 50 0 FIAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000177984113 1082517472 /nfs/dbraw/zinc/51/74/72/1082517472.db2.gz SABQRNIGGBYPNG-UHFFFAOYSA-N 1 0 362.429 4.266 50 0 FIAARO CC(C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000023367410 1084092218 /nfs/dbraw/zinc/09/22/18/1084092218.db2.gz SYOWFEPVNNBKJY-UHFFFAOYSA-N 1 0 370.884 4.373 50 0 FIAARO Cc1ccc(C[N@@H+]2C[C@@H](COc3cccnc3)C3(C2)CCOCC3)c(C)c1 ZINC000257175397 1090248845 /nfs/dbraw/zinc/24/88/45/1090248845.db2.gz OWZPMPYITBISSI-NRFANRHFSA-N 1 0 366.505 4.006 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000299872779 1091720430 /nfs/dbraw/zinc/72/04/30/1091720430.db2.gz IQRCLEWQOBTXNV-HBURNZGTSA-N 1 0 363.586 4.119 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000015781548 1094482746 /nfs/dbraw/zinc/48/27/46/1094482746.db2.gz ORDWDTMOGIKMOU-QGZVFWFLSA-N 1 0 362.477 4.202 50 0 FIAARO C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000529552035 1124152852 /nfs/dbraw/zinc/15/28/52/1124152852.db2.gz WUJJUTCWSRAUDZ-KBPBESRZSA-N 1 0 359.420 4.418 50 0 FIAARO Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011708241 1124957766 /nfs/dbraw/zinc/95/77/66/1124957766.db2.gz GKVSIVANVXVURU-QFIPXVFZSA-N 1 0 373.541 4.190 50 0 FIAARO C[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002208451 219431580 /nfs/dbraw/zinc/43/15/80/219431580.db2.gz QARZSYZJDVOGIV-KRWDZBQOSA-N 1 0 350.269 4.185 50 0 FIAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000019720711 209610273 /nfs/dbraw/zinc/61/02/73/209610273.db2.gz ULAOLQWSXRZTMV-UHFFFAOYSA-N 1 0 370.276 4.352 50 0 FIAARO CCCOc1ccc([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cc1OC ZINC000002126749 209396268 /nfs/dbraw/zinc/39/62/68/209396268.db2.gz BSCXKXYPXYVBLR-NRFANRHFSA-N 1 0 366.461 4.209 50 0 biogenic FIAARO CC[NH+]1CCC(N(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000048264274 209331338 /nfs/dbraw/zinc/33/13/38/209331338.db2.gz GACAZAGHXDTHBF-XBXARRHUSA-N 1 0 367.320 4.482 50 0 FIAARO Cc1ccc(C)c(-n2cc(CN3CC[N@H+](C)[C@@H](C)C3)c(-c3ccccc3)n2)c1 ZINC000107001593 209274577 /nfs/dbraw/zinc/27/45/77/209274577.db2.gz IOUZZXSLCQBFHL-FQEVSTJZSA-N 1 0 374.532 4.292 50 0 FIAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 ZINC000106155723 209272866 /nfs/dbraw/zinc/27/28/66/209272866.db2.gz YOHOPAYBOFSSOZ-NQIIRXRSSA-N 1 0 368.546 4.367 50 0 FIAARO COc1cccc(NC(=O)CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000012072656 219949916 /nfs/dbraw/zinc/94/99/16/219949916.db2.gz FANADUFISBSCCT-LJQANCHMSA-N 1 0 356.510 4.482 50 0 FIAARO Cc1cccc([C@H](NC(=O)C2CC[NH+](C3CCCCC3)CC2)C2CC2)n1 ZINC000097729609 209195142 /nfs/dbraw/zinc/19/51/42/209195142.db2.gz HEZQSFYCKGQQFV-OAQYLSRUSA-N 1 0 355.526 4.002 50 0 FIAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000097696207 209193106 /nfs/dbraw/zinc/19/31/06/209193106.db2.gz XANDZLBCHJRWFY-GOSISDBHSA-N 1 0 368.502 4.086 50 0 FIAARO Clc1ccc(-c2ncc(C[NH+]3CCC4(CCOCC4)CC3)cn2)cc1 ZINC000097632007 209190522 /nfs/dbraw/zinc/19/05/22/209190522.db2.gz XCQUKJMTXZDNHM-UHFFFAOYSA-N 1 0 357.885 4.190 50 0 FIAARO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)s1 ZINC000097578682 209187649 /nfs/dbraw/zinc/18/76/49/209187649.db2.gz GSKWCKYXQPMWCJ-IBGZPJMESA-N 1 0 371.550 4.036 50 0 FIAARO Cc1nc(N2CCC[C@H]([NH2+]C(C3CC3)C3CC3)CC2)nc2ccc(F)cc12 ZINC000012470133 220000343 /nfs/dbraw/zinc/00/03/43/220000343.db2.gz ZEBIGBHORLMQHH-SFHVURJKSA-N 1 0 368.500 4.214 50 0 FIAARO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)C1 ZINC000097528899 209184322 /nfs/dbraw/zinc/18/43/22/209184322.db2.gz PDMVDEFSIVSMRR-NRFANRHFSA-N 1 0 369.440 4.178 50 0 FIAARO CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000097272466 209177696 /nfs/dbraw/zinc/17/76/96/209177696.db2.gz QZJSEBPNQQHMPG-CQSZACIVSA-N 1 0 360.889 4.084 50 0 FIAARO CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000097272465 209177740 /nfs/dbraw/zinc/17/77/40/209177740.db2.gz QZJSEBPNQQHMPG-AWEZNQCLSA-N 1 0 360.889 4.084 50 0 FIAARO CC[NH+](CC)Cc1cccc(NC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c1 ZINC000097272506 209176986 /nfs/dbraw/zinc/17/69/86/209176986.db2.gz ZHBXFYQQOIEKCW-SFHVURJKSA-N 1 0 368.525 4.327 50 0 FIAARO Cc1ccccc1C[NH2+]Cc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000097101469 209169939 /nfs/dbraw/zinc/16/99/39/209169939.db2.gz QQCBUDGZNYMZSU-UHFFFAOYSA-N 1 0 366.486 4.086 50 0 FIAARO CN(Cc1ccc(C[NH+]2CCCCC2)s1)Cc1cnc2ccccc2n1 ZINC000097076663 209168383 /nfs/dbraw/zinc/16/83/83/209168383.db2.gz XBBYWNMYVZKXND-UHFFFAOYSA-N 1 0 366.534 4.309 50 0 FIAARO Cc1cc2[nH]c(C(=O)Nc3cc(F)c(F)c(F)c3)c(C[NH+](C)C)c2s1 ZINC000096363840 209151136 /nfs/dbraw/zinc/15/11/36/209151136.db2.gz KFVAXHFRPHJXKX-UHFFFAOYSA-N 1 0 367.396 4.269 50 0 FIAARO Brc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000001167396 206863772 /nfs/dbraw/zinc/86/37/72/206863772.db2.gz PLLSWSXUKRNSES-UHFFFAOYSA-N 1 0 351.332 4.290 50 0 FIAARO CCCCc1nc2sc3c(ncnc3NCCCC[NH3+])c2c2c1CCC2 ZINC000002410974 206914951 /nfs/dbraw/zinc/91/49/51/206914951.db2.gz PUVXIYFTTJHNQK-UHFFFAOYSA-N 1 0 369.538 4.222 50 0 FIAARO COc1ccc([C@](O)(CCc2ccccc2)CC[NH+]2CCCCC2)cc1 ZINC000004141808 207002800 /nfs/dbraw/zinc/00/28/00/207002800.db2.gz GNSNZJGEDNGCOI-QHCPKHFHSA-N 1 0 353.506 4.392 50 0 FIAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1F ZINC000004168194 207004898 /nfs/dbraw/zinc/00/48/98/207004898.db2.gz VINUKRKTJACTLK-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO O=C(CC12CC3CC(CC(C3)C1)C2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004324497 207014258 /nfs/dbraw/zinc/01/42/58/207014258.db2.gz RJQDUNOIDPEFQR-UHFFFAOYSA-N 1 0 366.549 4.374 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000004336822 207015377 /nfs/dbraw/zinc/01/53/77/207015377.db2.gz YBHVETPUSQZDTB-UHFFFAOYSA-N 1 0 363.288 4.388 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2cc(C)cc(C)c2s1 ZINC000004359500 207015625 /nfs/dbraw/zinc/01/56/25/207015625.db2.gz JAMMRBIHJIQZQM-UHFFFAOYSA-N 1 0 371.506 4.495 50 0 FIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(F)cc3)nc21 ZINC000004359673 207015779 /nfs/dbraw/zinc/01/57/79/207015779.db2.gz FEBDROGNLVWHLZ-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1Cl ZINC000004510524 207024465 /nfs/dbraw/zinc/02/44/65/207024465.db2.gz PTRSIXQLPFTGCU-QGZVFWFLSA-N 1 0 361.869 4.196 50 0 FIAARO CC[NH+](CC)CCNc1c2c(C)nn(CC(C)C)c2nc2ccccc21 ZINC000004517911 207024670 /nfs/dbraw/zinc/02/46/70/207024670.db2.gz UPCKULBZCXILAN-UHFFFAOYSA-N 1 0 353.514 4.303 50 0 FIAARO O=C(COc1ccc2ccccc2c1)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004745433 207045220 /nfs/dbraw/zinc/04/52/20/207045220.db2.gz WOQNBHYPWCLOTO-UHFFFAOYSA-N 1 0 366.505 4.086 50 0 FIAARO C[NH2+]Cc1ccccc1[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1 ZINC000004760014 207047035 /nfs/dbraw/zinc/04/70/35/207047035.db2.gz SSNSZMHHCJOUOA-QHCPKHFHSA-N 1 0 356.469 4.194 50 0 FIAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C(C)(C)C ZINC000004992306 207070017 /nfs/dbraw/zinc/07/00/17/207070017.db2.gz RJMBNFLEYUTTOZ-RTBURBONSA-N 1 0 372.896 4.199 50 0 FIAARO COc1ccc(CC[C@@H](C)[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004989250 207068959 /nfs/dbraw/zinc/06/89/59/207068959.db2.gz QRGZPLQASYQALR-MRXNPFEDSA-N 1 0 355.478 4.092 50 0 FIAARO Cc1cccc2c1-c1sc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)cc1CO2 ZINC000005049963 207076507 /nfs/dbraw/zinc/07/65/07/207076507.db2.gz GMOHEMIMXZYYMN-HNNXBMFYSA-N 1 0 370.518 4.220 50 0 FIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 ZINC000005019823 207071974 /nfs/dbraw/zinc/07/19/74/207071974.db2.gz VHZAOPIREUQQHQ-GOSISDBHSA-N 1 0 361.869 4.196 50 0 FIAARO C[C@H]1CCc2c(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)csc2C1 ZINC000005070279 207079376 /nfs/dbraw/zinc/07/93/76/207079376.db2.gz AVVNEWJXYUZRLH-INIZCTEOSA-N 1 0 368.546 4.051 50 0 FIAARO C[N@H+](CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070431 207079443 /nfs/dbraw/zinc/07/94/43/207079443.db2.gz KMNADKVWRZHANS-UHFFFAOYSA-N 1 0 356.535 4.269 50 0 FIAARO CCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1C ZINC000005842053 207118997 /nfs/dbraw/zinc/11/89/97/207118997.db2.gz WGWPYGDQEHKTAY-UHFFFAOYSA-N 1 0 355.526 4.270 50 0 FIAARO CC[NH2+]CC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000006509819 207143955 /nfs/dbraw/zinc/14/39/55/207143955.db2.gz FESFVHJCEOTYDL-OOZRZZCDSA-N 1 0 373.500 4.419 50 0 FIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)CCCc1cn(C)c2ccccc12 ZINC000006782704 207164840 /nfs/dbraw/zinc/16/48/40/207164840.db2.gz SBLCWCGYTBJALC-RTBURBONSA-N 1 0 369.553 4.270 50 0 FIAARO Cc1cccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877404 207173603 /nfs/dbraw/zinc/17/36/03/207173603.db2.gz DFIVWIGQYWXXAZ-IBGZPJMESA-N 1 0 363.505 4.297 50 0 FIAARO COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)c1 ZINC000007718636 207203361 /nfs/dbraw/zinc/20/33/61/207203361.db2.gz CXYJHWVPEQKKKJ-GOSISDBHSA-N 1 0 365.433 4.091 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000007923698 207211931 /nfs/dbraw/zinc/21/19/31/207211931.db2.gz PUJDENUCIIHSFW-UHFFFAOYSA-N 1 0 362.395 4.231 50 0 FIAARO CC(C)OCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000008338302 207230068 /nfs/dbraw/zinc/23/00/68/207230068.db2.gz VTXVBECVBMRGDI-UHFFFAOYSA-N 1 0 366.505 4.006 50 0 FIAARO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000008328528 207230252 /nfs/dbraw/zinc/23/02/52/207230252.db2.gz GBHNLGZJDNHEAB-KDOFPFPSSA-N 1 0 356.491 4.239 50 0 FIAARO CSc1ccc(C[N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008188184 207221860 /nfs/dbraw/zinc/22/18/60/207221860.db2.gz VEAFCFXDONUIOT-SIKLNZKXSA-N 1 0 371.546 4.295 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000008231404 207225144 /nfs/dbraw/zinc/22/51/44/207225144.db2.gz DAPLTUMZSLKUTQ-UHFFFAOYSA-N 1 0 359.473 4.003 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(-n2cccc2)c1 ZINC000008707703 207241637 /nfs/dbraw/zinc/24/16/37/207241637.db2.gz RSSGKGTUUYGEBD-UHFFFAOYSA-N 1 0 359.473 4.003 50 0 FIAARO Fc1ccccc1OCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000008725442 207245412 /nfs/dbraw/zinc/24/54/12/207245412.db2.gz PLZHMOJRRXTQDR-UHFFFAOYSA-N 1 0 361.420 4.333 50 0 FIAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103315 207263591 /nfs/dbraw/zinc/26/35/91/207263591.db2.gz GXGMBBHZALCCIW-OAQYLSRUSA-N 1 0 367.514 4.328 50 0 FIAARO O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000009303787 207263759 /nfs/dbraw/zinc/26/37/59/207263759.db2.gz UVYNHKFQITYSOM-UHFFFAOYSA-N 1 0 362.473 4.465 50 0 FIAARO Cc1sc2c(c1C)CSC(C(=O)NCCC[NH+]1CCCCCC1)=C2 ZINC000009211363 207261573 /nfs/dbraw/zinc/26/15/73/207261573.db2.gz LSZDQGOWERQCCS-UHFFFAOYSA-N 1 0 364.580 4.335 50 0 FIAARO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1c(Cl)cccc1Cl ZINC000010093100 207295048 /nfs/dbraw/zinc/29/50/48/207295048.db2.gz QWSFOIWWSOSLSG-UHFFFAOYSA-N 1 0 355.290 4.442 50 0 FIAARO CC1(C)CC(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC(C)(C)[NH2+]1 ZINC000010812890 207305797 /nfs/dbraw/zinc/30/57/97/207305797.db2.gz NWGVBLQTMORAIP-UHFFFAOYSA-N 1 0 353.510 4.086 50 0 FIAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccsc3)[N@@H+]3CCC[C@@]123 ZINC000011814167 207321733 /nfs/dbraw/zinc/32/17/33/207321733.db2.gz VVBUQSMAADPYIS-QRFRQXIXSA-N 1 0 372.921 4.340 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2N2CCCCCCC2)ccc1F ZINC000011817000 207323466 /nfs/dbraw/zinc/32/34/66/207323466.db2.gz MJINNWWDHDQIIT-UHFFFAOYSA-N 1 0 357.473 4.290 50 0 FIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccn2)CC1 ZINC000011937906 207331701 /nfs/dbraw/zinc/33/17/01/207331701.db2.gz PQXSMPYWHLOLRS-UHFFFAOYSA-N 1 0 372.896 4.123 50 0 FIAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)C1CCOCC1 ZINC000011999905 207332854 /nfs/dbraw/zinc/33/28/54/207332854.db2.gz GKDZGKUKBDHPQO-UHFFFAOYSA-N 1 0 354.372 4.280 50 0 FIAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000011909502 207328677 /nfs/dbraw/zinc/32/86/77/207328677.db2.gz RWSVZVWMIKZUIU-IBGZPJMESA-N 1 0 352.526 4.110 50 0 FIAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000012054926 207335803 /nfs/dbraw/zinc/33/58/03/207335803.db2.gz KSZXLIDFLDMJQN-SFHVURJKSA-N 1 0 352.478 4.421 50 0 FIAARO CCOc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)ccc1OC ZINC000012246377 207351722 /nfs/dbraw/zinc/35/17/22/207351722.db2.gz AIKRFEJUIMLUBV-GOSISDBHSA-N 1 0 371.525 4.395 50 0 FIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]Cc4ccccc4)CC3)nc2c1 ZINC000012283194 207354412 /nfs/dbraw/zinc/35/44/12/207354412.db2.gz BTZNNRCXHSQMBV-HXUWFJFHSA-N 1 0 360.505 4.395 50 0 FIAARO CN(C(=O)CCc1ccsc1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012298308 207356524 /nfs/dbraw/zinc/35/65/24/207356524.db2.gz BSWOHASPHHLPMN-OAQYLSRUSA-N 1 0 370.562 4.236 50 0 FIAARO O=C(c1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1)N1CCCC1 ZINC000012314735 207358427 /nfs/dbraw/zinc/35/84/27/207358427.db2.gz NEYSATNXYSMLSD-LJQANCHMSA-N 1 0 368.521 4.122 50 0 FIAARO Nc1nc(SCC[NH+]2CCCC2)nc2scc(-c3ccccc3)c21 ZINC000012324520 207361600 /nfs/dbraw/zinc/36/16/00/207361600.db2.gz WKWMGGAORRHSLH-UHFFFAOYSA-N 1 0 356.520 4.128 50 0 FIAARO C[C@@H](C[N@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Br)cc1 ZINC000012342197 207364284 /nfs/dbraw/zinc/36/42/84/207364284.db2.gz JPIQNXLYUCFYCE-MJBXVCDLSA-N 1 0 354.288 4.257 50 0 FIAARO Cc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c1 ZINC000012387118 207368015 /nfs/dbraw/zinc/36/80/15/207368015.db2.gz QJXFORQKZFEZHR-IBGZPJMESA-N 1 0 368.496 4.161 50 0 FIAARO c1cc(C[NH2+]Cc2cccnc2Oc2ccccc2)n(-c2cccnc2)c1 ZINC000012439323 207376166 /nfs/dbraw/zinc/37/61/66/207376166.db2.gz NCWMGVBXMBSSQT-UHFFFAOYSA-N 1 0 356.429 4.349 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000012449529 207378177 /nfs/dbraw/zinc/37/81/77/207378177.db2.gz BGUDWISSIMCCFE-LJQANCHMSA-N 1 0 351.450 4.077 50 0 FIAARO Cc1nc(N2CCC[C@@H]([NH2+]Cc3ccccc3)CC2)nc2ccc(F)cc12 ZINC000012456337 207381563 /nfs/dbraw/zinc/38/15/63/207381563.db2.gz RVTWZLAGGLRGSY-LJQANCHMSA-N 1 0 364.468 4.226 50 0 FIAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012469328 207381576 /nfs/dbraw/zinc/38/15/76/207381576.db2.gz QRKYNFWSJPMMNX-NRFANRHFSA-N 1 0 359.897 4.384 50 0 FIAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000012573444 207396126 /nfs/dbraw/zinc/39/61/26/207396126.db2.gz OASJVKVLPSVSCV-UHFFFAOYSA-N 1 0 371.477 4.128 50 0 FIAARO 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O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000032763294 208040573 /nfs/dbraw/zinc/04/05/73/208040573.db2.gz BZANGZFZOMLLAJ-HNNXBMFYSA-N 1 0 352.862 4.108 50 0 FIAARO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000032904301 208054769 /nfs/dbraw/zinc/05/47/69/208054769.db2.gz UEVMEJDUOYKWOG-UHFFFAOYSA-N 1 0 370.924 4.398 50 0 FIAARO CC(C)N(C(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1)C(C)C ZINC000032932783 208057431 /nfs/dbraw/zinc/05/74/31/208057431.db2.gz HBLOQCMPYSSBJD-UHFFFAOYSA-N 1 0 357.473 4.042 50 0 FIAARO CCC(=O)N1C[C@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034697987 208107739 /nfs/dbraw/zinc/10/77/39/208107739.db2.gz DHCXPAPOOUJFQZ-WMZOPIPTSA-N 1 0 368.443 4.143 50 0 FIAARO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2ccc(C)o2)C[C@H]1c1ccccc1 ZINC000034740394 208109388 /nfs/dbraw/zinc/10/93/88/208109388.db2.gz QXLUXORXUFTQCC-GGAORHGYSA-N 1 0 368.521 4.308 50 0 FIAARO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000036491386 208164266 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C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000040460184 208254803 /nfs/dbraw/zinc/25/48/03/208254803.db2.gz HXMGWRZLDRZTMV-WMLDXEAASA-N 1 0 353.491 4.091 50 0 FIAARO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000040460182 208254852 /nfs/dbraw/zinc/25/48/52/208254852.db2.gz HXMGWRZLDRZTMV-RHSMWYFYSA-N 1 0 353.491 4.091 50 0 FIAARO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000042963255 208296997 /nfs/dbraw/zinc/29/69/97/208296997.db2.gz BETMXTJHKJGHIO-CQSZACIVSA-N 1 0 367.415 4.068 50 0 FIAARO c1c2ccccc2oc1C[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000043056921 208300783 /nfs/dbraw/zinc/30/07/83/208300783.db2.gz UYDGFFGPDGILBJ-UHFFFAOYSA-N 1 0 373.412 4.110 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Cl)cc1OC ZINC000046037851 208357323 /nfs/dbraw/zinc/35/73/23/208357323.db2.gz DVNWMZUTUPZTAB-ROUUACIJSA-N 1 0 361.869 4.228 50 0 FIAARO O=c1cc(-c2ccccc2Cl)nc(-c2cccc(C[NH+]3CCCC3)c2)[nH]1 ZINC000048081032 208386964 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KIIFJDKQTHOFGN-SXSHWNGBSA-N 1 0 359.554 4.055 50 0 biogenic FIAARO CCOc1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)ccc1OC ZINC000244574972 520700551 /nfs/dbraw/zinc/70/05/51/520700551.db2.gz CUNBQIOROVLRQG-NZQKXSOJSA-N 1 0 372.553 4.323 50 0 FIAARO CCOc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019872013 520731053 /nfs/dbraw/zinc/73/10/53/520731053.db2.gz GPNXIOHGRPOPIQ-KUHUBIRLSA-N 1 0 363.885 4.349 50 0 FIAARO CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1NC(C)=O ZINC000082125546 520837412 /nfs/dbraw/zinc/83/74/12/520837412.db2.gz UXUYBMXXHZHSOE-DNVCBOLYSA-N 1 0 360.885 4.337 50 0 FIAARO CCCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000239807517 520885453 /nfs/dbraw/zinc/88/54/53/520885453.db2.gz CSPXWZBTQINIID-YLJYHZDGSA-N 1 0 361.530 4.368 50 0 FIAARO CCOc1ccc2nc(C[NH+]3CCC(CCn4cccn4)CC3)ccc2c1 ZINC000216518016 521299090 /nfs/dbraw/zinc/29/90/90/521299090.db2.gz JTOPDBSMQYWSMH-UHFFFAOYSA-N 1 0 364.493 4.132 50 0 FIAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC000020455451 522002344 /nfs/dbraw/zinc/00/23/44/522002344.db2.gz QHCOIVSBTHFVHE-CQSZACIVSA-N 1 0 363.889 4.022 50 0 FIAARO Cn1cc(CN2CC[C@H]([NH+](C)C)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000020256602 522104144 /nfs/dbraw/zinc/10/41/44/522104144.db2.gz JNHHZLHFEJVJTK-QFIPXVFZSA-N 1 0 366.553 4.271 50 0 FIAARO C[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020450338 522956262 /nfs/dbraw/zinc/95/62/62/522956262.db2.gz HKQGRRSITULBRU-UHFFFAOYSA-N 1 0 361.367 4.430 50 0 FIAARO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H]1Cc2ccccc2O1 ZINC000019794898 523161117 /nfs/dbraw/zinc/16/11/17/523161117.db2.gz ILXXAZGTZQJQMY-SFHVURJKSA-N 1 0 359.429 4.258 50 0 FIAARO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000065508953 524297693 /nfs/dbraw/zinc/29/76/93/524297693.db2.gz HNBWUWBFURNRMF-NRFANRHFSA-N 1 0 366.505 4.293 50 0 FIAARO Cc1ccc(NC(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000240540840 525183869 /nfs/dbraw/zinc/18/38/69/525183869.db2.gz GPPSWYDEOMIVRI-WGMWDUQUSA-N 1 0 351.494 4.273 50 0 FIAARO COc1cccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000020219120 526024059 /nfs/dbraw/zinc/02/40/59/526024059.db2.gz CUBPAPUSVWSTSY-QFIPXVFZSA-N 1 0 367.876 4.374 50 0 FIAARO Fc1ccc(N2CCC[N@H+](Cc3ccc([C@H]4CCCCO4)o3)CC2)cc1 ZINC000244795511 526352544 /nfs/dbraw/zinc/35/25/44/526352544.db2.gz RHRZVERIJCNUNI-HXUWFJFHSA-N 1 0 358.457 4.373 50 0 FIAARO O=C1c2ccccc2[C@@H]([NH2+]CCc2ccccc2)N1CCc1ccccc1 ZINC000019848924 527137088 /nfs/dbraw/zinc/13/70/88/527137088.db2.gz RHZZAKVHTZHLJV-QHCPKHFHSA-N 1 0 356.469 4.216 50 0 FIAARO O=S1(=O)CCC[C@H]([NH2+][C@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC000246080517 527305094 /nfs/dbraw/zinc/30/50/94/527305094.db2.gz UXPHLCCFNDAOQT-ILWGZMRPSA-N 1 0 369.530 4.015 50 0 FIAARO OC[C@]1(CC2CC2)CCC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000091644057 527626063 /nfs/dbraw/zinc/62/60/63/527626063.db2.gz CRJRPFDRSAMOMP-QHCPKHFHSA-N 1 0 366.505 4.035 50 0 FIAARO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082109037 527697032 /nfs/dbraw/zinc/69/70/32/527697032.db2.gz VROWIJASSIAWPG-QGZVFWFLSA-N 1 0 361.436 4.274 50 0 FIAARO CCCC[NH+]1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1 ZINC000001541803 560182003 /nfs/dbraw/zinc/18/20/03/560182003.db2.gz JBHLYIVFFLNISJ-UHFFFAOYSA-N 1 0 352.906 4.406 50 0 in-vitro FIAARO Cc1ccc([C@@H](NC(=O)C2([NH+]3CCCC3)CCCC2)c2ccncc2)cc1 ZINC000215231996 568059240 /nfs/dbraw/zinc/05/92/40/568059240.db2.gz YCTFBJJDRUVALX-OAQYLSRUSA-N 1 0 363.505 4.004 50 0 FIAARO C[C@H](c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1)[NH+]1CCCCC1 ZINC000216038094 568102051 /nfs/dbraw/zinc/10/20/51/568102051.db2.gz PFIIMDQLIDYCNA-LJQANCHMSA-N 1 0 365.521 4.128 50 0 FIAARO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)ccc1OCC=C(C)C ZINC000216287761 568116630 /nfs/dbraw/zinc/11/66/30/568116630.db2.gz RMDCXHCELGNSFX-UHFFFAOYSA-N 1 0 359.510 4.433 50 0 FIAARO CCOc1ccc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1OC ZINC000000717999 568129908 /nfs/dbraw/zinc/12/99/08/568129908.db2.gz ANWNNBCRMSTVKA-QFIPXVFZSA-N 1 0 371.477 4.126 50 0 biogenic FIAARO CC[NH+](CC)CC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000000823155 568304599 /nfs/dbraw/zinc/30/45/99/568304599.db2.gz ZKVINDCVLMJLEB-UHFFFAOYSA-N 1 0 374.488 4.209 50 0 FIAARO COc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022767056 568308261 /nfs/dbraw/zinc/30/82/61/568308261.db2.gz JTSMELITQJHGIO-SFHVURJKSA-N 1 0 373.522 4.496 50 0 FIAARO COCCCC1CCN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000220280567 568332828 /nfs/dbraw/zinc/33/28/28/568332828.db2.gz GYELGRNYQUUYTI-UHFFFAOYSA-N 1 0 372.553 4.341 50 0 FIAARO CC1(C)Cc2cc(CN3CCC[N@H+](Cc4cccs4)CC3)ccc2O1 ZINC000223612548 568679689 /nfs/dbraw/zinc/67/96/89/568679689.db2.gz GCMIHJBGWKYSOK-UHFFFAOYSA-N 1 0 356.535 4.170 50 0 FIAARO CC(C)(C)c1cn2c([n+]1-c1ccc(Br)cc1)SCCC2 ZINC000000623996 570439188 /nfs/dbraw/zinc/43/91/88/570439188.db2.gz PJDCZZYRJUHEFH-UHFFFAOYSA-N 1 0 352.321 4.321 50 0 FIAARO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)on1 ZINC000092107765 570447611 /nfs/dbraw/zinc/44/76/11/570447611.db2.gz PKCZEVUPUJBHSA-LJQANCHMSA-N 1 0 355.482 4.227 50 0 FIAARO CCc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000000724920 570453312 /nfs/dbraw/zinc/45/33/12/570453312.db2.gz BZBRAVLRVKTBQT-UHFFFAOYSA-N 1 0 352.478 4.252 50 0 FIAARO COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000000848804 570460734 /nfs/dbraw/zinc/46/07/34/570460734.db2.gz LHMXSGJHEUTTLE-MOPGFXCFSA-N 1 0 366.436 4.232 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000023303150 570461181 /nfs/dbraw/zinc/46/11/81/570461181.db2.gz RXAFXGBWGRWNEC-SFHVURJKSA-N 1 0 371.912 4.166 50 0 FIAARO O=C(c1ccc(F)cc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000893310 570463168 /nfs/dbraw/zinc/46/31/68/570463168.db2.gz MSXNTDQMFQNMMD-UHFFFAOYSA-N 1 0 366.480 4.310 50 0 FIAARO COCCC[NH2+]CCCCOc1ccc2ccccc2c1Br ZINC000003003061 570549660 /nfs/dbraw/zinc/54/96/60/570549660.db2.gz ZKWVJFLPPKTYDD-UHFFFAOYSA-N 1 0 366.299 4.387 50 0 FIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cccc(Br)c1 ZINC000003314853 570559147 /nfs/dbraw/zinc/55/91/47/570559147.db2.gz QGNMHDSQWCWSDA-CQSZACIVSA-N 1 0 362.267 4.126 50 0 FIAARO CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3C)cc2)c1 ZINC000426487493 570608270 /nfs/dbraw/zinc/60/82/70/570608270.db2.gz QOHAGVGOSFDHFP-NRFANRHFSA-N 1 0 366.505 4.355 50 0 FIAARO CC(=O)[C@@H]1Sc2ccccc2N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000005314009 570623478 /nfs/dbraw/zinc/62/34/78/570623478.db2.gz KJKUTCSZMKBGKI-RTWAWAEBSA-N 1 0 354.519 4.249 50 0 FIAARO COc1cccc2cc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)oc21 ZINC000078725201 570634298 /nfs/dbraw/zinc/63/42/98/570634298.db2.gz UYRXFTZLDYRESQ-UHFFFAOYSA-N 1 0 355.409 4.376 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000022787352 570691329 /nfs/dbraw/zinc/69/13/29/570691329.db2.gz GJYRYMYEXGTHPJ-IBGZPJMESA-N 1 0 366.534 4.175 50 0 FIAARO FC(F)(F)c1nc2ccccc2c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000022800510 570691872 /nfs/dbraw/zinc/69/18/72/570691872.db2.gz PELMAAKWDIJXSS-OAHLLOKOSA-N 1 0 372.394 4.335 50 0 FIAARO Clc1ccccc1-c1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)o1 ZINC000011843315 570709893 /nfs/dbraw/zinc/70/98/93/570709893.db2.gz CPZGAARJVFWOIE-HNNXBMFYSA-N 1 0 368.868 4.149 50 0 FIAARO CSc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccs3)C2)c1 ZINC000012205054 570727622 /nfs/dbraw/zinc/72/76/22/570727622.db2.gz VVKAOEXNHXYOSY-INIZCTEOSA-N 1 0 360.548 4.112 50 0 FIAARO COC[C@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012596468 570753133 /nfs/dbraw/zinc/75/31/33/570753133.db2.gz JCKSTUXOVDRUFN-AWEZNQCLSA-N 1 0 373.859 4.456 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c(C)n1 ZINC000012706299 570757430 /nfs/dbraw/zinc/75/74/30/570757430.db2.gz INKDEOWTKJNFBO-KRWDZBQOSA-N 1 0 357.523 4.028 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+](C)[C@@H]3CCOC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012760553 570760393 /nfs/dbraw/zinc/76/03/93/570760393.db2.gz DRGJNUXIVIYMHS-OAQYLSRUSA-N 1 0 365.452 4.208 50 0 FIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000012788022 570760861 /nfs/dbraw/zinc/76/08/61/570760861.db2.gz DMNDUPZFTARMOY-YVEFUNNKSA-N 1 0 359.267 4.053 50 0 FIAARO CCc1ccc2c(C[N@H+](C)CCOc3ccccc3F)cc(=O)oc2c1 ZINC000012793213 570762305 /nfs/dbraw/zinc/76/23/05/570762305.db2.gz MWNBWZQPBVIMPR-UHFFFAOYSA-N 1 0 355.409 4.005 50 0 FIAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000012998751 570771633 /nfs/dbraw/zinc/77/16/33/570771633.db2.gz UDSRCOQQMUTPEJ-LJQANCHMSA-N 1 0 373.884 4.307 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)cc1 ZINC000013945732 570798332 /nfs/dbraw/zinc/79/83/32/570798332.db2.gz RBNOCTQXKJWHAC-HXUWFJFHSA-N 1 0 370.924 4.219 50 0 FIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1C ZINC000014961254 570826969 /nfs/dbraw/zinc/82/69/69/570826969.db2.gz RAXVDVGVOXBIFK-KRWDZBQOSA-N 1 0 359.901 4.268 50 0 FIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000014964498 570827385 /nfs/dbraw/zinc/82/73/85/570827385.db2.gz ZWHASPPUEWKRHS-KRWDZBQOSA-N 1 0 367.942 4.033 50 0 FIAARO O=C(CCCc1cccs1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015071907 570831580 /nfs/dbraw/zinc/83/15/80/570831580.db2.gz OPALAZWAWVTJHU-HXUWFJFHSA-N 1 0 370.562 4.284 50 0 FIAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCc1ccncc1)CC2 ZINC000015447172 570838755 /nfs/dbraw/zinc/83/87/55/570838755.db2.gz MQGXWJNDVZGRDM-DEOSSOPVSA-N 1 0 374.484 4.289 50 0 FIAARO CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000015831532 570844431 /nfs/dbraw/zinc/84/44/31/570844431.db2.gz MEFOAIPIBIKBGV-FQEVSTJZSA-N 1 0 372.553 4.230 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(F)cc3)sc2cc1C ZINC000004586160 570853342 /nfs/dbraw/zinc/85/33/42/570853342.db2.gz KCKLRBXZHZQDGC-UHFFFAOYSA-N 1 0 371.481 4.261 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000103940495 570853511 /nfs/dbraw/zinc/85/35/11/570853511.db2.gz WKAOWMZUJYSYOS-XMSQKQJNSA-N 1 0 366.505 4.408 50 0 FIAARO Cc1ccc(-n2ncc3c2ncnc3N(C)Cc2ccccc2)cc1Cl ZINC000017120837 570868833 /nfs/dbraw/zinc/86/88/33/570868833.db2.gz CCLMJYVTZONJQE-UHFFFAOYSA-N 1 0 363.852 4.414 50 0 FIAARO FC(F)(F)c1ccc(Cc2noc(CCC[NH+]3CCCCC3)n2)cc1 ZINC000019227799 570883137 /nfs/dbraw/zinc/88/31/37/570883137.db2.gz OUAHDKBVNLOTJN-UHFFFAOYSA-N 1 0 353.388 4.098 50 0 FIAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019370442 570888201 /nfs/dbraw/zinc/88/82/01/570888201.db2.gz BMOAYKAROHLNIS-QAPCUYQASA-N 1 0 351.332 4.145 50 0 FIAARO c1cc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000019606899 570896289 /nfs/dbraw/zinc/89/62/89/570896289.db2.gz YUPGXTWALRGGDS-FQEVSTJZSA-N 1 0 352.526 4.007 50 0 FIAARO COc1ccc(Br)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019832383 570904222 /nfs/dbraw/zinc/90/42/22/570904222.db2.gz GPAHZRIDPUMZLF-UHFFFAOYSA-N 1 0 359.267 4.271 50 0 FIAARO O=S1(=O)CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 ZINC000108461554 570906702 /nfs/dbraw/zinc/90/67/02/570906702.db2.gz UXPHLCCFNDAOQT-NNWRFLSQSA-N 1 0 369.530 4.015 50 0 FIAARO CCc1ccc(NC(=O)c2ccc(SCC[NH+](CC)CC)nc2)cc1 ZINC000021663584 570932408 /nfs/dbraw/zinc/93/24/08/570932408.db2.gz GCQLPAYSJXSABL-UHFFFAOYSA-N 1 0 357.523 4.330 50 0 FIAARO Cc1cccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)c1 ZINC000021663501 570932433 /nfs/dbraw/zinc/93/24/33/570932433.db2.gz TWIKZCUCMTXKMO-UHFFFAOYSA-N 1 0 355.507 4.220 50 0 FIAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000048741863 570958984 /nfs/dbraw/zinc/95/89/84/570958984.db2.gz UIJAMJUJSDTGKB-UHFFFAOYSA-N 1 0 365.408 4.261 50 0 FIAARO CC(C)[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000024082720 570971177 /nfs/dbraw/zinc/97/11/77/570971177.db2.gz DSKVDEOGUDSDRW-QFIPXVFZSA-N 1 0 363.461 4.130 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000024594982 570978585 /nfs/dbraw/zinc/97/85/85/570978585.db2.gz KHJVRIKYAZYDBC-UHFFFAOYSA-N 1 0 365.452 4.107 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025252381 570992970 /nfs/dbraw/zinc/99/29/70/570992970.db2.gz ARMZZMRBMSNERX-YJBOKZPZSA-N 1 0 374.937 4.211 50 0 FIAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCN(c3ccccc3)CC2)C1 ZINC000025326391 570994024 /nfs/dbraw/zinc/99/40/24/570994024.db2.gz NTKDUPSMATXNAA-UHFFFAOYSA-N 1 0 352.546 4.150 50 0 FIAARO CSc1ccc(Cl)c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000025330089 570994173 /nfs/dbraw/zinc/99/41/73/570994173.db2.gz LCSJMCDONZSPMZ-HNNXBMFYSA-N 1 0 354.928 4.156 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026304556 571003883 /nfs/dbraw/zinc/00/38/83/571003883.db2.gz OHOVIIHMWGTIPK-HXUWFJFHSA-N 1 0 371.912 4.166 50 0 FIAARO Cc1ccc(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000027064406 571010225 /nfs/dbraw/zinc/01/02/25/571010225.db2.gz DTXXQEBEDHKMJN-UHFFFAOYSA-N 1 0 370.924 4.362 50 0 FIAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)c1 ZINC000027584384 571015516 /nfs/dbraw/zinc/01/55/16/571015516.db2.gz UUCMRMORDACGQJ-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO CCc1ccc([C@H](CNC(=O)c2ccc(CSC)cc2)[NH+](C)C)cc1 ZINC000027596285 571016214 /nfs/dbraw/zinc/01/62/14/571016214.db2.gz ORPRHZIOHVGVIC-FQEVSTJZSA-N 1 0 356.535 4.145 50 0 FIAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000028290380 571029522 /nfs/dbraw/zinc/02/95/22/571029522.db2.gz WUEBZDKNSBRARY-LJQANCHMSA-N 1 0 350.462 4.391 50 0 FIAARO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028291348 571030006 /nfs/dbraw/zinc/03/00/06/571030006.db2.gz XJXDJRWOZUZBLP-SFHVURJKSA-N 1 0 350.462 4.391 50 0 FIAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000028291999 571030456 /nfs/dbraw/zinc/03/04/56/571030456.db2.gz DEDQAUFNDQXMNV-JOCHJYFZSA-N 1 0 366.505 4.026 50 0 FIAARO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000028580845 571033122 /nfs/dbraw/zinc/03/31/22/571033122.db2.gz MNBSEQDNCXVDEA-LJQANCHMSA-N 1 0 371.864 4.375 50 0 FIAARO CC(C)[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C ZINC000072286241 571041964 /nfs/dbraw/zinc/04/19/64/571041964.db2.gz BJMGGQYUBRVUHG-HNNXBMFYSA-N 1 0 360.420 4.344 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008717196 571056940 /nfs/dbraw/zinc/05/69/40/571056940.db2.gz MFAUSTDDNGMOEN-UHFFFAOYSA-N 1 0 356.466 4.048 50 0 FIAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCCC2 ZINC000072303671 571059667 /nfs/dbraw/zinc/05/96/67/571059667.db2.gz XJJFCYJASQTDIW-SFHVURJKSA-N 1 0 368.546 4.221 50 0 FIAARO O=C(Cc1ccc(F)cc1)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863072 571063677 /nfs/dbraw/zinc/06/36/77/571063677.db2.gz AYUZWURHAHDCCU-LJQANCHMSA-N 1 0 360.498 4.163 50 0 FIAARO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nc(-c3ccccc3Cl)no2)C1 ZINC000072308136 571065002 /nfs/dbraw/zinc/06/50/02/571065002.db2.gz ZEXBWCCNYCWSLU-DJJJIMSYSA-N 1 0 363.889 4.057 50 0 FIAARO C[C@H]([NH2+]C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005073764 571072890 /nfs/dbraw/zinc/07/28/90/571072890.db2.gz ZBVOHBSEOKWMAV-FFRGACMTSA-N 1 0 357.538 4.321 50 0 FIAARO C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000040156912 571087780 /nfs/dbraw/zinc/08/77/80/571087780.db2.gz JXBUCFCIJHPQAD-IBGZPJMESA-N 1 0 350.506 4.036 50 0 FIAARO CC(C)[C@@H]1C[C@@](CC[NH2+]C2CCN(C)CC2)(Cc2ccccc2)CCO1 ZINC000009047112 571093506 /nfs/dbraw/zinc/09/35/06/571093506.db2.gz FVOUTONKTROUNU-XZOQPEGZSA-N 1 0 358.570 4.124 50 0 FIAARO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667735 571095477 /nfs/dbraw/zinc/09/54/77/571095477.db2.gz JVJPAORAUCDFDI-HZPDHXFCSA-N 1 0 374.916 4.259 50 0 FIAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000015669125 571101369 /nfs/dbraw/zinc/10/13/69/571101369.db2.gz JNAQBZHRDATZRS-UHFFFAOYSA-N 1 0 366.440 4.043 50 0 FIAARO Cc1cc(C[NH+]2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)on1 ZINC000244734799 571115907 /nfs/dbraw/zinc/11/59/07/571115907.db2.gz NMCRZKWQUFXHSZ-UHFFFAOYSA-N 1 0 356.857 4.406 50 0 FIAARO Fc1ccccc1CN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC000055091000 571116221 /nfs/dbraw/zinc/11/62/21/571116221.db2.gz YKHDXPZUHKWDLF-SFHVURJKSA-N 1 0 358.423 4.456 50 0 FIAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000055283822 571119150 /nfs/dbraw/zinc/11/91/50/571119150.db2.gz OYIHFULANFGVOI-OAHLLOKOSA-N 1 0 361.424 4.252 50 0 FIAARO CCOc1ccc(C[N@H+](Cc2cccn2-c2nccs2)C2CC2)cc1 ZINC000055308668 571119233 /nfs/dbraw/zinc/11/92/33/571119233.db2.gz SXLCHUFESIDDMY-UHFFFAOYSA-N 1 0 353.491 4.497 50 0 FIAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)Cc2cc(C)cc(C)n2)c(Cl)c1 ZINC000244884355 571119392 /nfs/dbraw/zinc/11/93/92/571119392.db2.gz YLAQSJVATODALP-UHFFFAOYSA-N 1 0 359.901 4.429 50 0 FIAARO CCCCOc1c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cccc1OC ZINC000055327706 571119622 /nfs/dbraw/zinc/11/96/22/571119622.db2.gz CNHSSGDYUMPVEX-INIZCTEOSA-N 1 0 355.478 4.487 50 0 FIAARO COc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)ccc1OC(C)C ZINC000055360668 571119985 /nfs/dbraw/zinc/11/99/85/571119985.db2.gz TZGAWCZGIKFTMJ-UHFFFAOYSA-N 1 0 369.440 4.301 50 0 FIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)cc3)=NN12 ZINC000010213800 571123682 /nfs/dbraw/zinc/12/36/82/571123682.db2.gz BMOMVFKJPUJULF-OAQYLSRUSA-N 1 0 361.489 4.351 50 0 FIAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1ccnc2ccccc12 ZINC000252483729 571131807 /nfs/dbraw/zinc/13/18/07/571131807.db2.gz FHKVYVQWVDZCNM-UHFFFAOYSA-N 1 0 353.853 4.349 50 0 FIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000058522511 571133221 /nfs/dbraw/zinc/13/32/21/571133221.db2.gz GJQCADJHRFMBOK-CQSZACIVSA-N 1 0 357.420 4.339 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)NCc3ccccc3)CC2)c1 ZINC000021783967 571138301 /nfs/dbraw/zinc/13/83/01/571138301.db2.gz SYQOEVHSAXZECG-UHFFFAOYSA-N 1 0 365.521 4.015 50 0 FIAARO CCOc1ccccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000015866516 571139818 /nfs/dbraw/zinc/13/98/18/571139818.db2.gz ALUQYIBIPXYSLF-UHFFFAOYSA-N 1 0 359.514 4.061 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000016477544 571141773 /nfs/dbraw/zinc/14/17/73/571141773.db2.gz UKZCSOSOSSBFNO-OAQYLSRUSA-N 1 0 351.421 4.228 50 0 FIAARO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000012885297 571142061 /nfs/dbraw/zinc/14/20/61/571142061.db2.gz DRGGEXIIJYRJAU-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCCCC[NH3+])OCO2 ZINC000065394955 571142866 /nfs/dbraw/zinc/14/28/66/571142866.db2.gz FURUGEYIROHHCD-UHFFFAOYSA-N 1 0 363.461 4.383 50 0 FIAARO CC[N@H+](Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1)C1CCOCC1 ZINC000065405960 571143152 /nfs/dbraw/zinc/14/31/52/571143152.db2.gz QXEYTHOCJUGGCP-UHFFFAOYSA-N 1 0 374.431 4.218 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3F)cc(=O)oc2c1C ZINC000012911024 571144030 /nfs/dbraw/zinc/14/40/30/571144030.db2.gz JRMGESZXHJJWAX-UHFFFAOYSA-N 1 0 355.409 4.060 50 0 FIAARO Brc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 ZINC000015952639 571146746 /nfs/dbraw/zinc/14/67/46/571146746.db2.gz OGOAZVBHHQKMPK-UHFFFAOYSA-N 1 0 358.284 4.300 50 0 FIAARO CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067655072 571147676 /nfs/dbraw/zinc/14/76/76/571147676.db2.gz BQTZOUKZRWNSEU-QGZVFWFLSA-N 1 0 367.472 4.373 50 0 FIAARO CSc1ccc2cc(C[N@@H+]3CCCC[C@H]3c3cccnc3)c(=O)[nH]c2c1 ZINC000067805930 571149738 /nfs/dbraw/zinc/14/97/38/571149738.db2.gz IPJKTXUIWPRGCL-FQEVSTJZSA-N 1 0 365.502 4.372 50 0 FIAARO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+](C[C@@H]3CCCO3)CC4)cc2)cc1 ZINC000067955694 571152436 /nfs/dbraw/zinc/15/24/36/571152436.db2.gz ITWVJCPTDJKPJZ-FQEVSTJZSA-N 1 0 359.473 4.281 50 0 FIAARO CCC(CC)[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)CC(C)C ZINC000075093966 571154027 /nfs/dbraw/zinc/15/40/27/571154027.db2.gz ZYZGVRLWCZMNNB-UHFFFAOYSA-N 1 0 367.497 4.168 50 0 FIAARO COc1ccc(N2C3=CCCC[N@@H+]3[C@@H](C)[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000075250295 571158184 /nfs/dbraw/zinc/15/81/84/571158184.db2.gz QNWWEDYZVJFMCR-BTYIYWSLSA-N 1 0 370.880 4.340 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071712202 571163570 /nfs/dbraw/zinc/16/35/70/571163570.db2.gz RVCUNLGSWYFSAO-GOSISDBHSA-N 1 0 356.489 4.282 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071763407 571165810 /nfs/dbraw/zinc/16/58/10/571165810.db2.gz XVFUGIGYAPVJHG-MRXNPFEDSA-N 1 0 351.416 4.284 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000071774792 571166571 /nfs/dbraw/zinc/16/65/71/571166571.db2.gz FDLKBIGUOOMRBJ-HNNXBMFYSA-N 1 0 369.852 4.418 50 0 FIAARO Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000072166900 571176712 /nfs/dbraw/zinc/17/67/12/571176712.db2.gz ZEQUMRCZYDVAFP-QGZVFWFLSA-N 1 0 351.450 4.483 50 0 FIAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072169704 571177473 /nfs/dbraw/zinc/17/74/73/571177473.db2.gz YXOIGVJGPSTGKA-INIZCTEOSA-N 1 0 370.459 4.217 50 0 FIAARO c1ccc(CO[C@H]2CCC[N@H+](Cc3ccc(-c4cccnc4)cc3)C2)nc1 ZINC000072172628 571177756 /nfs/dbraw/zinc/17/77/56/571177756.db2.gz YEXDNZAZUIKEQY-QHCPKHFHSA-N 1 0 359.473 4.325 50 0 FIAARO CN(CC[C@@H]1CCCCO1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012595854 571187884 /nfs/dbraw/zinc/18/78/84/571187884.db2.gz OOYVRVJPCHQPAW-HNNXBMFYSA-N 1 0 369.387 4.146 50 0 FIAARO Cc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)cc1 ZINC000075483570 571188784 /nfs/dbraw/zinc/18/87/84/571188784.db2.gz PAGQYLVUGDUTQD-UHFFFAOYSA-N 1 0 365.502 4.277 50 0 FIAARO COc1cccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCCC2)c1 ZINC000075487618 571190451 /nfs/dbraw/zinc/19/04/51/571190451.db2.gz XGIWCWGEFJGPKY-UHFFFAOYSA-N 1 0 369.490 4.395 50 0 FIAARO Cc1cnn([C@H](C)C2CC2)c1NC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299770544 571195816 /nfs/dbraw/zinc/19/58/16/571195816.db2.gz TUBJSDMJWNIIHM-QGZVFWFLSA-N 1 0 373.545 4.035 50 0 FIAARO FC(F)(F)CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299774605 571196762 /nfs/dbraw/zinc/19/67/62/571196762.db2.gz HLOQIIFHHNOHHV-ZNMIVQPWSA-N 1 0 351.372 4.258 50 0 FIAARO CC1=C(CC[N@H+]2CCC(=O)N(Cc3cccnc3)CC2)C(C)(C)CCC1 ZINC000299777249 571197068 /nfs/dbraw/zinc/19/70/68/571197068.db2.gz ODCDIQPVEJFAOW-UHFFFAOYSA-N 1 0 355.526 4.033 50 0 FIAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1cccc(-c2cccc(F)c2O)c1 ZINC000299791174 571200616 /nfs/dbraw/zinc/20/06/16/571200616.db2.gz CMRJNNBIBUAXGU-UHFFFAOYSA-N 1 0 370.468 4.145 50 0 FIAARO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000299803050 571203848 /nfs/dbraw/zinc/20/38/48/571203848.db2.gz VNORAMBQOSKQBI-HXUWFJFHSA-N 1 0 366.509 4.437 50 0 FIAARO Cc1cc(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)cc(C)c1O ZINC000076929820 571205357 /nfs/dbraw/zinc/20/53/57/571205357.db2.gz YOXWNJMRIZELNQ-UHFFFAOYSA-N 1 0 373.924 4.480 50 0 FIAARO O=C1CC2(CN1)CC[NH+](Cc1ccc(Oc3ccc(Cl)cc3)cc1)CC2 ZINC000077535989 571214838 /nfs/dbraw/zinc/21/48/38/571214838.db2.gz IDEOIBOKJYCUSV-UHFFFAOYSA-N 1 0 370.880 4.234 50 0 FIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3ccc(F)c(Cl)c3)c1)C2 ZINC000426409447 571221403 /nfs/dbraw/zinc/22/14/03/571221403.db2.gz REIBJMJDXVVFCW-ZWKOTPCHSA-N 1 0 372.871 4.455 50 0 FIAARO Cc1ccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2)c(C)n1 ZINC000426470551 571226571 /nfs/dbraw/zinc/22/65/71/571226571.db2.gz HMKSODQFAABDIW-QGZVFWFLSA-N 1 0 363.505 4.064 50 0 FIAARO Cc1cc(Cl)ccc1-c1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000426511647 571229348 /nfs/dbraw/zinc/22/93/48/571229348.db2.gz JPOYMWWDKDVWDU-UHFFFAOYSA-N 1 0 356.897 4.483 50 0 FIAARO COc1ccccc1[C@@H](C[NH2+]Cc1c(OC)ccc2ccccc21)N(C)C ZINC000023248971 571237507 /nfs/dbraw/zinc/23/75/07/571237507.db2.gz HMMXZBSAMHNOFX-OAQYLSRUSA-N 1 0 364.489 4.250 50 0 FIAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2 ZINC000091326703 571238957 /nfs/dbraw/zinc/23/89/57/571238957.db2.gz JRPJNTSGQHJUGK-NVXWUHKLSA-N 1 0 372.553 4.153 50 0 FIAARO CC[N@H+](C)C1(CNC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)CCCCC1 ZINC000091713303 571242762 /nfs/dbraw/zinc/24/27/62/571242762.db2.gz BJAFSYIOADEHDD-UHFFFAOYSA-N 1 0 369.553 4.406 50 0 FIAARO O=C(NCc1ccc(C(F)(F)F)cc1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817942 571243856 /nfs/dbraw/zinc/24/38/56/571243856.db2.gz UBKTUNMHYUQPEM-UHFFFAOYSA-N 1 0 374.406 4.154 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C ZINC000169681688 571247105 /nfs/dbraw/zinc/24/71/05/571247105.db2.gz OHVKUZKKWAZCKW-AZUAARDMSA-N 1 0 357.494 4.044 50 0 FIAARO COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 ZINC000007266280 571263600 /nfs/dbraw/zinc/26/36/00/571263600.db2.gz RNQYWXPCABXUJP-MRXNPFEDSA-N 1 0 370.493 4.286 50 0 FIAARO COCCOCCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)cc1 ZINC000170607380 571267430 /nfs/dbraw/zinc/26/74/30/571267430.db2.gz SVNXTEQJVOPTIP-LJQANCHMSA-N 1 0 357.494 4.230 50 0 FIAARO CSc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013737233 571271352 /nfs/dbraw/zinc/27/13/52/571271352.db2.gz AIKRUOOPPUHHRQ-UHFFFAOYSA-N 1 0 355.507 4.195 50 0 FIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 ZINC000014602433 571272102 /nfs/dbraw/zinc/27/21/02/571272102.db2.gz HOPMMYOCZAENTN-HSZRJFAPSA-N 1 0 370.496 4.209 50 0 FIAARO Cc1cnn(-c2ccc([C@@H](C)[NH2+][C@@H](C)c3cnc(C)nc3C)cc2F)c1 ZINC000090118062 571274917 /nfs/dbraw/zinc/27/49/17/571274917.db2.gz CVLIAODPVRRYJW-KGLIPLIRSA-N 1 0 353.445 4.138 50 0 FIAARO COc1ccc(CN(C)Cn2ncn([C@H](C)c3ccccc3)c2=S)cc1 ZINC000054424983 571276840 /nfs/dbraw/zinc/27/68/40/571276840.db2.gz RJFYKHIPZDIIQA-MRXNPFEDSA-N 1 0 368.506 4.121 50 0 FIAARO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc2c(c1)OCCO2 ZINC000252499934 571281161 /nfs/dbraw/zinc/28/11/61/571281161.db2.gz SJKHTIQIARXALY-QFIPXVFZSA-N 1 0 369.509 4.184 50 0 FIAARO Cc1ccc(CN(C)CC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000007902328 571292681 /nfs/dbraw/zinc/29/26/81/571292681.db2.gz FWTIXPYQPTYTQU-UHFFFAOYSA-N 1 0 361.283 4.136 50 0 FIAARO Cc1cc(N2CCCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)cc[nH+]1 ZINC000584887996 571314137 /nfs/dbraw/zinc/31/41/37/571314137.db2.gz GZFMXYMYTSIGND-OAQYLSRUSA-N 1 0 366.509 4.009 50 0 FIAARO CCc1ccc(CN(CC)C(=O)c2ccc(-c3ccc(C[NH3+])cn3)cc2)cc1 ZINC000584896935 571315531 /nfs/dbraw/zinc/31/55/31/571315531.db2.gz IPZLOPXSRMZLPE-UHFFFAOYSA-N 1 0 373.500 4.432 50 0 FIAARO COc1ccccc1CNc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000002409375 571321520 /nfs/dbraw/zinc/32/15/20/571321520.db2.gz SMMDROIKXKFOOU-UHFFFAOYSA-N 1 0 364.493 4.143 50 0 FIAARO CC(C)n1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000079191839 571327248 /nfs/dbraw/zinc/32/72/48/571327248.db2.gz ONWYPDKTCIPTDT-VQTJNVASSA-N 1 0 353.510 4.217 50 0 biogenic FIAARO Cc1ccc(O[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c2ccccc2)cc1 ZINC000096027280 571334119 /nfs/dbraw/zinc/33/41/19/571334119.db2.gz AQWKNMUGBAWTSQ-QFIPXVFZSA-N 1 0 368.521 4.350 50 0 FIAARO COc1ccc(CN2C(=O)C3=C(CCCC3)[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000057153992 571342440 /nfs/dbraw/zinc/34/24/40/571342440.db2.gz BESXKYMMPOZABU-QFIPXVFZSA-N 1 0 362.473 4.024 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000057383188 571343086 /nfs/dbraw/zinc/34/30/86/571343086.db2.gz QDYNJZFHXDMMCU-INIZCTEOSA-N 1 0 366.509 4.166 50 0 FIAARO COc1ccccc1C[C@H](C)[NH2+][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000162767560 571343541 /nfs/dbraw/zinc/34/35/41/571343541.db2.gz HXDBBLASJYQSBK-HNAYVOBHSA-N 1 0 366.465 4.058 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c1 ZINC000003049957 571344179 /nfs/dbraw/zinc/34/41/79/571344179.db2.gz WERYMCUKFHYFNP-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c(C)c1 ZINC000003049917 571344211 /nfs/dbraw/zinc/34/42/11/571344211.db2.gz YRNBISWNYKKVFT-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO C[N@H+](C1CCCC1)C1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000003058368 571344366 /nfs/dbraw/zinc/34/43/66/571344366.db2.gz IHEARKBBVKMHAN-UHFFFAOYSA-N 1 0 353.482 4.000 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2c(s1)CCCC2 ZINC000003180893 571345251 /nfs/dbraw/zinc/34/52/51/571345251.db2.gz BHGQQHLLQVUZDL-HKUYNNGSSA-N 1 0 366.530 4.383 50 0 FIAARO CN(Cn1c2ccccc2n(-c2ccccc2)c1=S)C1CC[NH+](C)CC1 ZINC000003244558 571345986 /nfs/dbraw/zinc/34/59/86/571345986.db2.gz VECKYBHKCMXRLF-UHFFFAOYSA-N 1 0 366.534 4.145 50 0 FIAARO O[C@H](C[NH2+]CCC(c1ccccc1)c1ccccc1)COc1ccccc1 ZINC000003311826 571347114 /nfs/dbraw/zinc/34/71/14/571347114.db2.gz MCNLXNKNZVFOEA-JOCHJYFZSA-N 1 0 361.485 4.238 50 0 FIAARO CC(C)([NH2+]Cc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 ZINC000058141938 571348696 /nfs/dbraw/zinc/34/86/96/571348696.db2.gz CJEHNAWRQALHDI-UHFFFAOYSA-N 1 0 366.230 4.342 50 0 FIAARO C[NH+](C)CCN(Cc1cccs1)C(=S)Nc1ccccc1Cl ZINC000003665741 571352187 /nfs/dbraw/zinc/35/21/87/571352187.db2.gz LFFJHLZMHFWVRS-UHFFFAOYSA-N 1 0 353.944 4.162 50 0 FIAARO CC[C@H](CNC(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000032447556 571357552 /nfs/dbraw/zinc/35/75/52/571357552.db2.gz KQFPXAKEDNFCTR-MRXNPFEDSA-N 1 0 360.860 4.046 50 0 FIAARO O=C(Cc1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C[C@H]2CC=CCC2)C1 ZINC000011911315 1125516595 /nfs/dbraw/zinc/51/65/95/1125516595.db2.gz LHNNIPBKWUGYLW-DWLFOUALSA-N 1 0 370.512 4.037 50 0 FIAARO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000193844167 1082273690 /nfs/dbraw/zinc/27/36/90/1082273690.db2.gz ULQPWHUUYHPNPF-ZDUSSCGKSA-N 1 0 371.447 4.329 50 0 FIAARO Brc1ccccc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000023280059 1083670522 /nfs/dbraw/zinc/67/05/22/1083670522.db2.gz MLPRJCJJJPRCCI-UHFFFAOYSA-N 1 0 359.311 4.203 50 0 FIAARO COc1cccc(C[N@@H+]2CCC[C@@H](n3c(C)cnc3-c3cccnc3)C2)c1 ZINC000581807438 1084612083 /nfs/dbraw/zinc/61/20/83/1084612083.db2.gz MWTPVJLMMSBLLB-HXUWFJFHSA-N 1 0 362.477 4.099 50 0 FIAARO CC[C@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000888093752 1086755209 /nfs/dbraw/zinc/75/52/09/1086755209.db2.gz QRRHCKAXERXYCP-OITRNQOZSA-N 1 0 359.514 4.048 50 0 FIAARO C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000194681621 1087294157 /nfs/dbraw/zinc/29/41/57/1087294157.db2.gz FVMFMSAINBJBLY-INIZCTEOSA-N 1 0 371.912 4.215 50 0 FIAARO Cc1ccc(-c2ccccc2-c2nc3c[nH]n(C4CC[NH+](C)CC4)c-3n2)o1 ZINC000019939563 1089607175 /nfs/dbraw/zinc/60/71/75/1089607175.db2.gz CBHKRDGWPUQBIX-UHFFFAOYSA-N 1 0 361.449 4.262 50 0 FIAARO Fc1ccc(-c2nc(CC[C@H]3CCC[N@H+](Cc4cccnc4)C3)no2)cc1 ZINC000675025097 1090913383 /nfs/dbraw/zinc/91/33/83/1090913383.db2.gz PWHRARVGUCNROL-MRXNPFEDSA-N 1 0 366.440 4.116 50 0 FIAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCCCO4)c2)OCC[NH2+]C3)s1 ZINC000299766494 1091695714 /nfs/dbraw/zinc/69/57/14/1091695714.db2.gz JEROMLAUCMDXGX-QGZVFWFLSA-N 1 0 359.491 4.153 50 0 FIAARO Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000624015224 1111698549 /nfs/dbraw/zinc/69/85/49/1111698549.db2.gz SJHCHQGDEQWRGE-OXJNMPFZSA-N 1 0 373.928 4.042 50 0 FIAARO Cc1nc2ccc(NC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)cc2o1 ZINC000157556666 1115177608 /nfs/dbraw/zinc/17/76/08/1115177608.db2.gz DRDYJOSNNNUWLQ-UHFFFAOYSA-N 1 0 370.497 4.301 50 0 FIAARO CC(C)(C)CC[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169765283 1115681743 /nfs/dbraw/zinc/68/17/43/1115681743.db2.gz MMIGQMXBVHMIEM-QGZVFWFLSA-N 1 0 358.526 4.106 50 0 FIAARO Cc1ccc(CCC[NH+]2CCC(Cn3c(C)cnc3[C@H]3CCCO3)CC2)o1 ZINC000257191412 1115707132 /nfs/dbraw/zinc/70/71/32/1115707132.db2.gz QFNIKUSXFBYWSO-OAQYLSRUSA-N 1 0 371.525 4.289 50 0 FIAARO CC(C)NC(=O)N1CCC2(CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257195815 1115729527 /nfs/dbraw/zinc/72/95/27/1115729527.db2.gz WYLRHJMILZAGBI-UHFFFAOYSA-N 1 0 369.553 4.188 50 0 FIAARO CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176485587 1119528186 /nfs/dbraw/zinc/52/81/86/1119528186.db2.gz ABHCREPRDAVZIH-UHFFFAOYSA-N 1 0 369.509 4.371 50 0 FIAARO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000182402196 1125453851 /nfs/dbraw/zinc/45/38/51/1125453851.db2.gz UMRDMKFOYVJOIK-OAQYLSRUSA-N 1 0 352.453 4.115 50 0 FIAARO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000225714724 209831101 /nfs/dbraw/zinc/83/11/01/209831101.db2.gz AEAYUWJGVVJONC-RFQIPJPRSA-N 1 0 365.905 4.296 50 0 FIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000019636853 209608569 /nfs/dbraw/zinc/60/85/69/209608569.db2.gz UETVUWAYCKPTFP-CYBMUJFWSA-N 1 0 353.384 4.443 50 0 FIAARO CCOC(=O)C1CC[NH+](CCCCSc2ccc(Cl)cc2)CC1 ZINC000006703504 209454347 /nfs/dbraw/zinc/45/43/47/209454347.db2.gz KLGDJLHXKMNMRX-UHFFFAOYSA-N 1 0 355.931 4.487 50 0 FIAARO Cc1cc(C[NH+]2CCC(CNC(=O)Cc3ccccc3Cl)CC2)c(C)o1 ZINC000043972567 209312600 /nfs/dbraw/zinc/31/26/00/209312600.db2.gz VVXUPNUERCBFSD-UHFFFAOYSA-N 1 0 374.912 4.121 50 0 FIAARO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cscn1 ZINC000097548854 209186693 /nfs/dbraw/zinc/18/66/93/209186693.db2.gz KXLUFOAHVWNWGP-UHFFFAOYSA-N 1 0 372.321 4.044 50 0 FIAARO Cc1ccc(COc2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000097475066 209183301 /nfs/dbraw/zinc/18/33/01/209183301.db2.gz KKNOTNUHUUVJJZ-QFIPXVFZSA-N 1 0 352.522 4.490 50 0 FIAARO C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCCCO1 ZINC000097493169 209182842 /nfs/dbraw/zinc/18/28/42/209182842.db2.gz VWLCESDEJWMWIM-ZDUSSCGKSA-N 1 0 364.230 4.051 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc(F)cc1)c1cccc(OC)c1 ZINC000096947467 209163957 /nfs/dbraw/zinc/16/39/57/209163957.db2.gz QVKGNXOQXVYCLC-SZRHCGQDSA-N 1 0 370.468 4.047 50 0 FIAARO CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000012863622 220037454 /nfs/dbraw/zinc/03/74/54/220037454.db2.gz RIRWSMOSEHHGOG-UHFFFAOYSA-N 1 0 359.473 4.116 50 0 FIAARO C[N@@H+](Cc1cccc(F)c1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918047 220042871 /nfs/dbraw/zinc/04/28/71/220042871.db2.gz FLWFLVSMCULURD-QFIPXVFZSA-N 1 0 365.448 4.364 50 0 FIAARO Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(F)c3F)c(C[NH+](C)C)c2s1 ZINC000096363845 209151951 /nfs/dbraw/zinc/15/19/51/209151951.db2.gz JOODMWHPTZEMTM-UHFFFAOYSA-N 1 0 367.396 4.269 50 0 FIAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000096139715 209120563 /nfs/dbraw/zinc/12/05/63/209120563.db2.gz YTJBTANBGIMSII-QFIPXVFZSA-N 1 0 351.494 4.083 50 0 FIAARO C[NH+](C)CCN(C(=O)Nc1ccc(Oc2cccnc2)cc1)C1CCCC1 ZINC000096140805 209120378 /nfs/dbraw/zinc/12/03/78/209120378.db2.gz LSUQISPGNSZCST-UHFFFAOYSA-N 1 0 368.481 4.212 50 0 FIAARO CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000096141870 209122084 /nfs/dbraw/zinc/12/20/84/209122084.db2.gz KBLRNSASRVCYAM-CQSZACIVSA-N 1 0 353.894 4.075 50 0 FIAARO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1 ZINC000096132852 209116722 /nfs/dbraw/zinc/11/67/22/209116722.db2.gz IBLBSEJBNUEPSN-SFHVURJKSA-N 1 0 366.509 4.162 50 0 FIAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000756990 206829755 /nfs/dbraw/zinc/82/97/55/206829755.db2.gz CXSKOTCJAYCPKP-UHFFFAOYSA-N 1 0 364.258 4.072 50 0 FIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000010383835 206894731 /nfs/dbraw/zinc/89/47/31/206894731.db2.gz RXGWSHFUJMFZPS-ONUXSRJRSA-N 1 0 351.575 4.385 50 0 FIAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1F ZINC000004413575 207018628 /nfs/dbraw/zinc/01/86/28/207018628.db2.gz UHPXMGGFBPLFEH-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO CCOc1cc([C@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1OC ZINC000004577379 207029076 /nfs/dbraw/zinc/02/90/76/207029076.db2.gz JZWUBMJGRUCSEH-JOCHJYFZSA-N 1 0 371.477 4.126 50 0 biogenic FIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)c1 ZINC000004678788 207036628 /nfs/dbraw/zinc/03/66/28/207036628.db2.gz NCKRAFWSZZEONA-UHFFFAOYSA-N 1 0 351.450 4.333 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(F)c3)n2CCOC)cc1 ZINC000004679227 207037444 /nfs/dbraw/zinc/03/74/44/207037444.db2.gz KTECPDOBEJWKEA-UHFFFAOYSA-N 1 0 369.440 4.346 50 0 FIAARO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)CC[C@]1(O)c1ccccc1 ZINC000004721467 207041834 /nfs/dbraw/zinc/04/18/34/207041834.db2.gz LNTVSDPXHOIVLW-UPVQGACJSA-N 1 0 363.501 4.412 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000004927691 207062481 /nfs/dbraw/zinc/06/24/81/207062481.db2.gz SDLXULNZSDDLHI-GOSISDBHSA-N 1 0 367.518 4.492 50 0 FIAARO COc1cc(Nc2c3c([nH+]c4ccccc42)CCC3)cc(OC)c1OC ZINC000004923578 207063120 /nfs/dbraw/zinc/06/31/20/207063120.db2.gz HXOVPCUOUQBJIK-UHFFFAOYSA-N 1 0 350.418 4.493 50 0 FIAARO CCCC[NH2+]C[C@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992284 207070037 /nfs/dbraw/zinc/07/00/37/207070037.db2.gz BPPZVGTWBJTIAC-VQTJNVASSA-N 1 0 372.896 4.201 50 0 FIAARO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OCC ZINC000005019767 207072680 /nfs/dbraw/zinc/07/26/80/207072680.db2.gz KFDLXYKKVSAZLA-UHFFFAOYSA-N 1 0 363.841 4.156 50 0 FIAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1 ZINC000004998043 207071521 /nfs/dbraw/zinc/07/15/21/207071521.db2.gz LTCNSWDHIICVBP-SFHVURJKSA-N 1 0 361.869 4.196 50 0 FIAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC[C@H]2Cc2ccccc2)cc1OC ZINC000005295618 207091171 /nfs/dbraw/zinc/09/11/71/207091171.db2.gz GRNHWVZRTOCEGS-WOJBJXKFSA-N 1 0 369.505 4.220 50 0 FIAARO CCCCn1c2ccccc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000005485360 207101725 /nfs/dbraw/zinc/10/17/25/207101725.db2.gz OCUZEYYKUPMJPW-UHFFFAOYSA-N 1 0 357.527 4.214 50 0 FIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3F)CC2)cc1 ZINC000006767517 207162493 /nfs/dbraw/zinc/16/24/93/207162493.db2.gz LZVLPEOPUPABRE-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO 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O=C(c1ccc(-c2ccco2)cc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012298254 207355572 /nfs/dbraw/zinc/35/55/72/207355572.db2.gz LHWSQZOFFJCCPE-QHCPKHFHSA-N 1 0 364.489 4.285 50 0 FIAARO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000012373584 207368098 /nfs/dbraw/zinc/36/80/98/207368098.db2.gz WBOFYJJSTAOEJQ-LJQANCHMSA-N 1 0 368.456 4.430 50 0 FIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012387448 207369601 /nfs/dbraw/zinc/36/96/01/207369601.db2.gz OSFGCDNLFYLLJG-KURNWNDPSA-N 1 0 369.480 4.165 50 0 FIAARO O=C(CC1=CCCCC1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012447847 207378317 /nfs/dbraw/zinc/37/83/17/207378317.db2.gz WZPALWFCDLTIHD-QFIPXVFZSA-N 1 0 367.537 4.033 50 0 FIAARO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](CC3CC3)CC2)c1 ZINC000012459024 207381056 /nfs/dbraw/zinc/38/10/56/207381056.db2.gz ZPMNHOYGPRXMSJ-UHFFFAOYSA-N 1 0 364.489 4.423 50 0 FIAARO Cc1ccccc1[C@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000012455044 207381186 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FIAARO CC1(C)C[C@](CC[NH+]2CCOCC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000020573715 207744693 /nfs/dbraw/zinc/74/46/93/207744693.db2.gz BTEVEUVEOXCPKB-LJQANCHMSA-N 1 0 371.443 4.255 50 0 FIAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C1CCCC1 ZINC000023398690 207845236 /nfs/dbraw/zinc/84/52/36/207845236.db2.gz LCEMDQPUDMLQKX-KRWDZBQOSA-N 1 0 354.416 4.119 50 0 FIAARO CC(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000029358422 207989741 /nfs/dbraw/zinc/98/97/41/207989741.db2.gz ONHLOPCWPHVVSK-UHFFFAOYSA-N 1 0 370.518 4.113 50 0 FIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1cccc2ccccc21 ZINC000031662734 208014980 /nfs/dbraw/zinc/01/49/80/208014980.db2.gz BKURMTVENDRMJY-UHFFFAOYSA-N 1 0 359.473 4.410 50 0 FIAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804144 208044498 /nfs/dbraw/zinc/04/44/98/208044498.db2.gz WEPCRBJQGWSVEC-QGZVFWFLSA-N 1 0 366.480 4.184 50 0 FIAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018798 208066399 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O=C(CCc1ccc(Cl)s1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058424418 208584675 /nfs/dbraw/zinc/58/46/75/208584675.db2.gz FKXJWSKOWFGHMA-UHFFFAOYSA-N 1 0 368.974 4.495 50 0 FIAARO Cc1ccc2nc(C)cc(C(=O)NCC3([NH+]4CCCC4)CCCCC3)c2c1 ZINC000077440549 208908024 /nfs/dbraw/zinc/90/80/24/208908024.db2.gz LQQKQXZFDLHRDT-UHFFFAOYSA-N 1 0 365.521 4.380 50 0 FIAARO CC[NH+](CC)CCn1cc(N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000095992461 209093128 /nfs/dbraw/zinc/09/31/28/209093128.db2.gz URXYDFFNBHCXHH-LBPRGKRZSA-N 1 0 370.328 4.287 50 0 FIAARO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000095989234 209093134 /nfs/dbraw/zinc/09/31/34/209093134.db2.gz MNEPFHQATVXXPN-KKSFZXQISA-N 1 0 353.441 4.186 50 0 FIAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355294 209024482 /nfs/dbraw/zinc/02/44/82/209024482.db2.gz IYNMVBWGMLWPQE-GOSISDBHSA-N 1 0 357.498 4.080 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1nccs1 ZINC000095390240 209045278 /nfs/dbraw/zinc/04/52/78/209045278.db2.gz 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COc1ccc(C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1F ZINC000095951868 209089145 /nfs/dbraw/zinc/08/91/45/209089145.db2.gz OHWAOYMXKCYEJT-FUHWJXTLSA-N 1 0 370.251 4.231 50 0 FIAARO C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000095943500 209088709 /nfs/dbraw/zinc/08/87/09/209088709.db2.gz HXVIOPYTQXPYCV-KXBFYZLASA-N 1 0 353.466 4.195 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1Br)CC(C)C ZINC000058823438 221123102 /nfs/dbraw/zinc/12/31/02/221123102.db2.gz NXDFTCHCPLYDBL-CQSZACIVSA-N 1 0 370.335 4.327 50 0 FIAARO O=C(Nc1ccc2[nH]ccc2c1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000095519049 209072389 /nfs/dbraw/zinc/07/23/89/209072389.db2.gz QAGPRUNNLUHTAU-INIZCTEOSA-N 1 0 354.479 4.016 50 0 FIAARO Cc1cc(N2CCC(CNC(=O)CCc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000253402331 132377179 /nfs/dbraw/zinc/37/71/79/132377179.db2.gz ODHDOFDHABZNQO-UHFFFAOYSA-N 1 0 371.912 4.009 50 0 FIAARO Clc1ccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000757771 132378364 /nfs/dbraw/zinc/37/83/64/132378364.db2.gz DFKXFCOAJZEVPN-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO CC1(C)CCc2cc(C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2O1 ZINC000004307647 132386738 /nfs/dbraw/zinc/38/67/38/132386738.db2.gz XIJBGTLKQFJILS-UHFFFAOYSA-N 1 0 354.469 4.252 50 0 FIAARO Clc1c2ccccc2sc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000048745274 136123687 /nfs/dbraw/zinc/12/36/87/136123687.db2.gz GCJSQEKUCAWBJE-CYBMUJFWSA-N 1 0 358.898 4.103 50 0 FIAARO Clc1c2ccccc2sc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000048745275 136123727 /nfs/dbraw/zinc/12/37/27/136123727.db2.gz GCJSQEKUCAWBJE-ZDUSSCGKSA-N 1 0 358.898 4.103 50 0 FIAARO OCCCC[NH2+]C1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1 ZINC000055072490 136125875 /nfs/dbraw/zinc/12/58/75/136125875.db2.gz MLSOVDQGXBEDKS-UHFFFAOYSA-N 1 0 358.913 4.338 50 0 FIAARO Cc1ccc(C[NH2+]C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)o1 ZINC000055133757 136126122 /nfs/dbraw/zinc/12/61/22/136126122.db2.gz AGWXROGXEMDAQX-UHFFFAOYSA-N 1 0 362.477 4.112 50 0 FIAARO COc1ccccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055542977 136126801 /nfs/dbraw/zinc/12/68/01/136126801.db2.gz PZISCMSFFABJJN-UHFFFAOYSA-N 1 0 350.384 4.036 50 0 FIAARO C(CC[NH+]1CCN(c2ncccn2)CC1)=C(c1ccccc1)c1ccccc1 ZINC000071404352 136139132 /nfs/dbraw/zinc/13/91/32/136139132.db2.gz GQPURKBPAQZWSI-UHFFFAOYSA-N 1 0 370.500 4.121 50 0 FIAARO Cc1[nH]ccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095530292 209079389 /nfs/dbraw/zinc/07/93/89/209079389.db2.gz SJYVQLUHEFMRQU-GOSISDBHSA-N 1 0 373.928 4.003 50 0 FIAARO Cc1cccnc1-c1ccc(C(=O)N(C)CCC[NH+]2CCCCCC2)cc1 ZINC000426431384 263589686 /nfs/dbraw/zinc/58/96/86/263589686.db2.gz SLYPGRRNIKCQHC-UHFFFAOYSA-N 1 0 365.521 4.395 50 0 FIAARO O=C(c1ccc(-c2cc(Cl)ccc2O)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000426493088 263607052 /nfs/dbraw/zinc/60/70/52/263607052.db2.gz VIUKJQBKPPWEGP-UHFFFAOYSA-N 1 0 370.880 4.023 50 0 FIAARO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000248244022 524319004 /nfs/dbraw/zinc/31/90/04/524319004.db2.gz 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CCOc1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)cn1 ZINC000215508242 568074258 /nfs/dbraw/zinc/07/42/58/568074258.db2.gz IMEQYJVSIRVFAO-QNWVGRARSA-N 1 0 366.505 4.133 50 0 FIAARO Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C[NH+](C)C)cs1 ZINC000216041694 568102287 /nfs/dbraw/zinc/10/22/87/568102287.db2.gz DCGZBUSHIBIBFS-LJQANCHMSA-N 1 0 354.523 4.034 50 0 FIAARO Cc1ccc2cc(C(=O)NC3(C[NH+]4CCCC4)CCCCC3)n(C)c2c1 ZINC000216294927 568116944 /nfs/dbraw/zinc/11/69/44/568116944.db2.gz WEDRJKMRLYRJAP-UHFFFAOYSA-N 1 0 353.510 4.015 50 0 FIAARO COc1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c1 ZINC000022767043 568308230 /nfs/dbraw/zinc/30/82/30/568308230.db2.gz QDUUVFCGIHTNSJ-IBGZPJMESA-N 1 0 373.522 4.496 50 0 FIAARO CC[C@H]1C[N@H+](Cc2scnc2C)[C@@H](CC)CN1Cc1scnc1C ZINC000222091702 568496224 /nfs/dbraw/zinc/49/62/24/568496224.db2.gz GYDRGYFZGJVZDN-HOTGVXAUSA-N 1 0 364.584 4.091 50 0 FIAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000798386 570457048 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O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005274979 570645935 /nfs/dbraw/zinc/64/59/35/570645935.db2.gz QIDGKKNCSDYWRY-MLGOLLRUSA-N 1 0 367.396 4.427 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000002735153 570669594 /nfs/dbraw/zinc/66/95/94/570669594.db2.gz JUMJMQVCTRHKTK-HZPDHXFCSA-N 1 0 365.359 4.391 50 0 FIAARO O=C1CC[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1C(F)(F)F ZINC000012038424 570715008 /nfs/dbraw/zinc/71/50/08/570715008.db2.gz CMOMIMDXAKZDTH-INIZCTEOSA-N 1 0 366.427 4.096 50 0 FIAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](CCCc2ccccc2)C1 ZINC000012058716 570716017 /nfs/dbraw/zinc/71/60/17/570716017.db2.gz AEDZXCSGSXCFBU-JOCHJYFZSA-N 1 0 359.460 4.215 50 0 FIAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCCCC2)CC1 ZINC000012194870 570726252 /nfs/dbraw/zinc/72/62/52/570726252.db2.gz QXTRZPFAMMTXBI-UHFFFAOYSA-N 1 0 366.509 4.034 50 0 FIAARO O=C(C1=CCCCC1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012595697 570753044 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FIAARO Clc1ccc2c(c1)nccc2NCc1ccc(CN2CCOCC2)cc1 ZINC000018061485 570806873 /nfs/dbraw/zinc/80/68/73/570806873.db2.gz NXOLIDYFWZLBIS-UHFFFAOYSA-N 1 0 367.880 4.333 50 0 FIAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000018180463 570813786 /nfs/dbraw/zinc/81/37/86/570813786.db2.gz QABBWCBZTLWYKF-HNNXBMFYSA-N 1 0 364.276 4.389 50 0 FIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000165179110 570818471 /nfs/dbraw/zinc/81/84/71/570818471.db2.gz ZAMHNOMJPXZDFV-GGAORHGYSA-N 1 0 364.533 4.322 50 0 FIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000165178991 570818500 /nfs/dbraw/zinc/81/85/00/570818500.db2.gz ZAMHNOMJPXZDFV-FYYLOGMGSA-N 1 0 364.533 4.322 50 0 FIAARO C[N@H+](CCCNC(=O)c1ccc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000032841723 570820028 /nfs/dbraw/zinc/82/00/28/570820028.db2.gz SDYJONYKIGEJJA-UHFFFAOYSA-N 1 0 366.436 4.338 50 0 FIAARO Cc1ccoc1C(=O)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000014950488 570826361 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Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000015079778 570832598 /nfs/dbraw/zinc/83/25/98/570832598.db2.gz QCCSOXGXIBTZIO-QGZVFWFLSA-N 1 0 355.457 4.160 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCC(C)CC2)cc1 ZINC000015860299 570846517 /nfs/dbraw/zinc/84/65/17/570846517.db2.gz JLCQXCOSPNGLNM-HXUWFJFHSA-N 1 0 370.493 4.190 50 0 FIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccccc1 ZINC000016623378 570859213 /nfs/dbraw/zinc/85/92/13/570859213.db2.gz RUEKSHQCNSAUCA-UHFFFAOYSA-N 1 0 357.885 4.374 50 0 FIAARO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984358 570865551 /nfs/dbraw/zinc/86/55/51/570865551.db2.gz OIQOQOYLAIGATN-VQTJNVASSA-N 1 0 372.896 4.106 50 0 FIAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000107533992 570897214 /nfs/dbraw/zinc/89/72/14/570897214.db2.gz CQUSTFONQRXFHY-ACJLOTCBSA-N 1 0 369.336 4.465 50 0 FIAARO C[NH+]1CCN([C@@H]2Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 ZINC000019802234 570903318 /nfs/dbraw/zinc/90/33/18/570903318.db2.gz GPRZDPJGSSBXME-QGZVFWFLSA-N 1 0 362.901 4.475 50 0 FIAARO C[N@H+](Cc1cccc2cccnc21)C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000019838661 570904214 /nfs/dbraw/zinc/90/42/14/570904214.db2.gz ZQKRVUJSMSSQEB-JOCHJYFZSA-N 1 0 350.437 4.164 50 0 FIAARO CCc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000019842134 570904254 /nfs/dbraw/zinc/90/42/54/570904254.db2.gz SVFNFLVWUBNMBY-UHFFFAOYSA-N 1 0 373.338 4.329 50 0 FIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000021720789 570934029 /nfs/dbraw/zinc/93/40/29/570934029.db2.gz ZFVFJTAJMHAGMK-GOSISDBHSA-N 1 0 366.465 4.281 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000021807456 570934887 /nfs/dbraw/zinc/93/48/87/570934887.db2.gz HGIIEQVDLOZSBV-HXUWFJFHSA-N 1 0 363.461 4.155 50 0 FIAARO O=C(/C=C/c1ccccc1)OC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000022023379 570937796 /nfs/dbraw/zinc/93/77/96/570937796.db2.gz YQWCWOYQKNPYTC-YVNCXZRQSA-N 1 0 353.437 4.294 50 0 FIAARO CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000022619168 570947831 /nfs/dbraw/zinc/94/78/31/570947831.db2.gz NIJJTCJVWBEVMY-YADHBBJMSA-N 1 0 366.505 4.142 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)c1ccccc1 ZINC000048354458 570949764 /nfs/dbraw/zinc/94/97/64/570949764.db2.gz IUTZZOOEIAERSG-IBGZPJMESA-N 1 0 350.487 4.448 50 0 FIAARO Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)cn2)cc1 ZINC000048413355 570954376 /nfs/dbraw/zinc/95/43/76/570954376.db2.gz DBFRGIWHPBVFJL-UHFFFAOYSA-N 1 0 368.481 4.177 50 0 FIAARO Cc1nc(-c2ccc(N3CCC([NH2+]Cc4cccnc4)CC3)cc2)cs1 ZINC000023339939 570961945 /nfs/dbraw/zinc/96/19/45/570961945.db2.gz HBCCACCJAPSHDO-UHFFFAOYSA-N 1 0 364.518 4.272 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000023359709 570962172 /nfs/dbraw/zinc/96/21/72/570962172.db2.gz KZTNTTWYLMZECY-QHCPKHFHSA-N 1 0 359.517 4.374 50 0 FIAARO CC(C)[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C1CC1 ZINC000026942504 571009144 /nfs/dbraw/zinc/00/91/44/571009144.db2.gz XDWYCSXHKALBFI-UHFFFAOYSA-N 1 0 366.509 4.341 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027581353 571013898 /nfs/dbraw/zinc/01/38/98/571013898.db2.gz KGYBBQAPZPZHNN-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604108 571015976 /nfs/dbraw/zinc/01/59/76/571015976.db2.gz PBLZWGFECBPMSZ-GOSISDBHSA-N 1 0 358.507 4.102 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662577 571017098 /nfs/dbraw/zinc/01/70/98/571017098.db2.gz YGOKMHARIDVZIJ-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO O=C(Cc1ccccc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027663742 571017708 /nfs/dbraw/zinc/01/77/08/571017708.db2.gz KGYNDKDDYGZMKE-HXUWFJFHSA-N 1 0 356.897 4.226 50 0 FIAARO Cc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027749531 571020677 /nfs/dbraw/zinc/02/06/77/571020677.db2.gz UVLSPCFMXWQFCR-QFIPXVFZSA-N 1 0 350.506 4.271 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027794339 571021699 /nfs/dbraw/zinc/02/16/99/571021699.db2.gz WEHIYXAAAYPKOH-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 FIAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000072277762 571033682 /nfs/dbraw/zinc/03/36/82/571033682.db2.gz PENRFRCKWYTOQB-QGZVFWFLSA-N 1 0 363.550 4.103 50 0 FIAARO COc1ccc([C@H](CNc2nc3ccccc3o2)[NH+]2CCCCC2)cc1 ZINC000029319918 571038395 /nfs/dbraw/zinc/03/83/95/571038395.db2.gz LDOJUIYKFGCCMD-IBGZPJMESA-N 1 0 351.450 4.476 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000029328242 571038687 /nfs/dbraw/zinc/03/86/87/571038687.db2.gz YITHKZWXNMYMBI-LAUBAEHRSA-N 1 0 369.509 4.139 50 0 FIAARO CCCC[N@H+](Cc1cccc(OCC(N)=O)c1)[C@@H](CC)c1ccccc1 ZINC000072285249 571040220 /nfs/dbraw/zinc/04/02/20/571040220.db2.gz LHMMMGDLQPNQPC-NRFANRHFSA-N 1 0 354.494 4.304 50 0 FIAARO CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038489613 571043845 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FIAARO Cc1ccccc1OCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000040119458 571080077 /nfs/dbraw/zinc/08/00/77/571080077.db2.gz QVDLEKWLYDDOLN-GOSISDBHSA-N 1 0 352.478 4.387 50 0 FIAARO O=C(CCc1ccc(Cl)cc1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000073954752 571083270 /nfs/dbraw/zinc/08/32/70/571083270.db2.gz BOEPDCHGFGLBNX-UHFFFAOYSA-N 1 0 370.924 4.096 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NCCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2c1C ZINC000040146750 571085537 /nfs/dbraw/zinc/08/55/37/571085537.db2.gz JELCIYUKYBFCFA-HZPDHXFCSA-N 1 0 355.526 4.273 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000084699908 571097415 /nfs/dbraw/zinc/09/74/15/571097415.db2.gz UQRSQANWYFCMSK-KSZLIROESA-N 1 0 374.491 4.326 50 0 FIAARO CN1CCS/C1=C/C=C1/C=C(/C=C/C2=[N+](C)CCS2)c2ccccc21 ZINC000685944503 571104482 /nfs/dbraw/zinc/10/44/82/571104482.db2.gz SMYYEIXQLBUTGX-UHFFFAOYSA-N 1 0 367.563 4.331 50 0 FIAARO COC(=O)C[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000240757012 571109330 /nfs/dbraw/zinc/10/93/30/571109330.db2.gz HVWOCVBNTUGTGK-ZDUSSCGKSA-N 1 0 360.281 4.037 50 0 FIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000055037160 571115256 /nfs/dbraw/zinc/11/52/56/571115256.db2.gz JLCAFRKUVTXPBD-MRXNPFEDSA-N 1 0 367.474 4.040 50 0 FIAARO Fc1ccc(Oc2ncccc2C[NH2+]C2CSCCSC2)c(F)c1 ZINC000055245093 571118409 /nfs/dbraw/zinc/11/84/09/571118409.db2.gz XKTUNRGEWUTNTM-UHFFFAOYSA-N 1 0 368.474 4.090 50 0 FIAARO C[C@H](NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000058161160 571126301 /nfs/dbraw/zinc/12/63/01/571126301.db2.gz SYXRCHGRDHPCJO-KRWDZBQOSA-N 1 0 362.448 4.382 50 0 FIAARO C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000058163598 571126655 /nfs/dbraw/zinc/12/66/55/571126655.db2.gz DUYYCHVSCIUKRF-UXHICEINSA-N 1 0 371.912 4.017 50 0 FIAARO C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000058163596 571126743 /nfs/dbraw/zinc/12/67/43/571126743.db2.gz DUYYCHVSCIUKRF-PMACEKPBSA-N 1 0 371.912 4.017 50 0 FIAARO C[C@@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000058227199 571130054 /nfs/dbraw/zinc/13/00/54/571130054.db2.gz CSTZEVYKYOUBIF-AWEZNQCLSA-N 1 0 373.324 4.001 50 0 FIAARO CCc1ccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000058246471 571130251 /nfs/dbraw/zinc/13/02/51/571130251.db2.gz MLICLKXQYUAJBJ-UHFFFAOYSA-N 1 0 357.542 4.047 50 0 FIAARO CC(C)(C)Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000058265932 571130258 /nfs/dbraw/zinc/13/02/58/571130258.db2.gz XTWBKCQUTANEBB-UHFFFAOYSA-N 1 0 370.497 4.049 50 0 FIAARO Cc1ccccc1SCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000058312135 571130953 /nfs/dbraw/zinc/13/09/53/571130953.db2.gz AVBSGJGGVIOIAH-UHFFFAOYSA-N 1 0 369.534 4.232 50 0 FIAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000058331024 571131008 /nfs/dbraw/zinc/13/10/08/571131008.db2.gz IRRHZCBQVMRVQK-UHFFFAOYSA-N 1 0 367.493 4.066 50 0 FIAARO COc1ccc(NC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)cc1Cl ZINC000015861048 571138385 /nfs/dbraw/zinc/13/83/85/571138385.db2.gz GHRNZPFYAIUXKA-UHFFFAOYSA-N 1 0 370.880 4.428 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1ccc(Sc2nncn2C)o1 ZINC000063846009 571140313 /nfs/dbraw/zinc/14/03/13/571140313.db2.gz DCUZWSDXJVRDSE-CYBMUJFWSA-N 1 0 362.524 4.422 50 0 FIAARO CCn1cnnc1CC[NH2+]Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000063856226 571140347 /nfs/dbraw/zinc/14/03/47/571140347.db2.gz RSTUFGDZYFZGEG-UHFFFAOYSA-N 1 0 362.886 4.028 50 0 FIAARO COc1ccc(-c2c(-c3ccccc3)ncn2CCC[NH+](C)C)c(F)c1F ZINC000065408690 571143212 /nfs/dbraw/zinc/14/32/12/571143212.db2.gz CBKVAIXMSJXHEV-UHFFFAOYSA-N 1 0 371.431 4.456 50 0 FIAARO CCn1ccnc1-c1c(-c2ccccc2)ncn1C[C@@H]1CCCC[N@@H+]1CC ZINC000065529913 571144549 /nfs/dbraw/zinc/14/45/49/571144549.db2.gz LYMSNPLIILFRIZ-IBGZPJMESA-N 1 0 363.509 4.308 50 0 FIAARO CC1(C)CC(N2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067540908 571146983 /nfs/dbraw/zinc/14/69/83/571146983.db2.gz XNDGXVBRHVGNHZ-UHFFFAOYSA-N 1 0 357.473 4.148 50 0 FIAARO CCc1cc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)ccc1NC(C)=O 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/nfs/dbraw/zinc/19/29/34/571192934.db2.gz APRXLGFTVFIVNH-UHFFFAOYSA-N 1 0 371.496 4.013 50 0 FIAARO Cc1noc(C)c1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299773721 571196498 /nfs/dbraw/zinc/19/64/98/571196498.db2.gz HFFKLVAZTMTHNI-BBWFWOEESA-N 1 0 350.422 4.034 50 0 FIAARO COc1ccccc1Oc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCC2)cc1 ZINC000299774922 571196671 /nfs/dbraw/zinc/19/66/71/571196671.db2.gz JNDZPTVVSUKFOH-MRXNPFEDSA-N 1 0 369.465 4.093 50 0 FIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CC[C@@H](O)C2)CCC4)c1 ZINC000072478781 571199448 /nfs/dbraw/zinc/19/94/48/571199448.db2.gz GGGZDRPLPQLFIJ-JOCHJYFZSA-N 1 0 358.485 4.266 50 0 FIAARO COc1ccccc1-c1ncc(CN2CCCC[C@H]2c2nc(C)no2)s1 ZINC000299787726 571199822 /nfs/dbraw/zinc/19/98/22/571199822.db2.gz XGRACMUPYCXQMW-INIZCTEOSA-N 1 0 370.478 4.237 50 0 FIAARO Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc(C)n1 ZINC000299790936 571200646 /nfs/dbraw/zinc/20/06/46/571200646.db2.gz COYFTTKGWHLTAP-ZCNNSNEGSA-N 1 0 360.461 4.441 50 0 FIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000075572447 571200950 /nfs/dbraw/zinc/20/09/50/571200950.db2.gz PBRUMJFESWPDFV-AWEZNQCLSA-N 1 0 368.319 4.083 50 0 FIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3F)c(=[NH2+])oc2c1 ZINC000004058988 571209948 /nfs/dbraw/zinc/20/99/48/571209948.db2.gz PYQXFMOQCBXPLS-UHFFFAOYSA-N 1 0 353.397 4.150 50 0 FIAARO Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3CCc3nccn3C)on2)cc1 ZINC000077453709 571211905 /nfs/dbraw/zinc/21/19/05/571211905.db2.gz XWPSTSYRWIDFQI-IBGZPJMESA-N 1 0 364.493 4.371 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)cc1Cl ZINC000077525387 571214866 /nfs/dbraw/zinc/21/48/66/571214866.db2.gz YDYATHAKCOMAFV-KRWDZBQOSA-N 1 0 364.917 4.106 50 0 FIAARO Cc1ccnc(-c2ccc(C(=O)NCCC[N@@H+](C)C3CCCC3)cc2)c1 ZINC000426370275 571215869 /nfs/dbraw/zinc/21/58/69/571215869.db2.gz DRPIRQDFCMUFOK-UHFFFAOYSA-N 1 0 351.494 4.051 50 0 FIAARO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCCC3)cc2)cn1 ZINC000426380660 571217201 /nfs/dbraw/zinc/21/72/01/571217201.db2.gz QEZVARHKZUIQON-JOCHJYFZSA-N 1 0 363.505 4.148 50 0 FIAARO Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)CN1CCc2sccc2C1 ZINC000084067775 571232479 /nfs/dbraw/zinc/23/24/79/571232479.db2.gz UNVBHCCUWYSSAJ-ZDUSSCGKSA-N 1 0 372.465 4.177 50 0 FIAARO CSc1ccc(-c2ccc(C(=O)N3CC([NH+]4CCCCC4)C3)cc2)cc1 ZINC000426620278 571233532 /nfs/dbraw/zinc/23/35/32/571233532.db2.gz RCQAQLRRUNFUJE-UHFFFAOYSA-N 1 0 366.530 4.386 50 0 FIAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2c(C)n(CC)c3ccccc23)CC1 ZINC000064669874 571238503 /nfs/dbraw/zinc/23/85/03/571238503.db2.gz JCEHTKSMMRLJJB-MRXNPFEDSA-N 1 0 355.526 4.096 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccc4)C3)CC2)s1 ZINC000091380695 571239233 /nfs/dbraw/zinc/23/92/33/571239233.db2.gz ZOZXIQXTKCICJC-UHFFFAOYSA-N 1 0 368.546 4.461 50 0 FIAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468403 571239929 /nfs/dbraw/zinc/23/99/29/571239929.db2.gz COIVOYXVEGUSOB-AWEZNQCLSA-N 1 0 355.379 4.441 50 0 FIAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091486783 571240100 /nfs/dbraw/zinc/24/01/00/571240100.db2.gz REZZIXVQINFOJW-VQTJNVASSA-N 1 0 366.530 4.032 50 0 FIAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc2ccc(F)cc2c1OC ZINC000064756505 571240862 /nfs/dbraw/zinc/24/08/62/571240862.db2.gz SJBMNXPSVUDIPH-AWEZNQCLSA-N 1 0 364.486 4.043 50 0 FIAARO COc1c2cc(Cl)ccc2sc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000064756684 571241003 /nfs/dbraw/zinc/24/10/03/571241003.db2.gz UQLCMUMNMNTRQH-GFCCVEGCSA-N 1 0 366.914 4.168 50 0 FIAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091690155 571242366 /nfs/dbraw/zinc/24/23/66/571242366.db2.gz HWHPYWASMUAAAZ-AWEZNQCLSA-N 1 0 352.906 4.260 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169677154 571246906 /nfs/dbraw/zinc/24/69/06/571246906.db2.gz GSVFDHHQPLTUFJ-NZQKXSOJSA-N 1 0 355.522 4.482 50 0 FIAARO CCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000065285359 571260078 /nfs/dbraw/zinc/26/00/78/571260078.db2.gz SKIMUHUYGKQWGU-GOSISDBHSA-N 1 0 364.493 4.230 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CCCC1 ZINC000065515076 571264300 /nfs/dbraw/zinc/26/43/00/571264300.db2.gz PWTUXIVAWJACBK-UHFFFAOYSA-N 1 0 351.903 4.001 50 0 FIAARO COc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000170602798 571267176 /nfs/dbraw/zinc/26/71/76/571267176.db2.gz SUDWFVNSRVJNFN-HOTGVXAUSA-N 1 0 371.477 4.272 50 0 FIAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)o1 ZINC000170634560 571275199 /nfs/dbraw/zinc/27/51/99/571275199.db2.gz IJHVLCIAAVQMDJ-HOTGVXAUSA-N 1 0 372.431 4.306 50 0 FIAARO Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000237507927 571277255 /nfs/dbraw/zinc/27/72/55/571277255.db2.gz KDFCWMYQUYTHJH-GJZGRUSLSA-N 1 0 371.550 4.322 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000237951696 571277388 /nfs/dbraw/zinc/27/73/88/571277388.db2.gz ZFFNLLUKJWHZNT-OAQYLSRUSA-N 1 0 351.421 4.228 50 0 FIAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000252515316 571281940 /nfs/dbraw/zinc/28/19/40/571281940.db2.gz IJHVLCIAAVQMDJ-CVEARBPZSA-N 1 0 372.431 4.306 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000195528584 571289652 /nfs/dbraw/zinc/28/96/52/571289652.db2.gz BLOAWBJDLRBEDT-ZWKOTPCHSA-N 1 0 361.869 4.228 50 0 FIAARO C[N@H+](Cc1ccccc1NC(=O)NCc1cccnc1)C1CCCCC1 ZINC000053248932 571309047 /nfs/dbraw/zinc/30/90/47/571309047.db2.gz IYLLFOPPRPFWES-UHFFFAOYSA-N 1 0 352.482 4.168 50 0 FIAARO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000253392209 571311905 /nfs/dbraw/zinc/31/19/05/571311905.db2.gz HFSFNHORMIHPAT-IRXDYDNUSA-N 1 0 356.897 4.495 50 0 FIAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000002296729 571316315 /nfs/dbraw/zinc/31/63/15/571316315.db2.gz VPJGYORAHWGDBK-QHCPKHFHSA-N 1 0 364.489 4.165 50 0 FIAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000055099732 571319879 /nfs/dbraw/zinc/31/98/79/571319879.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 1 0 368.496 4.322 50 0 FIAARO COc1ccc(C[NH2+]C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1 ZINC000012659707 571322604 /nfs/dbraw/zinc/32/26/04/571322604.db2.gz TYAVZDOMPJDABU-OTGHWYDRSA-N 1 0 369.505 4.099 50 0 biogenic FIAARO O=C(Nc1ccccc1Cl)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687826 571337917 /nfs/dbraw/zinc/33/79/17/571337917.db2.gz ZQQIWSQXAOQCLI-QGZVFWFLSA-N 1 0 355.869 4.005 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c1 ZINC000002934104 571341943 /nfs/dbraw/zinc/34/19/43/571341943.db2.gz BPJXWMRCGMFPHQ-OAHLLOKOSA-N 1 0 374.579 4.125 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c1 ZINC000003025916 571343605 /nfs/dbraw/zinc/34/36/05/571343605.db2.gz QMABOEAXTGCWFO-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c1 ZINC000003049856 571344139 /nfs/dbraw/zinc/34/41/39/571344139.db2.gz IUVZETYVQGPSHU-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000003060262 571344429 /nfs/dbraw/zinc/34/44/29/571344429.db2.gz WFJYTBJJDPXQEX-ZDUSSCGKSA-N 1 0 369.962 4.240 50 0 FIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000003060162 571344472 /nfs/dbraw/zinc/34/44/72/571344472.db2.gz VYLAQUCKHFPHLT-CYBMUJFWSA-N 1 0 369.962 4.240 50 0 FIAARO CCOC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H]4CCCCC[C@H]43)cc(=O)oc2c1 ZINC000230173308 571344613 /nfs/dbraw/zinc/34/46/13/571344613.db2.gz UNEQKNUDZGYHBA-KBXCAEBGSA-N 1 0 370.449 4.126 50 0 FIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000058163997 571348921 /nfs/dbraw/zinc/34/89/21/571348921.db2.gz CZAMWNDPIXAQRG-VUMMCCRTSA-N 1 0 370.537 4.067 50 0 FIAARO O=C(CCc1c[nH]c2ccccc12)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003459408 571350052 /nfs/dbraw/zinc/35/00/52/571350052.db2.gz WABYTLIJPKVHHG-UHFFFAOYSA-N 1 0 367.537 4.406 50 0 FIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000003588704 571351379 /nfs/dbraw/zinc/35/13/79/571351379.db2.gz DHTDPXYABOTAGJ-UHFFFAOYSA-N 1 0 369.962 4.242 50 0 FIAARO Cc1cc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)ccc1Cl ZINC000003662392 571352130 /nfs/dbraw/zinc/35/21/30/571352130.db2.gz FLNVFMQZDAMJEL-UHFFFAOYSA-N 1 0 367.971 4.471 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000032217645 571356634 /nfs/dbraw/zinc/35/66/34/571356634.db2.gz ZXRBBTAIUFEWHU-JOCHJYFZSA-N 1 0 359.473 4.044 50 0 FIAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1ccc(Cn2cccc2)cc1 ZINC000670465097 571358429 /nfs/dbraw/zinc/35/84/29/571358429.db2.gz FOCMHURUTXZRDX-UHFFFAOYSA-N 1 0 365.521 4.065 50 0 FIAARO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1Cl ZINC000008126493 571359139 /nfs/dbraw/zinc/35/91/39/571359139.db2.gz OSLHJPQJULJIJW-GOSISDBHSA-N 1 0 358.869 4.297 50 0 FIAARO Cc1nnc(-c2cccc(N3CCC([NH2+]Cc4cccs4)CC3)c2)s1 ZINC000023250860 1083572176 /nfs/dbraw/zinc/57/21/76/1083572176.db2.gz ZEBFLMPUCFSUCH-UHFFFAOYSA-N 1 0 370.547 4.334 50 0 FIAARO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(Cl)cc2cccnc21 ZINC000177415872 1083949361 /nfs/dbraw/zinc/94/93/61/1083949361.db2.gz QTQFALVWWIMXBD-UHFFFAOYSA-N 1 0 357.885 4.025 50 0 FIAARO CC[C@@H]([NH2+]Cc1nnc([C@H]2CCCOC2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000888093751 1086754991 /nfs/dbraw/zinc/75/49/91/1086754991.db2.gz QRRHCKAXERXYCP-JKQUEYGFSA-N 1 0 359.514 4.048 50 0 FIAARO CN1CC[NH+](CCCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020118583 1089632310 /nfs/dbraw/zinc/63/23/10/1089632310.db2.gz YMBUVZSWIHAFTL-UHFFFAOYSA-N 1 0 352.522 4.029 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000581813700 1090403971 /nfs/dbraw/zinc/40/39/71/1090403971.db2.gz FTLWRYVTEZRROA-INIZCTEOSA-N 1 0 362.477 4.103 50 0 FIAARO O=C(NC1CC1)c1ccccc1OC[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000169765093 1115681701 /nfs/dbraw/zinc/68/17/01/1115681701.db2.gz NYZAUEARMJSKLE-QGZVFWFLSA-N 1 0 356.510 4.002 50 0 FIAARO COc1ccc(C[C@@H]2CCOC3(CC[NH+](Cc4cccn4C)CC3)C2)cc1 ZINC000169791430 1115684523 /nfs/dbraw/zinc/68/45/23/1115684523.db2.gz NRBCJQGJMLRQKF-FQEVSTJZSA-N 1 0 368.521 4.038 50 0 FIAARO O=C(NCCc1csc2ccccc12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172553773 1115960563 /nfs/dbraw/zinc/96/05/63/1115960563.db2.gz BEZSEBLPNWWPCW-SFHVURJKSA-N 1 0 371.550 4.104 50 0 FIAARO O=C(c1ccc(-c2ccccc2)s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174556534 1116140233 /nfs/dbraw/zinc/14/02/33/1116140233.db2.gz OMDSGUZLVSAFAF-QGZVFWFLSA-N 1 0 354.519 4.363 50 0 FIAARO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC([NH+]4CCCC4)CC3)c2)n1 ZINC000121105381 1122222340 /nfs/dbraw/zinc/22/23/40/1122222340.db2.gz SFQYMYOOWHLYFH-UHFFFAOYSA-N 1 0 368.481 4.051 50 0 FIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1OC ZINC000023280434 209709776 /nfs/dbraw/zinc/70/97/76/209709776.db2.gz WIPUJULKAOKAED-ZDUSSCGKSA-N 1 0 353.384 4.443 50 0 FIAARO CCSc1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000216201407 209649660 /nfs/dbraw/zinc/64/96/60/209649660.db2.gz QLCGCKSAAYSRNQ-SFHVURJKSA-N 1 0 357.523 4.282 50 0 FIAARO CC1(C)CC(NC(=O)c2ccc(SC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000011422863 209558176 /nfs/dbraw/zinc/55/81/76/209558176.db2.gz YRMQVTQEHMCYPA-UHFFFAOYSA-N 1 0 360.445 4.338 50 0 FIAARO CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714047 209473714 /nfs/dbraw/zinc/47/37/14/209473714.db2.gz HVBIJGHVSUPGJF-UHFFFAOYSA-N 1 0 358.482 4.438 50 0 FIAARO CCOc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(C)cc2)cc1 ZINC000001909469 209391200 /nfs/dbraw/zinc/39/12/00/209391200.db2.gz OWTQNOTUBGZRSO-QHCPKHFHSA-N 1 0 365.497 4.044 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 ZINC000048280105 209330956 /nfs/dbraw/zinc/33/09/56/209330956.db2.gz NOAVQULJLIGBIH-IBGZPJMESA-N 1 0 372.900 4.253 50 0 FIAARO CCOC(=O)c1ccc2c(c1)[n+](CC)c(C=CNc1ccccc1)n2CC ZINC000100494433 209214581 /nfs/dbraw/zinc/21/45/81/209214581.db2.gz LNCXUZHUVRPLPZ-UHFFFAOYSA-O 1 0 364.469 4.228 50 0 FIAARO Cc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(O)c(Br)c1 ZINC000097032885 209168887 /nfs/dbraw/zinc/16/88/87/209168887.db2.gz VDUOZGHJLQVMEM-INIZCTEOSA-N 1 0 362.267 4.467 50 0 FIAARO C[C@H]([NH2+]C1(CNCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002561 209166787 /nfs/dbraw/zinc/16/67/87/209166787.db2.gz ZXJCGYDYWHXRHF-LQWHRVPQSA-N 1 0 368.521 4.393 50 0 FIAARO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2F)[C@@H](C)C2CC2)cc1 ZINC000096981757 209165249 /nfs/dbraw/zinc/16/52/49/209165249.db2.gz MWUWQSWAMAJVHE-HNNXBMFYSA-N 1 0 356.441 4.074 50 0 FIAARO Cc1cc2cc(NC(=O)N3CCCN(c4cc[nH+]c(C)c4)CC3)ccc2o1 ZINC000096150208 209124763 /nfs/dbraw/zinc/12/47/63/209124763.db2.gz TZSJNJAAYDWSDZ-UHFFFAOYSA-N 1 0 364.449 4.189 50 0 FIAARO Cc1ccc(C)n1CCCCCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253412413 206790597 /nfs/dbraw/zinc/79/05/97/206790597.db2.gz QYFULPBHTJQLJX-LEWJYISDSA-N 1 0 359.558 4.046 50 0 biogenic FIAARO S=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000003326911 206969429 /nfs/dbraw/zinc/96/94/29/206969429.db2.gz BXVYLZHOTSWAID-INIZCTEOSA-N 1 0 363.914 4.447 50 0 FIAARO CCOC(=O)c1ccc(N2C[C@H]3CCCC[N@@H+]3[C@@H]2c2ccccc2)cc1 ZINC000004299711 207011162 /nfs/dbraw/zinc/01/11/62/207011162.db2.gz IUKCBZVVAUOCOM-RTWAWAEBSA-N 1 0 350.462 4.237 50 0 FIAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccc(C(F)(F)F)cc2)N1O ZINC000004189841 207006205 /nfs/dbraw/zinc/00/62/05/207006205.db2.gz ZUWRNGGZYQADFK-INIZCTEOSA-N 1 0 350.340 4.187 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccccc3F)n2CCOC)cc1 ZINC000004679101 207036614 /nfs/dbraw/zinc/03/66/14/207036614.db2.gz ACLUPWMTGHLEQF-UHFFFAOYSA-N 1 0 369.440 4.346 50 0 FIAARO CCOc1c(Br)cc(C[NH2+]Cc2cccs2)cc1OC ZINC000004670837 207037472 /nfs/dbraw/zinc/03/74/72/207037472.db2.gz RIUFBQZSDOBLBV-UHFFFAOYSA-N 1 0 356.285 4.208 50 0 FIAARO CCCC[NH+](CCCC)CCNC(=O)CSCc1ccc(C)cc1 ZINC000004709079 207041129 /nfs/dbraw/zinc/04/11/29/207041129.db2.gz IMBGNPZSMOHBHO-UHFFFAOYSA-N 1 0 350.572 4.247 50 0 FIAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004725462 207042374 /nfs/dbraw/zinc/04/23/74/207042374.db2.gz OARLUURHZQVIFT-UHFFFAOYSA-N 1 0 372.512 4.411 50 0 FIAARO CC1CC[NH+](C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000004746388 207044594 /nfs/dbraw/zinc/04/45/94/207044594.db2.gz PPZQMCGQAXLKLH-UHFFFAOYSA-N 1 0 351.332 4.145 50 0 FIAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OC ZINC000004868909 207057800 /nfs/dbraw/zinc/05/78/00/207057800.db2.gz UGXBWWNLQIQOMC-UHFFFAOYSA-N 1 0 350.256 4.065 50 0 FIAARO C[C@H](C[NH+]1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000004899236 207059431 /nfs/dbraw/zinc/05/94/31/207059431.db2.gz JNEYXKOAZVGKBG-LJQANCHMSA-N 1 0 351.490 4.410 50 0 FIAARO Cc1cccc2c1-c1sc(C(=O)NCC[NH+]3CCCCCC3)cc1CO2 ZINC000005049958 207075869 /nfs/dbraw/zinc/07/58/69/207075869.db2.gz ZVIUMRZSBBEEGH-UHFFFAOYSA-N 1 0 370.518 4.222 50 0 FIAARO CCOC(=O)c1c(NC(=O)C[NH+](CC)CC)sc(C)c1-c1ccccc1 ZINC000005048049 207076828 /nfs/dbraw/zinc/07/68/28/207076828.db2.gz YWPQXULXYICFMO-UHFFFAOYSA-N 1 0 374.506 4.181 50 0 FIAARO CCOc1ccc2[nH]c3c(ncnc3NCC[NH+](C(C)C)C(C)C)c2c1 ZINC000005253022 207090000 /nfs/dbraw/zinc/09/00/00/207090000.db2.gz WUMDOHTTYWSILT-UHFFFAOYSA-N 1 0 355.486 4.041 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2c(s1)CCCC2 ZINC000005525427 207103962 /nfs/dbraw/zinc/10/39/62/207103962.db2.gz BHGQQHLLQVUZDL-MJGOQNOKSA-N 1 0 366.530 4.383 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccc2)ccc1OC[C@@H](O)c1ccccc1 ZINC000006650901 207151840 /nfs/dbraw/zinc/15/18/40/207151840.db2.gz VBEJDLNCOXHEHT-OAQYLSRUSA-N 1 0 363.457 4.097 50 0 FIAARO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2ccccc12 ZINC000006667552 207152708 /nfs/dbraw/zinc/15/27/08/207152708.db2.gz FTYCJAZCGAYZOC-UHFFFAOYSA-N 1 0 363.457 4.424 50 0 FIAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C)c2C)CC1 ZINC000006877589 207174366 /nfs/dbraw/zinc/17/43/66/207174366.db2.gz MOYWGDIMDWHVHS-UHFFFAOYSA-N 1 0 355.482 4.415 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000008003753 207215844 /nfs/dbraw/zinc/21/58/44/207215844.db2.gz XPZOGBSQVHPWHY-LJQANCHMSA-N 1 0 364.848 4.413 50 0 FIAARO COc1ccc([C@H](CNC(=O)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000008037399 207217914 /nfs/dbraw/zinc/21/79/14/207217914.db2.gz VPTOPCNGQJZLQD-FQEVSTJZSA-N 1 0 372.534 4.033 50 0 FIAARO COc1ccc(-c2csc3ncnc(NCC(C)(C)C[NH+](C)C)c23)cc1 ZINC000008071798 207218866 /nfs/dbraw/zinc/21/88/66/207218866.db2.gz WGNBDOYDNHOCGO-UHFFFAOYSA-N 1 0 370.522 4.367 50 0 FIAARO C[C@H]1Oc2c(cccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1C ZINC000008389195 207232434 /nfs/dbraw/zinc/23/24/34/207232434.db2.gz RPJZVWPRBTXCKE-IAGOWNOFSA-N 1 0 364.489 4.097 50 0 FIAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613213 207239404 /nfs/dbraw/zinc/23/94/04/207239404.db2.gz QCADTYNGMGXWKQ-FQEVSTJZSA-N 1 0 358.526 4.345 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 ZINC000010282862 207298282 /nfs/dbraw/zinc/29/82/82/207298282.db2.gz OMZYQDWKXGLRTC-UHFFFAOYSA-N 1 0 368.506 4.460 50 0 FIAARO COc1ccc(C)cc1CN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009918837 207289862 /nfs/dbraw/zinc/28/98/62/207289862.db2.gz BMFGTCISGJEIJV-UHFFFAOYSA-N 1 0 366.505 4.262 50 0 FIAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(F)c1 ZINC000010140017 207295982 /nfs/dbraw/zinc/29/59/82/207295982.db2.gz XACZQGBKMBYEIS-UHFFFAOYSA-N 1 0 351.425 4.125 50 0 FIAARO CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1cccc2cccnc21 ZINC000011291121 207311289 /nfs/dbraw/zinc/31/12/89/207311289.db2.gz MQEYSEJWQVDPCH-UHFFFAOYSA-N 1 0 367.880 4.027 50 0 FIAARO CC(C)(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011753500 207320041 /nfs/dbraw/zinc/32/00/41/207320041.db2.gz JXGLISUYLCTRSX-SFHVURJKSA-N 1 0 353.466 4.323 50 0 FIAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000011754228 207320774 /nfs/dbraw/zinc/32/07/74/207320774.db2.gz FBHPEGDWTNEKNZ-QGZVFWFLSA-N 1 0 358.482 4.276 50 0 FIAARO CC(C)c1nc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000011769362 207321915 /nfs/dbraw/zinc/32/19/15/207321915.db2.gz YMTLZQXYMQGVCX-GOSISDBHSA-N 1 0 371.550 4.046 50 0 FIAARO CC(C)c1nc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000011769369 207322327 /nfs/dbraw/zinc/32/23/27/207322327.db2.gz YMTLZQXYMQGVCX-SFHVURJKSA-N 1 0 371.550 4.046 50 0 FIAARO O=C(NCc1ccc(OC(F)F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000011515373 207313696 /nfs/dbraw/zinc/31/36/96/207313696.db2.gz KMZBYDUOZCOCSL-UHFFFAOYSA-N 1 0 374.431 4.204 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000011915579 207329925 /nfs/dbraw/zinc/32/99/25/207329925.db2.gz LNEWDIHYJHALCO-NRFANRHFSA-N 1 0 370.468 4.181 50 0 biogenic FIAARO Cc1nn(C)c(C)c1C[N@H+](Cc1c[nH]nc1-c1ccc(C)c(C)c1)C1CC1 ZINC000011935349 207331891 /nfs/dbraw/zinc/33/18/91/207331891.db2.gz HLYPHCYWUJLIBT-UHFFFAOYSA-N 1 0 363.509 4.208 50 0 FIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012191959 207346215 /nfs/dbraw/zinc/34/62/15/207346215.db2.gz RCKMWAFUPTZJFC-SFHVURJKSA-N 1 0 354.469 4.085 50 0 FIAARO Cc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)cc1C ZINC000012191667 207346965 /nfs/dbraw/zinc/34/69/65/207346965.db2.gz WHARJUIFSFEMSN-DEOSSOPVSA-N 1 0 374.484 4.175 50 0 FIAARO CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012072489 207335510 /nfs/dbraw/zinc/33/55/10/207335510.db2.gz SKTJGKVAJPUKQB-GOSISDBHSA-N 1 0 374.887 4.258 50 0 FIAARO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012299458 207355335 /nfs/dbraw/zinc/35/53/35/207355335.db2.gz FJCDIKOFTFWGSA-HSZRJFAPSA-N 1 0 366.480 4.149 50 0 FIAARO COc1ccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc1C ZINC000012298462 207356739 /nfs/dbraw/zinc/35/67/39/207356739.db2.gz KBDLPLZVGYYSBR-UHFFFAOYSA-N 1 0 369.505 4.047 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000012382493 207367601 /nfs/dbraw/zinc/36/76/01/207367601.db2.gz RQBPILYFADHMKC-UHFFFAOYSA-N 1 0 350.506 4.198 50 0 FIAARO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012436320 207377143 /nfs/dbraw/zinc/37/71/43/207377143.db2.gz DHTJEFXPUKPRNW-LJQANCHMSA-N 1 0 361.445 4.192 50 0 FIAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)o1 ZINC000012438484 207377301 /nfs/dbraw/zinc/37/73/01/207377301.db2.gz RBXOCHJFWIIRCE-QHCPKHFHSA-N 1 0 366.505 4.333 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@H](O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012576742 207395527 /nfs/dbraw/zinc/39/55/27/207395527.db2.gz PMQKYRIYYABJCW-NRFANRHFSA-N 1 0 353.510 4.092 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000014199592 207510626 /nfs/dbraw/zinc/51/06/26/207510626.db2.gz CVXXQJVURNPOJK-UHFFFAOYSA-N 1 0 358.485 4.274 50 0 FIAARO Cc1cccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1C ZINC000021170898 207767321 /nfs/dbraw/zinc/76/73/21/207767321.db2.gz MXGRPAPUIFQKMH-OAQYLSRUSA-N 1 0 372.553 4.329 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027664235 207938146 /nfs/dbraw/zinc/93/81/46/207938146.db2.gz JWYPEDQKMDTUFP-LJQANCHMSA-N 1 0 372.534 4.494 50 0 FIAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000030908856 208008417 /nfs/dbraw/zinc/00/84/17/208008417.db2.gz YDAIRDCLMAMNNQ-NRFANRHFSA-N 1 0 365.452 4.305 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000032622645 208033808 /nfs/dbraw/zinc/03/38/08/208033808.db2.gz KACMJHUOLITEFX-QGZVFWFLSA-N 1 0 369.490 4.216 50 0 FIAARO Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2c1 ZINC000032762796 208040493 /nfs/dbraw/zinc/04/04/93/208040493.db2.gz SQDUCOXAOMYZQA-GOSISDBHSA-N 1 0 353.491 4.105 50 0 FIAARO CCOc1ccc2oc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)c(C)c2c1 ZINC000032781256 208042399 /nfs/dbraw/zinc/04/23/99/208042399.db2.gz NVBJTASWRPVTJU-LJQANCHMSA-N 1 0 366.461 4.173 50 0 FIAARO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018784 208066984 /nfs/dbraw/zinc/06/69/84/208066984.db2.gz XQOXXENBLNSWQY-UHFFFAOYSA-N 1 0 369.436 4.198 50 0 FIAARO CCC[N@@H+]1CCc2nc(SCc3c(F)cccc3Cl)[nH]c(=O)c2C1 ZINC000033287220 208081102 /nfs/dbraw/zinc/08/11/02/208081102.db2.gz VJYHBPPXSMGGLS-UHFFFAOYSA-N 1 0 367.877 4.035 50 0 FIAARO CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034683080 208104752 /nfs/dbraw/zinc/10/47/52/208104752.db2.gz HRILPHXZBLWSIM-UHFFFAOYSA-N 1 0 351.494 4.052 50 0 FIAARO C[NH+]1CCC(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)CC1 ZINC000036611119 208166659 /nfs/dbraw/zinc/16/66/59/208166659.db2.gz WDXOAIWVSRFNEP-UHFFFAOYSA-N 1 0 374.484 4.243 50 0 FIAARO O=C(NCC[NH+]1CCCCC1)c1cncc(-c2csc3ccccc23)c1 ZINC000036349354 208154616 /nfs/dbraw/zinc/15/46/16/208154616.db2.gz NVAUEQGCEMVOGV-UHFFFAOYSA-N 1 0 365.502 4.179 50 0 FIAARO COc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(F)cc2)cc2occc21 ZINC000072259204 208185893 /nfs/dbraw/zinc/18/58/93/208185893.db2.gz QOSSCLHFSXLUCW-SFHVURJKSA-N 1 0 370.424 4.003 50 0 FIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccc(F)cc1Cl ZINC000077103985 208195750 /nfs/dbraw/zinc/19/57/50/208195750.db2.gz LSLJLUJRRLNSOS-UHFFFAOYSA-N 1 0 366.889 4.150 50 0 FIAARO c1ccc(COc2cc(OCc3ccccc3)cc([C@H]3C[NH2+]CCN3)c2)cc1 ZINC000039934045 208213822 /nfs/dbraw/zinc/21/38/22/208213822.db2.gz PTOZVTYHZYBFAI-XMMPIXPASA-N 1 0 374.484 4.079 50 0 FIAARO CC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000040414769 208253381 /nfs/dbraw/zinc/25/33/81/208253381.db2.gz XBSLAUITEYNHOE-UHFFFAOYSA-N 1 0 354.469 4.460 50 0 FIAARO Brc1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042772167 208295229 /nfs/dbraw/zinc/29/52/29/208295229.db2.gz HWYVIOVDMNSLNM-NSHDSACASA-N 1 0 363.093 4.123 50 0 FIAARO Brc1cc(Cc2ccccc2)ccc1OCC1CC[NH2+]CC1 ZINC000042774423 208295865 /nfs/dbraw/zinc/29/58/65/208295865.db2.gz KOKFNFYNZGCTOV-UHFFFAOYSA-N 1 0 360.295 4.418 50 0 FIAARO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)n1 ZINC000013594628 208299059 /nfs/dbraw/zinc/29/90/59/208299059.db2.gz UXZUQLSTYMLDCP-LJQANCHMSA-N 1 0 352.478 4.272 50 0 FIAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044909263 208321219 /nfs/dbraw/zinc/32/12/19/208321219.db2.gz OMECPGLRODMWPS-UHFFFAOYSA-N 1 0 370.924 4.301 50 0 FIAARO COc1cccc(-c2c(-c3ccccc3)ncn2C2CC[NH2+]CC2)c1F ZINC000065405596 208675271 /nfs/dbraw/zinc/67/52/71/208675271.db2.gz YQGNDOCVVXPZOX-UHFFFAOYSA-N 1 0 351.425 4.289 50 0 FIAARO O=C(c1ccccc1)N1CCC([NH2+]Cc2ccc3sccc3c2)CC1 ZINC000065393716 208671002 /nfs/dbraw/zinc/67/10/02/208671002.db2.gz HUQMQTDBKVDHMM-UHFFFAOYSA-N 1 0 350.487 4.296 50 0 FIAARO Cc1nc(C(C)C)sc1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000091915452 209006400 /nfs/dbraw/zinc/00/64/00/209006400.db2.gz UHYXSEXMUNCJEN-GOSISDBHSA-N 1 0 371.550 4.169 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000095986094 209093280 /nfs/dbraw/zinc/09/32/80/209093280.db2.gz UQVOMRMVIYDFTC-BHDDXSALSA-N 1 0 370.537 4.451 50 0 FIAARO CSc1cccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000095352827 209023447 /nfs/dbraw/zinc/02/34/47/209023447.db2.gz HXOJZPNSHRIMSR-HXUWFJFHSA-N 1 0 366.530 4.047 50 0 FIAARO Cc1cccnc1C[NH2+]C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095360370 209027382 /nfs/dbraw/zinc/02/73/82/209027382.db2.gz GNFHKPDDMUPGSC-UHFFFAOYSA-N 1 0 372.925 4.412 50 0 FIAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCC2(CCc3ccccc32)CC1 ZINC000095373180 209035350 /nfs/dbraw/zinc/03/53/50/209035350.db2.gz JCWOGWGVNYEARI-JOCHJYFZSA-N 1 0 374.528 4.274 50 0 FIAARO CC(=O)c1cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000095390909 209048090 /nfs/dbraw/zinc/04/80/90/209048090.db2.gz RJJHGEWRZCHYSB-AZUAARDMSA-N 1 0 354.519 4.047 50 0 FIAARO CCOC(=O)N1CCC([N@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000095457127 209053201 /nfs/dbraw/zinc/05/32/01/209053201.db2.gz WSVFEFZCVUBJEG-CABCVRRESA-N 1 0 352.906 4.385 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000095466639 209056035 /nfs/dbraw/zinc/05/60/35/209056035.db2.gz NBOWIQICNHVCPE-SFHVURJKSA-N 1 0 372.896 4.206 50 0 FIAARO Cc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)CC[NH+]2CCCCC2)cc1 ZINC000095946153 209088118 /nfs/dbraw/zinc/08/81/18/209088118.db2.gz XSMZNENDRWVSND-FQEVSTJZSA-N 1 0 365.477 4.142 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccc2ccccc21 ZINC000057286285 221086443 /nfs/dbraw/zinc/08/64/43/221086443.db2.gz LXZKBVFFPHEXOC-INIZCTEOSA-N 1 0 362.477 4.441 50 0 FIAARO CO[C@@H](C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)c1ccccc1 ZINC000070015738 221330398 /nfs/dbraw/zinc/33/03/98/221330398.db2.gz BITOLRRNXCVENX-FQEVSTJZSA-N 1 0 369.896 4.371 50 0 FIAARO CCCCc1noc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000070038883 221331429 /nfs/dbraw/zinc/33/14/29/221331429.db2.gz YCNPNNCYPGNXTO-VQTJNVASSA-N 1 0 368.525 4.041 50 0 FIAARO c1cn(Cc2ccncc2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000091906415 132204608 /nfs/dbraw/zinc/20/46/08/132204608.db2.gz AXIVXLFABCTZKX-IBGZPJMESA-N 1 0 369.472 4.259 50 0 FIAARO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]cc3)C2=O)cc1C ZINC000006826581 132258769 /nfs/dbraw/zinc/25/87/69/132258769.db2.gz OPHJAMWKYMSGEX-KGENOOAVSA-N 1 0 369.424 4.338 50 0 FIAARO Cc1cc(N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)cc[nH+]1 ZINC000220577114 132276151 /nfs/dbraw/zinc/27/61/51/132276151.db2.gz XSACMPGKEZZOIN-UHFFFAOYSA-N 1 0 357.457 4.019 50 0 FIAARO C[C@@H]1C[C@@H](C)CN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)C1 ZINC000001130481 132380335 /nfs/dbraw/zinc/38/03/35/132380335.db2.gz ZPPPJFXHLVGGCO-ZIAGYGMSSA-N 1 0 355.873 4.010 50 0 FIAARO CC(=O)[C@H]1Sc2ccccc2N(CCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000002006351 132382514 /nfs/dbraw/zinc/38/25/14/132382514.db2.gz KJKUTCSZMKBGKI-NHCUHLMSSA-N 1 0 354.519 4.249 50 0 FIAARO CCC[NH+]1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1 ZINC000003356689 132385127 /nfs/dbraw/zinc/38/51/27/132385127.db2.gz SVBPONYMMUDYMS-UHFFFAOYSA-N 1 0 356.470 4.029 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000004981201 132825780 /nfs/dbraw/zinc/82/57/80/132825780.db2.gz IKURHECQADGVGT-LJQANCHMSA-N 1 0 352.522 4.455 50 0 FIAARO Clc1ccc(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn2)cc1 ZINC000055102118 136126017 /nfs/dbraw/zinc/12/60/17/136126017.db2.gz HYAHBHWQIBFFBX-UHFFFAOYSA-N 1 0 364.880 4.119 50 0 FIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000095525888 209075695 /nfs/dbraw/zinc/07/56/95/209075695.db2.gz XKHSAYFRPALMQQ-HNNXBMFYSA-N 1 0 361.486 4.222 50 0 FIAARO CC(C)[N@@H+]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc2ccccc2n1 ZINC000426415698 263582908 /nfs/dbraw/zinc/58/29/08/263582908.db2.gz XLQAPIJKRCRFNY-HXUWFJFHSA-N 1 0 368.525 4.029 50 0 FIAARO CC(C)n1cc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079193216 519947055 /nfs/dbraw/zinc/94/70/55/519947055.db2.gz NZHDYSSAFQYVBW-GHTZIAJQSA-N 1 0 367.537 4.145 50 0 biogenic FIAARO COc1cc(C[NH+]2CCC(c3nccn3CC3CCC3)CC2)cc(OC)c1 ZINC000091650277 522368349 /nfs/dbraw/zinc/36/83/49/522368349.db2.gz HQZZBEQSUJXYIO-UHFFFAOYSA-N 1 0 369.509 4.080 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000020889787 524101910 /nfs/dbraw/zinc/10/19/10/524101910.db2.gz ZMJAUFPDQJZUPY-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000019840955 526143597 /nfs/dbraw/zinc/14/35/97/526143597.db2.gz QVVNKSGITPAFJF-AWEZNQCLSA-N 1 0 365.502 4.180 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(C)nc2ccccc21 ZINC000240668095 526213389 /nfs/dbraw/zinc/21/33/89/526213389.db2.gz HMHZPHBUUCAOQR-NFBKMPQASA-N 1 0 371.484 4.300 50 0 FIAARO Fc1ccc(-c2csc3ncnc(N4CC[N@@H+]5CCCC[C@H]5C4)c23)cc1 ZINC000239366979 526315654 /nfs/dbraw/zinc/31/56/54/526315654.db2.gz AHCWRVJCYXMWDS-INIZCTEOSA-N 1 0 368.481 4.172 50 0 FIAARO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156219112 526574144 /nfs/dbraw/zinc/57/41/44/526574144.db2.gz DLEYOCOXFFZJIR-KOLCDFICSA-N 1 0 369.943 4.033 50 0 FIAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000019789884 526750267 /nfs/dbraw/zinc/75/02/67/526750267.db2.gz SPJGISMCBUWCBS-KRWDZBQOSA-N 1 0 356.495 4.353 50 0 FIAARO COc1cccc2c1OCCCN(Cc1ccc([C@H]3CCCO3)s1)C2 ZINC000215427278 568069857 /nfs/dbraw/zinc/06/98/57/568069857.db2.gz MLTSFXSIUHANQK-QGZVFWFLSA-N 1 0 359.491 4.393 50 0 FIAARO CCCn1ccnc1CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000215572150 568077544 /nfs/dbraw/zinc/07/75/44/568077544.db2.gz HLEHGTSNGJOKGH-HSZRJFAPSA-N 1 0 366.553 4.171 50 0 FIAARO Cc1nc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(C)s1 ZINC000215724883 568085623 /nfs/dbraw/zinc/08/56/23/568085623.db2.gz RTBMLBCARYOHCJ-LJQANCHMSA-N 1 0 371.550 4.271 50 0 FIAARO COCCN(Cc1c(C)nn(C)c1C)Cc1ccc(-c2ccc(C)o2)cc1 ZINC000215794610 568089198 /nfs/dbraw/zinc/08/91/98/568089198.db2.gz SQPYVPXDERVBCI-UHFFFAOYSA-N 1 0 367.493 4.254 50 0 FIAARO C[C@@H](c1ccc(-c2ccc(CN3CCOCC3)cn2)cc1)[NH+]1CCCCC1 ZINC000216038048 568102107 /nfs/dbraw/zinc/10/21/07/568102107.db2.gz PFIIMDQLIDYCNA-IBGZPJMESA-N 1 0 365.521 4.128 50 0 FIAARO CC1CCN(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000000819260 568297077 /nfs/dbraw/zinc/29/70/77/568297077.db2.gz LHDLBAAYPWBLIM-UHFFFAOYSA-N 1 0 369.336 4.464 50 0 FIAARO CN(C)[C@H](C[NH2+]Cc1c(OC(F)F)ccc2ccccc21)c1ccco1 ZINC000022787493 568309043 /nfs/dbraw/zinc/30/90/43/568309043.db2.gz JDFOMXARAYZZTJ-QGZVFWFLSA-N 1 0 360.404 4.427 50 0 FIAARO Cc1ccc2[nH]c([C@H](NC(=O)C3([NH+]4CCCC4)CCCC3)C(C)C)nc2c1 ZINC000220228329 568329997 /nfs/dbraw/zinc/32/99/97/568329997.db2.gz DNSDDBNAZDAUME-LJQANCHMSA-N 1 0 368.525 4.093 50 0 FIAARO CSc1ccccc1C(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000221321432 568397819 /nfs/dbraw/zinc/39/78/19/568397819.db2.gz VSMCUOPAWXVEPA-IBGZPJMESA-N 1 0 354.519 4.447 50 0 FIAARO O=C(c1cccs1)[C@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000222300815 568513031 /nfs/dbraw/zinc/51/30/31/568513031.db2.gz ZMXLALBAGMHJNZ-IBGZPJMESA-N 1 0 365.502 4.088 50 0 FIAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC000091768798 570437780 /nfs/dbraw/zinc/43/77/80/570437780.db2.gz WKUOIMUPTJYXNQ-PKOBYXMFSA-N 1 0 364.489 4.129 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Cc1ccc(Cl)cc1 ZINC000000672808 570446663 /nfs/dbraw/zinc/44/66/63/570446663.db2.gz WBQWVPDUTMEBJJ-ICSRJNTNSA-N 1 0 354.881 4.025 50 0 FIAARO C[C@H]1CCC[C@H]([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C1 ZINC000000757893 570455312 /nfs/dbraw/zinc/45/53/12/570455312.db2.gz LXLXQWAPLMGBSB-YOEHRIQHSA-N 1 0 352.316 4.311 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4nc3n2CCC[NH+]2CCCC2)cc1 ZINC000001305166 570496940 /nfs/dbraw/zinc/49/69/40/570496940.db2.gz SIZWTOKQGYBCEV-UHFFFAOYSA-N 1 0 374.488 4.451 50 0 FIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000001792271 570507938 /nfs/dbraw/zinc/50/79/38/570507938.db2.gz XSADXHDMXBCFGP-UHFFFAOYSA-N 1 0 374.868 4.091 50 0 FIAARO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930100 570526385 /nfs/dbraw/zinc/52/63/85/570526385.db2.gz PMVUKWUXUVWXEP-BJKOFHAPSA-N 1 0 358.485 4.192 50 0 FIAARO CCCC[NH2+]CCOCCOc1c(Cl)cc(C)cc1Br ZINC000003460712 570565178 /nfs/dbraw/zinc/56/51/78/570565178.db2.gz AADSIHHNLGCCMU-UHFFFAOYSA-N 1 0 364.711 4.196 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 ZINC000004739330 570603983 /nfs/dbraw/zinc/60/39/83/570603983.db2.gz AQVXKBKOAJDVDU-UHFFFAOYSA-N 1 0 357.885 4.043 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004981163 570615609 /nfs/dbraw/zinc/61/56/09/570615609.db2.gz CZWXGPLPLDRFPU-HXUWFJFHSA-N 1 0 352.522 4.455 50 0 FIAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981313 570615783 /nfs/dbraw/zinc/61/57/83/570615783.db2.gz ABENVCWWRWVMAW-HXUWFJFHSA-N 1 0 360.423 4.385 50 0 FIAARO O=C(NCc1cccs1)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022679620 570673348 /nfs/dbraw/zinc/67/33/48/570673348.db2.gz OMTKGQXDEBXTJR-KRWDZBQOSA-N 1 0 363.552 4.226 50 0 FIAARO C[N@@H+]1CCC[C@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000062647459 570684693 /nfs/dbraw/zinc/68/46/93/570684693.db2.gz DUYYCHVSCIUKRF-VQTJNVASSA-N 1 0 371.912 4.017 50 0 FIAARO Fc1ccc2ncnc(NCc3ccccc3C[NH+]3CCCCC3)c2c1 ZINC000097497498 570690032 /nfs/dbraw/zinc/69/00/32/570690032.db2.gz NTCZYQKTXQKKCP-UHFFFAOYSA-N 1 0 350.441 4.367 50 0 FIAARO COc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC ZINC000017317289 570749554 /nfs/dbraw/zinc/74/95/54/570749554.db2.gz CRKFBMLYCVMKHL-OAHLLOKOSA-N 1 0 355.478 4.442 50 0 FIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012584263 570751912 /nfs/dbraw/zinc/75/19/12/570751912.db2.gz GSRIIPQUHBUHIT-OAQYLSRUSA-N 1 0 359.897 4.253 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH2+]C3CCOCC3)c(-c3ccccc3)n2)c1 ZINC000012759813 570759941 /nfs/dbraw/zinc/75/99/41/570759941.db2.gz SYOQVXXFQSRFSH-UHFFFAOYSA-N 1 0 361.489 4.425 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000012790746 570761973 /nfs/dbraw/zinc/76/19/73/570761973.db2.gz PEBCEIHEZONPKO-UHFFFAOYSA-N 1 0 363.461 4.113 50 0 FIAARO Cc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+](C)C)coc2c1C ZINC000012986719 570770799 /nfs/dbraw/zinc/77/07/99/570770799.db2.gz LQGYNCJCLJMQSS-QGZVFWFLSA-N 1 0 356.491 4.073 50 0 FIAARO O=C1C2=C(CCCC2)[C@H]([NH2+]Cc2cccs2)N1Cc1ccc(F)cc1 ZINC000013899324 570795816 /nfs/dbraw/zinc/79/58/16/570795816.db2.gz NLIZEKWOPKLVDC-LJQANCHMSA-N 1 0 356.466 4.216 50 0 FIAARO C[C@H]([NH2+][C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc21 ZINC000014157442 570809022 /nfs/dbraw/zinc/80/90/22/570809022.db2.gz CZDZLNZAPGIGON-FDDCHVKYSA-N 1 0 374.484 4.091 50 0 FIAARO CC[N@H+](CCCSC)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014975389 570827944 /nfs/dbraw/zinc/82/79/44/570827944.db2.gz PXEJZEOULCMKPH-IBGZPJMESA-N 1 0 352.563 4.155 50 0 FIAARO C[NH+](C)CCCN(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 ZINC000004585323 570851999 /nfs/dbraw/zinc/85/19/99/570851999.db2.gz CEIQDGGVIWXZKW-BUHFOSPRSA-N 1 0 365.502 4.294 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccccc3F)sc2cc1C ZINC000004586163 570853309 /nfs/dbraw/zinc/85/33/09/570853309.db2.gz YLNAZFHVYLNWEQ-UHFFFAOYSA-N 1 0 371.481 4.261 50 0 FIAARO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000016342880 570854679 /nfs/dbraw/zinc/85/46/79/570854679.db2.gz GWEFQZUJNFAPTJ-KRWDZBQOSA-N 1 0 362.926 4.369 50 0 FIAARO Cc1ccccc1NC(=S)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000104797738 570862922 /nfs/dbraw/zinc/86/29/22/570862922.db2.gz UJFOSNOWWDWPIN-QZTJIDSGSA-N 1 0 353.535 4.365 50 0 FIAARO CC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982832 570865761 /nfs/dbraw/zinc/86/57/61/570865761.db2.gz ZCCVGEGPKZRHNQ-VQTJNVASSA-N 1 0 372.896 4.106 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000071933059 570874793 /nfs/dbraw/zinc/87/47/93/570874793.db2.gz FSCXHPNRBFYYQZ-AWEZNQCLSA-N 1 0 358.486 4.121 50 0 FIAARO CC1(C)C[C@@H](C[N@@H+]2CCc3[nH]nc(C=Cc4ccccc4)c3C2)CCO1 ZINC000019145476 570881221 /nfs/dbraw/zinc/88/12/21/570881221.db2.gz WZYBOSYWJRBNMO-BLGFXRMMSA-N 1 0 351.494 4.143 50 0 FIAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019939848 570907659 /nfs/dbraw/zinc/90/76/59/570907659.db2.gz ZZRXFEWOOBAJGW-QGZVFWFLSA-N 1 0 367.472 4.238 50 0 FIAARO Clc1cccc(N2CCN([C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020234396 570914064 /nfs/dbraw/zinc/91/40/64/570914064.db2.gz LSJWVBNTGHURKK-QFIPXVFZSA-N 1 0 369.940 4.127 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc(OC)c1 ZINC000020999635 570927693 /nfs/dbraw/zinc/92/76/93/570927693.db2.gz RBJWZOQLXZYUSU-QGZVFWFLSA-N 1 0 357.498 4.005 50 0 FIAARO CCc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021148732 570928428 /nfs/dbraw/zinc/92/84/28/570928428.db2.gz WQDNONMPDTWXGE-OAQYLSRUSA-N 1 0 372.553 4.275 50 0 FIAARO Cc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000021663500 570932354 /nfs/dbraw/zinc/93/23/54/570932354.db2.gz DKRPQQIPZSMNKF-UHFFFAOYSA-N 1 0 355.507 4.220 50 0 FIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021720785 570933980 /nfs/dbraw/zinc/93/39/80/570933980.db2.gz IFWXNYGOIVWJPK-QGZVFWFLSA-N 1 0 354.429 4.412 50 0 FIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021720783 570934054 /nfs/dbraw/zinc/93/40/54/570934054.db2.gz IFWXNYGOIVWJPK-KRWDZBQOSA-N 1 0 354.429 4.412 50 0 FIAARO CC(C)c1ccccc1NC(=O)C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000022038321 570937801 /nfs/dbraw/zinc/93/78/01/570937801.db2.gz MFQMWSOJCNDQOP-FQEVSTJZSA-N 1 0 369.509 4.158 50 0 FIAARO FC(F)(F)c1ccccc1[C@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000022115511 570939633 /nfs/dbraw/zinc/93/96/33/570939633.db2.gz VADSPJCOYHVKIX-KRWDZBQOSA-N 1 0 354.803 4.353 50 0 FIAARO O=C(CCSc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022407115 570943461 /nfs/dbraw/zinc/94/34/61/570943461.db2.gz DSWILEAEKFHVCV-UHFFFAOYSA-N 1 0 372.509 4.089 50 0 FIAARO CC[C@@H](C)C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000022627554 570948325 /nfs/dbraw/zinc/94/83/25/570948325.db2.gz BFNVAXLDIFJUTJ-GOSISDBHSA-N 1 0 362.517 4.065 50 0 FIAARO CC(C)/C=C/C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022851594 570951047 /nfs/dbraw/zinc/95/10/47/570951047.db2.gz YLIOUZRUKBDZNO-LWQICCLCSA-N 1 0 361.961 4.139 50 0 FIAARO Cc1[nH]c2ccccc2c1C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000022930561 570953235 /nfs/dbraw/zinc/95/32/35/570953235.db2.gz KBROWTGGPFVGNY-MBSDFSHPSA-N 1 0 363.505 4.028 50 0 FIAARO C[NH+]1CCC(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000023187970 570958777 /nfs/dbraw/zinc/95/87/77/570958777.db2.gz FNMVYSGAKYHVTM-UHFFFAOYSA-N 1 0 353.249 4.077 50 0 FIAARO C[N@H+](C[C@H](O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 ZINC000023387582 570962730 /nfs/dbraw/zinc/96/27/30/570962730.db2.gz UCTNILSPEZTADP-FQEVSTJZSA-N 1 0 365.448 4.287 50 0 FIAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1C1CCCC1 ZINC000023398693 570963360 /nfs/dbraw/zinc/96/33/60/570963360.db2.gz LCEMDQPUDMLQKX-QGZVFWFLSA-N 1 0 354.416 4.119 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1 ZINC000024668255 570979589 /nfs/dbraw/zinc/97/95/89/570979589.db2.gz ZNOCGZQNPSSOAI-OAHLLOKOSA-N 1 0 367.424 4.175 50 0 FIAARO C[NH+](C)[C@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000025436626 570996017 /nfs/dbraw/zinc/99/60/17/570996017.db2.gz LWSHQZLLZFPGNF-CYBMUJFWSA-N 1 0 373.469 4.356 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604133 571016014 /nfs/dbraw/zinc/01/60/14/571016014.db2.gz YXQCQKILRCHKQQ-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027749583 571020586 /nfs/dbraw/zinc/02/05/86/571020586.db2.gz ONAOQTQZSDQEFK-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(OC)cc1)c1ccccc1Cl ZINC000027794418 571021695 /nfs/dbraw/zinc/02/16/95/571021695.db2.gz KJXIUBZOMATXLF-FQEVSTJZSA-N 1 0 374.912 4.090 50 0 biogenic FIAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1 ZINC000028289331 571029682 /nfs/dbraw/zinc/02/96/82/571029682.db2.gz OELLICYZFWPEPU-OAQYLSRUSA-N 1 0 368.521 4.090 50 0 FIAARO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000028293154 571030754 /nfs/dbraw/zinc/03/07/54/571030754.db2.gz OWAOCMKRHUSADE-JOCHJYFZSA-N 1 0 366.505 4.142 50 0 FIAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2c(C)nn(C(C)C)c2C)C1 ZINC000072277763 571033739 /nfs/dbraw/zinc/03/37/39/571033739.db2.gz PENRFRCKWYTOQB-KRWDZBQOSA-N 1 0 363.550 4.103 50 0 FIAARO CC(=O)Nc1ccc2c(C[NH2+][C@H](c3ccccc3)C(C)C)cc(=O)oc2c1 ZINC000029189381 571037214 /nfs/dbraw/zinc/03/72/14/571037214.db2.gz SZKFXBAZICPVTP-QFIPXVFZSA-N 1 0 364.445 4.238 50 0 FIAARO CCCOc1cccc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000225535086 571043546 /nfs/dbraw/zinc/04/35/46/571043546.db2.gz UZXWNDZNUQZKHW-HXUWFJFHSA-N 1 0 374.550 4.042 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1F ZINC000012689315 571043766 /nfs/dbraw/zinc/04/37/66/571043766.db2.gz IMWXXFCJFDALSZ-QFBILLFUSA-N 1 0 358.844 4.236 50 0 FIAARO Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)c1 ZINC000001299051 571048377 /nfs/dbraw/zinc/04/83/77/571048377.db2.gz KBXLRLYDJOUBFG-OAQYLSRUSA-N 1 0 361.489 4.269 50 0 FIAARO CCC[C@@H](C)[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000225606159 571048873 /nfs/dbraw/zinc/04/88/73/571048873.db2.gz JRZIQHCKXOERRQ-MRXNPFEDSA-N 1 0 358.507 4.300 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004124927 571049382 /nfs/dbraw/zinc/04/93/82/571049382.db2.gz SLKUAWZKJGNYQT-GOSISDBHSA-N 1 0 366.490 4.047 50 0 FIAARO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000053019113 571056206 /nfs/dbraw/zinc/05/62/06/571056206.db2.gz JKQSWCAXPRURMX-UHFFFAOYSA-N 1 0 362.832 4.035 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)cc1OC ZINC000229697671 571094982 /nfs/dbraw/zinc/09/49/82/571094982.db2.gz DVNWMZUTUPZTAB-QZTJIDSGSA-N 1 0 361.869 4.228 50 0 FIAARO CC1(C)CCc2cc(C[NH2+]CCc3nnc(-c4ccccc4)o3)ccc2O1 ZINC000084673599 571095820 /nfs/dbraw/zinc/09/58/20/571095820.db2.gz PHFDDIXISJEUHE-UHFFFAOYSA-N 1 0 363.461 4.173 50 0 FIAARO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000060320516 571101149 /nfs/dbraw/zinc/10/11/49/571101149.db2.gz YBAFYLMDQGTHKY-UHFFFAOYSA-N 1 0 372.431 4.442 50 0 FIAARO O=C(CSc1ccc(F)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000033023414 571106915 /nfs/dbraw/zinc/10/69/15/571106915.db2.gz JUFXBQUIPIIBEC-UHFFFAOYSA-N 1 0 364.530 4.223 50 0 FIAARO Cc1csc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1Cl ZINC000240465819 571108902 /nfs/dbraw/zinc/10/89/02/571108902.db2.gz GALMRMONAPBBBL-UHFFFAOYSA-N 1 0 366.889 4.243 50 0 FIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(N2CCc3ccccc32)s1 ZINC000015732270 571111751 /nfs/dbraw/zinc/11/17/51/571111751.db2.gz MTJFSYNNUMYIHB-UHFFFAOYSA-N 1 0 369.534 4.048 50 0 FIAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055061146 571115613 /nfs/dbraw/zinc/11/56/13/571115613.db2.gz WHQGXKMGRCKYSD-LJQANCHMSA-N 1 0 369.436 4.014 50 0 FIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)cc1 ZINC000055054713 571115668 /nfs/dbraw/zinc/11/56/68/571115668.db2.gz VMPWQZNBOJLOPE-HXUWFJFHSA-N 1 0 352.478 4.244 50 0 FIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccs2)CC1 ZINC000055060581 571115832 /nfs/dbraw/zinc/11/58/32/571115832.db2.gz PRHAGQIVBZRUBO-UHFFFAOYSA-N 1 0 373.518 4.363 50 0 FIAARO Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000015772700 571119435 /nfs/dbraw/zinc/11/94/35/571119435.db2.gz HKKYAUILZDZIOW-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO O=C(NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 ZINC000057986629 571123353 /nfs/dbraw/zinc/12/33/53/571123353.db2.gz UJMYDXIXYMUQJD-NRFANRHFSA-N 1 0 352.453 4.098 50 0 FIAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1C ZINC000010214279 571123592 /nfs/dbraw/zinc/12/35/92/571123592.db2.gz LTDNHEONAPFICU-OAQYLSRUSA-N 1 0 361.489 4.269 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc(Br)c1O ZINC000229981413 571126450 /nfs/dbraw/zinc/12/64/50/571126450.db2.gz GHCGQOCTIDGCLX-DZGCQCFKSA-N 1 0 354.288 4.318 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000071847908 571127006 /nfs/dbraw/zinc/12/70/06/571127006.db2.gz HBIVBXZRGKDDIS-SIKLNZKXSA-N 1 0 354.538 4.077 50 0 FIAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)cc1OC ZINC000058223182 571129713 /nfs/dbraw/zinc/12/97/13/571129713.db2.gz MUWFSRJBERRIKS-UHFFFAOYSA-N 1 0 363.417 4.130 50 0 FIAARO CC(C)([NH2+]CC(=O)Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000058324223 571131016 /nfs/dbraw/zinc/13/10/16/571131016.db2.gz KXHQJIUKEULALY-UHFFFAOYSA-N 1 0 354.347 4.308 50 0 FIAARO Clc1cc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 ZINC000011171225 571131018 /nfs/dbraw/zinc/13/10/18/571131018.db2.gz FOUHDBFLDFIKGS-OKILXGFUSA-N 1 0 352.887 4.005 50 0 FIAARO C[C@H]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2)c2ccccc2S1 ZINC000058311068 571131038 /nfs/dbraw/zinc/13/10/38/571131038.db2.gz LLRMOHZTSHWILG-INIZCTEOSA-N 1 0 354.519 4.429 50 0 FIAARO CCc1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc(CO)cc4)c3)C2)nc1 ZINC000065371339 571142150 /nfs/dbraw/zinc/14/21/50/571142150.db2.gz INXMLBDPOWMUFJ-QFIPXVFZSA-N 1 0 373.500 4.188 50 0 FIAARO Cc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cs2)cc1 ZINC000012889057 571142407 /nfs/dbraw/zinc/14/24/07/571142407.db2.gz AYEGMQUYZCLNCG-LJQANCHMSA-N 1 0 365.502 4.151 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000012896078 571142807 /nfs/dbraw/zinc/14/28/07/571142807.db2.gz QNQWEPBHGSKZMS-UHFFFAOYSA-N 1 0 357.837 4.266 50 0 FIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c(-c2ccccc2)nc2ncccn12 ZINC000067675041 571148239 /nfs/dbraw/zinc/14/82/39/571148239.db2.gz IARKWUXOKSOQJI-SFHVURJKSA-N 1 0 373.460 4.338 50 0 FIAARO COc1ccc(-c2nc(C[NH+]3CCC(CO)CC3)c(C)o2)c2ccccc12 ZINC000067691316 571148485 /nfs/dbraw/zinc/14/84/85/571148485.db2.gz IIDLQSCYUDHDLF-UHFFFAOYSA-N 1 0 366.461 4.016 50 0 FIAARO CCCC(=O)N1CCC([NH2+][C@@H](c2cccnc2)c2ccc(C)cc2C)CC1 ZINC000067726422 571148940 /nfs/dbraw/zinc/14/89/40/571148940.db2.gz ISRNZOJLEFCFEQ-QHCPKHFHSA-N 1 0 365.521 4.169 50 0 FIAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@@H]3c3ccccn3)cc2c1 ZINC000067726909 571149012 /nfs/dbraw/zinc/14/90/12/571149012.db2.gz HKNROAVXVWSGRK-OAQYLSRUSA-N 1 0 363.461 4.049 50 0 FIAARO CSc1ccc2cc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(=O)[nH]c2c1 ZINC000067805929 571149696 /nfs/dbraw/zinc/14/96/96/571149696.db2.gz IPJKTXUIWPRGCL-HXUWFJFHSA-N 1 0 365.502 4.372 50 0 FIAARO CSc1ccc2cc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)c(=O)[nH]c2c1 ZINC000067805619 571149798 /nfs/dbraw/zinc/14/97/98/571149798.db2.gz VBGUDKSLQWAGRL-HXUWFJFHSA-N 1 0 365.502 4.372 50 0 FIAARO O=C(Nc1nccs1)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000067840525 571150144 /nfs/dbraw/zinc/15/01/44/571150144.db2.gz ZLUDSEIESBQWSG-GOSISDBHSA-N 1 0 364.474 4.128 50 0 FIAARO CCC(CC)C(=O)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1 ZINC000033084644 571154418 /nfs/dbraw/zinc/15/44/18/571154418.db2.gz QZYLXBAHEPDRCP-UHFFFAOYSA-N 1 0 368.525 4.060 50 0 FIAARO CO[C@H](C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C)c1ccccc1 ZINC000060528269 571162915 /nfs/dbraw/zinc/16/29/15/571162915.db2.gz HYEIBDFWKNWRTL-OAQYLSRUSA-N 1 0 371.431 4.245 50 0 FIAARO Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000072122479 571170358 /nfs/dbraw/zinc/17/03/58/571170358.db2.gz QQQPYMGRHZKWEF-GOSISDBHSA-N 1 0 362.477 4.285 50 0 FIAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1ccc(-c3cccnc3)cc1)CC2 ZINC000072138960 571171686 /nfs/dbraw/zinc/17/16/86/571171686.db2.gz WMLAUXVVHKOISR-XMMPIXPASA-N 1 0 370.496 4.199 50 0 FIAARO CCn1ncc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000072146901 571173714 /nfs/dbraw/zinc/17/37/14/571173714.db2.gz QQQFZVJYAMRAOV-UHFFFAOYSA-N 1 0 374.532 4.119 50 0 FIAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000012598841 571188658 /nfs/dbraw/zinc/18/86/58/571188658.db2.gz MAJFOSPBNFAXQM-CEXWTWQISA-N 1 0 350.506 4.259 50 0 FIAARO CN1CC2(CC[NH+](Cc3ccc4oc5ccccc5c4c3)CC2)OC1=O ZINC000072409697 571191675 /nfs/dbraw/zinc/19/16/75/571191675.db2.gz YBLYHRCMWZJSNS-UHFFFAOYSA-N 1 0 350.418 4.003 50 0 FIAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000072429603 571195215 /nfs/dbraw/zinc/19/52/15/571195215.db2.gz HGOGSNPQJMMZNA-HSZRJFAPSA-N 1 0 362.473 4.157 50 0 FIAARO Cc1cnn([C@@H](C)C2CC2)c1NC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299770540 571195756 /nfs/dbraw/zinc/19/57/56/571195756.db2.gz TUBJSDMJWNIIHM-KRWDZBQOSA-N 1 0 373.545 4.035 50 0 FIAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CC[C@@](O)(c2ccccc2)C1 ZINC000072432949 571196034 /nfs/dbraw/zinc/19/60/34/571196034.db2.gz AKMHDEIRQIXYPE-NRFANRHFSA-N 1 0 368.864 4.397 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000299778844 571197277 /nfs/dbraw/zinc/19/72/77/571197277.db2.gz OSWNZGKKZKGOHQ-QGZVFWFLSA-N 1 0 352.482 4.259 50 0 FIAARO CNc1cc(C)nc(N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462792 571197918 /nfs/dbraw/zinc/19/79/18/571197918.db2.gz YWHRTVVCTIATCU-HXUWFJFHSA-N 1 0 367.541 4.102 50 0 FIAARO Fc1cccc(-c2ccc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)cc2)c1 ZINC000072472943 571198636 /nfs/dbraw/zinc/19/86/36/571198636.db2.gz UCWIOPFUTMWWDX-UHFFFAOYSA-N 1 0 373.435 4.035 50 0 FIAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000001230247 571204461 /nfs/dbraw/zinc/20/44/61/571204461.db2.gz UXFUFRUAMAGXED-UHFFFAOYSA-N 1 0 370.884 4.284 50 0 FIAARO C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000534673096 571208655 /nfs/dbraw/zinc/20/86/55/571208655.db2.gz MRVPZEZOHLEHKL-KRWDZBQOSA-N 1 0 374.488 4.038 50 0 FIAARO Cc1ccc2nc(C[N@@H+](Cc3ccc(Cl)cc3)CC(C)C)cc(=O)n2c1 ZINC000064590872 571211575 /nfs/dbraw/zinc/21/15/75/571211575.db2.gz DCSCONRIOSVUJK-UHFFFAOYSA-N 1 0 369.896 4.315 50 0 FIAARO Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3CCc3nccn3C)on2)cc1 ZINC000077453705 571212013 /nfs/dbraw/zinc/21/20/13/571212013.db2.gz XWPSTSYRWIDFQI-LJQANCHMSA-N 1 0 364.493 4.371 50 0 FIAARO CCCCOc1ccc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023128003 571217441 /nfs/dbraw/zinc/21/74/41/571217441.db2.gz OPGDNEJPQFFJDV-UHFFFAOYSA-N 1 0 370.493 4.101 50 0 FIAARO Cc1cc(-c2cccc(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)c2)cc(C)c1O ZINC000426389201 571218836 /nfs/dbraw/zinc/21/88/36/571218836.db2.gz CNMCAVQHMMTHIE-OAQYLSRUSA-N 1 0 366.505 4.232 50 0 FIAARO CCOc1ccc(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000426399081 571220068 /nfs/dbraw/zinc/22/00/68/571220068.db2.gz UCHYGKBTGLCMMH-NRFANRHFSA-N 1 0 364.489 4.063 50 0 FIAARO Cc1ccc(-c2nnc(C[N@@H+]3C[C@H](c4ccccc4)C(C)(C)C3)o2)n1C ZINC000426506902 571228848 /nfs/dbraw/zinc/22/88/48/571228848.db2.gz YFWWJLOYFJIDTK-QGZVFWFLSA-N 1 0 350.466 4.009 50 0 FIAARO C[C@@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCCC1 ZINC000426517520 571229762 /nfs/dbraw/zinc/22/97/62/571229762.db2.gz AURJTBOKHNRCFZ-KRWDZBQOSA-N 1 0 351.494 4.465 50 0 FIAARO CC(=O)c1sccc1-c1ccc(C(=O)NC[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC000426545505 571231292 /nfs/dbraw/zinc/23/12/92/571231292.db2.gz XCHQGCRDKCNNFJ-GOSISDBHSA-N 1 0 370.518 4.220 50 0 FIAARO CCn1c(C)c(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c2ccccc21 ZINC000064669881 571238585 /nfs/dbraw/zinc/23/85/85/571238585.db2.gz IOMNSHGMXWXTBZ-UHFFFAOYSA-N 1 0 367.537 4.240 50 0 FIAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc2ccc(F)cc2c1OC ZINC000064756503 571240681 /nfs/dbraw/zinc/24/06/81/571240681.db2.gz SJBMNXPSVUDIPH-CQSZACIVSA-N 1 0 364.486 4.043 50 0 FIAARO CCN1CC2(CCC1=O)CC[NH+](Cc1[nH]c3ccccc3c1Cl)CC2 ZINC000091644167 571241804 /nfs/dbraw/zinc/24/18/04/571241804.db2.gz JAPWOYAPORNKCD-UHFFFAOYSA-N 1 0 359.901 4.046 50 0 FIAARO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H](C)c3cnc(C)nc3C)cc2F)c1 ZINC000090118063 571274826 /nfs/dbraw/zinc/27/48/26/571274826.db2.gz CVLIAODPVRRYJW-KBPBESRZSA-N 1 0 353.445 4.138 50 0 FIAARO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000252495027 571281135 /nfs/dbraw/zinc/28/11/35/571281135.db2.gz OLBIUQOGDKHUBI-UHFFFAOYSA-N 1 0 362.420 4.311 50 0 FIAARO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(SCc2cccnc2)cc1 ZINC000253428138 571313264 /nfs/dbraw/zinc/31/32/64/571313264.db2.gz HZPFZYRBLUNMCK-KRWDZBQOSA-N 1 0 371.550 4.224 50 0 FIAARO COc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000002394389 571321291 /nfs/dbraw/zinc/32/12/91/571321291.db2.gz GGZIUOCPEYNTJD-UHFFFAOYSA-N 1 0 364.493 4.143 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000013011495 571322980 /nfs/dbraw/zinc/32/29/80/571322980.db2.gz PHHTYNXDRQBUQQ-INIZCTEOSA-N 1 0 368.424 4.334 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000013363931 571323319 /nfs/dbraw/zinc/32/33/19/571323319.db2.gz BSAAQKWLRKPHSF-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO CC(C)[NH+](C[C@H](COc1ccccc1)OC(=O)Cc1ccccc1)C(C)C ZINC000096027893 571334144 /nfs/dbraw/zinc/33/41/44/571334144.db2.gz OFALHIWDYWGGFE-JOCHJYFZSA-N 1 0 369.505 4.339 50 0 FIAARO Fc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(F)c2)C3)cc1 ZINC000021639730 571335288 /nfs/dbraw/zinc/33/52/88/571335288.db2.gz JVKOQGZXHRLFKK-UHFFFAOYSA-N 1 0 352.388 4.057 50 0 FIAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000299754432 571338467 /nfs/dbraw/zinc/33/84/67/571338467.db2.gz OAHKKQFVPNJZBZ-KNQAVFIVSA-N 1 0 367.537 4.214 50 0 biogenic FIAARO COc1ccc([C@@H](C[NH2+]Cc2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000057681688 571345048 /nfs/dbraw/zinc/34/50/48/571345048.db2.gz DIRSBWQZOKHBAY-HXUWFJFHSA-N 1 0 362.876 4.414 50 0 FIAARO COc1ccc2cc(C[NH2+]Cc3ccccc3Cn3ccnc3)ccc2c1 ZINC000030651826 571347211 /nfs/dbraw/zinc/34/72/11/571347211.db2.gz RYEHULZPWFJIBZ-UHFFFAOYSA-N 1 0 357.457 4.383 50 0 FIAARO O=C(CCC(=O)c1cccs1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003324977 571347401 /nfs/dbraw/zinc/34/74/01/571347401.db2.gz SGLOIQHABUDTRO-UHFFFAOYSA-N 1 0 362.539 4.016 50 0 FIAARO Cc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(C)c1 ZINC000003357831 571348331 /nfs/dbraw/zinc/34/83/31/571348331.db2.gz QSAOESZUZPSIHM-GOSISDBHSA-N 1 0 357.523 4.410 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 ZINC000003908507 571353199 /nfs/dbraw/zinc/35/31/99/571353199.db2.gz RDLHLPXIDOQCOT-UHFFFAOYSA-N 1 0 370.280 4.110 50 0 FIAARO Cc1nn(-c2ccccc2)c(Cl)c1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000007984043 571358031 /nfs/dbraw/zinc/35/80/31/571358031.db2.gz CRAALDQSGPIAFK-UHFFFAOYSA-N 1 0 360.933 4.233 50 0 FIAARO CC[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)[NH+]1CCCC1 ZINC000024798339 1080825613 /nfs/dbraw/zinc/82/56/13/1080825613.db2.gz PNMMOIBNCCQDEG-LBPRGKRZSA-N 1 0 354.878 4.298 50 0 FIAARO CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3c(OC)cccc32)c1 ZINC000194854326 1083683028 /nfs/dbraw/zinc/68/30/28/1083683028.db2.gz BZFHXCCPGGMUPJ-FQEVSTJZSA-N 1 0 352.478 4.002 50 0 FIAARO O=C(NCc1ccncc1)c1ccc([C@@H]2CCCN2Cc2ccco2)s1 ZINC000019812966 1089595524 /nfs/dbraw/zinc/59/55/24/1089595524.db2.gz HEXHBPBBWQMXFQ-KRWDZBQOSA-N 1 0 367.474 4.003 50 0 FIAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)ccc3O)C2)C1 ZINC000019939688 1089606260 /nfs/dbraw/zinc/60/62/60/1089606260.db2.gz ARKXLNONUKOSIE-FQEVSTJZSA-N 1 0 364.917 4.020 50 0 FIAARO Cc1ccsc1C(=O)[C@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000020418695 1089667251 /nfs/dbraw/zinc/66/72/51/1089667251.db2.gz QQKXAAOGKGTBQF-AWEZNQCLSA-N 1 0 360.548 4.487 50 0 FIAARO COc1cccc(C[N@@H+]2CCCCCCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257195284 1090333230 /nfs/dbraw/zinc/33/32/30/1090333230.db2.gz VTONOSGBRZAVID-JOCHJYFZSA-N 1 0 366.505 4.319 50 0 FIAARO Cc1cnc(C[C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000581816930 1090409653 /nfs/dbraw/zinc/40/96/53/1090409653.db2.gz SJVXKAUHUMWKMV-NRFANRHFSA-N 1 0 362.521 4.033 50 0 FIAARO CCCCN(CC)C(=O)[C@@H]1OCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675011936 1090887583 /nfs/dbraw/zinc/88/75/83/1090887583.db2.gz YRSRUOSOROJYRM-LEWJYISDSA-N 1 0 358.526 4.020 50 0 FIAARO O=C(CC[N@H+](CC1CCC1)C[C@@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000252493411 1093612493 /nfs/dbraw/zinc/61/24/93/1093612493.db2.gz NBOZTUFMVBYKGE-INIZCTEOSA-N 1 0 368.880 4.089 50 0 FIAARO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000080915887 1113103498 /nfs/dbraw/zinc/10/34/98/1113103498.db2.gz SOVBYIJDYURHFT-UHFFFAOYSA-N 1 0 373.500 4.467 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000257180481 1115666794 /nfs/dbraw/zinc/66/67/94/1115666794.db2.gz DPAAPVOOHYWFSX-MRXNPFEDSA-N 1 0 358.511 4.010 50 0 FIAARO CCc1nc(-c2ccc(O[C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)cc2)no1 ZINC000169784227 1115683083 /nfs/dbraw/zinc/68/30/83/1115683083.db2.gz GTVVPOZRUKQAKU-LJQANCHMSA-N 1 0 367.424 4.091 50 0 FIAARO O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229624879 1115861596 /nfs/dbraw/zinc/86/15/96/1115861596.db2.gz IUXWWYNSGXOWSA-HTQTUQKFSA-N 1 0 370.493 4.310 50 0 FIAARO OCC1CC[NH+](Cc2ccccc2NCc2cnc3ccccc3c2)CC1 ZINC000267953903 1121313391 /nfs/dbraw/zinc/31/33/91/1121313391.db2.gz VBPLGFOXQCOPPU-UHFFFAOYSA-N 1 0 361.489 4.051 50 0 FIAARO Cc1ccc(-c2cc(C[N@@H+]3CC[C@@H](c4ccccc4)[C@@H](CO)C3)on2)cc1 ZINC000510177449 1121674900 /nfs/dbraw/zinc/67/49/00/1121674900.db2.gz UBPXTECJJUJTKE-IRLDBZIGSA-N 1 0 362.473 4.248 50 0 FIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000011842740 1125227595 /nfs/dbraw/zinc/22/75/95/1125227595.db2.gz HKUICOHDVLBIPC-NRFANRHFSA-N 1 0 359.897 4.166 50 0 FIAARO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000000591998 210250523 /nfs/dbraw/zinc/25/05/23/210250523.db2.gz VQLPLYSROCPWFF-ROUUACIJSA-N 1 0 369.336 4.401 50 0 in-vivo FIAARO O=C(/C=C\c1ccccc1F)Nc1ccccc1C[NH+]1CCSCC1 ZINC000096402087 210239468 /nfs/dbraw/zinc/23/94/68/210239468.db2.gz YYAQMGJAGIEKPJ-KTKRTIGZSA-N 1 0 356.466 4.026 50 0 FIAARO O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl ZINC000003401899 210227678 /nfs/dbraw/zinc/22/76/78/210227678.db2.gz GQJNFXXFTZTBLZ-KSSFIOAISA-N 1 0 366.288 4.400 50 0 FIAARO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000000655345 210149420 /nfs/dbraw/zinc/14/94/20/210149420.db2.gz ZWSKQYINLNUCMK-SFHVURJKSA-N 1 0 373.250 4.077 50 0 in-vitro FIAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccccc2OCCCc2ccccc2)CC1 ZINC000299796042 210036082 /nfs/dbraw/zinc/03/60/82/210036082.db2.gz NXOFBBQTYYAVDY-IBGZPJMESA-N 1 0 367.493 4.043 50 0 FIAARO Cc1ccc(Cl)c(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000299790808 210034369 /nfs/dbraw/zinc/03/43/69/210034369.db2.gz CECKVXKOWVJSOG-GOSISDBHSA-N 1 0 356.897 4.290 50 0 FIAARO O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000299777046 210022520 /nfs/dbraw/zinc/02/25/20/210022520.db2.gz NMLJRTGIGDFJKW-OAQYLSRUSA-N 1 0 351.450 4.086 50 0 FIAARO C[NH+]1CCC2(CC1)CCCN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000299773819 210019646 /nfs/dbraw/zinc/01/96/46/210019646.db2.gz FEQXQZYRUCHQSA-UHFFFAOYSA-N 1 0 352.478 4.285 50 0 FIAARO O=C(c1cccc(-c2ccsc2)c1)N1CCC([NH+]2CCSCC2)CC1 ZINC000299755108 210006554 /nfs/dbraw/zinc/00/65/54/210006554.db2.gz BYQGJTZKVMDYJQ-UHFFFAOYSA-N 1 0 372.559 4.069 50 0 FIAARO COc1ccc(OC[C@H](O)C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000001294374 219393995 /nfs/dbraw/zinc/39/39/95/219393995.db2.gz WXTZMELYAQDTBY-HXUWFJFHSA-N 1 0 361.526 4.402 50 0 FIAARO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000225536488 222849754 /nfs/dbraw/zinc/84/97/54/222849754.db2.gz XQUOJOKQDSRFHW-UHFFFAOYSA-N 1 0 370.459 4.362 50 0 FIAARO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000003995684 219533269 /nfs/dbraw/zinc/53/32/69/219533269.db2.gz GHCCBWMZKJQGLS-OAHLLOKOSA-N 1 0 355.309 4.013 50 0 in-vivo FIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000005355407 219673408 /nfs/dbraw/zinc/67/34/08/219673408.db2.gz GXIUHNGDHPOTMO-ZACQAIPSSA-N 1 0 357.494 4.314 50 0 FIAARO COc1c2cc(Cl)ccc2sc1C(=O)NCCC[NH+]1CCCCC1 ZINC000064756676 212043437 /nfs/dbraw/zinc/04/34/37/212043437.db2.gz HZBJBSHRCKSOPJ-UHFFFAOYSA-N 1 0 366.914 4.169 50 0 FIAARO COc1c2ccc(Cl)cc2sc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000064756826 212042872 /nfs/dbraw/zinc/04/28/72/212042872.db2.gz GJKKIQNJZAWMAS-GFCCVEGCSA-N 1 0 366.914 4.168 50 0 FIAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc2cccc(F)c2c1OC ZINC000064756378 212042950 /nfs/dbraw/zinc/04/29/50/212042950.db2.gz QAQSQKNEXZEAGK-CYBMUJFWSA-N 1 0 364.486 4.043 50 0 FIAARO c1ccc(COc2ccc(C[NH2+]C[C@H]3COc4ccccc4C3)cc2)nc1 ZINC000064411601 212037162 /nfs/dbraw/zinc/03/71/62/212037162.db2.gz JLQGANGYTFVNMM-IBGZPJMESA-N 1 0 360.457 4.002 50 0 FIAARO O=c1[nH]c(-c2ccccc2C[NH+]2CCCCCCCC2)nc2c1CCC2 ZINC000063848550 212033455 /nfs/dbraw/zinc/03/34/55/212033455.db2.gz CIDRRAQVKMUSAD-UHFFFAOYSA-N 1 0 351.494 4.082 50 0 FIAARO Fc1ccc(N2CC[C@H](C[NH2+]Cc3csc(-c4ccco4)n3)C2)cc1 ZINC000063523523 212031916 /nfs/dbraw/zinc/03/19/16/212031916.db2.gz AMTMSHNNMBTJAB-CQSZACIVSA-N 1 0 357.454 4.158 50 0 FIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000012710877 220019116 /nfs/dbraw/zinc/01/91/16/220019116.db2.gz YBCZQOFCJYUMMS-FQEVSTJZSA-N 1 0 360.457 4.338 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000012771035 220028113 /nfs/dbraw/zinc/02/81/13/220028113.db2.gz SBNKZGLRQXKCMF-CQSZACIVSA-N 1 0 362.926 4.199 50 0 FIAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000058520005 212011569 /nfs/dbraw/zinc/01/15/69/212011569.db2.gz PBRUMJFESWPDFV-CQSZACIVSA-N 1 0 368.319 4.083 50 0 FIAARO C[N@H+](CCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1Cl ZINC000058417699 212009584 /nfs/dbraw/zinc/00/95/84/212009584.db2.gz CFFAVYABZJTIJN-UHFFFAOYSA-N 1 0 365.260 4.423 50 0 FIAARO Cc1cc(Br)cc(C)c1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247728 220181836 /nfs/dbraw/zinc/18/18/36/220181836.db2.gz AXCLDRRARJYSOU-IYBDPMFKSA-N 1 0 370.331 4.334 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2cc(Cl)ccc2[nH]1 ZINC000032759795 211560577 /nfs/dbraw/zinc/56/05/77/211560577.db2.gz DOCCTKMLADTKGD-UHFFFAOYSA-N 1 0 367.880 4.347 50 0 FIAARO O=c1c2ccc(Cl)cc2ncn1CCC1CC[NH+](C2CCCC2)CC1 ZINC000032540589 211549693 /nfs/dbraw/zinc/54/96/93/211549693.db2.gz AZXCHJSUOCYVCW-UHFFFAOYSA-N 1 0 359.901 4.095 50 0 FIAARO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000023752174 211395302 /nfs/dbraw/zinc/39/53/02/211395302.db2.gz MJKIYZBLCYHQHI-QGZVFWFLSA-N 1 0 362.477 4.170 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000023718183 211394920 /nfs/dbraw/zinc/39/49/20/211394920.db2.gz HKPAGEVOPNJLNC-CQSZACIVSA-N 1 0 357.306 4.017 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936162 211372175 /nfs/dbraw/zinc/37/21/75/211372175.db2.gz WRRDOFRUTLFLDI-FQEVSTJZSA-N 1 0 358.913 4.493 50 0 FIAARO CN(Cc1cccn1-c1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022914638 211368713 /nfs/dbraw/zinc/36/87/13/211368713.db2.gz SOQLWKKRSMBVKG-JOCHJYFZSA-N 1 0 374.532 4.011 50 0 FIAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000022609886 211356277 /nfs/dbraw/zinc/35/62/77/211356277.db2.gz MJVIRSKIOHMIGF-MRXNPFEDSA-N 1 0 359.433 4.115 50 0 FIAARO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000022078141 211338497 /nfs/dbraw/zinc/33/84/97/211338497.db2.gz KQOOYNSRNGDGAQ-FVGBQIPRSA-N 1 0 354.538 4.437 50 0 FIAARO CN1CCc2c(sc3c2C[NH2+][C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865065 211297591 /nfs/dbraw/zinc/29/75/91/211297591.db2.gz OXWWUZSLGXMFTD-LJQANCHMSA-N 1 0 369.921 4.373 50 0 FIAARO c1cn(C[C@@H]2CC[NH2+]C2)nc1-c1cccc(-c2cnc3ccccc3c2)c1 ZINC000020542718 211284678 /nfs/dbraw/zinc/28/46/78/211284678.db2.gz CHTWRROYCSLJFO-QGZVFWFLSA-N 1 0 354.457 4.375 50 0 FIAARO c1ccc(OCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020117907 211268620 /nfs/dbraw/zinc/26/86/20/211268620.db2.gz QJXHHRVPXGGQDG-UHFFFAOYSA-N 1 0 372.512 4.473 50 0 FIAARO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000019722780 211252401 /nfs/dbraw/zinc/25/24/01/211252401.db2.gz PBAULOAXXJHGSJ-UHFFFAOYSA-N 1 0 368.912 4.294 50 0 FIAARO S=c1sc2ccccc2n1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019924500 211262541 /nfs/dbraw/zinc/26/25/41/211262541.db2.gz BQOFIHKBQDUWDE-UHFFFAOYSA-N 1 0 355.532 4.208 50 0 FIAARO CCc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019842354 211260598 /nfs/dbraw/zinc/26/05/98/211260598.db2.gz YYOSWGIFUXIIOP-UHFFFAOYSA-N 1 0 373.338 4.329 50 0 FIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000019842156 211260427 /nfs/dbraw/zinc/26/04/27/211260427.db2.gz UZQXHUBUCWXUHG-YJBOKZPZSA-N 1 0 351.332 4.145 50 0 FIAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3nc(-c4ccco4)oc3C)C2)c1 ZINC000019792622 211255799 /nfs/dbraw/zinc/25/57/99/211255799.db2.gz UBUYYYFJQBQPIP-OAHLLOKOSA-N 1 0 368.433 4.250 50 0 FIAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019364147 211219619 /nfs/dbraw/zinc/21/96/19/211219619.db2.gz OWGHSDXRNVLLLV-YJBOKZPZSA-N 1 0 351.332 4.145 50 0 FIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000015073723 211119677 /nfs/dbraw/zinc/11/96/77/211119677.db2.gz PQEGTXWKESAGRY-SFHVURJKSA-N 1 0 370.880 4.393 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cc1 ZINC000015077088 211118725 /nfs/dbraw/zinc/11/87/25/211118725.db2.gz FDAAPVLQGHOBEH-QFIPXVFZSA-N 1 0 359.460 4.344 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccoc1C ZINC000015066370 211116896 /nfs/dbraw/zinc/11/68/96/211116896.db2.gz ARTFCBLHECPXCY-UHFFFAOYSA-N 1 0 368.521 4.313 50 0 FIAARO CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000014966183 211109015 /nfs/dbraw/zinc/10/90/15/211109015.db2.gz ONJYTQGQZSAENT-QGZVFWFLSA-N 1 0 360.929 4.166 50 0 FIAARO COc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000014111995 211074133 /nfs/dbraw/zinc/07/41/33/211074133.db2.gz RPPNRKFVOUXKHT-UHFFFAOYSA-N 1 0 370.456 4.233 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1F ZINC000013363923 211030438 /nfs/dbraw/zinc/03/04/38/211030438.db2.gz XPFVTYVKTOCNST-UHFFFAOYSA-N 1 0 373.447 4.307 50 0 FIAARO O[C@H](c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000013152903 211025947 /nfs/dbraw/zinc/02/59/47/211025947.db2.gz IUOKAJBTLLBDLO-UBFVSLLYSA-N 1 0 373.496 4.130 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000013002027 211019337 /nfs/dbraw/zinc/01/93/37/211019337.db2.gz WKAOWMZUJYSYOS-PGRDOPGGSA-N 1 0 366.505 4.408 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000012928783 211008608 /nfs/dbraw/zinc/00/86/08/211008608.db2.gz PBNDICLNGYRMOW-INIZCTEOSA-N 1 0 355.240 4.165 50 0 FIAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000012912111 211007656 /nfs/dbraw/zinc/00/76/56/211007656.db2.gz JKVAJYAICHPBNS-UHFFFAOYSA-N 1 0 371.484 4.274 50 0 FIAARO CC(C)Oc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012974996 211014398 /nfs/dbraw/zinc/01/43/98/211014398.db2.gz CCTKWRALDXOWMW-UHFFFAOYSA-N 1 0 366.505 4.390 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2F)CC1 ZINC000012727148 210984223 /nfs/dbraw/zinc/98/42/23/210984223.db2.gz YWRWANHZDCHJEZ-UHFFFAOYSA-N 1 0 373.447 4.307 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3F)CC2)c1 ZINC000006767519 210697556 /nfs/dbraw/zinc/69/75/56/210697556.db2.gz GEOIROWMYMQFFM-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2Br)cc1OC ZINC000019608821 220280447 /nfs/dbraw/zinc/28/04/47/220280447.db2.gz FGNXDZYIUCJCBA-ZDUSSCGKSA-N 1 0 364.283 4.187 50 0 FIAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000019720674 220291948 /nfs/dbraw/zinc/29/19/48/220291948.db2.gz OFYNOYJJJXHKIR-UHFFFAOYSA-N 1 0 370.276 4.352 50 0 FIAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002115623 210379387 /nfs/dbraw/zinc/37/93/87/210379387.db2.gz QZOZWGYJDFTPNT-UHFFFAOYSA-N 1 0 373.909 4.298 50 0 FIAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000019787119 220296291 /nfs/dbraw/zinc/29/62/91/220296291.db2.gz VNSDGNDQFNOKKG-JOCHJYFZSA-N 1 0 358.489 4.024 50 0 FIAARO Cc1c2cc(C)ccc2oc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019782047 220296885 /nfs/dbraw/zinc/29/68/85/220296885.db2.gz PWCXWRHBWRCLCV-UHFFFAOYSA-N 1 0 360.417 4.116 50 0 FIAARO CCOC(C(=O)OCCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000001831931 210371087 /nfs/dbraw/zinc/37/10/87/210371087.db2.gz RWRUUZFOYYRACJ-UHFFFAOYSA-N 1 0 369.505 4.242 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(Br)cc1 ZINC000020111865 220313251 /nfs/dbraw/zinc/31/32/51/220313251.db2.gz ARCHQKJHEJFLGX-KRWDZBQOSA-N 1 0 357.251 4.174 50 0 biogenic FIAARO CC[NH+](CC)CCn1c2ccccc2n2c(C=O)c(-c3ccccc3)nc12 ZINC000000980128 210297878 /nfs/dbraw/zinc/29/78/78/210297878.db2.gz SRJBRYAODVCNEG-UHFFFAOYSA-N 1 0 360.461 4.110 50 0 FIAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000000819304 210276114 /nfs/dbraw/zinc/27/61/14/210276114.db2.gz SMTJULKZAXWLGY-OAHLLOKOSA-N 1 0 368.443 4.176 50 0 FIAARO COc1cccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)c1OC ZINC000048781186 221014009 /nfs/dbraw/zinc/01/40/09/221014009.db2.gz YRKRODVJHDCYIK-UHFFFAOYSA-N 1 0 368.477 4.122 50 0 FIAARO O=C(CCc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000058134425 221099916 /nfs/dbraw/zinc/09/99/16/221099916.db2.gz BODUZZPXZWVQJJ-UHFFFAOYSA-N 1 0 374.887 4.193 50 0 FIAARO C[N@H+](CCCNC(=O)c1ccnc(-c2cccs2)c1)C1CCCCC1 ZINC000065063097 221166804 /nfs/dbraw/zinc/16/68/04/221166804.db2.gz LABVEWNJMACSCS-UHFFFAOYSA-N 1 0 357.523 4.195 50 0 FIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C2CC2)C2CCOCC2)cc1 ZINC000065370215 221204622 /nfs/dbraw/zinc/20/46/22/221204622.db2.gz DXTKZZRLQHRGMW-UHFFFAOYSA-N 1 0 358.526 4.092 50 0 FIAARO CC(C)n1cc(-c2c(-c3ccccc3)ncn2[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC000065387847 221209503 /nfs/dbraw/zinc/20/95/03/221209503.db2.gz JFPFDVHPGATUEM-HXUWFJFHSA-N 1 0 361.493 4.261 50 0 FIAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000065469752 221222708 /nfs/dbraw/zinc/22/27/08/221222708.db2.gz LFOPKRWRDPGTDO-GOSISDBHSA-N 1 0 369.509 4.046 50 0 FIAARO OCCCn1cnc(-c2ccccc2)c1-c1ccc(C[NH+]2CCCC2)s1 ZINC000065505438 221228405 /nfs/dbraw/zinc/22/84/05/221228405.db2.gz LUJIBUJRXZYGBV-UHFFFAOYSA-N 1 0 367.518 4.257 50 0 FIAARO Cc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067338632 221252881 /nfs/dbraw/zinc/25/28/81/221252881.db2.gz JNSOVAMADRJSEV-UHFFFAOYSA-N 1 0 352.478 4.039 50 0 FIAARO C[N@@H+]1CCC[C@@H]1CCN1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643374 221265524 /nfs/dbraw/zinc/26/55/24/221265524.db2.gz IGUVZIWATROVGZ-GOSISDBHSA-N 1 0 361.489 4.337 50 0 FIAARO COc1ccc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)c2ccc(C)nc12 ZINC000067654750 221266669 /nfs/dbraw/zinc/26/66/69/221266669.db2.gz UDBZFEYEIZXSPA-OAQYLSRUSA-N 1 0 370.456 4.177 50 0 FIAARO CCN(Cc1c(F)cccc1Cl)c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067562919 221259177 /nfs/dbraw/zinc/25/91/77/221259177.db2.gz OESHADCVQKWAAS-UHFFFAOYSA-N 1 0 362.880 4.071 50 0 FIAARO CCOc1ccccc1-c1nc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000067713617 221275665 /nfs/dbraw/zinc/27/56/65/221275665.db2.gz JVDZIMWWLJZSNV-INIZCTEOSA-N 1 0 369.509 4.107 50 0 FIAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccnc4c3cccc4C(F)(F)F)c2O1 ZINC000067725412 221277877 /nfs/dbraw/zinc/27/78/77/221277877.db2.gz OPSFFAUQGKJBKH-GFCCVEGCSA-N 1 0 362.326 4.322 50 0 FIAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1ncccc1C(F)(F)F ZINC000067689324 221272300 /nfs/dbraw/zinc/27/23/00/221272300.db2.gz YFIUHCHWULCWOM-UHFFFAOYSA-N 1 0 352.356 4.497 50 0 FIAARO Cc1cc(C)n(-c2cc(C)ccc2-c2ccc(C3(O)CC[NH2+]CC3)cc2)n1 ZINC000067846890 221293649 /nfs/dbraw/zinc/29/36/49/221293649.db2.gz NCBLDEQWZSSGGJ-UHFFFAOYSA-N 1 0 361.489 4.036 50 0 FIAARO CC[NH+](CC)CCn1c2ccc3c(c2c2c1ccc1c2CCC1=O)CCC3=O ZINC000068202913 221314436 /nfs/dbraw/zinc/31/44/36/221314436.db2.gz WBNDUJWRJNLCBD-UHFFFAOYSA-N 1 0 374.484 4.394 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071404171 221346060 /nfs/dbraw/zinc/34/60/60/221346060.db2.gz UAFMMLXYSHPTNP-OAHLLOKOSA-N 1 0 351.416 4.284 50 0 FIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCc4ccccn4)C3)ccc2c1 ZINC000071761946 221370053 /nfs/dbraw/zinc/37/00/53/221370053.db2.gz HLOQAYIGZFRNFB-OAQYLSRUSA-N 1 0 374.484 4.381 50 0 FIAARO OC1([C@H](c2ccccc2)c2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000071767141 221372931 /nfs/dbraw/zinc/37/29/31/221372931.db2.gz XMSSNTOXQDWEEK-HSZRJFAPSA-N 1 0 358.485 4.241 50 0 FIAARO C[NH+](C)C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)CC1=O ZINC000071770684 221373369 /nfs/dbraw/zinc/37/33/69/221373369.db2.gz ZKRALUUTNITNJY-SIKLISJLSA-N 1 0 361.570 4.137 50 0 FIAARO c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000092066357 132206065 /nfs/dbraw/zinc/20/60/65/132206065.db2.gz YZVBYMIENDWIRJ-LJQANCHMSA-N 1 0 369.472 4.259 50 0 FIAARO Cc1cc(C)c2c(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000054106016 132376078 /nfs/dbraw/zinc/37/60/78/132376078.db2.gz NAPOVBHJORHVOE-UHFFFAOYSA-N 1 0 362.473 4.040 50 0 FIAARO Cc1cc(C[N@@H+](C)C2CCN(c3cccc(-c4cscn4)c3)CC2)on1 ZINC000048175363 136122961 /nfs/dbraw/zinc/12/29/61/136122961.db2.gz LUWAWMUBIVMWIN-UHFFFAOYSA-N 1 0 368.506 4.207 50 0 FIAARO O=C(NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1ccc(Cl)nc1 ZINC000096159739 222059828 /nfs/dbraw/zinc/05/98/28/222059828.db2.gz LOJQOVBVFCVWBQ-GOSISDBHSA-N 1 0 372.900 4.301 50 0 FIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096166462 222066192 /nfs/dbraw/zinc/06/61/92/222066192.db2.gz GFOBWLATCJZNQE-FQEVSTJZSA-N 1 0 353.441 4.195 50 0 FIAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000103312885 222333347 /nfs/dbraw/zinc/33/33/47/222333347.db2.gz MAJFOSPBNFAXQM-OTWHNJEPSA-N 1 0 350.506 4.259 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000019787192 263377418 /nfs/dbraw/zinc/37/74/18/263377418.db2.gz GSVHNTOXMRMBFW-QFIPXVFZSA-N 1 0 359.517 4.374 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)nc2cc(F)ccc21)c1ccco1 ZINC000082170531 520837160 /nfs/dbraw/zinc/83/71/60/520837160.db2.gz BHARSFMAKWUTPQ-IBGZPJMESA-N 1 0 369.440 4.088 50 0 FIAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000020573261 521787027 /nfs/dbraw/zinc/78/70/27/521787027.db2.gz OMVACMSEFZLKAW-PKOBYXMFSA-N 1 0 366.977 4.245 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020535836 522955703 /nfs/dbraw/zinc/95/57/03/522955703.db2.gz VYQUYJBVMLGUIF-HSZRJFAPSA-N 1 0 374.532 4.216 50 0 FIAARO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000020018577 523132731 /nfs/dbraw/zinc/13/27/31/523132731.db2.gz NAHSWSLFZSVYKW-GOSISDBHSA-N 1 0 357.837 4.432 50 0 FIAARO COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091649790 523793722 /nfs/dbraw/zinc/79/37/22/523793722.db2.gz QRYRXAGSAHXTOF-DYESRHJHSA-N 1 0 370.537 4.042 50 0 FIAARO CN1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)[C@@H](c2ccccc2)C1 ZINC000216496322 523909329 /nfs/dbraw/zinc/90/93/29/523909329.db2.gz UEGVOUNRKVEKEG-JOCHJYFZSA-N 1 0 369.578 4.223 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000020889762 524387035 /nfs/dbraw/zinc/38/70/35/524387035.db2.gz SNXXENOFBWZIOD-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO Cc1ccc(CNC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000020889700 524526785 /nfs/dbraw/zinc/52/67/85/524526785.db2.gz TVRZGZNNPWNEQS-UHFFFAOYSA-N 1 0 365.521 4.015 50 0 FIAARO Cc1c(C[NH2+]C2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)cnn1C ZINC000020917582 525723996 /nfs/dbraw/zinc/72/39/96/525723996.db2.gz GXDHUXBUFWRIDE-UHFFFAOYSA-N 1 0 374.532 4.463 50 0 FIAARO COc1cccc(C[NH2+]C[C@@](O)(c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000020219119 526021011 /nfs/dbraw/zinc/02/10/11/526021011.db2.gz CUBPAPUSVWSTSY-JOCHJYFZSA-N 1 0 367.876 4.374 50 0 FIAARO C[C@@H](c1nccs1)n1cc(-c2cc(C[NH+]3CCCCC3)cs2)nn1 ZINC000091444644 526184218 /nfs/dbraw/zinc/18/42/18/526184218.db2.gz VWSSZTWVUJEPFZ-ZDUSSCGKSA-N 1 0 359.524 4.058 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1c[nH]nc1-c1ccccc1 ZINC000091547825 526492821 /nfs/dbraw/zinc/49/28/21/526492821.db2.gz FJPWYUUZMMVURM-NRFANRHFSA-N 1 0 374.488 4.034 50 0 FIAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000020997867 526750939 /nfs/dbraw/zinc/75/09/39/526750939.db2.gz MPAODTTVIMGIJW-QGZVFWFLSA-N 1 0 356.495 4.353 50 0 FIAARO FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)cn1 ZINC000082107371 527681517 /nfs/dbraw/zinc/68/15/17/527681517.db2.gz MYFSWBINBRHVBL-MRXNPFEDSA-N 1 0 364.415 4.087 50 0 FIAARO FC(F)(F)c1cccc(Cc2noc(CCC[NH+]3CCCCC3)n2)c1 ZINC000020534155 527685744 /nfs/dbraw/zinc/68/57/44/527685744.db2.gz HSVIAMLNPCHNCL-UHFFFAOYSA-N 1 0 353.388 4.098 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000057858394 536008837 /nfs/dbraw/zinc/00/88/37/536008837.db2.gz MYIRBJKIYQQMQZ-UHFFFAOYSA-N 1 0 366.509 4.060 50 0 FIAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000012284626 568028268 /nfs/dbraw/zinc/02/82/68/568028268.db2.gz YVMIJUWWUWVEJX-MRXNPFEDSA-N 1 0 373.294 4.300 50 0 FIAARO c1cc([C@H]2CCCCO2)sc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215347010 568065038 /nfs/dbraw/zinc/06/50/38/568065038.db2.gz ITOYJKDYMYGRPY-GOSISDBHSA-N 1 0 366.596 4.003 50 0 FIAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Br ZINC000002738476 568067371 /nfs/dbraw/zinc/06/73/71/568067371.db2.gz SUCKAKHUUBWZBX-UHFFFAOYSA-N 1 0 359.267 4.271 50 0 FIAARO Cc1c2ccccc2oc1CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000215524444 568075128 /nfs/dbraw/zinc/07/51/28/568075128.db2.gz FDYAKCLSDGQHMG-NRFANRHFSA-N 1 0 360.501 4.416 50 0 FIAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cnc(C2CCCCC2)nc1 ZINC000216202501 568112099 /nfs/dbraw/zinc/11/20/99/568112099.db2.gz HWPBSYRZOFNTAC-UHFFFAOYSA-N 1 0 350.510 4.102 50 0 FIAARO CC(C)c1noc(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n1 ZINC000216353805 568119450 /nfs/dbraw/zinc/11/94/50/568119450.db2.gz XJVVASYUVYOGJX-UHFFFAOYSA-N 1 0 352.438 4.228 50 0 FIAARO c1cc([C@H]2CCCCO2)sc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000216430773 568123208 /nfs/dbraw/zinc/12/32/08/568123208.db2.gz ZBTJAJSSEAOUTP-GOSISDBHSA-N 1 0 366.596 4.003 50 0 FIAARO CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2ccnc3ccccc23)c(C)o1 ZINC000219598388 568292003 /nfs/dbraw/zinc/29/20/03/568292003.db2.gz VFOUXZUKVHIERY-UHFFFAOYSA-N 1 0 365.477 4.250 50 0 FIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C(F)(F)F)cc1OC ZINC000023280432 568393326 /nfs/dbraw/zinc/39/33/26/568393326.db2.gz WIPUJULKAOKAED-CYBMUJFWSA-N 1 0 353.384 4.443 50 0 FIAARO O=C(NC1CCCCCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071404 568456665 /nfs/dbraw/zinc/45/66/65/568456665.db2.gz JEMLJBBWRCUICF-AWEZNQCLSA-N 1 0 374.916 4.272 50 0 FIAARO O=C(Nc1ccccc1C(F)(F)F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091914796 570442477 /nfs/dbraw/zinc/44/24/77/570442477.db2.gz OXBVSYMEGQRNAM-HUUCEWRRSA-N 1 0 367.415 4.044 50 0 FIAARO Cc1ccc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)cc1C ZINC000091974117 570444091 /nfs/dbraw/zinc/44/40/91/570444091.db2.gz VPUBMIKOIMOTSW-UHFFFAOYSA-N 1 0 366.534 4.384 50 0 FIAARO CC(C)=CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000092002560 570445174 /nfs/dbraw/zinc/44/51/74/570445174.db2.gz PEKZAMWTJYTWLA-OAQYLSRUSA-N 1 0 352.522 4.213 50 0 FIAARO C[NH+]1CCC(n2nc(C3CC3)nc2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000092099658 570447465 /nfs/dbraw/zinc/44/74/65/570447465.db2.gz GVDVWFVUEWYJAD-UHFFFAOYSA-N 1 0 364.415 4.032 50 0 FIAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cccc3ccccc31)CC2 ZINC000095357370 570453192 /nfs/dbraw/zinc/45/31/92/570453192.db2.gz JRUBVNUZEPQLHW-HSZRJFAPSA-N 1 0 370.496 4.478 50 0 FIAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000095365284 570454791 /nfs/dbraw/zinc/45/47/91/570454791.db2.gz VYUPHHGJHPEUNB-FQEVSTJZSA-N 1 0 371.912 4.061 50 0 FIAARO c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccc4ncccc24)C3)cc1 ZINC000095364460 570454817 /nfs/dbraw/zinc/45/48/17/570454817.db2.gz QISMMUHDEBTINZ-RBBKRZOGSA-N 1 0 357.501 4.331 50 0 FIAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2c(F)cccc2F)C3)cc1 ZINC000095370445 570455937 /nfs/dbraw/zinc/45/59/37/570455937.db2.gz NBTMLYJLSOOHCE-ZWKOTPCHSA-N 1 0 372.459 4.070 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC[C@H]1c1nccs1 ZINC000095380623 570458977 /nfs/dbraw/zinc/45/89/77/570458977.db2.gz RMKTWVZPUORWIZ-IBGZPJMESA-N 1 0 369.534 4.496 50 0 FIAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c(F)c1F ZINC000095383359 570459715 /nfs/dbraw/zinc/45/97/15/570459715.db2.gz CAEHJOZNUDWKDE-QZTJIDSGSA-N 1 0 370.443 4.010 50 0 FIAARO CC(C)[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C[C@H]1[NH+](C)C ZINC000095386146 570460016 /nfs/dbraw/zinc/46/00/16/570460016.db2.gz JNGUWACBKVTQHG-LEWJYISDSA-N 1 0 354.469 4.151 50 0 FIAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)Nc1cccc(C(F)(F)F)c1F ZINC000095526429 570468900 /nfs/dbraw/zinc/46/89/00/570468900.db2.gz WFRNDVNQBQUAEX-LLVKDONJSA-N 1 0 361.383 4.039 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000002735117 570528934 /nfs/dbraw/zinc/52/89/34/570528934.db2.gz IAZWNNACOSEBDJ-LJQANCHMSA-N 1 0 356.897 4.211 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000004863055 570552466 /nfs/dbraw/zinc/55/24/66/570552466.db2.gz VTJAYVRBDLHSKT-LJQANCHMSA-N 1 0 367.880 4.305 50 0 FIAARO CC[NH+](CC)CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938202 570562852 /nfs/dbraw/zinc/56/28/52/570562852.db2.gz LKOVEELJWRAYAZ-UHFFFAOYSA-N 1 0 361.898 4.175 50 0 FIAARO C[C@H](C[NH+]1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br ZINC000003904923 570571457 /nfs/dbraw/zinc/57/14/57/570571457.db2.gz NTTBMJIADQIFRG-MELADBBJSA-N 1 0 354.288 4.257 50 0 FIAARO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000005023387 570576621 /nfs/dbraw/zinc/57/66/21/570576621.db2.gz LHEQFSJXURJKAM-UHFFFAOYSA-N 1 0 353.510 4.466 50 0 FIAARO Cc1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004122065 570577272 /nfs/dbraw/zinc/57/72/72/570577272.db2.gz UXWDVQVDWOURDH-HSZRJFAPSA-N 1 0 361.485 4.437 50 0 FIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000004676605 570600648 /nfs/dbraw/zinc/60/06/48/570600648.db2.gz ITIJJDJOKWSMDQ-HXUWFJFHSA-N 1 0 353.462 4.041 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745011 570604691 /nfs/dbraw/zinc/60/46/91/570604691.db2.gz WIFMXZVPDQOTKW-QHCPKHFHSA-N 1 0 362.517 4.046 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)c(F)cc1Cl ZINC000004833832 570609310 /nfs/dbraw/zinc/60/93/10/570609310.db2.gz AHMGOWBSIOOXQT-UHFFFAOYSA-N 1 0 350.796 4.466 50 0 FIAARO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981311 570615719 /nfs/dbraw/zinc/61/57/19/570615719.db2.gz ABENVCWWRWVMAW-FQEVSTJZSA-N 1 0 360.423 4.385 50 0 FIAARO C[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000248327960 570618729 /nfs/dbraw/zinc/61/87/29/570618729.db2.gz BAGPJGSPOHTGMQ-FTGAXOIBSA-N 1 0 355.385 4.159 50 0 FIAARO COCCc1noc(C[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)n1 ZINC000252511013 570623398 /nfs/dbraw/zinc/62/33/98/570623398.db2.gz CXLMQGMRXLCXSQ-OALUTQOASA-N 1 0 361.530 4.362 50 0 FIAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000252503494 570623558 /nfs/dbraw/zinc/62/35/58/570623558.db2.gz VDTVMIPAGNBNOQ-UHFFFAOYSA-N 1 0 372.538 4.458 50 0 FIAARO CC[NH+]1CCN(c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c32)CC1 ZINC000005555322 570630692 /nfs/dbraw/zinc/63/06/92/570630692.db2.gz IPTPNTMCIDWAFU-UHFFFAOYSA-N 1 0 372.925 4.462 50 0 FIAARO Brc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)o1 ZINC000584904433 570664217 /nfs/dbraw/zinc/66/42/17/570664217.db2.gz ZTYOGEWKQHYXSX-SJLPKXTDSA-N 1 0 367.331 4.271 50 0 FIAARO FC(F)(F)c1cccnc1NCC[NH2+]Cc1csc(-c2ccco2)n1 ZINC000152757573 570679746 /nfs/dbraw/zinc/67/97/46/570679746.db2.gz NVUPYWLEICBTIH-UHFFFAOYSA-N 1 0 368.384 4.019 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000008863149 570686348 /nfs/dbraw/zinc/68/63/48/570686348.db2.gz HETOAMDALXHPFY-SFHVURJKSA-N 1 0 364.461 4.373 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1c(F)cccc1F ZINC000008863013 570686355 /nfs/dbraw/zinc/68/63/55/570686355.db2.gz SCMPRDBZWJYSRR-KRWDZBQOSA-N 1 0 364.461 4.373 50 0 FIAARO O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008863071 570686398 /nfs/dbraw/zinc/68/63/98/570686398.db2.gz AYUZWURHAHDCCU-IBGZPJMESA-N 1 0 360.498 4.163 50 0 FIAARO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1C ZINC000009090034 570691388 /nfs/dbraw/zinc/69/13/88/570691388.db2.gz UDDJNYUXGKXBKG-UHFFFAOYSA-N 1 0 361.449 4.157 50 0 FIAARO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000010447285 570700855 /nfs/dbraw/zinc/70/08/55/570700855.db2.gz 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ZINC000011951949 570713065 /nfs/dbraw/zinc/71/30/65/570713065.db2.gz XYLRHVZMCYZWIM-GOSISDBHSA-N 1 0 371.864 4.222 50 0 FIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccoc1C ZINC000011951533 570713087 /nfs/dbraw/zinc/71/30/87/570713087.db2.gz WBCASGSVAYUJEK-LJQANCHMSA-N 1 0 372.484 4.144 50 0 FIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012020242 570713985 /nfs/dbraw/zinc/71/39/85/570713985.db2.gz NIZCCNSMRFLTIU-DOHLAZSCSA-N 1 0 369.480 4.165 50 0 FIAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012021064 570714130 /nfs/dbraw/zinc/71/41/30/570714130.db2.gz BDPDRQCSYARXLJ-HXUWFJFHSA-N 1 0 363.860 4.002 50 0 FIAARO CCCN1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074594 570716435 /nfs/dbraw/zinc/71/64/35/570716435.db2.gz YIDKAGBKJQLYQZ-FQEVSTJZSA-N 1 0 372.553 4.243 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1OC ZINC000012303800 570734353 /nfs/dbraw/zinc/73/43/53/570734353.db2.gz HYXZSTRIWYKBJI-KRWDZBQOSA-N 1 0 373.880 4.452 50 0 FIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)c1 ZINC000012305284 570734731 /nfs/dbraw/zinc/73/47/31/570734731.db2.gz SASKKZBPJPOHIZ-SFHVURJKSA-N 1 0 362.473 4.282 50 0 FIAARO O=C(C1=CCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012373271 570740152 /nfs/dbraw/zinc/74/01/52/570740152.db2.gz VSPZBHZXUPPTQL-JOCHJYFZSA-N 1 0 374.475 4.280 50 0 FIAARO CCn1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cn1 ZINC000012446331 570746581 /nfs/dbraw/zinc/74/65/81/570746581.db2.gz QFDAPLRSMFECOI-UHFFFAOYSA-N 1 0 357.461 4.250 50 0 FIAARO Cc1cccc(C)c1Oc1ncccc1CNC1CC[NH+](C(C)C)CC1 ZINC000012448121 570746749 /nfs/dbraw/zinc/74/67/49/570746749.db2.gz HMRXEHGIBIPXTQ-UHFFFAOYSA-N 1 0 353.510 4.453 50 0 FIAARO COc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012457072 570747010 /nfs/dbraw/zinc/74/70/10/570747010.db2.gz QLAQTXCAMHJPAM-CYBMUJFWSA-N 1 0 357.404 4.318 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C1=CCCC1 ZINC000012573902 570751001 /nfs/dbraw/zinc/75/10/01/570751001.db2.gz MBLXKGBXIJEYBS-UHFFFAOYSA-N 1 0 354.538 4.208 50 0 FIAARO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](C3CCCCC3)C2)cc(OC)c1 ZINC000012588348 570751860 /nfs/dbraw/zinc/75/18/60/570751860.db2.gz VFCNSRCKYBZWGB-QGZVFWFLSA-N 1 0 374.525 4.467 50 0 FIAARO CCC[N@@H+](Cc1nc(-c2ccc(F)c(OC)c2)oc1C)C[C@H]1CCCO1 ZINC000012595653 570753143 /nfs/dbraw/zinc/75/31/43/570753143.db2.gz DNDCGXVQHVKRES-MRXNPFEDSA-N 1 0 362.445 4.189 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccc(F)c1 ZINC000032729109 570783312 /nfs/dbraw/zinc/78/33/12/570783312.db2.gz AJKVBORJGPJCEO-MRXNPFEDSA-N 1 0 360.429 4.212 50 0 FIAARO CCOc1ccc2oc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c(C)c2c1 ZINC000032781254 570799394 /nfs/dbraw/zinc/79/93/94/570799394.db2.gz NVBJTASWRPVTJU-IBGZPJMESA-N 1 0 366.461 4.173 50 0 FIAARO CCn1cc(C(=O)NCc2ccccc2C[NH+](CC)CC)c2ccccc21 ZINC000032820987 570817580 /nfs/dbraw/zinc/81/75/80/570817580.db2.gz USGCMHGFHORFDN-UHFFFAOYSA-N 1 0 363.505 4.433 50 0 FIAARO CCOC(=O)N1CCC([N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000108157371 570861426 /nfs/dbraw/zinc/86/14/26/570861426.db2.gz WSVFEFZCVUBJEG-LSDHHAIUSA-N 1 0 352.906 4.385 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)cc1OC ZINC000045004522 570904690 /nfs/dbraw/zinc/90/46/90/570904690.db2.gz KBQOFIFHYZHLDA-HXUWFJFHSA-N 1 0 363.461 4.227 50 0 FIAARO CCc1cccc(C)c1-n1nnnc1C1([NH2+]C2CCCCC2)CCCC1 ZINC000046078231 570925562 /nfs/dbraw/zinc/92/55/62/570925562.db2.gz JPYSSBJMQCQNAH-UHFFFAOYSA-N 1 0 353.514 4.225 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000048365085 570952096 /nfs/dbraw/zinc/95/20/96/570952096.db2.gz FPGIBIPZOYIMSI-OAHLLOKOSA-N 1 0 356.441 4.246 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000049795419 570966010 /nfs/dbraw/zinc/96/60/10/570966010.db2.gz NUESFRRYIPOUCW-AWEZNQCLSA-N 1 0 371.447 4.186 50 0 FIAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(OC)c1OC(F)F ZINC000025259802 570993138 /nfs/dbraw/zinc/99/31/38/570993138.db2.gz OWCSKKVTSYORBU-MRXNPFEDSA-N 1 0 363.404 4.472 50 0 FIAARO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000025436623 570995973 /nfs/dbraw/zinc/99/59/73/570995973.db2.gz LWSHQZLLZFPGNF-ZDUSSCGKSA-N 1 0 373.469 4.356 50 0 FIAARO Cc1ccc([C@H](c2ccccc2C)[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000072260011 571002191 /nfs/dbraw/zinc/00/21/91/571002191.db2.gz MQDQEOTYSYNVOD-JOCHJYFZSA-N 1 0 350.506 4.193 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)COc1cccc(C)c1)c1ccccc1Cl ZINC000027582311 571014484 /nfs/dbraw/zinc/01/44/84/571014484.db2.gz SQIQAYXAOKGZLS-HXUWFJFHSA-N 1 0 374.912 4.227 50 0 FIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000040091399 571016873 /nfs/dbraw/zinc/01/68/73/571016873.db2.gz MEOZCKUBACRDNB-UHFFFAOYSA-N 1 0 357.457 4.383 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027742405 571019574 /nfs/dbraw/zinc/01/95/74/571019574.db2.gz OFAAKRYPNOSVSR-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793040 571021312 /nfs/dbraw/zinc/02/13/12/571021312.db2.gz PGIDVVULWZZIFD-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 FIAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1ccccc1 ZINC000040150042 571023581 /nfs/dbraw/zinc/02/35/81/571023581.db2.gz NQTVBAPCJFVINA-FQEVSTJZSA-N 1 0 351.494 4.281 50 0 FIAARO C[C@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000040155711 571024444 /nfs/dbraw/zinc/02/44/44/571024444.db2.gz BPOSAIWKUDEOKF-CQSZACIVSA-N 1 0 360.860 4.321 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296097 571030771 /nfs/dbraw/zinc/03/07/71/571030771.db2.gz WNHZSBKZLOWWEK-GOSISDBHSA-N 1 0 369.852 4.028 50 0 FIAARO CSc1ccccc1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000029174914 571037552 /nfs/dbraw/zinc/03/75/52/571037552.db2.gz KPNOGQRLYFAAAM-FQEVSTJZSA-N 1 0 368.546 4.221 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cn2c3ccccc3oc2=O)cc1 ZINC000008338850 571041204 /nfs/dbraw/zinc/04/12/04/571041204.db2.gz GBULUPXKWJAEGK-SFHVURJKSA-N 1 0 352.434 4.178 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000008394075 571045156 /nfs/dbraw/zinc/04/51/56/571045156.db2.gz WGFSOWRSUJBUKD-LJQANCHMSA-N 1 0 350.506 4.199 50 0 FIAARO O=C1CCCN1Cc1ccc(-c2ccccc2C[NH2+]Cc2ccncc2)cc1 ZINC000030667588 571048829 /nfs/dbraw/zinc/04/88/29/571048829.db2.gz HLVGULNRTCOWQA-UHFFFAOYSA-N 1 0 371.484 4.161 50 0 FIAARO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533050 571049898 /nfs/dbraw/zinc/04/98/98/571049898.db2.gz JCHIQTKGYNXCAB-INIZCTEOSA-N 1 0 371.550 4.267 50 0 FIAARO Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cn1 ZINC000012746853 571066393 /nfs/dbraw/zinc/06/63/93/571066393.db2.gz CLSCXKZHJVLWNH-QHCPKHFHSA-N 1 0 369.553 4.289 50 0 FIAARO COc1cc2c(cc1CN1CC[NH+](C)CC1)oc(C)c2-c1ccccc1 ZINC000022077653 571071464 /nfs/dbraw/zinc/07/14/64/571071464.db2.gz HFOHMQCMQRWKPM-UHFFFAOYSA-N 1 0 350.462 4.164 50 0 FIAARO COc1ccc(CC[N@H+](C)Cc2ccccc2Br)cc1OC ZINC000023114695 571071560 /nfs/dbraw/zinc/07/15/60/571071560.db2.gz ZUZSXCPODCXKDM-UHFFFAOYSA-N 1 0 364.283 4.141 50 0 FIAARO CC[NH+](CC)Cc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000040086911 571073957 /nfs/dbraw/zinc/07/39/57/571073957.db2.gz CFHYOBHDTZERQM-UHFFFAOYSA-N 1 0 358.507 4.268 50 0 FIAARO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031281 571079052 /nfs/dbraw/zinc/07/90/52/571079052.db2.gz CNKFODOIXFOBPQ-QGZVFWFLSA-N 1 0 351.849 4.131 50 0 FIAARO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000040158166 571088615 /nfs/dbraw/zinc/08/86/15/571088615.db2.gz CAHJAPWKVPMERN-UHFFFAOYSA-N 1 0 367.474 4.003 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)cc1OC ZINC000229697664 571094893 /nfs/dbraw/zinc/09/48/93/571094893.db2.gz DVNWMZUTUPZTAB-ZWKOTPCHSA-N 1 0 361.869 4.228 50 0 FIAARO C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845169 571095308 /nfs/dbraw/zinc/09/53/08/571095308.db2.gz JVJPAORAUCDFDI-CVEARBPZSA-N 1 0 374.916 4.259 50 0 FIAARO Brc1ccc2c(ccc(O[C@H]3CC[NH2+]C3)c2Br)c1 ZINC000042774553 571098963 /nfs/dbraw/zinc/09/89/63/571098963.db2.gz UTFBYWWNVMSCJT-NSHDSACASA-N 1 0 371.072 4.106 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c[nH]nc21)c1ccccc1Cl ZINC000012781778 571098981 /nfs/dbraw/zinc/09/89/81/571098981.db2.gz GSYQMZCVAHUYIV-SFHVURJKSA-N 1 0 370.884 4.029 50 0 FIAARO C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 ZINC000009217519 571101260 /nfs/dbraw/zinc/10/12/60/571101260.db2.gz WKQWMPWHPGUAJV-KRWDZBQOSA-N 1 0 358.445 4.437 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000009365299 571106479 /nfs/dbraw/zinc/10/64/79/571106479.db2.gz HGMQRBGZMAMHAH-UHFFFAOYSA-N 1 0 355.240 4.124 50 0 FIAARO C(=C/c1ccccc1)\C[NH+]1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000055119206 571116417 /nfs/dbraw/zinc/11/64/17/571116417.db2.gz KFCFAXSPVJOKPK-QPJJXVBHSA-N 1 0 350.491 4.357 50 0 FIAARO C[C@@H](c1ccc(C(=O)NCCc2c[nH]c3ccccc23)o1)[NH+]1CCCCC1 ZINC000055271726 571118762 /nfs/dbraw/zinc/11/87/62/571118762.db2.gz JPKZGNRCIOTWLK-INIZCTEOSA-N 1 0 365.477 4.280 50 0 FIAARO COc1ccccc1OC[C@@H](C)[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055342073 571119473 /nfs/dbraw/zinc/11/94/73/571119473.db2.gz MJSOEZZLZLFGKG-QGZVFWFLSA-N 1 0 363.461 4.018 50 0 FIAARO O=C(Cc1c[nH]c2ccccc12)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009885338 571120501 /nfs/dbraw/zinc/12/05/01/571120501.db2.gz QKWNWCQWSUCYKQ-UHFFFAOYSA-N 1 0 353.510 4.015 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1C ZINC000012820662 571121817 /nfs/dbraw/zinc/12/18/17/571121817.db2.gz HQXICNVTSHQVAP-LBPRGKRZSA-N 1 0 364.898 4.276 50 0 FIAARO CCCC(=O)Nc1cccc(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000058145984 571125706 /nfs/dbraw/zinc/12/57/06/571125706.db2.gz CGCDRFHPITYJQX-LJQANCHMSA-N 1 0 374.529 4.057 50 0 FIAARO CCc1sc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C ZINC000058174774 571127328 /nfs/dbraw/zinc/12/73/28/571127328.db2.gz UJMBTGJHVOOHJT-SFHVURJKSA-N 1 0 356.535 4.261 50 0 FIAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccccn3)c(C(F)(F)F)c2)n1 ZINC000058213847 571129119 /nfs/dbraw/zinc/12/91/19/571129119.db2.gz WDOJYJTXIYZSHB-UHFFFAOYSA-N 1 0 360.383 4.193 50 0 FIAARO Clc1cc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)cc2c1OCCCO2 ZINC000011171234 571131028 /nfs/dbraw/zinc/13/10/28/571131028.db2.gz FOUHDBFLDFIKGS-ZIAGYGMSSA-N 1 0 352.887 4.005 50 0 FIAARO Brc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc2c1OCO2 ZINC000025259672 571142155 /nfs/dbraw/zinc/14/21/55/571142155.db2.gz YCWFQWMLWWSKPO-MRXNPFEDSA-N 1 0 360.251 4.345 50 0 FIAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093168 571154478 /nfs/dbraw/zinc/15/44/78/571154478.db2.gz JAEVPYZXJAIERU-OFNKIYASSA-N 1 0 364.533 4.160 50 0 FIAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)C1 ZINC000075093167 571154507 /nfs/dbraw/zinc/15/45/07/571154507.db2.gz JAEVPYZXJAIERU-REWPJTCUSA-N 1 0 364.533 4.160 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1F)c1csc2ccccc21 ZINC000575622576 571173240 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COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000003281921 571179014 /nfs/dbraw/zinc/17/90/14/571179014.db2.gz TYFMPWIEGJUEOO-LBPRGKRZSA-N 1 0 367.276 4.161 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044225440 571184281 /nfs/dbraw/zinc/18/42/81/571184281.db2.gz RSNTWSUOUOVUNP-JOCHJYFZSA-N 1 0 373.500 4.378 50 0 FIAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+](C)C)c3ccccc3n2)cc1C ZINC000003634351 571186441 /nfs/dbraw/zinc/18/64/41/571186441.db2.gz GMYFBBZUAOXQPR-UHFFFAOYSA-N 1 0 361.489 4.200 50 0 FIAARO O=C(CCc1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044466202 571186734 /nfs/dbraw/zinc/18/67/34/571186734.db2.gz NAYFGAKQUXKZHE-UHFFFAOYSA-N 1 0 362.926 4.115 50 0 FIAARO C[C@@H](CCO)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072431200 571195698 /nfs/dbraw/zinc/19/56/98/571195698.db2.gz AEBYKSLEJXVUQX-KRWDZBQOSA-N 1 0 355.526 4.338 50 0 FIAARO C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072473930 571198551 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O[C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccc(F)cc1 ZINC000237972200 571277428 /nfs/dbraw/zinc/27/74/28/571277428.db2.gz XPLAOEAHBSHWKN-JOCHJYFZSA-N 1 0 351.421 4.228 50 0 FIAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2ccccc2n1Cc1ccccc1 ZINC000252510630 571281540 /nfs/dbraw/zinc/28/15/40/571281540.db2.gz AYMDAKIPQXELNI-RTWAWAEBSA-N 1 0 373.500 4.046 50 0 FIAARO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000252515317 571281950 /nfs/dbraw/zinc/28/19/50/571281950.db2.gz IJHVLCIAAVQMDJ-HZPDHXFCSA-N 1 0 372.431 4.306 50 0 FIAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)Nc1ccccc1Cl ZINC000252536606 571282856 /nfs/dbraw/zinc/28/28/56/571282856.db2.gz IYPPIOWZSKNGTK-UHFFFAOYSA-N 1 0 367.946 4.069 50 0 FIAARO Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)NC3CC3)c2cc1C ZINC000037398016 571284560 /nfs/dbraw/zinc/28/45/60/571284560.db2.gz LTCKSDVARPBANQ-UHFFFAOYSA-N 1 0 367.880 4.176 50 0 FIAARO CCCNC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547413 571287699 /nfs/dbraw/zinc/28/76/99/571287699.db2.gz 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ZINC000095454276 571329948 /nfs/dbraw/zinc/32/99/48/571329948.db2.gz GUPKYCJEUCKJDY-HNNXBMFYSA-N 1 0 372.519 4.296 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 ZINC000095454781 571330064 /nfs/dbraw/zinc/33/00/64/571330064.db2.gz BFKDPALVEXNKLX-INIZCTEOSA-N 1 0 352.409 4.419 50 0 FIAARO CCOC(=O)N1CCC([N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000095457128 571330114 /nfs/dbraw/zinc/33/01/14/571330114.db2.gz WSVFEFZCVUBJEG-HUUCEWRRSA-N 1 0 352.906 4.385 50 0 FIAARO C[C@H]([NH2+]C1(CNc2nc3ccccc3o2)CCOCC1)c1ccccc1 ZINC000095959199 571332971 /nfs/dbraw/zinc/33/29/71/571332971.db2.gz ISSCSADHZWUGBC-INIZCTEOSA-N 1 0 351.450 4.140 50 0 FIAARO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000095988230 571333436 /nfs/dbraw/zinc/33/34/36/571333436.db2.gz BVEYUJHFXOYVMI-WBVHZDCISA-N 1 0 368.315 4.050 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1C ZINC000003049966 571344151 /nfs/dbraw/zinc/34/41/51/571344151.db2.gz KOJCLNXNQYHPHL-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003206344 571345526 /nfs/dbraw/zinc/34/55/26/571345526.db2.gz XIAOEYNSXORRSX-CXAGYDPISA-N 1 0 363.527 4.399 50 0 FIAARO COc1ccc(CC[N@H+](C)Cn2c3ccccc3oc2=S)cc1OC ZINC000003258727 571346265 /nfs/dbraw/zinc/34/62/65/571346265.db2.gz AKRWRJQIPHUBEA-UHFFFAOYSA-N 1 0 358.463 4.113 50 0 FIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000003384426 571348811 /nfs/dbraw/zinc/34/88/11/571348811.db2.gz UTGOQXNLNILSOL-HXUWFJFHSA-N 1 0 351.446 4.030 50 0 FIAARO Cc1ccccc1NC(=S)N(CCC[NH+]1CCCC1)Cc1ccco1 ZINC000003662241 571352069 /nfs/dbraw/zinc/35/20/69/571352069.db2.gz DGGIKMSPZWKDIW-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO Cc1ccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)cc1 ZINC000003665460 571352107 /nfs/dbraw/zinc/35/21/07/571352107.db2.gz CYAKFIDJSTUKJK-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO Cc1c(Cl)cccc1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000003665427 571352108 /nfs/dbraw/zinc/35/21/08/571352108.db2.gz HHDSOZRGYIPBKX-UHFFFAOYSA-N 1 0 367.971 4.471 50 0 FIAARO COc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011659 571358460 /nfs/dbraw/zinc/35/84/60/571358460.db2.gz UMFMPPBHDWEYEG-UHFFFAOYSA-N 1 0 374.484 4.374 50 0 FIAARO Cc1c2ccccc2sc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000008071495 571358704 /nfs/dbraw/zinc/35/87/04/571358704.db2.gz CGHGTUKPCICDAQ-MRXNPFEDSA-N 1 0 354.475 4.370 50 0 FIAARO CCOc1ccc2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[nH]c2c1 ZINC000177230913 1081197423 /nfs/dbraw/zinc/19/74/23/1081197423.db2.gz XTFWLOSIQCSQIM-UHFFFAOYSA-N 1 0 369.509 4.094 50 0 FIAARO Cc1cccc(OC(F)F)c1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177614337 1081255135 /nfs/dbraw/zinc/25/51/35/1081255135.db2.gz LQNAQAWWMLKVAV-AWEZNQCLSA-N 1 0 352.425 4.190 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000045462660 1085540891 /nfs/dbraw/zinc/54/08/91/1085540891.db2.gz ZWDNPJZSPBPVCJ-CQSZACIVSA-N 1 0 371.447 4.186 50 0 FIAARO Cc1ccc(C[N@@H+]2C[C@H](COc3cccnc3)C3(C2)CCOCC3)c(C)c1 ZINC000257175399 1090248758 /nfs/dbraw/zinc/24/87/58/1090248758.db2.gz OWZPMPYITBISSI-OAQYLSRUSA-N 1 0 366.505 4.006 50 0 FIAARO CC[NH+](CC)C/C=C\c1c(F)c(F)c(NC[C@H]2CCCO2)c(F)c1F ZINC000006470078 1090791443 /nfs/dbraw/zinc/79/14/43/1090791443.db2.gz ZFHMXJQVTWJMTK-VVEJJEBESA-N 1 0 360.395 4.189 50 0 FIAARO O=C1CCC2(CC[NH+](Cc3cccs3)CC2)N1Cc1ccc(F)cc1 ZINC000675017010 1090900180 /nfs/dbraw/zinc/90/01/80/1090900180.db2.gz OJURHTRWTGIZMG-UHFFFAOYSA-N 1 0 358.482 4.044 50 0 FIAARO Cc1ccccc1NC(=O)CC[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000252479915 1093609608 /nfs/dbraw/zinc/60/96/08/1093609608.db2.gz BPWHEUYPWZLXQM-UHFFFAOYSA-N 1 0 370.884 4.028 50 0 FIAARO Brc1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000023279955 1102532259 /nfs/dbraw/zinc/53/22/59/1102532259.db2.gz MRKRILAVABQQSA-UHFFFAOYSA-N 1 0 373.338 4.246 50 0 FIAARO Cc1nc(-c2noc([C@@H](C)[NH+]3CCC(Cc4ccccc4)CC3)n2)co1 ZINC000809507513 1103772910 /nfs/dbraw/zinc/77/29/10/1103772910.db2.gz GAVBHDIIYWBAQM-CQSZACIVSA-N 1 0 352.438 4.049 50 0 FIAARO Cc1nc(-c2noc([C@H](C)[NH+]3CCC(Cc4ccccc4)CC3)n2)co1 ZINC000809507512 1103773630 /nfs/dbraw/zinc/77/36/30/1103773630.db2.gz GAVBHDIIYWBAQM-AWEZNQCLSA-N 1 0 352.438 4.049 50 0 FIAARO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC2(O)CCC2)CCC3)cc1 ZINC000793565469 1113308366 /nfs/dbraw/zinc/30/83/66/1113308366.db2.gz PYRHJKDJARBSLL-MRXNPFEDSA-N 1 0 358.507 4.091 50 0 FIAARO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](C2CCCCC2)C1)N1CCCC1 ZINC000169765078 1115681623 /nfs/dbraw/zinc/68/16/23/1115681623.db2.gz PXPXCXBGDCVHJW-LJQANCHMSA-N 1 0 370.537 4.346 50 0 FIAARO Cc1ccc(C[NH+](C)C)cc1NC1CCC2(CC1)c1ccccc1NC2=O ZINC000179990356 1124183031 /nfs/dbraw/zinc/18/30/31/1124183031.db2.gz TWPHZJWBXBKIJQ-UHFFFAOYSA-N 1 0 363.505 4.301 50 0 FIAARO C[C@@H](NCc1ncc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1 ZINC000180247605 1124273100 /nfs/dbraw/zinc/27/31/00/1124273100.db2.gz YJIZNOFILDOFBQ-GFCCVEGCSA-N 1 0 364.276 4.366 50 0 FIAARO O=C(/C=C/c1c[nH]c2ccccc12)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011770966 1125088119 /nfs/dbraw/zinc/08/81/19/1125088119.db2.gz INBRAZJSJGRQGE-JNCYCUAHSA-N 1 0 373.500 4.004 50 0 FIAARO CCCc1nc2cccnc2n1C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000011789700 1125113101 /nfs/dbraw/zinc/11/31/01/1125113101.db2.gz DIIRBDQVJFMCPW-UHFFFAOYSA-N 1 0 370.447 4.499 50 0 FIAARO COCC[NH2+]Cc1cc2cc(C)ccc2nc1OCc1ccccc1C ZINC000011841940 1125221925 /nfs/dbraw/zinc/22/19/25/1125221925.db2.gz KEBYVOWCDUKMDG-UHFFFAOYSA-N 1 0 350.462 4.167 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)c(OC)c1 ZINC000034873462 210259244 /nfs/dbraw/zinc/25/92/44/210259244.db2.gz BUCVHRHBRHOFOU-OALUTQOASA-N 1 0 361.869 4.228 50 0 FIAARO O=C(c1ccccc1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698198 210248322 /nfs/dbraw/zinc/24/83/22/210248322.db2.gz BEOOZJXLEMYVEV-IFMALSPDSA-N 1 0 366.480 4.167 50 0 FIAARO CC[NH2+]CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000033497425 210246125 /nfs/dbraw/zinc/24/61/25/210246125.db2.gz FESFVHJCEOTYDL-KDDUWBTKSA-N 1 0 373.500 4.419 50 0 FIAARO OC1(c2cccnc2)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000216519005 222666689 /nfs/dbraw/zinc/66/66/89/222666689.db2.gz DFOXGBPBNRLHAM-UHFFFAOYSA-N 1 0 358.485 4.197 50 0 FIAARO COc1ccccc1Oc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000299788047 210028714 /nfs/dbraw/zinc/02/87/14/210028714.db2.gz VYIOMJDIXRGFLQ-INIZCTEOSA-N 1 0 369.465 4.093 50 0 FIAARO O=C(c1cccc(-c2ccc(Cl)cc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000299779445 210023896 /nfs/dbraw/zinc/02/38/96/210023896.db2.gz VQLBVOSGIHPNGD-UHFFFAOYSA-N 1 0 354.881 4.175 50 0 FIAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000299770347 210017826 /nfs/dbraw/zinc/01/78/26/210017826.db2.gz QEFZNIZFGKNQPO-INIZCTEOSA-N 1 0 352.453 4.192 50 0 FIAARO Cc1scc(CCNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000299764087 210012383 /nfs/dbraw/zinc/01/23/83/210012383.db2.gz RVBIJJKOHWORRV-UHFFFAOYSA-N 1 0 370.562 4.326 50 0 FIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(OCc3cccs3)cc1)C2 ZINC000299759831 210010549 /nfs/dbraw/zinc/01/05/49/210010549.db2.gz NVEGMHBIEASWRO-DLBZAZTESA-N 1 0 371.506 4.028 50 0 FIAARO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000004891786 219620930 /nfs/dbraw/zinc/62/09/30/219620930.db2.gz SNJMSQYGFXZOIJ-UHFFFAOYSA-N 1 0 355.356 4.021 50 0 FIAARO CC(C)c1ccc(-c2csc3ncn(CCC[NH+](C)C)c(=O)c23)cc1 ZINC000007996762 219841433 /nfs/dbraw/zinc/84/14/33/219841433.db2.gz RGYPPUFFZJIQEL-UHFFFAOYSA-N 1 0 355.507 4.200 50 0 FIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590803 212040817 /nfs/dbraw/zinc/04/08/17/212040817.db2.gz DSXVEIARIRILAI-UHFFFAOYSA-N 1 0 355.869 4.069 50 0 FIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccccc1 ZINC000012715215 220020879 /nfs/dbraw/zinc/02/08/79/220020879.db2.gz MPNIJWTUFIEKDN-HXUWFJFHSA-N 1 0 368.496 4.243 50 0 FIAARO CSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000058428234 212010196 /nfs/dbraw/zinc/01/01/96/212010196.db2.gz NVVREEQBHOVIDW-UHFFFAOYSA-N 1 0 355.935 4.304 50 0 FIAARO Cc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)c1 ZINC000013324861 220064027 /nfs/dbraw/zinc/06/40/27/220064027.db2.gz XMWXCCBVLDRBJT-UHFFFAOYSA-N 1 0 359.857 4.125 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000015837032 220168039 /nfs/dbraw/zinc/16/80/39/220168039.db2.gz PWYCTGMKCSLZLW-SFHVURJKSA-N 1 0 357.450 4.058 50 0 FIAARO ClC(Cl)=C1NC(c2ccccc2)=[NH+]CCc2nc3ccccc3n21 ZINC000041097545 211769926 /nfs/dbraw/zinc/76/99/26/211769926.db2.gz OJLRZNBNNKTOGO-UHFFFAOYSA-N 1 0 357.244 4.190 50 0 FIAARO C[C@H]1CCc2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000017362880 220215209 /nfs/dbraw/zinc/21/52/09/220215209.db2.gz SOBCWJYTJRLCNZ-INIZCTEOSA-N 1 0 368.546 4.267 50 0 FIAARO COc1ccc(NC(=S)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000036847606 211676779 /nfs/dbraw/zinc/67/67/79/211676779.db2.gz IWTYUMYGVLHERM-UHFFFAOYSA-N 1 0 357.523 4.022 50 0 FIAARO O=c1cc(-c2ccc(F)cc2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000023540820 211390883 /nfs/dbraw/zinc/39/08/83/211390883.db2.gz GYYHAZXZNLWUNK-UHFFFAOYSA-N 1 0 363.436 4.229 50 0 FIAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000023374272 211388187 /nfs/dbraw/zinc/38/81/87/211388187.db2.gz SMIFPLDVKCRTIU-QGZVFWFLSA-N 1 0 361.489 4.453 50 0 FIAARO Cc1cc(C[N@@H+](C)C2CCN(c3ccc(-c4ccco4)cc3)CC2)on1 ZINC000023368445 211385859 /nfs/dbraw/zinc/38/58/59/211385859.db2.gz OFXJMUWNAMIZPN-UHFFFAOYSA-N 1 0 351.450 4.344 50 0 FIAARO c1coc(-c2cc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)no2)c1 ZINC000022790456 211363615 /nfs/dbraw/zinc/36/36/15/211363615.db2.gz BZMMOIYUOSVGRY-UHFFFAOYSA-N 1 0 373.456 4.406 50 0 FIAARO CC(C)[NH+](CCNC(=O)c1ccc(C2SCCCS2)cc1)C(C)C ZINC000022623220 211359182 /nfs/dbraw/zinc/35/91/82/211359182.db2.gz FLWJYCVURDZNPK-UHFFFAOYSA-N 1 0 366.596 4.404 50 0 FIAARO COC(=O)c1ccc2c(c1)[N+](C)=C(/C=C/c1ccc(OC)cc1)C2(C)C ZINC000020070364 211266800 /nfs/dbraw/zinc/26/68/00/211266800.db2.gz RJLDTRQOEKGKKZ-MDWZMJQESA-N 1 0 350.438 4.201 50 0 FIAARO CCCC(CCC)C(=O)Nc1ccc(C(=O)OCC[NH+](CC)CC)cc1 ZINC000019897700 211260514 /nfs/dbraw/zinc/26/05/14/211260514.db2.gz BBBLBWSGFUMKGQ-UHFFFAOYSA-N 1 0 362.514 4.340 50 0 FIAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865483 211258658 /nfs/dbraw/zinc/25/86/58/211258658.db2.gz VFZCHBMRNKYGDO-QFIPXVFZSA-N 1 0 362.517 4.343 50 0 FIAARO Cc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000019841211 211257181 /nfs/dbraw/zinc/25/71/81/211257181.db2.gz FZNNXZRSHYKLHX-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO C/C(=C\C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019358623 211219067 /nfs/dbraw/zinc/21/90/67/211219067.db2.gz RLDFWCMFPTXJHS-BMRADRMJSA-N 1 0 369.896 4.000 50 0 FIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000019222930 211206182 /nfs/dbraw/zinc/20/61/82/211206182.db2.gz OOKMUWRRFRJRIZ-INIZCTEOSA-N 1 0 369.900 4.152 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607152 211164609 /nfs/dbraw/zinc/16/46/09/211164609.db2.gz XAHLYBZLHNHUJQ-UHFFFAOYSA-N 1 0 358.869 4.199 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860033 211148419 /nfs/dbraw/zinc/14/84/19/211148419.db2.gz HCSQJABJPMERJZ-LJQANCHMSA-N 1 0 356.466 4.024 50 0 FIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000015679755 211137023 /nfs/dbraw/zinc/13/70/23/211137023.db2.gz DWBHSFSICONTDX-UHFFFAOYSA-N 1 0 373.522 4.275 50 0 FIAARO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1 ZINC000015077740 211121480 /nfs/dbraw/zinc/12/14/80/211121480.db2.gz VWHZEUTVHRLOAQ-LITJJNJMSA-N 1 0 353.550 4.437 50 0 FIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000015073722 211119789 /nfs/dbraw/zinc/11/97/89/211119789.db2.gz PQEGTXWKESAGRY-GOSISDBHSA-N 1 0 370.880 4.393 50 0 FIAARO O=C(c1ccc(OC2CC[NH+](C3CCCCC3)CC2)cc1)N1CCCCC1 ZINC000015073425 211118945 /nfs/dbraw/zinc/11/89/45/211118945.db2.gz IXZASICKPIBOMV-UHFFFAOYSA-N 1 0 370.537 4.489 50 0 FIAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000015069144 211117101 /nfs/dbraw/zinc/11/71/01/211117101.db2.gz BLFKYZKXCOZFLP-OAQYLSRUSA-N 1 0 372.896 4.123 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000014974597 211111528 /nfs/dbraw/zinc/11/15/28/211111528.db2.gz UPVKUTYXLSEWFS-OAHLLOKOSA-N 1 0 362.445 4.189 50 0 FIAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000014949029 211106643 /nfs/dbraw/zinc/10/66/43/211106643.db2.gz HHHOJEMYGPTUSW-SFHVURJKSA-N 1 0 371.440 4.471 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014185046 211082568 /nfs/dbraw/zinc/08/25/68/211082568.db2.gz ISFZPXFFPNPHLT-UHFFFAOYSA-N 1 0 352.265 4.377 50 0 FIAARO O=C([C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1)N1CCCCC1 ZINC000014139085 211076423 /nfs/dbraw/zinc/07/64/23/211076423.db2.gz WBUKZVONPXPPGN-QFIPXVFZSA-N 1 0 361.489 4.054 50 0 FIAARO Cc1csc2nc(C[NH2+][C@H](c3ccc(Cl)cc3)C(C)C)cc(=O)n12 ZINC000014084439 211071098 /nfs/dbraw/zinc/07/10/98/211071098.db2.gz JTVZZHSJTJBUOO-KRWDZBQOSA-N 1 0 361.898 4.205 50 0 FIAARO COc1cccc([C@H](CNC(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000012998753 211016336 /nfs/dbraw/zinc/01/63/36/211016336.db2.gz UDSRCOQQMUTPEJ-IBGZPJMESA-N 1 0 373.884 4.307 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000012919058 211006671 /nfs/dbraw/zinc/00/66/71/211006671.db2.gz PSRYJYVSWRGNML-JOCHJYFZSA-N 1 0 363.505 4.028 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000012581120 210972200 /nfs/dbraw/zinc/97/22/00/210972200.db2.gz JATYSRZPGPQCQP-INIZCTEOSA-N 1 0 354.498 4.112 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccoc1 ZINC000011998763 210906802 /nfs/dbraw/zinc/90/68/02/210906802.db2.gz DOVQMFQNOFDFMG-UHFFFAOYSA-N 1 0 354.494 4.005 50 0 FIAARO O=C(c1cscn1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000011815101 210895916 /nfs/dbraw/zinc/89/59/16/210895916.db2.gz JZMKQHFPSYLTAL-HXUWFJFHSA-N 1 0 361.555 4.042 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)c2ccccc2n1C ZINC000011662681 210888704 /nfs/dbraw/zinc/88/87/04/210888704.db2.gz QNBWWWPZFLXGFA-IBGZPJMESA-N 1 0 367.537 4.101 50 0 FIAARO Fc1ccc(-n2c(SCC[NH+]3CCCC3)nnc2-c2ccccc2)cc1 ZINC000009378776 210831031 /nfs/dbraw/zinc/83/10/31/210831031.db2.gz TXRCSZRSSNAEBP-UHFFFAOYSA-N 1 0 368.481 4.261 50 0 FIAARO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000007546219 210744084 /nfs/dbraw/zinc/74/40/84/210744084.db2.gz UWIONZDQQKLGDV-RKTOFFCOSA-N 1 0 352.522 4.201 50 0 FIAARO Clc1ccc([C@@H](CC[NH2+]CCCN2CCOCC2)c2ccccc2)cc1 ZINC000006760276 210697499 /nfs/dbraw/zinc/69/74/99/210697499.db2.gz CUFUJSJAAHFSAO-QFIPXVFZSA-N 1 0 372.940 4.174 50 0 FIAARO C[NH+](C)CCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000002350990 210393116 /nfs/dbraw/zinc/39/31/16/210393116.db2.gz JMOFBGHOYQUSHG-UHFFFAOYSA-N 1 0 351.498 4.057 50 0 FIAARO Cc1cccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000001250557 210339797 /nfs/dbraw/zinc/33/97/97/210339797.db2.gz PFYXKGWRNAYAQO-QHCPKHFHSA-N 1 0 361.485 4.437 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000030555723 220621446 /nfs/dbraw/zinc/62/14/46/220621446.db2.gz FDQCXOXJVOUFKV-UHFFFAOYSA-N 1 0 362.395 4.231 50 0 FIAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000042209286 220936514 /nfs/dbraw/zinc/93/65/14/220936514.db2.gz XGUGEYUUQDJLJP-UHFFFAOYSA-N 1 0 358.482 4.045 50 0 FIAARO C[C@@H]1CCCN(c2ccc(-c3noc(C[N@H+](C)C4CCCCC4)n3)cn2)C1 ZINC000065216016 221181916 /nfs/dbraw/zinc/18/19/16/221181916.db2.gz PYAUJXALCYPZJF-MRXNPFEDSA-N 1 0 369.513 4.132 50 0 FIAARO Cc1ccc(SCc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000065362155 221202567 /nfs/dbraw/zinc/20/25/67/221202567.db2.gz VTVOAPJYLKIXEF-UHFFFAOYSA-N 1 0 354.519 4.111 50 0 FIAARO CCC[NH+]1CCC(n2cnc(-c3ccccc3)c2CCn2cccn2)CC1 ZINC000065393375 221209424 /nfs/dbraw/zinc/20/94/24/221209424.db2.gz NZTFZDVYSHPLFH-UHFFFAOYSA-N 1 0 363.509 4.036 50 0 FIAARO CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@@H](C)C[N@H+](C)CC ZINC000065425729 221217421 /nfs/dbraw/zinc/21/74/21/221217421.db2.gz NKLWIFGIRHJNON-KRWDZBQOSA-N 1 0 351.498 4.021 50 0 FIAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065554358 221233796 /nfs/dbraw/zinc/23/37/96/221233796.db2.gz ROCKRECNTRVANF-CEWLAPEOSA-N 1 0 357.519 4.340 50 0 FIAARO CCn1ccnc1-c1c(-c2ccccc2)ncn1C[C@H]1CCCC[N@@H+]1CC ZINC000065529917 221231749 /nfs/dbraw/zinc/23/17/49/221231749.db2.gz LYMSNPLIILFRIZ-LJQANCHMSA-N 1 0 363.509 4.308 50 0 FIAARO O=C(Nc1ccnn1C1CC[NH+](CC2CCC2)CC1)c1ccccc1Cl ZINC000067457770 221254906 /nfs/dbraw/zinc/25/49/06/221254906.db2.gz DQPCSBSTWDCTEM-UHFFFAOYSA-N 1 0 372.900 4.226 50 0 FIAARO OC[C@]1(Cc2ccc(F)cc2F)CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000067560633 221259577 /nfs/dbraw/zinc/25/95/77/221259577.db2.gz VSBGPMTUCQOAJQ-QFIPXVFZSA-N 1 0 368.427 4.335 50 0 FIAARO O=C(Nc1nccs1)c1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000067840523 221292624 /nfs/dbraw/zinc/29/26/24/221292624.db2.gz ZLUDSEIESBQWSG-SFHVURJKSA-N 1 0 364.474 4.128 50 0 FIAARO OCCCC[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067821403 221291102 /nfs/dbraw/zinc/29/11/02/221291102.db2.gz OTFPUYAGRWXFKP-UHFFFAOYSA-N 1 0 369.486 4.241 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)cn1 ZINC000071404172 221346235 /nfs/dbraw/zinc/34/62/35/221346235.db2.gz UAFMMLXYSHPTNP-HNNXBMFYSA-N 1 0 351.416 4.284 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071748161 221359588 /nfs/dbraw/zinc/35/95/88/221359588.db2.gz OOWILWJSTVTCIT-MRXNPFEDSA-N 1 0 374.479 4.420 50 0 FIAARO C[NH+](C)CCCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071712014 221355872 /nfs/dbraw/zinc/35/58/72/221355872.db2.gz FYPUSNIXNNVAAJ-INIZCTEOSA-N 1 0 370.459 4.218 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071712203 221355893 /nfs/dbraw/zinc/35/58/93/221355893.db2.gz RVCUNLGSWYFSAO-SFHVURJKSA-N 1 0 356.489 4.282 50 0 FIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000007268304 132259145 /nfs/dbraw/zinc/25/91/45/132259145.db2.gz MYMGFTBVNTYNRX-UHFFFAOYSA-N 1 0 359.473 4.234 50 0 FIAARO C[C@H]1C[C@H](C)CN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)C1 ZINC000001130484 132380277 /nfs/dbraw/zinc/38/02/77/132380277.db2.gz ZPPPJFXHLVGGCO-KBPBESRZSA-N 1 0 355.873 4.010 50 0 FIAARO O[C@H](C[NH2+]Cc1ccco1)CN1c2ccccc2Sc2ccccc21 ZINC000002551502 132383690 /nfs/dbraw/zinc/38/36/90/132383690.db2.gz ZCLJBMYIKYDEFB-OAHLLOKOSA-N 1 0 352.459 4.033 50 0 FIAARO Cc1ccccc1-c1cccc(N2CCC([N@@H+]3CCCN(C)CC3)CC2)c1 ZINC000055153628 136126101 /nfs/dbraw/zinc/12/61/01/136126101.db2.gz RADGXRWYCKFCBT-UHFFFAOYSA-N 1 0 363.549 4.268 50 0 FIAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCC2(CCc3ccccc32)CC1 ZINC000095373181 221875625 /nfs/dbraw/zinc/87/56/25/221875625.db2.gz JCWOGWGVNYEARI-QFIPXVFZSA-N 1 0 374.528 4.274 50 0 FIAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)CC1 ZINC000095382407 221886979 /nfs/dbraw/zinc/88/69/79/221886979.db2.gz WEJKUXHGSRMALF-HXUWFJFHSA-N 1 0 371.912 4.061 50 0 FIAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C2CC2)C2CCCC2)CC1 ZINC000095516763 221941392 /nfs/dbraw/zinc/94/13/92/221941392.db2.gz YFEPOICERJCRDS-UHFFFAOYSA-N 1 0 368.565 4.431 50 0 FIAARO COc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c(F)c1 ZINC000096131155 222036850 /nfs/dbraw/zinc/03/68/50/222036850.db2.gz XVOKQGIKNPDFBJ-FQEVSTJZSA-N 1 0 371.456 4.183 50 0 FIAARO CN(C(=O)Nc1ccc2scnc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096136313 222039172 /nfs/dbraw/zinc/03/91/72/222039172.db2.gz TZUKVQJEQCGVNI-QGZVFWFLSA-N 1 0 366.490 4.035 50 0 FIAARO CC[NH+]1CCC(N(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000096133880 222039619 /nfs/dbraw/zinc/03/96/19/222039619.db2.gz GACAZAGHXDTHBF-YWEYNIOJSA-N 1 0 367.320 4.482 50 0 FIAARO CCOc1cc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971435 222146501 /nfs/dbraw/zinc/14/65/01/222146501.db2.gz GITJIQDMVLTHPX-GOSISDBHSA-N 1 0 362.901 4.140 50 0 FIAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)cc1Cl ZINC000097082218 222157227 /nfs/dbraw/zinc/15/72/27/222157227.db2.gz PITJSIYFBMZVMN-OAHLLOKOSA-N 1 0 368.868 4.123 50 0 FIAARO CCCC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097272499 222171833 /nfs/dbraw/zinc/17/18/33/222171833.db2.gz HIMZHBRCANFUTM-IBGZPJMESA-N 1 0 355.482 4.274 50 0 FIAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(OCC)cc2C(F)(F)F)CC1 ZINC000097595727 222195891 /nfs/dbraw/zinc/19/58/91/222195891.db2.gz XOYNDWKTSMQTDK-UHFFFAOYSA-N 1 0 373.419 4.100 50 0 FIAARO CC(C)c1noc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000106948221 222390881 /nfs/dbraw/zinc/39/08/81/222390881.db2.gz MNJOJZDWXXYSFN-LJQANCHMSA-N 1 0 374.504 4.065 50 0 FIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000020153969 263379242 /nfs/dbraw/zinc/37/92/42/263379242.db2.gz YJCNXTICFCJHSA-UHFFFAOYSA-N 1 0 372.900 4.122 50 0 aggregator FIAARO Cc1ccc(F)cc1-c1cccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000426428278 263587589 /nfs/dbraw/zinc/58/75/89/263587589.db2.gz KGXHJGQTLPNEGH-UHFFFAOYSA-N 1 0 352.453 4.017 50 0 FIAARO O=C(c1ccc(-c2cnc3ccccc3c2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000426668954 263654201 /nfs/dbraw/zinc/65/42/01/263654201.db2.gz GXUFTJGBWHTJIW-QFIPXVFZSA-N 1 0 371.484 4.212 50 0 FIAARO CCCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000089954814 520886609 /nfs/dbraw/zinc/88/66/09/520886609.db2.gz CSPXWZBTQINIID-PXNSSMCTSA-N 1 0 361.530 4.368 50 0 FIAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(SC3CCCCC3)o2)C[C@H]1C ZINC000091535800 522004927 /nfs/dbraw/zinc/00/49/27/522004927.db2.gz QUCXXQRNAMLVRT-OXQOHEQNSA-N 1 0 367.555 4.314 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020137564 523350325 /nfs/dbraw/zinc/35/03/25/523350325.db2.gz GSDYJHPGXGKLFL-QFIPXVFZSA-N 1 0 360.505 4.173 50 0 FIAARO Cc1ccsc1[C@H](CNC(=O)c1cc(C)nc2c(C)cccc12)[NH+](C)C ZINC000082127528 525889415 /nfs/dbraw/zinc/88/94/15/525889415.db2.gz HGRYMLHBRNWJBS-SFHVURJKSA-N 1 0 367.518 4.254 50 0 FIAARO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC000216465680 525952993 /nfs/dbraw/zinc/95/29/93/525952993.db2.gz IUBDCYLPJXUWAA-UHFFFAOYSA-N 1 0 353.441 4.192 50 0 FIAARO CSc1ccc(C[N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000239425739 525987619 /nfs/dbraw/zinc/98/76/19/525987619.db2.gz VEAFCFXDONUIOT-UGKGYDQZSA-N 1 0 371.546 4.295 50 0 FIAARO Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)Cc3cccc(Cl)c3)cc2)n1 ZINC000020868890 526118127 /nfs/dbraw/zinc/11/81/27/526118127.db2.gz KVXHGIJIZQCRAQ-UHFFFAOYSA-N 1 0 353.853 4.031 50 0 FIAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000012585705 526316378 /nfs/dbraw/zinc/31/63/78/526316378.db2.gz WXSYOOSAMHSUOR-UHFFFAOYSA-N 1 0 358.420 4.363 50 0 FIAARO Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000089585396 526745108 /nfs/dbraw/zinc/74/51/08/526745108.db2.gz KVUJUWUZZUDQGV-UHFFFAOYSA-N 1 0 369.490 4.263 50 0 FIAARO O=C(COc1ccccc1C[NH2+]CCc1ccccc1)Nc1ccccc1 ZINC000020638411 526988216 /nfs/dbraw/zinc/98/82/16/526988216.db2.gz GKBMVHUVAXVLBO-UHFFFAOYSA-N 1 0 360.457 4.036 50 0 FIAARO Cc1ccc(SCCN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000215640215 568081337 /nfs/dbraw/zinc/08/13/37/568081337.db2.gz SRAWZZSWGQUKIW-FQEVSTJZSA-N 1 0 368.546 4.326 50 0 FIAARO FC(F)(F)c1cccc(Oc2ncccc2C[NH2+]C2CCOCC2)c1 ZINC000012308162 568120256 /nfs/dbraw/zinc/12/02/56/568120256.db2.gz MRKNIIULURNPAW-UHFFFAOYSA-N 1 0 352.356 4.161 50 0 FIAARO c1cc(-c2ccc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)s2)n[nH]1 ZINC000216445767 568123682 /nfs/dbraw/zinc/12/36/82/568123682.db2.gz QEMUBDZNWQTSJL-UHFFFAOYSA-N 1 0 363.490 4.394 50 0 FIAARO [NH3+]C1CC(c2cc(NCc3ccc(-c4ccccc4Cl)o3)ncn2)C1 ZINC000219369757 568294229 /nfs/dbraw/zinc/29/42/29/568294229.db2.gz BNPIQLCHLLDXRN-UHFFFAOYSA-N 1 0 354.841 4.207 50 0 FIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 ZINC000091876994 570441609 /nfs/dbraw/zinc/44/16/09/570441609.db2.gz IXCHDXCXJPFQQK-IBGZPJMESA-N 1 0 355.551 4.235 50 0 FIAARO CC(C)[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)C[C@H]1[NH+](C)C ZINC000095502531 570463201 /nfs/dbraw/zinc/46/32/01/570463201.db2.gz SMMUZUDGQFFMKS-PZJWPPBQSA-N 1 0 360.505 4.319 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cc[nH]c1C ZINC000095530035 570470091 /nfs/dbraw/zinc/47/00/91/570470091.db2.gz UUWPGFWYMAWPHL-UHFFFAOYSA-N 1 0 367.537 4.048 50 0 FIAARO CCOC(=O)c1ccccc1C(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515497 570523602 /nfs/dbraw/zinc/52/36/02/570523602.db2.gz KONINNGYORTZQB-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO O[C@@H](Cn1c2ccccc2c2ccccc21)C[n+]1cccc2ccccc21 ZINC000002581653 570525785 /nfs/dbraw/zinc/52/57/85/570525785.db2.gz POQKFFNMUPZZRK-LJQANCHMSA-N 1 0 353.445 4.296 50 0 FIAARO Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-[n+]3ccccc3)n2)cc1 ZINC000004869532 570552975 /nfs/dbraw/zinc/55/29/75/570552975.db2.gz LFJQNEUXWMUOCC-UHFFFAOYSA-N 1 0 369.452 4.252 50 0 FIAARO CCCC[NH2+]C[C@@H]1[C@@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992283 570572761 /nfs/dbraw/zinc/57/27/61/570572761.db2.gz BPPZVGTWBJTIAC-WOJBJXKFSA-N 1 0 372.896 4.201 50 0 FIAARO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000004302758 570584024 /nfs/dbraw/zinc/58/40/24/570584024.db2.gz MFTNWRFCFFYOAH-UHFFFAOYSA-N 1 0 363.436 4.311 50 0 FIAARO COc1cc(OC)c(OC)cc1C[NH2+]CC1(c2ccccc2)CCCC1 ZINC000004837745 570609548 /nfs/dbraw/zinc/60/95/48/570609548.db2.gz KLCKOGHCGBGGCU-UHFFFAOYSA-N 1 0 355.478 4.314 50 0 FIAARO COc1cc(Cl)c(C(=O)Nc2cccc(-c3nccn3C)c2)cc1OC ZINC000131717016 570617840 /nfs/dbraw/zinc/61/78/40/570617840.db2.gz QNQUSDZKSTYXAL-UHFFFAOYSA-N 1 0 371.824 4.010 50 0 FIAARO Cc1cccc([C@@H](O)C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000133602279 570618832 /nfs/dbraw/zinc/61/88/32/570618832.db2.gz WQZUXNKRWQOANO-ROUUACIJSA-N 1 0 350.384 4.109 50 0 FIAARO Fc1cc(Br)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000252538621 570624206 /nfs/dbraw/zinc/62/42/06/570624206.db2.gz NBXQQBHZECADAE-ARFHVFGLSA-N 1 0 354.263 4.026 50 0 FIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(OC(F)F)cc1 ZINC000003310993 570659861 /nfs/dbraw/zinc/65/98/61/570659861.db2.gz ILEDTWLDKUCSEQ-UHFFFAOYSA-N 1 0 366.452 4.207 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000005395069 570678034 /nfs/dbraw/zinc/67/80/34/570678034.db2.gz NRWDZRYYRXNNIL-QFIPXVFZSA-N 1 0 356.469 4.459 50 0 FIAARO CCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000008613233 570683859 /nfs/dbraw/zinc/68/38/59/570683859.db2.gz UMWLAEMMHADFSW-IBGZPJMESA-N 1 0 358.526 4.346 50 0 FIAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1 ZINC000011667860 570705182 /nfs/dbraw/zinc/70/51/82/570705182.db2.gz QYWKPVUAVUSOPF-HXUWFJFHSA-N 1 0 360.457 4.338 50 0 FIAARO Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)n1 ZINC000011700301 570705658 /nfs/dbraw/zinc/70/56/58/570705658.db2.gz ZWOZMMCAAGHEPL-HSZRJFAPSA-N 1 0 369.553 4.289 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2cccnc2)CC1 ZINC000011821464 570708569 /nfs/dbraw/zinc/70/85/69/570708569.db2.gz UPKPAPYCIPVZKF-UHFFFAOYSA-N 1 0 372.896 4.123 50 0 FIAARO COc1ccc(CC2(CO)CC[NH+](Cc3cc(C)c(C)cc3C)CC2)cc1 ZINC000011841366 570709182 /nfs/dbraw/zinc/70/91/82/570709182.db2.gz XOPURZHIRWSYRJ-UHFFFAOYSA-N 1 0 367.533 4.438 50 0 FIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000011841397 570709293 /nfs/dbraw/zinc/70/92/93/570709293.db2.gz CSSUDQVRRYNMDI-GOSISDBHSA-N 1 0 353.462 4.107 50 0 FIAARO Clc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000011843314 570709949 /nfs/dbraw/zinc/70/99/49/570709949.db2.gz CPZGAARJVFWOIE-OAHLLOKOSA-N 1 0 368.868 4.149 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)c1C ZINC000012057688 570715933 /nfs/dbraw/zinc/71/59/33/570715933.db2.gz DVDUPUNBOHUKEI-HSZRJFAPSA-N 1 0 369.553 4.199 50 0 FIAARO CN(C(=O)c1ccc(Cl)c(F)c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012072490 570715985 /nfs/dbraw/zinc/71/59/85/570715985.db2.gz SKTJGKVAJPUKQB-SFHVURJKSA-N 1 0 374.887 4.258 50 0 FIAARO CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000012074591 570716690 /nfs/dbraw/zinc/71/66/90/570716690.db2.gz YIDKAGBKJQLYQZ-HXUWFJFHSA-N 1 0 372.553 4.243 50 0 FIAARO Fc1cccc(CN2CCC([C@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320791 570736718 /nfs/dbraw/zinc/73/67/18/570736718.db2.gz WJPURXPYRCUOFI-IBGZPJMESA-N 1 0 371.475 4.094 50 0 FIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cc4ccccc4o3)C2)c1 ZINC000012457521 570747135 /nfs/dbraw/zinc/74/71/35/570747135.db2.gz QZVPUKSCAWXIMM-QHCPKHFHSA-N 1 0 365.473 4.259 50 0 FIAARO O=C1CC[N@@H+](Cc2ccsc2)CCN1Cc1ccccc1C(F)(F)F ZINC000012513336 570749152 /nfs/dbraw/zinc/74/91/52/570749152.db2.gz HSIJOFAXCVSVIR-UHFFFAOYSA-N 1 0 368.424 4.001 50 0 FIAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)Cc3ccccc3)nc2c(C)c1 ZINC000004359397 570757121 /nfs/dbraw/zinc/75/71/21/570757121.db2.gz SXHYBCAETMXRQK-UHFFFAOYSA-N 1 0 367.518 4.050 50 0 FIAARO Cc1ccccc1C(=O)N(CC[NH+](C)C)c1nc2c(cccc2Cl)s1 ZINC000004359323 570757127 /nfs/dbraw/zinc/75/71/27/570757127.db2.gz FLNNPMUJSPVNGD-UHFFFAOYSA-N 1 0 373.909 4.467 50 0 FIAARO C[NH+](C)CCN(C(=O)Cc1ccccc1)c1nc2ccc(Cl)cc2s1 ZINC000004359197 570757468 /nfs/dbraw/zinc/75/74/68/570757468.db2.gz QLUWDBOKWFMKFG-UHFFFAOYSA-N 1 0 373.909 4.087 50 0 FIAARO C[NH+](C)CCCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1 ZINC000004359583 570758403 /nfs/dbraw/zinc/75/84/03/570758403.db2.gz CVZKWPXEQNKXQL-UHFFFAOYSA-N 1 0 363.483 4.095 50 0 FIAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2c(cccc2Cl)s1 ZINC000004359788 570758742 /nfs/dbraw/zinc/75/87/42/570758742.db2.gz ITIQCLVZRRNSPU-UHFFFAOYSA-N 1 0 363.870 4.141 50 0 FIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3ccc(SC)cc3)C2)c1 ZINC000012763905 570760676 /nfs/dbraw/zinc/76/06/76/570760676.db2.gz ALKPTTWHEKGGHV-JOCHJYFZSA-N 1 0 371.546 4.234 50 0 FIAARO COc1ccc2cc(C[N@H+](C)CCC(=O)Nc3ccccc3F)ccc2c1 ZINC000012793974 570762353 /nfs/dbraw/zinc/76/23/53/570762353.db2.gz LXBYPDODFPTCHK-UHFFFAOYSA-N 1 0 366.436 4.448 50 0 FIAARO COC1CC[NH+](C2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000206766585 570785059 /nfs/dbraw/zinc/78/50/59/570785059.db2.gz MCVDQTFBGVKFTI-UHFFFAOYSA-N 1 0 373.541 4.091 50 0 FIAARO COc1ccc(CC[N@H+](C)[C@H](C)c2nnc(-c3cccs3)o2)cc1OC ZINC000032739720 570789038 /nfs/dbraw/zinc/78/90/38/570789038.db2.gz HPRCSQRZMJAQOS-CYBMUJFWSA-N 1 0 373.478 4.051 50 0 FIAARO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000032796013 570802783 /nfs/dbraw/zinc/80/27/83/570802783.db2.gz HQXTWRICJLNWGO-HNNXBMFYSA-N 1 0 358.869 4.342 50 0 FIAARO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879766 570834085 /nfs/dbraw/zinc/83/40/85/570834085.db2.gz SDVRABMTWWLJPY-KRWDZBQOSA-N 1 0 373.500 4.325 50 0 FIAARO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c(OC)c1 ZINC000046089141 570925751 /nfs/dbraw/zinc/92/57/51/570925751.db2.gz WSVMONBHLQEVIE-BWTKPXILSA-N 1 0 373.518 4.367 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000049795420 570965888 /nfs/dbraw/zinc/96/58/88/570965888.db2.gz NUESFRRYIPOUCW-CQSZACIVSA-N 1 0 371.447 4.186 50 0 FIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000024595307 570978439 /nfs/dbraw/zinc/97/84/39/570978439.db2.gz NTJFGBWEOMLQTJ-UHFFFAOYSA-N 1 0 370.305 4.059 50 0 FIAARO C[N@@H+](Cc1ccsc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000024960632 570986834 /nfs/dbraw/zinc/98/68/34/570986834.db2.gz IKLAGYAPGIEXLK-QGZVFWFLSA-N 1 0 350.487 4.349 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1Cl ZINC000025331045 570994267 /nfs/dbraw/zinc/99/42/67/570994267.db2.gz ATBQAEIVYBGKKA-AWEZNQCLSA-N 1 0 373.305 4.096 50 0 FIAARO OC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000026858840 571008221 /nfs/dbraw/zinc/00/82/21/571008221.db2.gz TYWBVKDSCCREPI-UHFFFAOYSA-N 1 0 367.880 4.149 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793043 571021245 /nfs/dbraw/zinc/02/12/45/571021245.db2.gz PGIDVVULWZZIFD-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 FIAARO Fc1ccc(CN2CCC[N@H+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000028171174 571027151 /nfs/dbraw/zinc/02/71/51/571027151.db2.gz BQMSRVQUSJZJMN-UHFFFAOYSA-N 1 0 365.452 4.189 50 0 FIAARO Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000028580905 571033391 /nfs/dbraw/zinc/03/33/91/571033391.db2.gz MCBLFXRANXDBSE-HXUWFJFHSA-N 1 0 351.446 4.030 50 0 FIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1 ZINC000029198407 571037387 /nfs/dbraw/zinc/03/73/87/571037387.db2.gz KBDSVUMZWNODFD-SFHVURJKSA-N 1 0 366.383 4.353 50 0 FIAARO CSc1ccccc1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000029174916 571037508 /nfs/dbraw/zinc/03/75/08/571037508.db2.gz KPNOGQRLYFAAAM-HXUWFJFHSA-N 1 0 368.546 4.221 50 0 FIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(Br)c1 ZINC000029483254 571040168 /nfs/dbraw/zinc/04/01/68/571040168.db2.gz CAANFQHZJYXZCG-SFHVURJKSA-N 1 0 373.294 4.315 50 0 FIAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613211 571052757 /nfs/dbraw/zinc/05/27/57/571052757.db2.gz QCADTYNGMGXWKQ-HXUWFJFHSA-N 1 0 358.526 4.345 50 0 FIAARO CC(=O)CSc1nc(CN2CCC(C)CC2)nc2sc(C)c(C)c21 ZINC000072307649 571064284 /nfs/dbraw/zinc/06/42/84/571064284.db2.gz OUNLMZAVWMVFCL-UHFFFAOYSA-N 1 0 363.552 4.221 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc(Cl)cc1 ZINC000004195126 571068922 /nfs/dbraw/zinc/06/89/22/571068922.db2.gz NFZGAICDILYENF-MJGOQNOKSA-N 1 0 355.869 4.488 50 0 FIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(C)cc1 ZINC000040069045 571071822 /nfs/dbraw/zinc/07/18/22/571071822.db2.gz XRPDIHSKLUCZDZ-UHFFFAOYSA-N 1 0 353.510 4.178 50 0 FIAARO COc1ccc(CC[N@H+](C)CCCCC(=O)c2ccccc2)cc1OC ZINC000004713668 571072546 /nfs/dbraw/zinc/07/25/46/571072546.db2.gz HMRICNKANYCHRQ-UHFFFAOYSA-N 1 0 355.478 4.231 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000008924885 571074769 /nfs/dbraw/zinc/07/47/69/571074769.db2.gz ZNQDDYNWXSTWTF-SFHVURJKSA-N 1 0 352.409 4.118 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)[NH+]2CCCCC2)cc1 ZINC000012754903 571077831 /nfs/dbraw/zinc/07/78/31/571077831.db2.gz KHWFNFNEJQLIDV-QFIPXVFZSA-N 1 0 366.505 4.269 50 0 FIAARO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000040161205 571089755 /nfs/dbraw/zinc/08/97/55/571089755.db2.gz JDHMXZAOLPAMAT-LSDHHAIUSA-N 1 0 362.429 4.246 50 0 FIAARO Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NCCC[NH+](C)C ZINC000040216715 571090560 /nfs/dbraw/zinc/09/05/60/571090560.db2.gz WMULXRAYHXFUJP-UHFFFAOYSA-N 1 0 357.889 4.030 50 0 FIAARO O=c1[nH]c2ccccc2cc1C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000084594848 571091407 /nfs/dbraw/zinc/09/14/07/571091407.db2.gz GTWUAMREJCWSHX-IBGZPJMESA-N 1 0 370.399 4.297 50 0 FIAARO Cc1c(C)n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2c1cccc2Cl ZINC000012421944 571097820 /nfs/dbraw/zinc/09/78/20/571097820.db2.gz KJHUKAGUFJNVSH-IBGZPJMESA-N 1 0 368.908 4.331 50 0 FIAARO CC1CC[NH+](C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000012421973 571097879 /nfs/dbraw/zinc/09/78/79/571097879.db2.gz MEVCGRIXYSZRDS-INIZCTEOSA-N 1 0 360.929 4.266 50 0 FIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012430153 571098696 /nfs/dbraw/zinc/09/86/96/571098696.db2.gz VVXUMBVYBGPFCM-XMMPIXPASA-N 1 0 360.501 4.442 50 0 FIAARO COc1cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)ccc1OCc1ccccc1 ZINC000043155976 571099739 /nfs/dbraw/zinc/09/97/39/571099739.db2.gz ANQFWUAQTULTRG-OIBXWCBGSA-N 1 0 367.489 4.230 50 0 FIAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C)c1C ZINC000009218318 571101537 /nfs/dbraw/zinc/10/15/37/571101537.db2.gz VBERIVLYKLJVOF-GDBMZVCRSA-N 1 0 356.466 4.039 50 0 FIAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000044932070 571104730 /nfs/dbraw/zinc/10/47/30/571104730.db2.gz YBXXMDRDHNALRO-UHFFFAOYSA-N 1 0 360.860 4.008 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044933455 571104751 /nfs/dbraw/zinc/10/47/51/571104751.db2.gz OFZSMJDQLUWFSF-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044933453 571104855 /nfs/dbraw/zinc/10/48/55/571104855.db2.gz OFZSMJDQLUWFSF-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044933449 571104982 /nfs/dbraw/zinc/10/49/82/571104982.db2.gz AUBAGMNWYWKJCB-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000044934877 571105225 /nfs/dbraw/zinc/10/52/25/571105225.db2.gz DQNRKHDAHBDOGH-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000044934124 571105257 /nfs/dbraw/zinc/10/52/57/571105257.db2.gz FJNQJAFESMZSMV-KRWDZBQOSA-N 1 0 354.469 4.224 50 0 FIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccco2)cc1 ZINC000009377626 571107501 /nfs/dbraw/zinc/10/75/01/571107501.db2.gz QNBQKNDJVBEXMA-UHFFFAOYSA-N 1 0 359.429 4.431 50 0 FIAARO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047302288 571107696 /nfs/dbraw/zinc/10/76/96/571107696.db2.gz BWYCZMMBCUGQOO-GOSISDBHSA-N 1 0 350.506 4.338 50 0 FIAARO Fc1ccccc1OC[C@H]1CCC[N@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC000244872923 571118289 /nfs/dbraw/zinc/11/82/89/571118289.db2.gz WHBIUIWLYDSFRE-INIZCTEOSA-N 1 0 367.424 4.167 50 0 FIAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)nc1 ZINC000055393623 571120369 /nfs/dbraw/zinc/12/03/69/571120369.db2.gz VFFIOQSNGMCMAB-UHFFFAOYSA-N 1 0 357.445 4.034 50 0 FIAARO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000010128608 571122693 /nfs/dbraw/zinc/12/26/93/571122693.db2.gz BJKBYGBSJPVYSK-MRXNPFEDSA-N 1 0 350.437 4.116 50 0 FIAARO C[NH+](C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000058141829 571125763 /nfs/dbraw/zinc/12/57/63/571125763.db2.gz CZUCWLCKJZRELS-UHFFFAOYSA-N 1 0 351.277 4.131 50 0 FIAARO Cc1oc2ccccc2c1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000185919845 571126988 /nfs/dbraw/zinc/12/69/88/571126988.db2.gz YFKOOKVNQQORDK-HNNXBMFYSA-N 1 0 363.461 4.092 50 0 FIAARO O=c1oc2ccccc2n1CCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000058179753 571127601 /nfs/dbraw/zinc/12/76/01/571127601.db2.gz DVXPSEJKBORILN-QGZVFWFLSA-N 1 0 356.853 4.475 50 0 FIAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012849423 571128800 /nfs/dbraw/zinc/12/88/00/571128800.db2.gz YNUFYWCKIMEJDS-LJQANCHMSA-N 1 0 366.436 4.447 50 0 FIAARO CC1(C)C[C@@H](C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000252488276 571132723 /nfs/dbraw/zinc/13/27/23/571132723.db2.gz IOMJFEYEJITQGJ-KRWDZBQOSA-N 1 0 370.459 4.028 50 0 FIAARO COc1ccncc1C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000558100595 571133793 /nfs/dbraw/zinc/13/37/93/571133793.db2.gz NBLQRTWBRZTWPZ-KRWDZBQOSA-N 1 0 364.493 4.400 50 0 FIAARO C[NH+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000052530348 571146531 /nfs/dbraw/zinc/14/65/31/571146531.db2.gz YIDXBWFTQDFDLB-IRXDYDNUSA-N 1 0 362.256 4.237 50 0 FIAARO C[NH+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000052530347 571146587 /nfs/dbraw/zinc/14/65/87/571146587.db2.gz YIDXBWFTQDFDLB-IAGOWNOFSA-N 1 0 362.256 4.237 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000005939047 571168567 /nfs/dbraw/zinc/16/85/67/571168567.db2.gz ZKAXCJLBWMWYJU-QGZVFWFLSA-N 1 0 355.507 4.250 50 0 FIAARO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cnc(-c5ccco5)nc4)C3)nc21 ZINC000072124177 571170415 /nfs/dbraw/zinc/17/04/15/571170415.db2.gz NCZFHMGLJVZGGP-KRWDZBQOSA-N 1 0 373.460 4.301 50 0 FIAARO CC(C)(C)C[C@H](Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1cccnc1 ZINC000072129698 571171141 /nfs/dbraw/zinc/17/11/41/571171141.db2.gz TXOYRKBKYPDYDN-SFHVURJKSA-N 1 0 374.492 4.126 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1csc2ccccc21 ZINC000575620499 571172891 /nfs/dbraw/zinc/17/28/91/571172891.db2.gz KONVKTZEUYKLAF-SFHVURJKSA-N 1 0 356.466 4.002 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)cc1F ZINC000575622578 571173203 /nfs/dbraw/zinc/17/32/03/571173203.db2.gz ZYKNJBBVNAPGRA-KRWDZBQOSA-N 1 0 372.465 4.082 50 0 FIAARO Fc1ccc(-c2nc3ccccn3c2C[NH+]2CC(c3ccncc3)C2)cc1 ZINC000072147078 571173731 /nfs/dbraw/zinc/17/37/31/571173731.db2.gz ZCLBMSIHWOKKLK-UHFFFAOYSA-N 1 0 358.420 4.135 50 0 FIAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C)CC2 ZINC000072151277 571174429 /nfs/dbraw/zinc/17/44/29/571174429.db2.gz YFWDICNISLZGJX-UHFFFAOYSA-N 1 0 361.530 4.046 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000072158588 571175383 /nfs/dbraw/zinc/17/53/83/571175383.db2.gz XGAYMZOBBBTEGQ-UHFFFAOYSA-N 1 0 364.537 4.151 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000072161495 571175663 /nfs/dbraw/zinc/17/56/63/571175663.db2.gz GBLYWQJWIYKOOC-UHFFFAOYSA-N 1 0 357.501 4.375 50 0 FIAARO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)nc21 ZINC000072170501 571177257 /nfs/dbraw/zinc/17/72/57/571177257.db2.gz NFWBNCKYEPREAG-KRWDZBQOSA-N 1 0 357.461 4.194 50 0 FIAARO Cc1cccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)nc21 ZINC000072170500 571177399 /nfs/dbraw/zinc/17/73/99/571177399.db2.gz NFWBNCKYEPREAG-QGZVFWFLSA-N 1 0 357.461 4.194 50 0 FIAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1ccccc1Br ZINC000003283065 571178889 /nfs/dbraw/zinc/17/88/89/571178889.db2.gz YINGCJSGZDFBSW-MRXNPFEDSA-N 1 0 359.267 4.055 50 0 FIAARO COc1ccc(OCCN(C)Cc2csc(Nc3ccccc3)n2)cc1 ZINC000012595667 571187991 /nfs/dbraw/zinc/18/79/91/571187991.db2.gz UOXNLZPGSVYMDZ-UHFFFAOYSA-N 1 0 369.490 4.406 50 0 FIAARO COc1ccccc1-c1ccc(C(=O)N2CCCC[C@H]2CC[NH+](C)C)cc1 ZINC000072453698 571197348 /nfs/dbraw/zinc/19/73/48/571197348.db2.gz BPFXRKBFOJLYBU-FQEVSTJZSA-N 1 0 366.505 4.309 50 0 FIAARO C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC[N@@H+]1C ZINC000072470304 571198607 /nfs/dbraw/zinc/19/86/07/571198607.db2.gz INDZPRDCWXCUPS-GOSISDBHSA-N 1 0 366.553 4.271 50 0 FIAARO Clc1ccccc1C1(c2ccnc(NCc3ccco3)n2)CC[NH2+]CC1 ZINC000072480153 571199756 /nfs/dbraw/zinc/19/97/56/571199756.db2.gz ZOWRQESSIJRDBN-UHFFFAOYSA-N 1 0 368.868 4.005 50 0 FIAARO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2cc(CC)no2)cc1 ZINC000075448539 571203225 /nfs/dbraw/zinc/20/32/25/571203225.db2.gz ASRMTODRMGXFFH-IBGZPJMESA-N 1 0 366.465 4.363 50 0 FIAARO C[C@H](c1ccccn1)N(C)C(=O)c1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000534673097 571209001 /nfs/dbraw/zinc/20/90/01/571209001.db2.gz MRVPZEZOHLEHKL-QGZVFWFLSA-N 1 0 374.488 4.038 50 0 FIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358677 571209033 /nfs/dbraw/zinc/20/90/33/571209033.db2.gz LARIGEMJAINYHX-NRFANRHFSA-N 1 0 367.541 4.474 50 0 FIAARO C[NH+](C)CCOCCO[C@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000002031026 571212109 /nfs/dbraw/zinc/21/21/09/571212109.db2.gz SCTSKNWRDQSSGQ-LJQANCHMSA-N 1 0 367.411 4.390 50 0 FIAARO Cc1ccc(OC2CCN(C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)cc1 ZINC000077455665 571212211 /nfs/dbraw/zinc/21/22/11/571212211.db2.gz VBOYSWIXGSVNHZ-SFHVURJKSA-N 1 0 370.518 4.165 50 0 FIAARO COc1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3CCn3ccnc3C)c(C)c2c1 ZINC000077519241 571214342 /nfs/dbraw/zinc/21/43/42/571214342.db2.gz OKBZWKYFONPDTC-GOSISDBHSA-N 1 0 366.509 4.435 50 0 FIAARO CC[C@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC[NH2+]1 ZINC000426406294 571221145 /nfs/dbraw/zinc/22/11/45/571221145.db2.gz OPZOOMVJTFFKPV-SFHVURJKSA-N 1 0 362.395 4.196 50 0 FIAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)CN1CCc1ccccc1 ZINC000082108074 571228333 /nfs/dbraw/zinc/22/83/33/571228333.db2.gz VJDPDAKKDNIATB-XMMPIXPASA-N 1 0 362.517 4.134 50 0 FIAARO O=C(c1ccc(-c2cc(Cl)ccc2F)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000426727500 571236680 /nfs/dbraw/zinc/23/66/80/571236680.db2.gz NUVJGPJILMVTHZ-NRFANRHFSA-N 1 0 372.871 4.362 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248924 571237569 /nfs/dbraw/zinc/23/75/69/571237569.db2.gz IQZVAIKLSVCURN-QHCPKHFHSA-N 1 0 374.532 4.172 50 0 FIAARO C=C1[NH+]=C(NC)S[C@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000006666338 571240168 /nfs/dbraw/zinc/24/01/68/571240168.db2.gz RUSWPASHMKPZFL-GOSISDBHSA-N 1 0 352.459 4.067 50 0 FIAARO COc1cc(C[N@H+](CCC(C)C)C[C@@H](O)Cc2ccccc2)cc(OC)c1 ZINC000036095141 571240838 /nfs/dbraw/zinc/24/08/38/571240838.db2.gz DEWNQQZRKIBHGK-NRFANRHFSA-N 1 0 371.521 4.156 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc3occc3c1)C2 ZINC000091657065 571241767 /nfs/dbraw/zinc/24/17/67/571241767.db2.gz OIFNNPKZHBILTI-AZUAARDMSA-N 1 0 365.477 4.134 50 0 FIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)s1 ZINC000036101654 571241997 /nfs/dbraw/zinc/24/19/97/571241997.db2.gz LPFOBFSAWSQZFJ-QGZVFWFLSA-N 1 0 351.512 4.075 50 0 FIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103335 571242218 /nfs/dbraw/zinc/24/22/18/571242218.db2.gz KRXJGZBRGJCCQC-FQEVSTJZSA-N 1 0 367.514 4.499 50 0 FIAARO CCNc1ccnc(N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 ZINC000091736986 571242912 /nfs/dbraw/zinc/24/29/12/571242912.db2.gz TVYLFXXLJNASEA-SFHVURJKSA-N 1 0 362.481 4.200 50 0 FIAARO CC[C@H]1CN(C(=O)c2cc3cc(Cl)cc(OC)c3o2)CC[N@@H+]1C(C)C ZINC000091737650 571242936 /nfs/dbraw/zinc/24/29/36/571242936.db2.gz XYHWBUAPDWETSY-HNNXBMFYSA-N 1 0 364.873 4.040 50 0 FIAARO CC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145892 571243415 /nfs/dbraw/zinc/24/34/15/571243415.db2.gz ZCCVGEGPKZRHNQ-PMACEKPBSA-N 1 0 372.896 4.106 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000006847235 571250561 /nfs/dbraw/zinc/25/05/61/571250561.db2.gz ZHWRTAYQVDLWGI-UHFFFAOYSA-N 1 0 372.683 4.033 50 0 FIAARO O=C(Nc1ccc(F)cc1)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000006877325 571252126 /nfs/dbraw/zinc/25/21/26/571252126.db2.gz YMZNFKNCQYUKRO-UHFFFAOYSA-N 1 0 367.468 4.128 50 0 FIAARO CCOc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000006877354 571252201 /nfs/dbraw/zinc/25/22/01/571252201.db2.gz ZFQFKFDFSILTPL-UHFFFAOYSA-N 1 0 359.514 4.205 50 0 FIAARO CCn1c(C)c(C)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc21 ZINC000006912705 571254366 /nfs/dbraw/zinc/25/43/66/571254366.db2.gz GRLRRRSNDWCBML-UHFFFAOYSA-N 1 0 355.526 4.274 50 0 FIAARO CC(=O)O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCC1 ZINC000016839766 571273110 /nfs/dbraw/zinc/27/31/10/571273110.db2.gz TWSPREIBPMBEHY-GOSISDBHSA-N 1 0 350.462 4.212 50 0 FIAARO CCSc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000076061117 571274037 /nfs/dbraw/zinc/27/40/37/571274037.db2.gz GIMOZEYGFMGVPS-UHFFFAOYSA-N 1 0 361.536 4.493 50 0 FIAARO CCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222478 571280390 /nfs/dbraw/zinc/28/03/90/571280390.db2.gz CLLNOMBKVSVWEX-JOCHJYFZSA-N 1 0 361.489 4.497 50 0 FIAARO CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2ccccc2o1 ZINC000007681518 571285685 /nfs/dbraw/zinc/28/56/85/571285685.db2.gz DCEMMBFHKNJTKV-UHFFFAOYSA-N 1 0 357.841 4.250 50 0 FIAARO CCOc1ccc(-c2c(C)n(O)c(CC)c(-c3ccccc3)[n+]2=O)cc1 ZINC000136088176 571309240 /nfs/dbraw/zinc/30/92/40/571309240.db2.gz SNSKRZOFMWDHMG-UHFFFAOYSA-N 1 0 351.426 4.243 50 0 FIAARO Oc1ccc(C2CC[NH+](Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000055102768 571319929 /nfs/dbraw/zinc/31/99/29/571319929.db2.gz UGYFIMQXSRYFQW-UHFFFAOYSA-N 1 0 369.852 4.475 50 0 FIAARO Cc1ccoc1C(=O)NC1CC[NH+](Cc2csc3c2cccc3F)CC1 ZINC000079058618 571326712 /nfs/dbraw/zinc/32/67/12/571326712.db2.gz ZWLIATBAWJHMOU-UHFFFAOYSA-N 1 0 372.465 4.336 50 0 FIAARO CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000095402776 571329341 /nfs/dbraw/zinc/32/93/41/571329341.db2.gz GTCXZNIJGBHSSQ-DYESRHJHSA-N 1 0 352.478 4.387 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000095466640 571330447 /nfs/dbraw/zinc/33/04/47/571330447.db2.gz NBOWIQICNHVCPE-GOSISDBHSA-N 1 0 372.896 4.206 50 0 FIAARO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000095983706 571333421 /nfs/dbraw/zinc/33/34/21/571333421.db2.gz WZWRUHLLHMZFMJ-XLIONFOSSA-N 1 0 367.468 4.228 50 0 FIAARO C[C@H]1C[NH+](CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@@H]1C ZINC000095992875 571333623 /nfs/dbraw/zinc/33/36/23/571333623.db2.gz MNDICUAYTKIMGP-GJZGRUSLSA-N 1 0 357.885 4.118 50 0 FIAARO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000096012975 571333955 /nfs/dbraw/zinc/33/39/55/571333955.db2.gz VGNNCAUZSSQDDR-UHFFFAOYSA-N 1 0 352.588 4.023 50 0 FIAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000002934084 571341946 /nfs/dbraw/zinc/34/19/46/571341946.db2.gz IHLBMNRMXCZELE-AWEZNQCLSA-N 1 0 362.930 4.057 50 0 FIAARO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000057475473 571343538 /nfs/dbraw/zinc/34/35/38/571343538.db2.gz IUMQNVOSSVIGOD-HSZRJFAPSA-N 1 0 373.500 4.367 50 0 FIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000057483954 571343705 /nfs/dbraw/zinc/34/37/05/571343705.db2.gz CCBYEICBVGUXHQ-IBGZPJMESA-N 1 0 365.429 4.153 50 0 FIAARO C[N@H+](C1CCCC1)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003058378 571344364 /nfs/dbraw/zinc/34/43/64/571344364.db2.gz QQTIYSCKMULDMD-UHFFFAOYSA-N 1 0 351.947 4.376 50 0 FIAARO C[N@H+](C1CCCCC1)C1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 ZINC000003058465 571344398 /nfs/dbraw/zinc/34/43/98/571344398.db2.gz IPPZULCAEGUWQM-UHFFFAOYSA-N 1 0 367.509 4.391 50 0 FIAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1 ZINC000003058372 571344408 /nfs/dbraw/zinc/34/44/08/571344408.db2.gz BPMOZRZGWRJIDF-UHFFFAOYSA-N 1 0 363.596 4.444 50 0 FIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000003060164 571344426 /nfs/dbraw/zinc/34/44/26/571344426.db2.gz VYLAQUCKHFPHLT-ZDUSSCGKSA-N 1 0 369.962 4.240 50 0 FIAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)C[C@H](O)[C@H]2C(C)C)cc1 ZINC000230164044 571344527 /nfs/dbraw/zinc/34/45/27/571344527.db2.gz PQRBDYZZRFRTDK-KJJMTIBFSA-N 1 0 355.478 4.113 50 0 FIAARO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003206340 571345515 /nfs/dbraw/zinc/34/55/15/571345515.db2.gz XIAOEYNSXORRSX-DYVFJYSZSA-N 1 0 363.527 4.399 50 0 FIAARO C[NH+](C)[C@@H](CNc1ncnc2sc3c(c21)CCCCC3)c1ccco1 ZINC000003452414 571349974 /nfs/dbraw/zinc/34/99/74/571349974.db2.gz UTCLMQXWTSEECY-AWEZNQCLSA-N 1 0 356.495 4.268 50 0 FIAARO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)[NH+]1CCCC1)CCCC2 ZINC000004139630 571356092 /nfs/dbraw/zinc/35/60/92/571356092.db2.gz KGHNLZRJCPAXTR-IBGZPJMESA-N 1 0 355.507 4.166 50 0 FIAARO c1c(C[NH2+]CCc2ccccn2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000008194401 571359844 /nfs/dbraw/zinc/35/98/44/571359844.db2.gz DOCRXKINSNEELA-UHFFFAOYSA-N 1 0 368.484 4.326 50 0 FIAARO CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)c1 ZINC000194854309 1083675837 /nfs/dbraw/zinc/67/58/37/1083675837.db2.gz BZFHXCCPGGMUPJ-HXUWFJFHSA-N 1 0 352.478 4.002 50 0 FIAARO O=C(Nc1ccc(CCC(F)(F)F)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000176278804 1083856368 /nfs/dbraw/zinc/85/63/68/1083856368.db2.gz HIUISRXRXMIMBN-UHFFFAOYSA-N 1 0 369.431 4.177 50 0 FIAARO Cc1coc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c2)n1 ZINC000178004016 1084565945 /nfs/dbraw/zinc/56/59/45/1084565945.db2.gz DBHAQHBSCWYXIX-GOSISDBHSA-N 1 0 368.481 4.051 50 0 FIAARO Cc1ccc(C(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCC3)C2)s1 ZINC000581807568 1084613275 /nfs/dbraw/zinc/61/32/75/1084613275.db2.gz KBROZWOVZPODRF-MRXNPFEDSA-N 1 0 357.523 4.381 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2csc3ccccc23)CC1 ZINC000045463495 1085541433 /nfs/dbraw/zinc/54/14/33/1085541433.db2.gz NJWVLCKDAONSPP-UHFFFAOYSA-N 1 0 359.539 4.163 50 0 FIAARO C[NH+](C)Cc1ccnc(NC(=O)CCc2ccc(-c3ccccc3F)o2)c1 ZINC000176912995 1087601609 /nfs/dbraw/zinc/60/16/09/1087601609.db2.gz JNMVHJBKTPNXSA-UHFFFAOYSA-N 1 0 367.424 4.114 50 0 FIAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)ccc3O)C2)C1 ZINC000019939686 1089606972 /nfs/dbraw/zinc/60/69/72/1089606972.db2.gz ARKXLNONUKOSIE-HXUWFJFHSA-N 1 0 364.917 4.020 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000257180480 1090280427 /nfs/dbraw/zinc/28/04/27/1090280427.db2.gz DPAAPVOOHYWFSX-INIZCTEOSA-N 1 0 358.511 4.010 50 0 FIAARO Cc1ccc(CCC[NH+]2CCC(Cn3c(C)cnc3[C@@H]3CCCO3)CC2)o1 ZINC000257191408 1090323936 /nfs/dbraw/zinc/32/39/36/1090323936.db2.gz QFNIKUSXFBYWSO-NRFANRHFSA-N 1 0 371.525 4.289 50 0 FIAARO O=C(NCC1CCCCC1)[C@@H]1OCC[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675009538 1090880205 /nfs/dbraw/zinc/88/02/05/1090880205.db2.gz ADTOORZQBCJQAJ-FCHUYYIVSA-N 1 0 370.537 4.068 50 0 FIAARO O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1CC[NH+]1CCCCC1 ZINC000005046912 1092316127 /nfs/dbraw/zinc/31/61/27/1092316127.db2.gz JGMSCKSMQOWJBK-MRXNPFEDSA-N 1 0 359.322 4.053 50 0 FIAARO Cc1nc2ccc(N(C)C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)cc2s1 ZINC000083005424 1113389885 /nfs/dbraw/zinc/38/98/85/1113389885.db2.gz XUJJCJOISBSSRK-HNNXBMFYSA-N 1 0 357.523 4.222 50 0 FIAARO Fc1ccc(CN2CCC([NH2+][C@@H]3CCCOc4ccccc43)CC2)cc1F ZINC000166177028 1114949224 /nfs/dbraw/zinc/94/92/24/1114949224.db2.gz NIANNNLVTMSJSO-OAQYLSRUSA-N 1 0 372.459 4.433 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257184817 1115683132 /nfs/dbraw/zinc/68/31/32/1115683132.db2.gz VIEYJLCYCIDJRA-OAQYLSRUSA-N 1 0 366.505 4.319 50 0 FIAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@@H+](C1CCCCC1)C2 ZINC000011720603 1121307282 /nfs/dbraw/zinc/30/72/82/1121307282.db2.gz VYBZBRVOTRHHCS-NRFANRHFSA-N 1 0 362.464 4.112 50 0 FIAARO CC[C@@H]([NH2+]Cc1nc2c(cccc2F)n1CC)c1ccc2c(c1)OCCO2 ZINC000180648785 1124381060 /nfs/dbraw/zinc/38/10/60/1124381060.db2.gz UOFWBWFJRDAVLE-MRXNPFEDSA-N 1 0 369.440 4.207 50 0 FIAARO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)c1ccc2c(c1)OCCO2 ZINC000180629489 1124384251 /nfs/dbraw/zinc/38/42/51/1124384251.db2.gz TXRIAVURURJWRY-MRXNPFEDSA-N 1 0 369.440 4.207 50 0 FIAARO O=C1Cc2ccccc2Sc2c(OCC[NH+]3CCCCC3)cccc21 ZINC000000726335 210265835 /nfs/dbraw/zinc/26/58/35/210265835.db2.gz KQKIJSXRQLKDCH-UHFFFAOYSA-N 1 0 353.487 4.441 50 0 FIAARO COc1ccc([C@H](O)c2c(C[NH+]3CCCCC3)c3ccccc3n2C)cc1 ZINC000000633503 210255274 /nfs/dbraw/zinc/25/52/74/210255274.db2.gz JUKLUPWONNDHHO-QHCPKHFHSA-N 1 0 364.489 4.255 50 0 FIAARO Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCC3)cc1 ZINC000000637284 210254271 /nfs/dbraw/zinc/25/42/71/210254271.db2.gz ZBKQZSUNCRZVIP-UHFFFAOYSA-N 1 0 354.271 4.449 50 0 FIAARO COc1ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000001270767 210225559 /nfs/dbraw/zinc/22/55/59/210225559.db2.gz HHMVMCYVZLGGPX-UHFFFAOYSA-N 1 0 363.457 4.256 50 0 biogenic FIAARO O=C(Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000253412022 210215747 /nfs/dbraw/zinc/21/57/47/210215747.db2.gz PQVKSRSLFUSRQV-DOTOQJQBSA-N 1 0 371.506 4.284 50 0 biogenic FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C(C)C)cc1 ZINC000060802557 210209013 /nfs/dbraw/zinc/20/90/13/210209013.db2.gz ACFMQNZEFSOBOS-UGKGYDQZSA-N 1 0 369.505 4.395 50 0 FIAARO O=C(CCc1cccc(Cl)c1)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299800375 210039816 /nfs/dbraw/zinc/03/98/16/210039816.db2.gz XDJJEVQSUWUXGS-HXUWFJFHSA-N 1 0 370.924 4.301 50 0 FIAARO C[C@@H](c1ccc(C(=O)NCc2nc3c(s2)CCCC3)o1)[NH+]1CCCCC1 ZINC000299798205 210036952 /nfs/dbraw/zinc/03/69/52/210036952.db2.gz REVUKZFWNVLYHL-AWEZNQCLSA-N 1 0 373.522 4.092 50 0 FIAARO O=C(Nc1cccc2cnccc21)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299786609 210028869 /nfs/dbraw/zinc/02/88/69/210028869.db2.gz WQVIVJIAAZNVOE-UHFFFAOYSA-N 1 0 352.482 4.107 50 0 FIAARO c1ccc([C@@H]2C[C@H](c3noc(CN4CCCCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299775655 210020136 /nfs/dbraw/zinc/02/01/36/210020136.db2.gz GINIQCDLYYUGEQ-ZCNNSNEGSA-N 1 0 366.509 4.139 50 0 FIAARO CC[NH+](CC)CCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 ZINC000003455810 219511970 /nfs/dbraw/zinc/51/19/70/219511970.db2.gz ZLSAPFOZEDHIOF-UHFFFAOYSA-N 1 0 355.454 4.474 50 0 FIAARO Cc1ccc(C)c(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 ZINC000064158051 212037203 /nfs/dbraw/zinc/03/72/03/212037203.db2.gz DCVCMXHJVDOSEI-UHFFFAOYSA-N 1 0 360.457 4.466 50 0 FIAARO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000060156262 212019297 /nfs/dbraw/zinc/01/92/97/212019297.db2.gz VMEDIUXAECSOTF-HZPDHXFCSA-N 1 0 370.459 4.436 50 0 FIAARO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccccc2)o1 ZINC000012739484 220023770 /nfs/dbraw/zinc/02/37/70/220023770.db2.gz IYIVUMUMOKOSKF-QGZVFWFLSA-N 1 0 362.477 4.183 50 0 FIAARO CC[NH+](CC)CCCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013320538 220063808 /nfs/dbraw/zinc/06/38/08/220063808.db2.gz UTEHCZNHXHKURH-UHFFFAOYSA-N 1 0 351.800 4.212 50 0 FIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1cccc2c3c(oc21)CCCC3 ZINC000016309772 220182647 /nfs/dbraw/zinc/18/26/47/220182647.db2.gz GXIUHNGDHPOTMO-IXDOHACOSA-N 1 0 357.494 4.314 50 0 FIAARO Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccccc2n1 ZINC000023738884 211395353 /nfs/dbraw/zinc/39/53/53/211395353.db2.gz HBGYSUPVTIPIMN-QFIPXVFZSA-N 1 0 359.473 4.110 50 0 FIAARO CCc1cccc2c(C(=O)[C@@H]([NH2+]CCCOC)c3ccccc3)c[nH]c21 ZINC000023426184 211390369 /nfs/dbraw/zinc/39/03/69/211390369.db2.gz JAIRAMHJAYCLBI-NRFANRHFSA-N 1 0 350.462 4.280 50 0 FIAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2ccc3n[nH]nc3c2)s1 ZINC000023431695 211389553 /nfs/dbraw/zinc/38/95/53/211389553.db2.gz HCCTXTGSQZYRNN-INIZCTEOSA-N 1 0 369.494 4.065 50 0 FIAARO C[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 ZINC000022865480 211367790 /nfs/dbraw/zinc/36/77/90/211367790.db2.gz IKXXECKUUBDKNV-KRWDZBQOSA-N 1 0 362.901 4.475 50 0 FIAARO Clc1ccccc1Cn1cc(C[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000022742376 211362502 /nfs/dbraw/zinc/36/25/02/211362502.db2.gz IUCRJVGRQTVPKL-IBGZPJMESA-N 1 0 353.853 4.198 50 0 FIAARO CC[C@H](C)C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000022627558 211358623 /nfs/dbraw/zinc/35/86/23/211358623.db2.gz BFNVAXLDIFJUTJ-SFHVURJKSA-N 1 0 362.517 4.065 50 0 FIAARO CCCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170228 211309945 /nfs/dbraw/zinc/30/99/45/211309945.db2.gz CCPOVOVGQICJJL-PKTZIBPZSA-N 1 0 371.496 4.320 50 0 FIAARO CCc1ccc(CNC(=O)c2ccc(SCC[NH+](CC)CC)nc2)cc1 ZINC000021663609 211320402 /nfs/dbraw/zinc/32/04/02/211320402.db2.gz CHLRBYJYIHQTHZ-UHFFFAOYSA-N 1 0 371.550 4.008 50 0 FIAARO Clc1ccc(-c2noc3ncnc(NCCC[NH+]4CCCCC4)c32)cc1 ZINC000020575090 211288532 /nfs/dbraw/zinc/28/85/32/211288532.db2.gz OYAOAQDPXMSBEL-UHFFFAOYSA-N 1 0 371.872 4.226 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1OC(F)F)[NH2+]CC2 ZINC000020506987 211284744 /nfs/dbraw/zinc/28/47/44/211284744.db2.gz KUQFMGPZDMVJQS-IBGZPJMESA-N 1 0 363.404 4.321 50 0 FIAARO CCC[C@@](O)(c1ccc(CC)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440907 211279928 /nfs/dbraw/zinc/27/99/28/211279928.db2.gz WYNXAOLWXKUBPB-DNQXCXABSA-N 1 0 367.533 4.353 50 0 FIAARO OC(C[NH2+]Cc1ccccn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365355 211276979 /nfs/dbraw/zinc/27/69/79/211276979.db2.gz VZDSKXHEDHBMKW-UHFFFAOYSA-N 1 0 373.283 4.414 50 0 FIAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc(Cl)cc2)cc1F ZINC000019838065 211256821 /nfs/dbraw/zinc/25/68/21/211256821.db2.gz UGRGSPQSNJMAPX-UHFFFAOYSA-N 1 0 359.832 4.210 50 0 FIAARO CC1(C)Cc2c3c(ncn4nc(-c5cccs5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019461726 211223899 /nfs/dbraw/zinc/22/38/99/211223899.db2.gz AZRXEHDZWUSOQE-UHFFFAOYSA-N 1 0 369.519 4.227 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)c1 ZINC000019361461 211219597 /nfs/dbraw/zinc/21/95/97/211219597.db2.gz UHDBQKAWSQFMNI-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO CC1(C)C[C@H](C[N@@H+]2CCc3[nH]nc(C=Cc4ccccc4)c3C2)CCO1 ZINC000019145479 211203903 /nfs/dbraw/zinc/20/39/03/211203903.db2.gz WZYBOSYWJRBNMO-GFOMBABLSA-N 1 0 351.494 4.143 50 0 FIAARO Fc1ccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000016449751 211161994 /nfs/dbraw/zinc/16/19/94/211161994.db2.gz YHPKFJDFJQSONQ-UHFFFAOYSA-N 1 0 365.404 4.423 50 0 FIAARO Fc1ccccc1COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000016450080 211161779 /nfs/dbraw/zinc/16/17/79/211161779.db2.gz MYLJKJOZWRIVPG-UHFFFAOYSA-N 1 0 365.404 4.423 50 0 FIAARO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016606211 211164357 /nfs/dbraw/zinc/16/43/57/211164357.db2.gz VCAIVMGISUQQJM-UHFFFAOYSA-N 1 0 356.441 4.075 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860324 211147494 /nfs/dbraw/zinc/14/74/94/211147494.db2.gz OYCFWBBRTOSQHH-LJQANCHMSA-N 1 0 374.912 4.373 50 0 FIAARO Cc1ccc2nc3sc(C(=O)NCC[NH+]4CCC(C)CC4)cc3cc2c1 ZINC000015784586 211143102 /nfs/dbraw/zinc/14/31/02/211143102.db2.gz MVLYSRJYSOVLGM-UHFFFAOYSA-N 1 0 367.518 4.220 50 0 FIAARO Cc1c(O)ccc2c(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 ZINC000015550541 211129918 /nfs/dbraw/zinc/12/99/18/211129918.db2.gz XGOKNTIKVIXIRQ-FQEVSTJZSA-N 1 0 355.409 4.433 50 0 FIAARO O=C(CC[C@H]1CCC[N@H+](CCc2ccccc2)C1)Nc1ccccc1F ZINC000015070057 211120352 /nfs/dbraw/zinc/12/03/52/211120352.db2.gz VABZJPFPAQPATJ-LJQANCHMSA-N 1 0 354.469 4.499 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000015072190 211120031 /nfs/dbraw/zinc/12/00/31/211120031.db2.gz UVRCFPUSJNNWEB-QFIPXVFZSA-N 1 0 368.565 4.288 50 0 FIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000015070015 211119052 /nfs/dbraw/zinc/11/90/52/211119052.db2.gz PEBCUVKBPWPOAH-HXUWFJFHSA-N 1 0 373.500 4.120 50 0 FIAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(Cl)cc2)c1 ZINC000015000651 211113336 /nfs/dbraw/zinc/11/33/36/211113336.db2.gz WXJKOZUKMBKFSV-IBGZPJMESA-N 1 0 372.896 4.020 50 0 FIAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014969000 211108897 /nfs/dbraw/zinc/10/88/97/211108897.db2.gz ZOYQOTLRAIQJTR-HXUWFJFHSA-N 1 0 363.860 4.002 50 0 FIAARO CSc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000014972638 211108606 /nfs/dbraw/zinc/10/86/06/211108606.db2.gz QEDSCXSEMFPIEJ-NRFANRHFSA-N 1 0 359.510 4.365 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000014955237 211107275 /nfs/dbraw/zinc/10/72/75/211107275.db2.gz OZNMDVGOINIDNU-OAHLLOKOSA-N 1 0 357.837 4.164 50 0 FIAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014884718 211104367 /nfs/dbraw/zinc/10/43/67/211104367.db2.gz BZXQELPIKNLFSU-MRBNIYHESA-N 1 0 356.539 4.253 50 0 FIAARO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014238428 211087450 /nfs/dbraw/zinc/08/74/50/211087450.db2.gz RDKZWLSCMXBVOZ-AZUAARDMSA-N 1 0 353.487 4.478 50 0 FIAARO Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000013593848 211042854 /nfs/dbraw/zinc/04/28/54/211042854.db2.gz SSYMFENHGNAGRW-MDKPJZGXSA-N 1 0 370.880 4.179 50 0 FIAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(Cl)cc2)cc1 ZINC000013512145 211038015 /nfs/dbraw/zinc/03/80/15/211038015.db2.gz JLKDNQXOAXIWJH-NRFANRHFSA-N 1 0 355.889 4.299 50 0 FIAARO CC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000013002539 211019310 /nfs/dbraw/zinc/01/93/10/211019310.db2.gz VGFSFYLZKDRJLY-FGZHOGPDSA-N 1 0 366.505 4.408 50 0 FIAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CC1=CCCCC1 ZINC000012595296 210974887 /nfs/dbraw/zinc/97/48/87/210974887.db2.gz DLRXCPZKKIXNJO-UHFFFAOYSA-N 1 0 372.528 4.429 50 0 FIAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012472104 210961825 /nfs/dbraw/zinc/96/18/25/210961825.db2.gz XEVHBWUJGRPIEB-UHFFFAOYSA-N 1 0 371.477 4.202 50 0 FIAARO COc1cccc(NC(=O)CCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000012314661 210940614 /nfs/dbraw/zinc/94/06/14/210940614.db2.gz LVPUCDRBVIXZLO-UHFFFAOYSA-N 1 0 362.539 4.022 50 0 FIAARO O=C(CSc1ccccc1F)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000007652045 210747305 /nfs/dbraw/zinc/74/73/05/210747305.db2.gz QVSKZKXWTUBLCH-UHFFFAOYSA-N 1 0 364.530 4.223 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(Cl)nc1 ZINC000005322973 210614067 /nfs/dbraw/zinc/61/40/67/210614067.db2.gz IKHSAQOVWSHWQA-UHFFFAOYSA-N 1 0 369.852 4.007 50 0 FIAARO Cc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c1 ZINC000004359564 210527710 /nfs/dbraw/zinc/52/77/10/210527710.db2.gz NKXWSQXXWKMIKP-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO C[NH+](C)CCCN(C(=O)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000004359749 210526642 /nfs/dbraw/zinc/52/66/42/210526642.db2.gz QAFDDOJUCDVPKR-UHFFFAOYSA-N 1 0 357.454 4.034 50 0 FIAARO C[NH+](C)CCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000002752996 210420573 /nfs/dbraw/zinc/42/05/73/210420573.db2.gz MZYNXKUFJXPYKU-UHFFFAOYSA-N 1 0 368.521 4.245 50 0 FIAARO CC[NH+](CC)CCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000002256060 210386092 /nfs/dbraw/zinc/38/60/92/210386092.db2.gz NTMAYZVLKLVWIG-UHFFFAOYSA-N 1 0 371.550 4.473 50 0 FIAARO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000019793458 220295749 /nfs/dbraw/zinc/29/57/49/220295749.db2.gz AEAQJUUHRYXYRZ-UHFFFAOYSA-N 1 0 352.865 4.357 50 0 FIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000010213796 210342973 /nfs/dbraw/zinc/34/29/73/210342973.db2.gz BMOMVFKJPUJULF-NRFANRHFSA-N 1 0 361.489 4.351 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000001179493 210330572 /nfs/dbraw/zinc/33/05/72/210330572.db2.gz OPFKIWVVVAIRMJ-MRXNPFEDSA-N 1 0 356.897 4.429 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)(C)C)cc1 ZINC000001208885 210334850 /nfs/dbraw/zinc/33/48/50/210334850.db2.gz HYYSHRYLGUSOGW-UHFFFAOYSA-N 1 0 362.477 4.353 50 0 FIAARO COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+](C)C)cc1 ZINC000000985418 210298301 /nfs/dbraw/zinc/29/83/01/210298301.db2.gz POVGDMXEDGPTGA-DQRAZIAOSA-N 1 0 367.518 4.409 50 0 FIAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)o1 ZINC000000934773 210291698 /nfs/dbraw/zinc/29/16/98/210291698.db2.gz PVQUUIHYNIBRRC-KRWDZBQOSA-N 1 0 371.868 4.207 50 0 FIAARO C[C@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)C[NH+]1CCCCC1 ZINC000058175519 221103365 /nfs/dbraw/zinc/10/33/65/221103365.db2.gz YLICWXUAKXZYHL-MRXNPFEDSA-N 1 0 373.472 4.007 50 0 FIAARO CC(C)c1nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2o1 ZINC000064968384 221159799 /nfs/dbraw/zinc/15/97/99/221159799.db2.gz KBTQDKDLASKREX-UHFFFAOYSA-N 1 0 357.498 4.336 50 0 FIAARO CCCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccccc2OCC)C1 ZINC000065285358 221194314 /nfs/dbraw/zinc/19/43/14/221194314.db2.gz VLVBZWXEDXPVQP-SFHVURJKSA-N 1 0 364.493 4.230 50 0 FIAARO C[NH+](C)CCn1cnc(-c2ccccc2)c1-c1ccc(-c2cncnc2)cc1 ZINC000065371974 221204233 /nfs/dbraw/zinc/20/42/33/221204233.db2.gz AQBXYBQTVHUZJR-UHFFFAOYSA-N 1 0 369.472 4.236 50 0 FIAARO Cc1ccc2ncccc2c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065386607 221208704 /nfs/dbraw/zinc/20/87/04/221208704.db2.gz RDINRSGGTWBVDR-PGRDOPGGSA-N 1 0 350.437 4.033 50 0 FIAARO Cc1cc(-n2cccn2)ccc1-c1c(-c2ccccc2)ncn1CCCC[NH3+] ZINC000065387656 221209359 /nfs/dbraw/zinc/20/93/59/221209359.db2.gz SPLPSFKBMZLSLS-UHFFFAOYSA-N 1 0 371.488 4.450 50 0 FIAARO COc1cc([C@@H](C)[NH2+]Cc2cc(C)c(OC)c(C)c2)cc(OC)c1OC ZINC000067188670 221249002 /nfs/dbraw/zinc/24/90/02/221249002.db2.gz PTTPQIOQQKIAGI-OAHLLOKOSA-N 1 0 359.466 4.189 50 0 FIAARO O[C@@H](CC[N@@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1)c1ccccc1 ZINC000067842479 221291708 /nfs/dbraw/zinc/29/17/08/221291708.db2.gz UOQWCQXOZFZJSX-IBGZPJMESA-N 1 0 370.399 4.102 50 0 FIAARO Fc1ccc(N2CC[C@@H](C[NH2+]Cc3csc(-c4ccco4)n3)C2)cc1 ZINC000067975844 221311997 /nfs/dbraw/zinc/31/19/97/221311997.db2.gz AMTMSHNNMBTJAB-AWEZNQCLSA-N 1 0 357.454 4.158 50 0 FIAARO CC[C@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1cc(C)ccn1 ZINC000067955419 221309608 /nfs/dbraw/zinc/30/96/08/221309608.db2.gz CXVIBOXSDHRZAQ-SFHVURJKSA-N 1 0 359.477 4.056 50 0 FIAARO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000069248824 221322798 /nfs/dbraw/zinc/32/27/98/221322798.db2.gz IFZOUZDBWPENAB-PIKUFOSFSA-N 1 0 358.551 4.359 50 0 FIAARO Cc1c2cc(CNC(=O)CCC[NH+](C)C)ccc2[nH]c1-c1ccccc1F ZINC000071712234 221355662 /nfs/dbraw/zinc/35/56/62/221355662.db2.gz VPZCFQFPYSXTMN-UHFFFAOYSA-N 1 0 367.468 4.240 50 0 FIAARO Cc1c(Cl)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)nc2ccccc12 ZINC000071808720 221378578 /nfs/dbraw/zinc/37/85/78/221378578.db2.gz FNHVYVMBVJKBOF-HNNXBMFYSA-N 1 0 354.885 4.310 50 0 FIAARO CCOc1cccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)c1 ZINC000071947027 221389505 /nfs/dbraw/zinc/38/95/05/221389505.db2.gz BXGPSOXYWYFOGW-QFIPXVFZSA-N 1 0 354.494 4.021 50 0 FIAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)cs1 ZINC000095523877 132214365 /nfs/dbraw/zinc/21/43/65/132214365.db2.gz QSZQIYDWWMILHF-LLVKDONJSA-N 1 0 373.551 4.084 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3ccccc3)CC2)cc1C ZINC000012299709 132855605 /nfs/dbraw/zinc/85/56/05/132855605.db2.gz GIVPXUABOBRDJQ-UHFFFAOYSA-N 1 0 360.505 4.452 50 0 FIAARO COc1ccccc1N1CC[NH+](CCOc2cc(C)ccc2C(C)C)CC1 ZINC000055505494 136126845 /nfs/dbraw/zinc/12/68/45/136126845.db2.gz ZFBWIYNRJODQKC-UHFFFAOYSA-N 1 0 368.521 4.328 50 0 FIAARO Cc1ccccc1-c1cccc(N2CCC([NH2+]Cc3cnn(C)c3)CC2)c1 ZINC000023478173 136152917 /nfs/dbraw/zinc/15/29/17/136152917.db2.gz VOZBHFBCWFQOBS-UHFFFAOYSA-N 1 0 360.505 4.154 50 0 FIAARO CC1=Nc2cc(C(=O)NCCC[NH+](C)C)ccc2Sc2ccc(F)cc21 ZINC000075567608 221588218 /nfs/dbraw/zinc/58/82/18/221588218.db2.gz MQODVRFPIXBCCE-UHFFFAOYSA-N 1 0 371.481 4.113 50 0 FIAARO CC(=O)c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cs1 ZINC000091665723 221781509 /nfs/dbraw/zinc/78/15/09/221781509.db2.gz LAWPSIQPDBICQY-NRFANRHFSA-N 1 0 374.550 4.098 50 0 FIAARO CSc1cccc(CN(C)C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000095355649 221855712 /nfs/dbraw/zinc/85/57/12/221855712.db2.gz URTVSVAXMODDJR-LJQANCHMSA-N 1 0 354.519 4.148 50 0 FIAARO C[C@H]1C[N@H+](CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@H]1C ZINC000095992874 221986598 /nfs/dbraw/zinc/98/65/98/221986598.db2.gz MNDICUAYTKIMGP-GASCZTMLSA-N 1 0 357.885 4.118 50 0 FIAARO COc1ccccc1Oc1ccccc1NC(=O)NCC(C)(C)C[NH+](C)C ZINC000096160490 222059603 /nfs/dbraw/zinc/05/96/03/222059603.db2.gz IJTIGQXYUIIBLS-UHFFFAOYSA-N 1 0 371.481 4.197 50 0 FIAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000097105340 222159532 /nfs/dbraw/zinc/15/95/32/222159532.db2.gz WQHDLIQVBITBPF-UHIISALHSA-N 1 0 356.235 4.344 50 0 FIAARO CCc1nc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)s1 ZINC000097805542 222214011 /nfs/dbraw/zinc/21/40/11/222214011.db2.gz VBQLLLSKJFBQRZ-GOSISDBHSA-N 1 0 371.550 4.361 50 0 FIAARO CC(C)c1nnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000107028261 222389327 /nfs/dbraw/zinc/38/93/27/222389327.db2.gz LXXHALZVKPMFSK-LJQANCHMSA-N 1 0 374.504 4.065 50 0 FIAARO COc1ccc(CC[NH2+]Cc2c(OC)ccc3ccccc32)cc1OC ZINC000005246618 263339714 /nfs/dbraw/zinc/33/97/14/263339714.db2.gz DNAHVUHMDMCMFB-UHFFFAOYSA-N 1 0 351.446 4.198 50 0 FIAARO Cc1cnccc1-c1ccc(C(=O)NCC2([NH+]3CCCC3)CCCC2)cc1 ZINC000426717032 263662931 /nfs/dbraw/zinc/66/29/31/263662931.db2.gz UPVQQDOBSWYFKP-UHFFFAOYSA-N 1 0 363.505 4.195 50 0 FIAARO CC(=O)c1cccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000020272456 518421065 /nfs/dbraw/zinc/42/10/65/518421065.db2.gz NNPMJPQFZXZWDA-HSZRJFAPSA-N 1 0 350.506 4.028 50 0 FIAARO CC[NH+](CC)CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000020481735 520686821 /nfs/dbraw/zinc/68/68/21/520686821.db2.gz HLQFMKXVPCAVOZ-UHFFFAOYSA-N 1 0 364.892 4.490 50 0 FIAARO CCc1cccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000020482090 521776601 /nfs/dbraw/zinc/77/66/01/521776601.db2.gz PLWKNUPGBHNJER-UHFFFAOYSA-N 1 0 352.522 4.226 50 0 FIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2F)oc1C ZINC000020857553 521874950 /nfs/dbraw/zinc/87/49/50/521874950.db2.gz CDFPYAHMUCLQNI-AWEZNQCLSA-N 1 0 350.409 4.319 50 0 FIAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020102764 524495446 /nfs/dbraw/zinc/49/54/46/524495446.db2.gz AOVCERQDFRIADG-UHFFFAOYSA-N 1 0 356.897 4.177 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000020889747 525155179 /nfs/dbraw/zinc/15/51/79/525155179.db2.gz YKOYLODWZQOISC-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO c1ccc(COc2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000020255152 526474065 /nfs/dbraw/zinc/47/40/65/526474065.db2.gz MAPHDFARDWJDGO-QFIPXVFZSA-N 1 0 350.506 4.326 50 0 FIAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000240871476 526967679 /nfs/dbraw/zinc/96/76/79/526967679.db2.gz IKVXIZPWUWALQD-IOASZLSFSA-N 1 0 354.466 4.012 50 0 FIAARO O=C(COc1ccc2ccccc2c1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000089878775 526973754 /nfs/dbraw/zinc/97/37/54/526973754.db2.gz FYMKXCIZWRXIPY-UHFFFAOYSA-N 1 0 360.457 4.453 50 0 FIAARO Clc1cccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000020500121 526980948 /nfs/dbraw/zinc/98/09/48/526980948.db2.gz SYPUCOOXQJGMMW-UHFFFAOYSA-N 1 0 365.304 4.190 50 0 FIAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000216416697 568122539 /nfs/dbraw/zinc/12/25/39/568122539.db2.gz LGLLOUPYMZRNOW-QGZVFWFLSA-N 1 0 368.506 4.022 50 0 FIAARO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000221977450 568483718 /nfs/dbraw/zinc/48/37/18/568483718.db2.gz XDHLIZFUNBHEKF-RZFNWQHOSA-N 1 0 353.506 4.194 50 0 FIAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC[NH2+]1 ZINC000426411140 570449976 /nfs/dbraw/zinc/44/99/76/570449976.db2.gz BLUYLDDFSBIGCR-MRXNPFEDSA-N 1 0 363.288 4.484 50 0 FIAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000095376968 570457985 /nfs/dbraw/zinc/45/79/85/570457985.db2.gz JUFGEWHXUYEDPB-JOCHJYFZSA-N 1 0 350.506 4.199 50 0 FIAARO CSc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000095379127 570458271 /nfs/dbraw/zinc/45/82/71/570458271.db2.gz FDMVXUHDNGLIEM-AZUAARDMSA-N 1 0 366.530 4.145 50 0 FIAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)ccc1Cl ZINC000095380898 570458942 /nfs/dbraw/zinc/45/89/42/570458942.db2.gz CPPSJIYPOQRPFX-AZUAARDMSA-N 1 0 368.908 4.385 50 0 FIAARO c1sc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc1-c1ccccc1 ZINC000095513289 570466072 /nfs/dbraw/zinc/46/60/72/570466072.db2.gz RLDICRNVJARRDN-PKOBYXMFSA-N 1 0 353.535 4.116 50 0 FIAARO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095524072 570468256 /nfs/dbraw/zinc/46/82/56/570468256.db2.gz ZCELIHYZZUJHEL-MRXNPFEDSA-N 1 0 359.857 4.300 50 0 FIAARO Cc1[nH]ccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000095530291 570469903 /nfs/dbraw/zinc/46/99/03/570469903.db2.gz SJYVQLUHEFMRQU-SFHVURJKSA-N 1 0 373.928 4.003 50 0 FIAARO CCCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000044080232 570483426 /nfs/dbraw/zinc/48/34/26/570483426.db2.gz BAEHHOIGNWFPHG-UHFFFAOYSA-N 1 0 351.494 4.425 50 0 FIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Br)cc1F ZINC000002514913 570523164 /nfs/dbraw/zinc/52/31/64/570523164.db2.gz JEHZHFHRIJIGAC-UHFFFAOYSA-N 1 0 360.226 4.191 50 0 FIAARO CCc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(CC)cc2)cc1 ZINC000002527997 570523964 /nfs/dbraw/zinc/52/39/64/570523964.db2.gz MQKBOJCDUOOOLG-UHFFFAOYSA-N 1 0 355.465 4.336 50 0 FIAARO O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000002882835 570542725 /nfs/dbraw/zinc/54/27/25/570542725.db2.gz OVVBIWZXLCTBPC-AWEZNQCLSA-N 1 0 367.276 4.105 50 0 FIAARO CCOc1ccc(I)cc1C[NH2+]C1CCCCC1 ZINC000002884371 570542801 /nfs/dbraw/zinc/54/28/01/570542801.db2.gz KPSFWJCJPQTKMR-UHFFFAOYSA-N 1 0 359.251 4.112 50 0 FIAARO CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716600 570544713 /nfs/dbraw/zinc/54/47/13/570544713.db2.gz VRKMRYOIDJUCIQ-QZTJIDSGSA-N 1 0 374.887 4.221 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004863074 570552679 /nfs/dbraw/zinc/55/26/79/570552679.db2.gz WHYKFLXIHKKUGJ-IBGZPJMESA-N 1 0 367.880 4.305 50 0 FIAARO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C(C)(C)C)c1 ZINC000004986485 570571826 /nfs/dbraw/zinc/57/18/26/570571826.db2.gz JNWIOECBPTUQEP-FQEVSTJZSA-N 1 0 353.506 4.091 50 0 FIAARO CC(C)[N@H+](CCCNC(=O)c1cc2sccc2n1C)Cc1ccccc1 ZINC000005036456 570577450 /nfs/dbraw/zinc/57/74/50/570577450.db2.gz HSUWWBYTINLYDY-UHFFFAOYSA-N 1 0 369.534 4.270 50 0 FIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000037587666 570592574 /nfs/dbraw/zinc/59/25/74/570592574.db2.gz SGJWGTNDYWOQMB-UHFFFAOYSA-N 1 0 366.505 4.275 50 0 FIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1Br ZINC000004664876 570599463 /nfs/dbraw/zinc/59/94/63/570599463.db2.gz YWVKMVVLVWWFKH-AWEZNQCLSA-N 1 0 362.267 4.126 50 0 FIAARO CCOc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OC ZINC000004670838 570600109 /nfs/dbraw/zinc/60/01/09/570600109.db2.gz VGSFOISURXGMJA-UHFFFAOYSA-N 1 0 356.285 4.208 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000011915574 570601580 /nfs/dbraw/zinc/60/15/80/570601580.db2.gz DFBWOCVBVVAHGW-NRFANRHFSA-N 1 0 370.468 4.181 50 0 biogenic FIAARO CSCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000011955982 570602933 /nfs/dbraw/zinc/60/29/33/570602933.db2.gz YSSSPJPEGWRPCI-IBGZPJMESA-N 1 0 354.510 4.006 50 0 FIAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC000426488397 570608920 /nfs/dbraw/zinc/60/89/20/570608920.db2.gz URUDDFIDMKJGBA-OAQYLSRUSA-N 1 0 373.500 4.458 50 0 FIAARO COc1ccc2cc(C[N@H+]3CC[C@]4(OC)CC[C@H](OC)C[C@H]34)ccc2c1 ZINC000426571627 570616363 /nfs/dbraw/zinc/61/63/63/570616363.db2.gz OWTNSSQZYIZOJF-FDFHNCONSA-N 1 0 355.478 4.007 50 0 FIAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(Cl)cc1 ZINC000004998044 570617133 /nfs/dbraw/zinc/61/71/33/570617133.db2.gz LTCNSWDHIICVBP-GOSISDBHSA-N 1 0 361.869 4.196 50 0 FIAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005019861 570618373 /nfs/dbraw/zinc/61/83/73/570618373.db2.gz DXUXSMJPVYBIDL-UHFFFAOYSA-N 1 0 354.233 4.411 50 0 FIAARO COc1cccc(-c2nc(=S)c3c(n2CCC[NH+](C)C)CCCC3)c1 ZINC000005027885 570618824 /nfs/dbraw/zinc/61/88/24/570618824.db2.gz UWMYPCOOAMJYTR-UHFFFAOYSA-N 1 0 357.523 4.119 50 0 FIAARO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005065471 570620410 /nfs/dbraw/zinc/62/04/10/570620410.db2.gz JJXZDNJSBJTEEE-OAHLLOKOSA-N 1 0 360.542 4.177 50 0 FIAARO C[C@@H]1CC([NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)C[C@@H](C)O1 ZINC000252479302 570622340 /nfs/dbraw/zinc/62/23/40/570622340.db2.gz BCQJMWVLQQDVBK-VVWQDTPRSA-N 1 0 366.546 4.100 50 0 FIAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000005272367 570623074 /nfs/dbraw/zinc/62/30/74/570623074.db2.gz DZQWGLDYIOCSLT-XSXQVXRUSA-N 1 0 359.510 4.407 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006698376 570652297 /nfs/dbraw/zinc/65/22/97/570652297.db2.gz LAXOOFNDFFVKBP-UHFFFAOYSA-N 1 0 373.884 4.135 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)cc1Cl ZINC000007781572 570672989 /nfs/dbraw/zinc/67/29/89/570672989.db2.gz DMIOCULAKMWJGC-UHFFFAOYSA-N 1 0 364.823 4.013 50 0 FIAARO Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011661190 570704126 /nfs/dbraw/zinc/70/41/26/570704126.db2.gz RMIPUXCUONNIQJ-QHCPKHFHSA-N 1 0 366.480 4.262 50 0 FIAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000011760791 570706279 /nfs/dbraw/zinc/70/62/79/570706279.db2.gz VVPZQCFFOAQWLI-NYXJMVDZSA-N 1 0 355.507 4.427 50 0 FIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3OCCO)C2)cc1 ZINC000011820838 570708382 /nfs/dbraw/zinc/70/83/82/570708382.db2.gz WWHKTUCMUPANOD-QFIPXVFZSA-N 1 0 368.521 4.258 50 0 FIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000011844297 570709813 /nfs/dbraw/zinc/70/98/13/570709813.db2.gz KYGDESMTSUOIRN-MRXNPFEDSA-N 1 0 373.880 4.458 50 0 FIAARO CCCn1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)c(C)n1 ZINC000011873135 570710207 /nfs/dbraw/zinc/71/02/07/570710207.db2.gz VBEUVXFHNBZJGZ-UHFFFAOYSA-N 1 0 368.525 4.232 50 0 FIAARO CCOc1ccccc1C[NH+]1CCC(CO)(CCOc2ccccc2)CC1 ZINC000011879940 570711415 /nfs/dbraw/zinc/71/14/15/570711415.db2.gz HXXBWOWVNXKSRQ-UHFFFAOYSA-N 1 0 369.505 4.129 50 0 FIAARO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC000011880704 570711454 /nfs/dbraw/zinc/71/14/54/570711454.db2.gz XVIGMJWEVLZPKU-KRWDZBQOSA-N 1 0 356.416 4.206 50 0 FIAARO O=C(CC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)Nc1ccccc1F ZINC000012028430 570714447 /nfs/dbraw/zinc/71/44/47/570714447.db2.gz JBAUYVZWEDABGZ-QGZVFWFLSA-N 1 0 366.480 4.424 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1C ZINC000012056906 570715473 /nfs/dbraw/zinc/71/54/73/570715473.db2.gz LXKYEJXHIDIDMY-GOSISDBHSA-N 1 0 371.550 4.418 50 0 FIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012056550 570715610 /nfs/dbraw/zinc/71/56/10/570715610.db2.gz QKYKQQMTTWZNNG-QFIPXVFZSA-N 1 0 373.500 4.490 50 0 FIAARO CC(C)c1nc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cs1 ZINC000012072412 570716121 /nfs/dbraw/zinc/71/61/21/570716121.db2.gz YBLOKTHVBHBJHA-KRWDZBQOSA-N 1 0 357.523 4.003 50 0 FIAARO CCOCc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)ccc1OC ZINC000012074659 570716415 /nfs/dbraw/zinc/71/64/15/570716415.db2.gz BNIQKBYZYMVULH-NRFANRHFSA-N 1 0 372.484 4.447 50 0 FIAARO CN(C(=O)CCc1ccsc1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012298309 570733370 /nfs/dbraw/zinc/73/33/70/570733370.db2.gz BSWOHASPHHLPMN-NRFANRHFSA-N 1 0 370.562 4.236 50 0 FIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1C ZINC000012306016 570734874 /nfs/dbraw/zinc/73/48/74/570734874.db2.gz KWOMTBXAYOKOME-GOSISDBHSA-N 1 0 352.478 4.110 50 0 FIAARO CCC(CC)[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012308796 570735288 /nfs/dbraw/zinc/73/52/88/570735288.db2.gz KKBOGDFCDDVVCD-IBGZPJMESA-N 1 0 353.466 4.465 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000012314260 570735928 /nfs/dbraw/zinc/73/59/28/570735928.db2.gz CLFNFTSRWZUQGV-GOSISDBHSA-N 1 0 356.897 4.119 50 0 FIAARO Cc1ccc(-n2cc(C[NH2+]CC3(C)COC3)c(-c3cccc(C)c3)n2)cc1 ZINC000012373152 570740108 /nfs/dbraw/zinc/74/01/08/570740108.db2.gz WISAKRJJFBISPA-UHFFFAOYSA-N 1 0 361.489 4.282 50 0 FIAARO C[C@@H]([NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000012383894 570740922 /nfs/dbraw/zinc/74/09/22/570740922.db2.gz BLPJADZLWZYSIL-QGZVFWFLSA-N 1 0 371.444 4.305 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000012382524 570740983 /nfs/dbraw/zinc/74/09/83/570740983.db2.gz XJUABCSJMJGPBN-UHFFFAOYSA-N 1 0 354.878 4.296 50 0 FIAARO O=C(CC1=CCCCC1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012447846 570746538 /nfs/dbraw/zinc/74/65/38/570746538.db2.gz WZPALWFCDLTIHD-JOCHJYFZSA-N 1 0 367.537 4.033 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000012457892 570747559 /nfs/dbraw/zinc/74/75/59/570747559.db2.gz AXPSGLQINUPUIR-NRFANRHFSA-N 1 0 373.500 4.014 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012586559 570751876 /nfs/dbraw/zinc/75/18/76/570751876.db2.gz IIKJLQTYZKNAQX-GOSISDBHSA-N 1 0 358.482 4.358 50 0 FIAARO CC(=O)c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012587820 570751924 /nfs/dbraw/zinc/75/19/24/570751924.db2.gz LUCOPYWIWSOUIO-LJQANCHMSA-N 1 0 357.498 4.198 50 0 FIAARO Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cc1 ZINC000012591465 570752484 /nfs/dbraw/zinc/75/24/84/570752484.db2.gz HUFXSUASMFRZCJ-XMMPIXPASA-N 1 0 362.517 4.432 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1 ZINC000004359446 570758373 /nfs/dbraw/zinc/75/83/73/570758373.db2.gz IMFFUWTZZFKINC-UHFFFAOYSA-N 1 0 361.442 4.017 50 0 FIAARO C[NH+](C)CCCN(C(=O)c1cccs1)c1nc2c(cccc2F)s1 ZINC000004359760 570758815 /nfs/dbraw/zinc/75/88/15/570758815.db2.gz FOQIOLDPQOOSKB-UHFFFAOYSA-N 1 0 363.483 4.095 50 0 FIAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000012792113 570761911 /nfs/dbraw/zinc/76/19/11/570761911.db2.gz RSXIYSRUKDUKKR-QGZVFWFLSA-N 1 0 373.884 4.389 50 0 FIAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccoc2)CC1 ZINC000012836279 570765198 /nfs/dbraw/zinc/76/51/98/570765198.db2.gz OEONPLVMEDAWAF-UHFFFAOYSA-N 1 0 353.384 4.116 50 0 FIAARO C[NH+](C)CCSc1ccc(NC(=O)Nc2cccc(Cl)c2)cn1 ZINC000064754283 570767749 /nfs/dbraw/zinc/76/77/49/570767749.db2.gz AOWUWRYKCAOBCT-UHFFFAOYSA-N 1 0 350.875 4.033 50 0 FIAARO Cc1ccccc1OC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004122060 570772858 /nfs/dbraw/zinc/77/28/58/570772858.db2.gz AWYKEYBLJROOGP-HSZRJFAPSA-N 1 0 361.485 4.437 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032721267 570780285 /nfs/dbraw/zinc/78/02/85/570780285.db2.gz VSBPTBRFPGYMSA-HSZRJFAPSA-N 1 0 358.485 4.336 50 0 FIAARO COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000018177760 570813953 /nfs/dbraw/zinc/81/39/53/570813953.db2.gz QMEZLUJJVMFDBL-IBGZPJMESA-N 1 0 373.884 4.307 50 0 FIAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(NCCc2cccs2)s1 ZINC000032854538 570822026 /nfs/dbraw/zinc/82/20/26/570822026.db2.gz OIHYORSZUVHICN-CYBMUJFWSA-N 1 0 368.597 4.221 50 0 FIAARO CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc(N)cc(N)[nH+]1 ZINC000032871078 570828118 /nfs/dbraw/zinc/82/81/18/570828118.db2.gz AWEJPJQSZINRQW-UHFFFAOYSA-N 1 0 373.526 4.009 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(F)cccc2Cl)N3)C1 ZINC000004556412 570834655 /nfs/dbraw/zinc/83/46/55/570834655.db2.gz XVRZOXCGUVKPDF-HNNXBMFYSA-N 1 0 365.861 4.348 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000046049595 570921862 /nfs/dbraw/zinc/92/18/62/570921862.db2.gz SEXWRVOTXGXOQV-CQSZACIVSA-N 1 0 354.947 4.057 50 0 FIAARO Clc1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCCC2)cc1 ZINC000046078209 570925516 /nfs/dbraw/zinc/92/55/16/570925516.db2.gz XZLYYVAPWKHJRY-UHFFFAOYSA-N 1 0 359.905 4.397 50 0 FIAARO COc1ccc2cc(C[NH2+][C@H](CN3CCCC3=O)c3ccccc3)ccc2c1 ZINC000047794692 570931383 /nfs/dbraw/zinc/93/13/83/570931383.db2.gz BGVQBTJMCDNJNQ-HSZRJFAPSA-N 1 0 374.484 4.302 50 0 FIAARO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048264375 570938981 /nfs/dbraw/zinc/93/89/81/570938981.db2.gz GPIBGGQWYNAGIK-MGPUTAFESA-N 1 0 367.518 4.114 50 0 FIAARO CC[N@@H+]1CCc2c(c3ccccc3n2CCC(=O)Nc2ccc(F)cc2)C1 ZINC000049546937 570963674 /nfs/dbraw/zinc/96/36/74/570963674.db2.gz DNFFSZQYLIWAHH-UHFFFAOYSA-N 1 0 365.452 4.187 50 0 FIAARO CCCOc1ccc(-c2c(C)n(O)c(C)c(-c3ccccc3)[n+]2=O)cc1 ZINC000136494920 570965104 /nfs/dbraw/zinc/96/51/04/570965104.db2.gz FTFNXYAFELRQLI-UHFFFAOYSA-N 1 0 351.426 4.380 50 0 FIAARO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000005073889 570966539 /nfs/dbraw/zinc/96/65/39/570966539.db2.gz MBCFSQHAVZFMOR-YIEZCRKJSA-N 1 0 369.549 4.029 50 0 FIAARO Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000072230572 570985387 /nfs/dbraw/zinc/98/53/87/570985387.db2.gz YGVUYBVSOGRYPS-HNNXBMFYSA-N 1 0 363.571 4.276 50 0 FIAARO CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582200 571014537 /nfs/dbraw/zinc/01/45/37/571014537.db2.gz BURRSHNNMZLBGU-IBGZPJMESA-N 1 0 372.534 4.494 50 0 FIAARO CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027741518 571019396 /nfs/dbraw/zinc/01/93/96/571019396.db2.gz XKYMPOGQBYRWBQ-LJQANCHMSA-N 1 0 372.534 4.350 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027794331 571021796 /nfs/dbraw/zinc/02/17/96/571021796.db2.gz DDHJDFGOZKYRKS-JOCHJYFZSA-N 1 0 366.505 4.349 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028291887 571030328 /nfs/dbraw/zinc/03/03/28/571030328.db2.gz IIECWIZMVMLGPE-QFIPXVFZSA-N 1 0 366.505 4.431 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(C)nc2ccccc21 ZINC000012689302 571043875 /nfs/dbraw/zinc/04/38/75/571043875.db2.gz HMHZPHBUUCAOQR-NZQKXSOJSA-N 1 0 371.484 4.300 50 0 FIAARO Cc1ccc2nc(C)cc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c2c1 ZINC000029836012 571044102 /nfs/dbraw/zinc/04/41/02/571044102.db2.gz VMOPCGKXTMVNNM-OAQYLSRUSA-N 1 0 365.452 4.023 50 0 FIAARO CC[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000030142434 571046040 /nfs/dbraw/zinc/04/60/40/571046040.db2.gz LNWKWWAUHFITNM-OAHLLOKOSA-N 1 0 353.491 4.045 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000008709508 571056709 /nfs/dbraw/zinc/05/67/09/571056709.db2.gz RUSDDNLWWJTBFF-YADHBBJMSA-N 1 0 366.505 4.442 50 0 FIAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nc(-c3ccccc3Cl)no2)C1 ZINC000072308137 571064951 /nfs/dbraw/zinc/06/49/51/571064951.db2.gz ZEXBWCCNYCWSLU-BFUOFWGJSA-N 1 0 363.889 4.057 50 0 FIAARO Cc1ccc2nc(C)c(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cc2c1 ZINC000039563914 571065309 /nfs/dbraw/zinc/06/53/09/571065309.db2.gz AGGWHHSVDHVPSL-UHFFFAOYSA-N 1 0 353.510 4.044 50 0 FIAARO Cc1nc2ccc(NC(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2s1 ZINC000040103252 571076297 /nfs/dbraw/zinc/07/62/97/571076297.db2.gz ZKEUYSDXPYJPBP-HNNXBMFYSA-N 1 0 360.508 4.091 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)NCc1ccccc1C[NH+](C)C ZINC000040099154 571076373 /nfs/dbraw/zinc/07/63/73/571076373.db2.gz SJSXFOGRMBAFLJ-UHFFFAOYSA-N 1 0 361.873 4.040 50 0 FIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2cccs2)cc1 ZINC000036096674 571079337 /nfs/dbraw/zinc/07/93/37/571079337.db2.gz OEONEMYCHATEDT-QGZVFWFLSA-N 1 0 363.523 4.045 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NCCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2c1C ZINC000040146748 571085559 /nfs/dbraw/zinc/08/55/59/571085559.db2.gz JELCIYUKYBFCFA-IYBDPMFKSA-N 1 0 355.526 4.273 50 0 FIAARO Brc1cc(Cc2ccccc2)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774415 571098556 /nfs/dbraw/zinc/09/85/56/571098556.db2.gz ZDJZCUFHVNMUJR-QGZVFWFLSA-N 1 0 360.295 4.418 50 0 FIAARO O=C(Nc1cccc2ncccc21)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000043431007 571100547 /nfs/dbraw/zinc/10/05/47/571100547.db2.gz XPWXOEBEUYOMDL-UHFFFAOYSA-N 1 0 366.490 4.036 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000044932993 571104904 /nfs/dbraw/zinc/10/49/04/571104904.db2.gz XHUGOSZPOPNDPT-QHCPKHFHSA-N 1 0 362.517 4.401 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000033026541 571108696 /nfs/dbraw/zinc/10/86/96/571108696.db2.gz STWWCCUZLUPTTK-DOMZBBRYSA-N 1 0 368.955 4.301 50 0 FIAARO COCc1ccc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000241911258 571110526 /nfs/dbraw/zinc/11/05/26/571110526.db2.gz UAZZFKZMKSGDHU-SFHVURJKSA-N 1 0 373.541 4.341 50 0 FIAARO Fc1ccc(OCCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000009486220 571111119 /nfs/dbraw/zinc/11/11/19/571111119.db2.gz ITXYIMJZHKRMHG-UHFFFAOYSA-N 1 0 371.481 4.027 50 0 FIAARO Fc1ccc(-n2ncc3c2ncnc3N2CCC[C@@H]2c2cccs2)cc1 ZINC000012813624 571114486 /nfs/dbraw/zinc/11/44/86/571114486.db2.gz GJPRXHDIFKGROV-MRXNPFEDSA-N 1 0 365.437 4.358 50 0 FIAARO CC(C)n1ccnc1C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000244716193 571115110 /nfs/dbraw/zinc/11/51/10/571115110.db2.gz LKHLFLWMLYZOMM-UHFFFAOYSA-N 1 0 374.916 4.326 50 0 FIAARO CC[C@@H](C)N(Cc1ccccc1F)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000055053512 571115676 /nfs/dbraw/zinc/11/56/76/571115676.db2.gz AMADMKVHIZKRCQ-QGZVFWFLSA-N 1 0 372.484 4.458 50 0 FIAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(-c2ccccc2)no1 ZINC000244778582 571116152 /nfs/dbraw/zinc/11/61/52/571116152.db2.gz PTFRLSUJKPYATR-UHFFFAOYSA-N 1 0 369.852 4.456 50 0 FIAARO COc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000244852999 571117907 /nfs/dbraw/zinc/11/79/07/571117907.db2.gz VDIJGNHWUCBARB-OAHLLOKOSA-N 1 0 374.456 4.173 50 0 FIAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccc(O)c1 ZINC000009805791 571119295 /nfs/dbraw/zinc/11/92/95/571119295.db2.gz UOJKENRZVOBTQY-UHFFFAOYSA-N 1 0 358.239 4.167 50 0 FIAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000055386703 571120411 /nfs/dbraw/zinc/12/04/11/571120411.db2.gz CFDAHRWFAHEHMO-KRWDZBQOSA-N 1 0 350.553 4.225 50 0 FIAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc([C@H]2CCCO2)s1 ZINC000055386706 571120297 /nfs/dbraw/zinc/12/02/97/571120297.db2.gz CFDAHRWFAHEHMO-QGZVFWFLSA-N 1 0 350.553 4.225 50 0 FIAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)c1C ZINC000055576068 571121485 /nfs/dbraw/zinc/12/14/85/571121485.db2.gz MVCYVVZDUSWGOA-MRXNPFEDSA-N 1 0 365.477 4.402 50 0 FIAARO Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1F ZINC000010140038 571122895 /nfs/dbraw/zinc/12/28/95/571122895.db2.gz IKGAXYPMJRTPGJ-UHFFFAOYSA-N 1 0 365.452 4.434 50 0 FIAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1)c1ccccc1C ZINC000058014322 571124179 /nfs/dbraw/zinc/12/41/79/571124179.db2.gz DGGRXQVLGNNJHM-NRFANRHFSA-N 1 0 352.478 4.194 50 0 FIAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1)c1ccccc1C ZINC000058014321 571124192 /nfs/dbraw/zinc/12/41/92/571124192.db2.gz DGGRXQVLGNNJHM-OAQYLSRUSA-N 1 0 352.478 4.194 50 0 FIAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000058163613 571126687 /nfs/dbraw/zinc/12/66/87/571126687.db2.gz ANUMHWDHTJWWBI-UHFFFAOYSA-N 1 0 365.408 4.261 50 0 FIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(OC)cc3)n2C)cc1OC ZINC000004678588 571158502 /nfs/dbraw/zinc/15/85/02/571158502.db2.gz XZHYNDGZOKFJKL-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO Cc1ccccc1CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000072122478 571170295 /nfs/dbraw/zinc/17/02/95/571170295.db2.gz QQQPYMGRHZKWEF-SFHVURJKSA-N 1 0 362.477 4.285 50 0 FIAARO O=C(CC[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000072125410 571170382 /nfs/dbraw/zinc/17/03/82/571170382.db2.gz VWNKSDCJRUOCJV-OAHLLOKOSA-N 1 0 368.443 4.019 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1csc2ccccc21 ZINC000575621848 571172838 /nfs/dbraw/zinc/17/28/38/571172838.db2.gz WCTSPOLKYHKECN-KRWDZBQOSA-N 1 0 360.429 4.212 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c(C)c1=O ZINC000072147502 571173641 /nfs/dbraw/zinc/17/36/41/571173641.db2.gz ZBHJECSGBOKHTI-QGZVFWFLSA-N 1 0 360.448 4.115 50 0 FIAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cnc(-c5ccco5)nc4)CC3)nc21 ZINC000072152394 571174658 /nfs/dbraw/zinc/17/46/58/571174658.db2.gz HGUCJLGNPVYZBH-UHFFFAOYSA-N 1 0 373.460 4.301 50 0 FIAARO c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)cc2)nc1 ZINC000072162076 571175942 /nfs/dbraw/zinc/17/59/42/571175942.db2.gz MSPRMSASLILABT-JOCHJYFZSA-N 1 0 359.473 4.325 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000035558803 571182170 /nfs/dbraw/zinc/18/21/70/571182170.db2.gz IDKBQZRSHYPAAZ-LJQANCHMSA-N 1 0 372.534 4.494 50 0 FIAARO Cc1ccc(-n2cc(CN3CC[C@@H]([NH+](C)C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072408726 571191414 /nfs/dbraw/zinc/19/14/14/571191414.db2.gz FCHRAMLCFOMRLS-HSZRJFAPSA-N 1 0 374.532 4.292 50 0 FIAARO Cc1ccc(-n2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072408725 571191459 /nfs/dbraw/zinc/19/14/59/571191459.db2.gz FCHRAMLCFOMRLS-QHCPKHFHSA-N 1 0 374.532 4.292 50 0 FIAARO O=C(NCCC[NH+]1CCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000072437158 571196518 /nfs/dbraw/zinc/19/65/18/571196518.db2.gz DPFVEFOEYWZXIM-UHFFFAOYSA-N 1 0 372.896 4.135 50 0 FIAARO CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000072480917 571199904 /nfs/dbraw/zinc/19/99/04/571199904.db2.gz XYSKAJYWBRUIPL-JOCHJYFZSA-N 1 0 360.505 4.270 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1Cl ZINC000089457470 571204182 /nfs/dbraw/zinc/20/41/82/571204182.db2.gz PATMKURMESDGRE-INIZCTEOSA-N 1 0 374.916 4.046 50 0 FIAARO CC(C)[NH+]1CCN(C(=O)c2ccc(-c3ccc4scnc4c3)cc2)CC1 ZINC000534650056 571207509 /nfs/dbraw/zinc/20/75/09/571207509.db2.gz UVKODMFNIYINQX-UHFFFAOYSA-N 1 0 365.502 4.130 50 0 FIAARO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)no1 ZINC000077459588 571212601 /nfs/dbraw/zinc/21/26/01/571212601.db2.gz JZYQZGNJAMIQDW-IBGZPJMESA-N 1 0 355.482 4.227 50 0 FIAARO c1nc(C2CCCCC2)ncc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077471759 571212903 /nfs/dbraw/zinc/21/29/03/571212903.db2.gz SAEGJUJDQSIHPR-NRFANRHFSA-N 1 0 356.558 4.365 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000043750034 571217582 /nfs/dbraw/zinc/21/75/82/571217582.db2.gz KWTAZIQORZRDGO-MRXNPFEDSA-N 1 0 371.333 4.407 50 0 FIAARO CC[C@@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c(C)cc(N)[nH+]c2C)cc1 ZINC000426526468 571230158 /nfs/dbraw/zinc/23/01/58/571230158.db2.gz SBLCDBYNJRWXOA-FQEVSTJZSA-N 1 0 374.488 4.396 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)CCCCC1 ZINC000426701667 571235738 /nfs/dbraw/zinc/23/57/38/571235738.db2.gz SDLPLNVMBTWCRB-UHFFFAOYSA-N 1 0 352.478 4.054 50 0 FIAARO CN(C[C@H]1CCC[NH2+]C1)C(=O)c1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000426723807 571236708 /nfs/dbraw/zinc/23/67/08/571236708.db2.gz AOWABAYANIOFKX-AWEZNQCLSA-N 1 0 360.860 4.218 50 0 FIAARO COc1cc(C[N@H+](CCC(C)C)C[C@@H](O)c2ccccc2)cc(OC)c1 ZINC000036095129 571240775 /nfs/dbraw/zinc/24/07/75/571240775.db2.gz IBUZAXKWOIQVJE-JOCHJYFZSA-N 1 0 357.494 4.286 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095305 571240818 /nfs/dbraw/zinc/24/08/18/571240818.db2.gz UZBHGCUGTRSXCE-NRFANRHFSA-N 1 0 371.521 4.292 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036098921 571241389 /nfs/dbraw/zinc/24/13/89/571241389.db2.gz GSVFDHHQPLTUFJ-REWPJTCUSA-N 1 0 355.522 4.482 50 0 FIAARO COc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102163 571241906 /nfs/dbraw/zinc/24/19/06/571241906.db2.gz HOCKBNYVEMVBIC-HSZRJFAPSA-N 1 0 361.485 4.301 50 0 FIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCCc1cn(C)c2ccccc12 ZINC000006782699 571246274 /nfs/dbraw/zinc/24/62/74/571246274.db2.gz SBLCWCGYTBJALC-KDURUIRLSA-N 1 0 369.553 4.270 50 0 FIAARO Cc1ccccc1NC(=O)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877391 571252181 /nfs/dbraw/zinc/25/21/81/571252181.db2.gz DFLYCCAEAFTREA-LJQANCHMSA-N 1 0 363.505 4.297 50 0 FIAARO FC(F)SCc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000007003016 571256941 /nfs/dbraw/zinc/25/69/41/571256941.db2.gz VWNGHXBOUQDCPN-UHFFFAOYSA-N 1 0 366.477 4.490 50 0 FIAARO Cc1csc(C2([NH2+][C@H](C)CC(=O)Nc3ccc(C)cc3C)CCC2)n1 ZINC000170067325 571261576 /nfs/dbraw/zinc/26/15/76/571261576.db2.gz OSHCTKYYFRVIDO-OAHLLOKOSA-N 1 0 357.523 4.454 50 0 FIAARO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3sccc3Cl)ccc2NC1=O ZINC000170615835 571268241 /nfs/dbraw/zinc/26/82/41/571268241.db2.gz WURZXPFKLMGXKZ-QMTHXVAHSA-N 1 0 350.871 4.362 50 0 FIAARO COC1CCN(c2ccc(F)cc2C[N@H+](C)C2Cc3ccccc3C2)CC1 ZINC000170625030 571269130 /nfs/dbraw/zinc/26/91/30/571269130.db2.gz HGOJZTTYYFMFHH-UHFFFAOYSA-N 1 0 368.496 4.040 50 0 FIAARO CC[NH+](CC)CCCN(C)C(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000005050003 571271060 /nfs/dbraw/zinc/27/10/60/571271060.db2.gz JSLSHRTYMFHXFN-UHFFFAOYSA-N 1 0 372.534 4.420 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)C3CCCCC3)sc2c1 ZINC000006931575 571272124 /nfs/dbraw/zinc/27/21/24/571272124.db2.gz MBSUOYPZKSYDLG-UHFFFAOYSA-N 1 0 359.539 4.470 50 0 FIAARO C[C@H]1C[NH+](CCCNc2cc(C(F)(F)F)nc3ccccc32)C[C@H](C)O1 ZINC000089936640 571274205 /nfs/dbraw/zinc/27/42/05/571274205.db2.gz ASCLLYJBEUMKJR-KBPBESRZSA-N 1 0 367.415 4.165 50 0 FIAARO CC[C@@H](C)[NH2+]CCOCCOc1c(Cl)cc(C)cc1Br ZINC000002823555 571275805 /nfs/dbraw/zinc/27/58/05/571275805.db2.gz YRPBCCVACWCOGC-GFCCVEGCSA-N 1 0 364.711 4.194 50 0 FIAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037560329 571288012 /nfs/dbraw/zinc/28/80/12/571288012.db2.gz JFCLNINBHAZIFO-UHFFFAOYSA-N 1 0 370.468 4.242 50 0 FIAARO CCCC[NH+]1CCN(C(=O)c2cccc(-c3ccc(O)c(C)c3C)c2)CC1 ZINC000584884165 571313343 /nfs/dbraw/zinc/31/33/43/571313343.db2.gz PBTSCNVZWOJZEP-UHFFFAOYSA-N 1 0 366.505 4.234 50 0 FIAARO C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466107 571330414 /nfs/dbraw/zinc/33/04/14/571330414.db2.gz JKSWQEKCGQVFMO-GDBMZVCRSA-N 1 0 360.860 4.120 50 0 FIAARO CC(C)(c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)c1cccnc1 ZINC000095469314 571330692 /nfs/dbraw/zinc/33/06/92/571330692.db2.gz GSNYUBFTHXCDCC-UHFFFAOYSA-N 1 0 362.477 4.443 50 0 FIAARO COc1cccc2cc(C[NH2+]C[C@H](O)c3cc4ccccc4s3)oc21 ZINC000095965137 571333141 /nfs/dbraw/zinc/33/31/41/571333141.db2.gz LZQSOVTWTQQEFQ-INIZCTEOSA-N 1 0 353.443 4.479 50 0 FIAARO C[C@H](Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003539 571333864 /nfs/dbraw/zinc/33/38/64/571333864.db2.gz WANULFVADKJCOY-AZUAARDMSA-N 1 0 363.505 4.136 50 0 FIAARO Cc1ccccc1O[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000096027291 571334083 /nfs/dbraw/zinc/33/40/83/571334083.db2.gz FZUBFAHYPAXZMU-QFIPXVFZSA-N 1 0 368.521 4.350 50 0 FIAARO O=C(c1cccc(Cl)c1Cl)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037929 571335522 /nfs/dbraw/zinc/33/55/22/571335522.db2.gz SWWNOFPILGOGIN-UHFFFAOYSA-N 1 0 369.317 4.403 50 0 FIAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000002933972 571341980 /nfs/dbraw/zinc/34/19/80/571341980.db2.gz RMDOVFZDONAWJT-CQSZACIVSA-N 1 0 362.930 4.057 50 0 FIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC000057403179 571343162 /nfs/dbraw/zinc/34/31/62/571343162.db2.gz HTQHVMDWRLKFHK-HXUWFJFHSA-N 1 0 365.429 4.147 50 0 FIAARO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810638 571343365 /nfs/dbraw/zinc/34/33/65/571343365.db2.gz LMJIMYOJVOMEEH-IBGZPJMESA-N 1 0 360.860 4.057 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)c(C)c1 ZINC000003049920 571344157 /nfs/dbraw/zinc/34/41/57/571344157.db2.gz YRNBISWNYKKVFT-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1C ZINC000003049964 571344165 /nfs/dbraw/zinc/34/41/65/571344165.db2.gz KOJCLNXNQYHPHL-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)cc1 ZINC000003418316 571349341 /nfs/dbraw/zinc/34/93/41/571349341.db2.gz LDVYYFWQSZETHU-FQEVSTJZSA-N 1 0 365.473 4.135 50 0 FIAARO COc1ccccc1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003420138 571349362 /nfs/dbraw/zinc/34/93/62/571349362.db2.gz IPPQCOQWYZQSQG-UHFFFAOYSA-N 1 0 374.484 4.357 50 0 FIAARO O[C@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000004086880 571355016 /nfs/dbraw/zinc/35/50/16/571355016.db2.gz HSUAXACORVUTNN-FQEVSTJZSA-N 1 0 359.852 4.129 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000008003752 571358339 /nfs/dbraw/zinc/35/83/39/571358339.db2.gz XPZOGBSQVHPWHY-IBGZPJMESA-N 1 0 364.848 4.413 50 0 FIAARO COc1cccc(NC(=O)CN(C)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000008065843 571358737 /nfs/dbraw/zinc/35/87/37/571358737.db2.gz CGCVKANTLLTZIP-UHFFFAOYSA-N 1 0 360.457 4.433 50 0 FIAARO O=c1cc(NC2CC[NH+](C/C=C\c3ccccc3)CC2)c2ccccc2o1 ZINC000038153859 571358918 /nfs/dbraw/zinc/35/89/18/571358918.db2.gz FIRKPDSIWCEKFV-TWGQIWQCSA-N 1 0 360.457 4.383 50 0 FIAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000581806925 1084620274 /nfs/dbraw/zinc/62/02/74/1084620274.db2.gz DKFSTUMXVOSCAL-QGZVFWFLSA-N 1 0 374.488 4.170 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C(C)C)cc1 ZINC000005825131 1094282605 /nfs/dbraw/zinc/28/26/05/1094282605.db2.gz ACFMQNZEFSOBOS-SIKLNZKXSA-N 1 0 369.505 4.395 50 0 FIAARO CCC(CC)(C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000262061226 1102979042 /nfs/dbraw/zinc/97/90/42/1102979042.db2.gz RQGLKDWPDDZOSP-KRWDZBQOSA-N 1 0 357.325 4.249 50 0 FIAARO Cc1nc(N2CCC[C@@H]([NH2+]C(C3CC3)C3CC3)CC2)nc2ccc(F)cc12 ZINC000012470130 1124200378 /nfs/dbraw/zinc/20/03/78/1124200378.db2.gz ZEBIGBHORLMQHH-GOSISDBHSA-N 1 0 368.500 4.214 50 0 FIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000752245 210267035 /nfs/dbraw/zinc/26/70/35/210267035.db2.gz WKLBZXCFBNMACW-JOCHJYFZSA-N 1 0 350.506 4.434 50 0 FIAARO O[C@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1cccc(Cl)c1 ZINC000000622944 210251642 /nfs/dbraw/zinc/25/16/42/210251642.db2.gz MXWQREAOCREZQI-FQEVSTJZSA-N 1 0 359.852 4.129 50 0 FIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000253410982 210215656 /nfs/dbraw/zinc/21/56/56/210215656.db2.gz OAHKKQFVPNJZBZ-SIKLNZKXSA-N 1 0 367.537 4.214 50 0 biogenic FIAARO C=C1[NH+]=C(N)S[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000001410005 210076143 /nfs/dbraw/zinc/07/61/43/210076143.db2.gz ZXPJZWSCQSVRBC-ZDUSSCGKSA-N 1 0 358.385 4.034 50 0 FIAARO Cc1cc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)on1 ZINC000299796332 210038131 /nfs/dbraw/zinc/03/81/31/210038131.db2.gz QKJQXGFINRCHQM-MRXNPFEDSA-N 1 0 356.470 4.021 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000299795729 210035706 /nfs/dbraw/zinc/03/57/06/210035706.db2.gz LRZPKUNQODOAJV-OAQYLSRUSA-N 1 0 369.440 4.225 50 0 FIAARO Cc1ccc(CSc2ccccc2NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000299793218 210034447 /nfs/dbraw/zinc/03/44/47/210034447.db2.gz HGUDAAVZIPFHDL-UHFFFAOYSA-N 1 0 357.523 4.313 50 0 FIAARO O=C1C[C@@H](C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC2)CN1c1ccccc1 ZINC000299795574 210036578 /nfs/dbraw/zinc/03/65/78/210036578.db2.gz LRINYSDTKQTDSH-SFHVURJKSA-N 1 0 359.473 4.185 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@H](C)CC(C)C)CC3)c2)n1 ZINC000063884490 212034816 /nfs/dbraw/zinc/03/48/16/212034816.db2.gz CGQXETPMCRXYPZ-QGZVFWFLSA-N 1 0 352.526 4.445 50 0 FIAARO C[C@@H]1C[N@@H+](C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CCN1C ZINC000063885119 212036093 /nfs/dbraw/zinc/03/60/93/212036093.db2.gz OHIQIOQWPFLBLS-GOSISDBHSA-N 1 0 367.512 4.097 50 0 FIAARO C[C@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000060156267 212018206 /nfs/dbraw/zinc/01/82/06/212018206.db2.gz VMEDIUXAECSOTF-JKSUJKDBSA-N 1 0 370.459 4.436 50 0 FIAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2)cc1 ZINC000012715325 220021266 /nfs/dbraw/zinc/02/12/66/220021266.db2.gz XTTLGSBEMMDWLX-QHCPKHFHSA-N 1 0 354.538 4.425 50 0 FIAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1OC ZINC000012713289 220021743 /nfs/dbraw/zinc/02/17/43/220021743.db2.gz PDCDDPDCAYFISA-INIZCTEOSA-N 1 0 373.880 4.452 50 0 FIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1Cl ZINC000012677303 220017205 /nfs/dbraw/zinc/01/72/05/220017205.db2.gz NYDXVNLXYTXEJP-ORAYPTAESA-N 1 0 358.869 4.417 50 0 FIAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000012710874 220019129 /nfs/dbraw/zinc/01/91/29/220019129.db2.gz YBCZQOFCJYUMMS-HXUWFJFHSA-N 1 0 360.457 4.338 50 0 FIAARO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000058441577 212011222 /nfs/dbraw/zinc/01/12/22/212011222.db2.gz UMZWLLSJVHWNHZ-KRWDZBQOSA-N 1 0 357.473 4.217 50 0 FIAARO O=C(N1CCc2ccccc21)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000058367159 212006816 /nfs/dbraw/zinc/00/68/16/212006816.db2.gz CGLPYMCZVYGWRO-HXUWFJFHSA-N 1 0 374.406 4.030 50 0 FIAARO CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000058145978 211985517 /nfs/dbraw/zinc/98/55/17/211985517.db2.gz CGCDRFHPITYJQX-IBGZPJMESA-N 1 0 374.529 4.057 50 0 FIAARO CCOC(=O)c1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325222 220063755 /nfs/dbraw/zinc/06/37/55/220063755.db2.gz GPNIJORFPYCULU-UHFFFAOYSA-N 1 0 367.449 4.103 50 0 FIAARO COC(=O)c1ccc(C[NH+]2CCC(COCc3ccc(F)cc3)CC2)cc1 ZINC000013730124 220090358 /nfs/dbraw/zinc/09/03/58/220090358.db2.gz PHEZTZVFWVWYHP-UHFFFAOYSA-N 1 0 371.452 4.041 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1csc2c1CCCC2 ZINC000023737805 211394455 /nfs/dbraw/zinc/39/44/55/211394455.db2.gz DRERWJMXNKMJRC-IBGZPJMESA-N 1 0 354.519 4.194 50 0 FIAARO CCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1OC ZINC000023650891 211393552 /nfs/dbraw/zinc/39/35/52/211393552.db2.gz ROVZFVAJVWBMCQ-UHFFFAOYSA-N 1 0 374.525 4.013 50 0 FIAARO OC1(c2ccc(Br)cc2)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023282017 211382795 /nfs/dbraw/zinc/38/27/95/211382795.db2.gz YVDHTTVTBFBFKQ-QPJJXVBHSA-N 1 0 372.306 4.446 50 0 FIAARO CCc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(C)s2)[NH+](C)C)cc1 ZINC000022684003 211361111 /nfs/dbraw/zinc/36/11/11/211361111.db2.gz IQWRGFXGXFBPAX-GOSISDBHSA-N 1 0 372.534 4.001 50 0 FIAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000022335615 211346919 /nfs/dbraw/zinc/34/69/19/211346919.db2.gz SLWNLEZVSFIJSO-CQSZACIVSA-N 1 0 363.889 4.235 50 0 FIAARO CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000022619166 211358268 /nfs/dbraw/zinc/35/82/68/211358268.db2.gz NIJJTCJVWBEVMY-FCHUYYIVSA-N 1 0 366.505 4.142 50 0 FIAARO CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000022619170 211358066 /nfs/dbraw/zinc/35/80/66/211358066.db2.gz NIJJTCJVWBEVMY-VXKWHMMOSA-N 1 0 366.505 4.142 50 0 FIAARO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000021835674 211326431 /nfs/dbraw/zinc/32/64/31/211326431.db2.gz PVSYMFXIUKBAGQ-MRXNPFEDSA-N 1 0 352.265 4.418 50 0 FIAARO Cc1cccc(C[NH+]2CCC(CNc3nc(-c4ccccc4)no3)CC2)c1 ZINC000021629791 211318350 /nfs/dbraw/zinc/31/83/50/211318350.db2.gz ZSLBFKYZVFCNGE-UHFFFAOYSA-N 1 0 362.477 4.369 50 0 FIAARO Cc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021169803 211309870 /nfs/dbraw/zinc/30/98/70/211309870.db2.gz NOXQTTDWSQRJNF-DNQXCXABSA-N 1 0 367.533 4.345 50 0 FIAARO CC[C@@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000021170360 211309705 /nfs/dbraw/zinc/30/97/05/211309705.db2.gz FMRDNMNLODQRLF-FGZHOGPDSA-N 1 0 373.924 4.362 50 0 FIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1F ZINC000021718239 211323259 /nfs/dbraw/zinc/32/32/59/211323259.db2.gz QTEVXVVBGLUMHN-HOTGVXAUSA-N 1 0 361.505 4.356 50 0 FIAARO Cc1ccc(-c2noc3ncnc(NCC[N@@H+](C)Cc4ccccc4)c23)cc1 ZINC000021715108 211321294 /nfs/dbraw/zinc/32/12/94/211321294.db2.gz ZTRXLCHSWLEUAZ-UHFFFAOYSA-N 1 0 373.460 4.137 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714520 211320695 /nfs/dbraw/zinc/32/06/95/211320695.db2.gz ZKBBFOFYAGIURQ-CYBMUJFWSA-N 1 0 371.872 4.225 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1SCCC2=O ZINC000021103301 211305089 /nfs/dbraw/zinc/30/50/89/211305089.db2.gz ZLIXVWLGKYDKIN-UHFFFAOYSA-N 1 0 366.486 4.213 50 0 FIAARO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000020639637 211290933 /nfs/dbraw/zinc/29/09/33/211290933.db2.gz QZZVBNCYAJUNSK-HNNXBMFYSA-N 1 0 367.605 4.152 50 0 FIAARO CC1(C)C[C@@](CC[NH+]2CCOCC2)(c2cccc(C(F)(F)F)c2)CCO1 ZINC000020573714 211287580 /nfs/dbraw/zinc/28/75/80/211287580.db2.gz BTEVEUVEOXCPKB-IBGZPJMESA-N 1 0 371.443 4.255 50 0 FIAARO O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000020532100 211286474 /nfs/dbraw/zinc/28/64/74/211286474.db2.gz AKNSTAMEXGRMFC-UHFFFAOYSA-N 1 0 373.585 4.253 50 0 FIAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000020454001 211281699 /nfs/dbraw/zinc/28/16/99/211281699.db2.gz UEOIJBWJXKOHRS-MRXNPFEDSA-N 1 0 357.498 4.005 50 0 FIAARO O[C@H](CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccc1 ZINC000019924900 211262363 /nfs/dbraw/zinc/26/23/63/211262363.db2.gz SDFVXBXYXAQAQQ-XMMPIXPASA-N 1 0 370.496 4.108 50 0 FIAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019364141 211219584 /nfs/dbraw/zinc/21/95/84/211219584.db2.gz OWGHSDXRNVLLLV-MAUKXSAKSA-N 1 0 351.332 4.145 50 0 FIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000019362919 211219149 /nfs/dbraw/zinc/21/91/49/211219149.db2.gz SCJUHVVPLYMLCN-MAUKXSAKSA-N 1 0 351.332 4.145 50 0 FIAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2)C[C@@]1(C)CO ZINC000019146093 211203062 /nfs/dbraw/zinc/20/30/62/211203062.db2.gz AOOUYCCHJQSCNY-HJNYFJLDSA-N 1 0 372.940 4.264 50 0 FIAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000019222928 211207082 /nfs/dbraw/zinc/20/70/82/211207082.db2.gz OOKMUWRRFRJRIZ-MRXNPFEDSA-N 1 0 369.900 4.152 50 0 FIAARO COc1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC ZINC000017317288 211184248 /nfs/dbraw/zinc/18/42/48/211184248.db2.gz CRKFBMLYCVMKHL-HNNXBMFYSA-N 1 0 355.478 4.442 50 0 FIAARO O[C@@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000016477489 211160663 /nfs/dbraw/zinc/16/06/63/211160663.db2.gz UOBRZBZNIBUXSZ-QFIPXVFZSA-N 1 0 351.421 4.228 50 0 FIAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860034 211147784 /nfs/dbraw/zinc/14/77/84/211147784.db2.gz HCSQJABJPMERJZ-IBGZPJMESA-N 1 0 356.466 4.024 50 0 FIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2F)CC1 ZINC000015679773 211137573 /nfs/dbraw/zinc/13/75/73/211137573.db2.gz SGKIISKZDBPGRW-UHFFFAOYSA-N 1 0 361.486 4.406 50 0 FIAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000015671457 211136503 /nfs/dbraw/zinc/13/65/03/211136503.db2.gz CVHBZVPDWFXZJN-UHFFFAOYSA-N 1 0 355.409 4.353 50 0 FIAARO c1ccc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000015356885 211128968 /nfs/dbraw/zinc/12/89/68/211128968.db2.gz DNYJJMZXTLPOPO-UHFFFAOYSA-N 1 0 361.441 4.327 50 0 FIAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](CC=C(C)C)C2)cc(OC)c1 ZINC000015074328 211120279 /nfs/dbraw/zinc/12/02/79/211120279.db2.gz DZSQQUXAKXDBFC-KRWDZBQOSA-N 1 0 360.498 4.101 50 0 FIAARO COc1ccc(F)c(-c2nc(C[N@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)c1 ZINC000014972540 211109673 /nfs/dbraw/zinc/10/96/73/211109673.db2.gz UMGQYGSUUHXYFN-KRWDZBQOSA-N 1 0 374.456 4.189 50 0 FIAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cc(Cl)ccc1F ZINC000014947783 211106695 /nfs/dbraw/zinc/10/66/95/211106695.db2.gz RMSWSWUSQZVBNL-HNNXBMFYSA-N 1 0 352.881 4.396 50 0 FIAARO C[C@@H]([NH2+][C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc21 ZINC000014157439 211079048 /nfs/dbraw/zinc/07/90/48/211079048.db2.gz CZDZLNZAPGIGON-WZONZLPQSA-N 1 0 374.484 4.091 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc(Cl)cc1 ZINC000013152732 211026172 /nfs/dbraw/zinc/02/61/72/211026172.db2.gz NFZGAICDILYENF-PKOBYXMFSA-N 1 0 355.869 4.488 50 0 FIAARO C[NH+](C)C1(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CCCCCC1 ZINC000012912090 211007611 /nfs/dbraw/zinc/00/76/11/211007611.db2.gz YUAOHZWBGDQGMA-UHFFFAOYSA-N 1 0 373.541 4.056 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000012913122 211007091 /nfs/dbraw/zinc/00/70/91/211007091.db2.gz VUBJFOMPFVZZMW-RTBURBONSA-N 1 0 350.506 4.260 50 0 FIAARO COc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000012986731 211014816 /nfs/dbraw/zinc/01/48/16/211014816.db2.gz IGETUMZLUPVQKO-LJQANCHMSA-N 1 0 373.884 4.307 50 0 FIAARO COc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012977125 211013413 /nfs/dbraw/zinc/01/34/13/211013413.db2.gz TWCZPVIKMSLYDQ-SFHVURJKSA-N 1 0 373.884 4.307 50 0 FIAARO COc1ccc2cc(C[N@H+](C)CCC(=O)NC3CCCCC3)ccc2c1 ZINC000012872754 211002586 /nfs/dbraw/zinc/00/25/86/211002586.db2.gz VGBUHWGLCNWEIZ-UHFFFAOYSA-N 1 0 354.494 4.119 50 0 FIAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1c(F)cccc1Cl ZINC000011840967 210898295 /nfs/dbraw/zinc/89/82/95/210898295.db2.gz TZLATAVDCRSYLD-OAHLLOKOSA-N 1 0 352.881 4.254 50 0 FIAARO Cc1c2cccc(F)c2oc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008076381 210768443 /nfs/dbraw/zinc/76/84/43/210768443.db2.gz KHPVKQAGIRKRPR-UHFFFAOYSA-N 1 0 366.436 4.406 50 0 FIAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1OC ZINC000005295623 210613017 /nfs/dbraw/zinc/61/30/17/210613017.db2.gz GRNHWVZRTOCEGS-VQTJNVASSA-N 1 0 369.505 4.220 50 0 FIAARO Cc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)c1 ZINC000004359751 210526546 /nfs/dbraw/zinc/52/65/46/210526546.db2.gz RWXSIPIVACWWSM-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CCCC[NH+](CCCC)CCCn1cnc2c3ccccc3[nH]c2c1=O ZINC000002334419 210392253 /nfs/dbraw/zinc/39/22/53/210392253.db2.gz KELDOZJUKUGAFF-UHFFFAOYSA-N 1 0 354.498 4.170 50 0 FIAARO Cc1cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)ccc1Br ZINC000001175476 210329962 /nfs/dbraw/zinc/32/99/62/210329962.db2.gz MXZOQPCVEZLXJI-UHFFFAOYSA-N 1 0 373.294 4.144 50 0 FIAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000000819254 210275490 /nfs/dbraw/zinc/27/54/90/210275490.db2.gz PNGZNKKXRJSADS-UHFFFAOYSA-N 1 0 356.897 4.177 50 0 FIAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000020992886 220347197 /nfs/dbraw/zinc/34/71/97/220347197.db2.gz IGKHTEYGFMEQJT-CYBMUJFWSA-N 1 0 357.379 4.484 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ccco2)C1 ZINC000048343383 221009013 /nfs/dbraw/zinc/00/90/13/221009013.db2.gz WESOEMVVYREPPO-QZTJIDSGSA-N 1 0 354.494 4.007 50 0 FIAARO COc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC ZINC000057869493 221095506 /nfs/dbraw/zinc/09/55/06/221095506.db2.gz RALJKPPXOGVXIV-UHFFFAOYSA-N 1 0 374.912 4.111 50 0 FIAARO COc1cccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c1OC ZINC000057995767 221096790 /nfs/dbraw/zinc/09/67/90/221096790.db2.gz LWZMSXFVIDBKMA-UHFFFAOYSA-N 1 0 374.912 4.111 50 0 FIAARO Cc1cc2oc(=O)cc(C[NH2+][C@@H](Cn3cccn3)c3ccccc3)c2cc1C ZINC000065408662 221216140 /nfs/dbraw/zinc/21/61/40/221216140.db2.gz CAOIKQFXVMJGBJ-NRFANRHFSA-N 1 0 373.456 4.137 50 0 FIAARO CCn1cncc1-c1c(-c2ccccc2)ncn1C[C@H](C)C[N@H+](C)CC ZINC000065425731 221217018 /nfs/dbraw/zinc/21/70/18/221217018.db2.gz NKLWIFGIRHJNON-QGZVFWFLSA-N 1 0 351.498 4.021 50 0 FIAARO c1c2ccccc2oc1-c1cc([C@@H]2CC[N@@H+](Cc3cncnc3)C2)ccn1 ZINC000065460829 221221778 /nfs/dbraw/zinc/22/17/78/221221778.db2.gz RIGSLSCANOOLSG-LJQANCHMSA-N 1 0 356.429 4.274 50 0 FIAARO Cc1ccc(NC(=O)C[NH2+]Cc2ccc(-c3ccccn3)s2)c(C)c1 ZINC000065497004 221227358 /nfs/dbraw/zinc/22/73/58/221227358.db2.gz VLCRUZGHGHLRGV-UHFFFAOYSA-N 1 0 351.475 4.155 50 0 FIAARO CCCC(=O)N1CCC([NH2+][C@H](c2cccnc2)c2ccc(C)cc2C)CC1 ZINC000067726427 221277678 /nfs/dbraw/zinc/27/76/78/221277678.db2.gz ISRNZOJLEFCFEQ-HSZRJFAPSA-N 1 0 365.521 4.169 50 0 FIAARO C[C@H](c1ccc(-c2ccc(O)c(-c3ccno3)c2)cc1)[NH+]1CCOCC1 ZINC000067954425 221307764 /nfs/dbraw/zinc/30/77/64/221307764.db2.gz JQFHGJISADJMAT-OAHLLOKOSA-N 1 0 350.418 4.107 50 0 FIAARO CN(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCCCC1 ZINC000070019220 221330421 /nfs/dbraw/zinc/33/04/21/221330421.db2.gz OWXPBVMUZBQLQI-UHFFFAOYSA-N 1 0 357.542 4.405 50 0 FIAARO c1ccc([C@@H]2C[N@@H+](Cc3cccc4ncccc34)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071498482 221350815 /nfs/dbraw/zinc/35/08/15/221350815.db2.gz XBZDBJVFNMHDSA-ICDZXHCJSA-N 1 0 369.512 4.297 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071708175 221354681 /nfs/dbraw/zinc/35/46/81/221354681.db2.gz VPZFQOLQGTVSKP-QGZVFWFLSA-N 1 0 374.479 4.422 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cn1 ZINC000071765554 221372199 /nfs/dbraw/zinc/37/21/99/221372199.db2.gz YUZIVAMOZQUBTL-KRWDZBQOSA-N 1 0 356.489 4.282 50 0 FIAARO COc1cccc([C@@H](C[NH2+]Cc2c(F)cccc2Cl)N2CCCC2)c1 ZINC000071798729 221377477 /nfs/dbraw/zinc/37/74/77/221377477.db2.gz JSKDIZQMOWGQHD-HXUWFJFHSA-N 1 0 362.876 4.414 50 0 FIAARO O[C@H](c1ccccc1)C1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000071817099 221379331 /nfs/dbraw/zinc/37/93/31/221379331.db2.gz TWZBRVBUBVEFEJ-JOCHJYFZSA-N 1 0 350.462 4.206 50 0 FIAARO CCCc1nc(C)cc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)n1 ZINC000095515263 132213608 /nfs/dbraw/zinc/21/36/08/132213608.db2.gz UCEVKTSAYOKGOM-UHFFFAOYSA-N 1 0 358.917 4.150 50 0 FIAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008344100 132260289 /nfs/dbraw/zinc/26/02/89/132260289.db2.gz NYYIASPMAFCDDA-LJQANCHMSA-N 1 0 365.521 4.444 50 0 FIAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCc2cc(F)c(F)cc21 ZINC000058332123 132303678 /nfs/dbraw/zinc/30/36/78/132303678.db2.gz RLMPURRGPYVGMW-SFHVURJKSA-N 1 0 370.443 4.156 50 0 FIAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2oc3ccccc3c2C)CC1 ZINC000007107216 132839307 /nfs/dbraw/zinc/83/93/07/132839307.db2.gz GNTVNRRQELVNQD-UHFFFAOYSA-N 1 0 363.461 4.135 50 0 FIAARO Fc1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000061967377 136132814 /nfs/dbraw/zinc/13/28/14/136132814.db2.gz MCUAONSRKDHYPR-UHFFFAOYSA-N 1 0 368.374 4.046 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH2+]C4CCCCC4)CC3)c2)n1 ZINC000063869425 136133000 /nfs/dbraw/zinc/13/30/00/136133000.db2.gz NIEKVOXRRRWZFF-UHFFFAOYSA-N 1 0 350.510 4.343 50 0 FIAARO CO[C@H]1CCCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000076500501 221594723 /nfs/dbraw/zinc/59/47/23/221594723.db2.gz QGFSSZSNLJHYRK-IBGZPJMESA-N 1 0 359.514 4.094 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1 ZINC000096132851 222038103 /nfs/dbraw/zinc/03/81/03/222038103.db2.gz IBLBSEJBNUEPSN-GOSISDBHSA-N 1 0 366.509 4.162 50 0 FIAARO Cc1ccc2ncccc2c1C[NH+]1CCC(c2nc(C(C)C)no2)CC1 ZINC000097288830 222172615 /nfs/dbraw/zinc/17/26/15/222172615.db2.gz VSUKBEURPVLBOK-UHFFFAOYSA-N 1 0 350.466 4.429 50 0 FIAARO Cc1ccc([C@@H]([C@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000101013984 222258863 /nfs/dbraw/zinc/25/88/63/222258863.db2.gz BDUJJSNDCGLHIS-GMAHTHKFSA-N 1 0 362.473 4.247 50 0 FIAARO Cc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Br)cc2)c(C)n1O ZINC000103719468 222342045 /nfs/dbraw/zinc/34/20/45/222342045.db2.gz LCXUZIYCPOSVKV-UHFFFAOYSA-N 1 0 372.242 4.353 50 0 FIAARO CC(=O)c1ccc(F)c(-c2ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc2)c1 ZINC000426574813 263637126 /nfs/dbraw/zinc/63/71/26/263637126.db2.gz SNOIZYUNLVTNOC-UHFFFAOYSA-N 1 0 370.468 4.013 50 0 FIAARO CC(=O)c1cc(CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cs1 ZINC000020600989 518274543 /nfs/dbraw/zinc/27/45/43/518274543.db2.gz NQBSVLAPRKAEAZ-FQEVSTJZSA-N 1 0 368.546 4.014 50 0 FIAARO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000020603331 524548026 /nfs/dbraw/zinc/54/80/26/524548026.db2.gz QQTREIORLHTDQZ-SFHVURJKSA-N 1 0 354.498 4.076 50 0 FIAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012585762 524986139 /nfs/dbraw/zinc/98/61/39/524986139.db2.gz CVUOUWHQQIUYEH-MRXNPFEDSA-N 1 0 364.530 4.460 50 0 FIAARO O=C(CCCc1cn(C[NH+]2CCCCCC2)c2ccccc12)N1CCCC1 ZINC000020646981 526463419 /nfs/dbraw/zinc/46/34/19/526463419.db2.gz DWQGZNVJGFEHDI-UHFFFAOYSA-N 1 0 367.537 4.420 50 0 FIAARO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc(F)cc1F ZINC000089769634 526597086 /nfs/dbraw/zinc/59/70/86/526597086.db2.gz MUSPANWCSLZFRZ-MRXNPFEDSA-N 1 0 351.441 4.131 50 0 FIAARO O=C(CCn1ccc2ccc(Cl)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079192477 526672379 /nfs/dbraw/zinc/67/23/79/526672379.db2.gz ZSHIVKAYJWYOFH-PKOBYXMFSA-N 1 0 373.928 4.066 50 0 biogenic FIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000004058258 536424611 /nfs/dbraw/zinc/42/46/11/536424611.db2.gz BYPSWJMJCJBEHG-UHFFFAOYSA-N 1 0 371.484 4.358 50 0 FIAARO CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3c(C)cc(C)nc3c2)C1 ZINC000215129891 568053306 /nfs/dbraw/zinc/05/33/06/568053306.db2.gz HUABPXHJLWTWLP-SFHVURJKSA-N 1 0 362.477 4.088 50 0 FIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1Cn1cccn1 ZINC000215528271 568075415 /nfs/dbraw/zinc/07/54/15/568075415.db2.gz ZFTGNKBDZBYUGJ-NRFANRHFSA-N 1 0 362.477 4.062 50 0 FIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1Cn1cccn1 ZINC000215528224 568075422 /nfs/dbraw/zinc/07/54/22/568075422.db2.gz ZFTGNKBDZBYUGJ-OAQYLSRUSA-N 1 0 362.477 4.062 50 0 FIAARO COc1ccc(-c2ccc(C[NH+]3CCC(c4nccn4C)CC3)o2)cc1 ZINC000215566717 568077196 /nfs/dbraw/zinc/07/71/96/568077196.db2.gz HZMCFMKJAPJICB-UHFFFAOYSA-N 1 0 351.450 4.068 50 0 FIAARO Cc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCC(C)CC2)c(C)s1 ZINC000215724926 568085630 /nfs/dbraw/zinc/08/56/30/568085630.db2.gz RTBMLBCARYOHCJ-IBGZPJMESA-N 1 0 371.550 4.271 50 0 FIAARO Cc1nc2ccccn2c1CN(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215893369 568094455 /nfs/dbraw/zinc/09/44/55/568094455.db2.gz WOSBARSIFCQHOJ-UHFFFAOYSA-N 1 0 368.550 4.322 50 0 FIAARO CCSc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 ZINC000216201363 568111990 /nfs/dbraw/zinc/11/19/90/568111990.db2.gz QLCGCKSAAYSRNQ-GOSISDBHSA-N 1 0 357.523 4.282 50 0 FIAARO O[C@H](c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000036383761 568205822 /nfs/dbraw/zinc/20/58/22/568205822.db2.gz IUOKAJBTLLBDLO-SDHSZQHLSA-N 1 0 373.496 4.130 50 0 FIAARO Cc1cccnc1C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000220731754 568359670 /nfs/dbraw/zinc/35/96/70/568359670.db2.gz XPYITIODIVUNAF-IBGZPJMESA-N 1 0 365.521 4.127 50 0 FIAARO Cc1c2cc(C)ccc2[nH]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091997903 570444287 /nfs/dbraw/zinc/44/42/87/570444287.db2.gz QWJLCVBATWBGPO-LEWJYISDSA-N 1 0 374.532 4.276 50 0 FIAARO COCCC[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000092028150 570444909 /nfs/dbraw/zinc/44/49/09/570444909.db2.gz JRHIQJULJKAVLO-FQEVSTJZSA-N 1 0 372.553 4.341 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)cc1F ZINC000095363864 570454566 /nfs/dbraw/zinc/45/45/66/570454566.db2.gz COKAMRRKPWZAHU-FQEVSTJZSA-N 1 0 366.480 4.115 50 0 FIAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000095378823 570458446 /nfs/dbraw/zinc/45/84/46/570458446.db2.gz NWRYEBQUXKDSSE-OAQYLSRUSA-N 1 0 371.912 4.063 50 0 FIAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cc1F ZINC000095385102 570460028 /nfs/dbraw/zinc/46/00/28/570460028.db2.gz CNKVVJVAPLCVNV-FXAWDEMLSA-N 1 0 370.443 4.010 50 0 FIAARO CSc1cccc(CN(C)C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000095392082 570461348 /nfs/dbraw/zinc/46/13/48/570461348.db2.gz GENRJPHWOHAIEE-IBGZPJMESA-N 1 0 354.519 4.148 50 0 FIAARO CC(C)n1cccc1C(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095498479 570462311 /nfs/dbraw/zinc/46/23/11/570462311.db2.gz OPUXRRPVVHNDLT-FQEVSTJZSA-N 1 0 365.521 4.163 50 0 FIAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3-n3cccn3)C[C@H]2N(C)C)cc1 ZINC000095516365 570466273 /nfs/dbraw/zinc/46/62/73/570466273.db2.gz RIZVGSSPKRJNJU-LADGPHEKSA-N 1 0 374.532 4.019 50 0 FIAARO Cc1ccsc1CN(C(=O)N[C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000584903018 570510088 /nfs/dbraw/zinc/51/00/88/570510088.db2.gz LHBJCLHJGCBBTN-MRXNPFEDSA-N 1 0 361.555 4.138 50 0 FIAARO Cc1noc(C)c1C[NH+]1CCC2(C[C@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889674 570510357 /nfs/dbraw/zinc/51/03/57/570510357.db2.gz VQQVUDUMMKVJLB-SFHVURJKSA-N 1 0 364.449 4.111 50 0 FIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)c(F)c1 ZINC000002515072 570523231 /nfs/dbraw/zinc/52/32/31/570523231.db2.gz SNFPWPNHSFZPIS-UHFFFAOYSA-N 1 0 362.242 4.415 50 0 FIAARO CCOC(=O)c1cccc(C(=O)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000002515498 570523818 /nfs/dbraw/zinc/52/38/18/570523818.db2.gz UCVRENWWRLDYJT-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO O=C(NC1CC1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669644 570526886 /nfs/dbraw/zinc/52/68/86/570526886.db2.gz BYGVPQASNMCXRJ-NQIIRXRSSA-N 1 0 352.453 4.058 50 0 FIAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(F)cc1 ZINC000004168195 570579892 /nfs/dbraw/zinc/57/98/92/570579892.db2.gz WGYFSTAWRLZCEZ-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000004504167 570593308 /nfs/dbraw/zinc/59/33/08/570593308.db2.gz OLTHKBQUYQYOHV-GOSISDBHSA-N 1 0 361.869 4.196 50 0 FIAARO CO[C@]12CC[N@H+](Cc3cccc(SC)c3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426487379 570608230 /nfs/dbraw/zinc/60/82/30/570608230.db2.gz MRXQOEGLGCNVQN-SESVDKBCSA-N 1 0 361.551 4.347 50 0 FIAARO CCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1 ZINC000004821143 570608922 /nfs/dbraw/zinc/60/89/22/570608922.db2.gz FGDNEUFVVNZRIP-UHFFFAOYSA-N 1 0 370.493 4.301 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 ZINC000003336516 570660648 /nfs/dbraw/zinc/66/06/48/570660648.db2.gz JBBXKSZCAHMTTA-SFHVURJKSA-N 1 0 367.518 4.038 50 0 FIAARO S=C(NCCc1ccccc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000002781502 570671351 /nfs/dbraw/zinc/67/13/51/570671351.db2.gz YXKNTCAIRBTUSI-UHFFFAOYSA-N 1 0 353.535 4.202 50 0 FIAARO CC(C)COc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010451080 570700933 /nfs/dbraw/zinc/70/09/33/570700933.db2.gz ZSMRECJRHHPNCQ-UHFFFAOYSA-N 1 0 366.505 4.116 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)ccc1F ZINC000011816889 570707514 /nfs/dbraw/zinc/70/75/14/570707514.db2.gz SSZUOWXASMPBMC-UHFFFAOYSA-N 1 0 357.473 4.288 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+](C)[C@H]3CCOC3)c(-c3cccc(C)c3)n2)cc1 ZINC000011817898 570707608 /nfs/dbraw/zinc/70/76/08/570707608.db2.gz UCDSLLFODSJINU-QFIPXVFZSA-N 1 0 361.489 4.377 50 0 FIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]Cc2cccnc2)o1 ZINC000011821196 570708907 /nfs/dbraw/zinc/70/89/07/570708907.db2.gz MWLWLAAVTIGHHA-UHFFFAOYSA-N 1 0 362.408 4.265 50 0 FIAARO COc1ccccc1C[NH2+][C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000011873076 570710382 /nfs/dbraw/zinc/71/03/82/570710382.db2.gz JQTJMAGLHXPEKM-KRWDZBQOSA-N 1 0 368.525 4.415 50 0 FIAARO O=C(c1cccs1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011874413 570710718 /nfs/dbraw/zinc/71/07/18/570710718.db2.gz YEQUEGIZKHVBFF-FQEVSTJZSA-N 1 0 358.482 4.016 50 0 FIAARO CC(C)CC[N@@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000011880496 570711494 /nfs/dbraw/zinc/71/14/94/570711494.db2.gz JSTCJTGXIXBIKP-QHCPKHFHSA-N 1 0 369.505 4.214 50 0 FIAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1ccccc1 ZINC000011957191 570713647 /nfs/dbraw/zinc/71/36/47/570713647.db2.gz MBROWSSPRFRUPA-IBGZPJMESA-N 1 0 370.924 4.367 50 0 FIAARO O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012028086 570714651 /nfs/dbraw/zinc/71/46/51/570714651.db2.gz QTMUHGPUKFYJLC-IBGZPJMESA-N 1 0 374.500 4.092 50 0 FIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000012054924 570715399 /nfs/dbraw/zinc/71/53/99/570715399.db2.gz KSZXLIDFLDMJQN-GOSISDBHSA-N 1 0 352.478 4.421 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012057052 570715652 /nfs/dbraw/zinc/71/56/52/570715652.db2.gz VKPQAOYTQUMRGM-JOCHJYFZSA-N 1 0 357.469 4.042 50 0 FIAARO COc1cccc(NC(=O)CCC2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000012072654 570715896 /nfs/dbraw/zinc/71/58/96/570715896.db2.gz FANADUFISBSCCT-IBGZPJMESA-N 1 0 356.510 4.482 50 0 FIAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012193296 570725718 /nfs/dbraw/zinc/72/57/18/570725718.db2.gz RZRWAZUCXFJEBE-HNNXBMFYSA-N 1 0 362.420 4.319 50 0 FIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012191963 570725818 /nfs/dbraw/zinc/72/58/18/570725818.db2.gz RCKMWAFUPTZJFC-GOSISDBHSA-N 1 0 354.469 4.085 50 0 FIAARO CSc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccs3)C2)c1 ZINC000012205064 570727722 /nfs/dbraw/zinc/72/77/22/570727722.db2.gz VVKAOEXNHXYOSY-MRXNPFEDSA-N 1 0 360.548 4.112 50 0 FIAARO Cc1cccc(-n2cc(C[N@@H+](C)[C@H]3CCOC3)c(-c3cccc(F)c3)n2)c1 ZINC000012297396 570732799 /nfs/dbraw/zinc/73/27/99/570732799.db2.gz KRKLJAYLCPTZKX-NRFANRHFSA-N 1 0 365.452 4.208 50 0 FIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)CC3CCOCC3)ccc2c1 ZINC000012306365 570734771 /nfs/dbraw/zinc/73/47/71/570734771.db2.gz JIHTWIHIIMUXQC-UHFFFAOYSA-N 1 0 365.477 4.097 50 0 FIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012430018 570744361 /nfs/dbraw/zinc/74/43/61/570744361.db2.gz JPIZYHJTARMDOG-SFHVURJKSA-N 1 0 353.462 4.107 50 0 FIAARO COCc1ccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)o1 ZINC000012438828 570745668 /nfs/dbraw/zinc/74/56/68/570745668.db2.gz PUJAWGQTRFHIAS-JOCHJYFZSA-N 1 0 357.494 4.023 50 0 FIAARO Cc1cc2cc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](CC3CC3)C4)ccc2o1 ZINC000012586368 570751932 /nfs/dbraw/zinc/75/19/32/570751932.db2.gz LBELEFGQOSFHAW-QFIPXVFZSA-N 1 0 352.478 4.079 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000012761671 570760523 /nfs/dbraw/zinc/76/05/23/570760523.db2.gz RZYVULQHTLCYQG-NRFANRHFSA-N 1 0 370.924 4.396 50 0 FIAARO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 ZINC000032664958 570767964 /nfs/dbraw/zinc/76/79/64/570767964.db2.gz AADKAFKIVUASIG-JKSUJKDBSA-N 1 0 359.514 4.008 50 0 FIAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000012983064 570770375 /nfs/dbraw/zinc/77/03/75/570770375.db2.gz AYHSKIRFXBQWKF-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032721268 570780495 /nfs/dbraw/zinc/78/04/95/570780495.db2.gz VSBPTBRFPGYMSA-QHCPKHFHSA-N 1 0 358.485 4.336 50 0 FIAARO O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032751126 570791571 /nfs/dbraw/zinc/79/15/71/570791571.db2.gz LJICEEKUANFLPZ-GGAORHGYSA-N 1 0 369.480 4.245 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2)cc1 ZINC000032862401 570823884 /nfs/dbraw/zinc/82/38/84/570823884.db2.gz AFACBHYCLYFZDD-UHFFFAOYSA-N 1 0 359.901 4.181 50 0 FIAARO Cc1ccc(-c2nnc(-c3cccnc3NCCC[NH+]3CCCC3)o2)cc1 ZINC000096339010 570857220 /nfs/dbraw/zinc/85/72/20/570857220.db2.gz DHBJEEBLSIAMKT-UHFFFAOYSA-N 1 0 363.465 4.005 50 0 FIAARO CSc1ccc(Cl)c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000046991131 570878231 /nfs/dbraw/zinc/87/82/31/570878231.db2.gz UCFYMDOEGRIWPB-CQSZACIVSA-N 1 0 354.947 4.304 50 0 FIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000044861923 570899993 /nfs/dbraw/zinc/89/99/93/570899993.db2.gz YQIDBHBEILZOOA-UHFFFAOYSA-N 1 0 367.445 4.164 50 0 FIAARO CN(C)C(=O)[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000048309615 570943328 /nfs/dbraw/zinc/94/33/28/570943328.db2.gz NUBLQVYZLHNSQV-XZOQPEGZSA-N 1 0 358.485 4.390 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccs3)cc2F)N1 ZINC000048367225 570952458 /nfs/dbraw/zinc/95/24/58/570952458.db2.gz HTDHVYVUBUJFKP-KRWDZBQOSA-N 1 0 363.421 4.401 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000024757778 570981328 /nfs/dbraw/zinc/98/13/28/570981328.db2.gz JZTHDLIFBQZNPF-SUMWQHHRSA-N 1 0 358.869 4.261 50 0 FIAARO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)sc2cccc(F)c12 ZINC000025330782 570994150 /nfs/dbraw/zinc/99/41/50/570994150.db2.gz BFXGMPBECVBQSS-AWEZNQCLSA-N 1 0 362.495 4.443 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 ZINC000025330519 570994169 /nfs/dbraw/zinc/99/41/69/570994169.db2.gz RWNKXFDRPZJZRP-INIZCTEOSA-N 1 0 358.438 4.180 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccsc1 ZINC000025331222 570994368 /nfs/dbraw/zinc/99/43/68/570994368.db2.gz YPELVQTXGAXXJD-CQSZACIVSA-N 1 0 374.453 4.393 50 0 FIAARO O=C(c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1)N1CCCC1 ZINC000025652697 570998528 /nfs/dbraw/zinc/99/85/28/570998528.db2.gz SUFLRIPHPCYZMR-NRFANRHFSA-N 1 0 352.453 4.399 50 0 FIAARO COc1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000027055171 571010309 /nfs/dbraw/zinc/01/03/09/571010309.db2.gz LWLWSAKDLSRXHY-HXUWFJFHSA-N 1 0 353.462 4.236 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662530 571017044 /nfs/dbraw/zinc/01/70/44/571017044.db2.gz WJRJPYDRCUSMLW-LJQANCHMSA-N 1 0 372.534 4.494 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027794336 571021648 /nfs/dbraw/zinc/02/16/48/571021648.db2.gz WEHIYXAAAYPKOH-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000040157192 571024746 /nfs/dbraw/zinc/02/47/46/571024746.db2.gz VCEYGQJBHBYKPN-NXEZZACHSA-N 1 0 356.289 4.039 50 0 FIAARO Cc1ccccc1C(OC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1C ZINC000028218116 571027945 /nfs/dbraw/zinc/02/79/45/571027945.db2.gz JEARJGSPZSIKAY-FQEVSTJZSA-N 1 0 353.506 4.256 50 0 FIAARO CCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000028291552 571030440 /nfs/dbraw/zinc/03/04/40/571030440.db2.gz FKIDMQCQPJDTNT-LJQANCHMSA-N 1 0 372.534 4.350 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+]1CCCC1 ZINC000028403352 571031630 /nfs/dbraw/zinc/03/16/30/571031630.db2.gz VOEARVVHDZFBKD-NRFANRHFSA-N 1 0 366.505 4.215 50 0 FIAARO c1csc([C@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000008342614 571041806 /nfs/dbraw/zinc/04/18/06/571041806.db2.gz COGQAKNGULDSEP-AWEZNQCLSA-N 1 0 370.547 4.491 50 0 FIAARO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCC(=O)N2CCc3ccccc32)C2CC2)o1 ZINC000030152795 571046028 /nfs/dbraw/zinc/04/60/28/571046028.db2.gz SNIDRVQYHGVCNS-OXJNMPFZSA-N 1 0 364.489 4.347 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000012697698 571050317 /nfs/dbraw/zinc/05/03/17/571050317.db2.gz BVQTVZVDOJTOHM-UHFFFAOYSA-N 1 0 350.462 4.118 50 0 FIAARO CSCc1cccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000083851183 571053344 /nfs/dbraw/zinc/05/33/44/571053344.db2.gz NDPMFVXVDXPXKJ-UHFFFAOYSA-N 1 0 361.486 4.072 50 0 FIAARO COCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018750 571061252 /nfs/dbraw/zinc/06/12/52/571061252.db2.gz GCAUALXCADGEHI-UHFFFAOYSA-N 1 0 369.436 4.198 50 0 FIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000011092436 571061581 /nfs/dbraw/zinc/06/15/81/571061581.db2.gz BUQJTXXUKSAPPF-IERDGZPVSA-N 1 0 368.477 4.080 50 0 FIAARO CC(C)(C)c1cn2nc(NC3CC[NH+](Cc4ccccc4)CC3)sc2n1 ZINC000040051234 571070079 /nfs/dbraw/zinc/07/00/79/571070079.db2.gz BEOJNBVSVFOLEI-UHFFFAOYSA-N 1 0 369.538 4.165 50 0 FIAARO CC[NH+](CC)CCCNc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000001776895 571070239 /nfs/dbraw/zinc/07/02/39/571070239.db2.gz NUTPMZCJMQXHDN-UHFFFAOYSA-N 1 0 364.493 4.449 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000034798120 571074596 /nfs/dbraw/zinc/07/45/96/571074596.db2.gz RSRKVJNOMGPRTD-FOIQADDNSA-N 1 0 356.441 4.307 50 0 FIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000040091415 571075089 /nfs/dbraw/zinc/07/50/89/571075089.db2.gz UGPRMLJMMBKEAF-UHFFFAOYSA-N 1 0 365.452 4.054 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 ZINC000040103885 571076619 /nfs/dbraw/zinc/07/66/19/571076619.db2.gz RJXKLLHTWUOLBU-HNNXBMFYSA-N 1 0 372.519 4.296 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000032970903 571077556 /nfs/dbraw/zinc/07/75/56/571077556.db2.gz JSBYCXWWGIDRGW-GOSISDBHSA-N 1 0 368.502 4.360 50 0 FIAARO COCc1cccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000040107909 571078104 /nfs/dbraw/zinc/07/81/04/571078104.db2.gz UTDLPQFLIHXDCZ-KRWDZBQOSA-N 1 0 352.478 4.317 50 0 FIAARO CCCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000040120104 571080586 /nfs/dbraw/zinc/08/05/86/571080586.db2.gz PVPUXCBKDWZMPW-UHFFFAOYSA-N 1 0 374.868 4.140 50 0 FIAARO Cc1onc(-c2ccccc2)c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040154759 571087294 /nfs/dbraw/zinc/08/72/94/571087294.db2.gz RVGDNIJHGKYOKT-CALCHBBNSA-N 1 0 369.509 4.138 50 0 FIAARO O=C(CCc1c[nH]c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000040160812 571089831 /nfs/dbraw/zinc/08/98/31/571089831.db2.gz GPAWKVXHDRFKME-HXUWFJFHSA-N 1 0 365.477 4.037 50 0 FIAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000229580191 571094500 /nfs/dbraw/zinc/09/45/00/571094500.db2.gz MAJFOSPBNFAXQM-QRVBRYPASA-N 1 0 350.506 4.259 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)c1 ZINC000044934132 571105241 /nfs/dbraw/zinc/10/52/41/571105241.db2.gz ZLBTVSOQRWEGLL-QGZVFWFLSA-N 1 0 354.469 4.224 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000033026538 571108682 /nfs/dbraw/zinc/10/86/82/571108682.db2.gz STWWCCUZLUPTTK-SWLSCSKDSA-N 1 0 368.955 4.301 50 0 FIAARO CC1CC[NH+]([C@H](CNC(=O)c2cccc(N(C)C)c2)c2cccs2)CC1 ZINC000033028227 571110016 /nfs/dbraw/zinc/11/00/16/571110016.db2.gz JCFFTYZRURASSE-LJQANCHMSA-N 1 0 371.550 4.017 50 0 FIAARO O=C(C[NH2+]Cc1cccc2ccccc21)Nc1ccc(Br)cc1 ZINC000052537512 571111470 /nfs/dbraw/zinc/11/14/70/571111470.db2.gz IQFXYSFBRCWRAI-UHFFFAOYSA-N 1 0 369.262 4.331 50 0 FIAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000012818336 571116143 /nfs/dbraw/zinc/11/61/43/571116143.db2.gz KCMFJUUPHOSKLO-UHFFFAOYSA-N 1 0 361.489 4.038 50 0 FIAARO CC[C@@H](C)[N@H+](Cc1cccc(OCC(N)=O)c1)Cc1ccccc1Cl ZINC000055168103 571117519 /nfs/dbraw/zinc/11/75/19/571117519.db2.gz DSCGVODGXJPNRS-OAHLLOKOSA-N 1 0 360.885 4.005 50 0 FIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)cc1 ZINC000055254117 571118711 /nfs/dbraw/zinc/11/87/11/571118711.db2.gz LNCUHASJIORRLX-INIZCTEOSA-N 1 0 367.474 4.040 50 0 FIAARO CCC[NH+]1CCN(c2nc(C)nc3scc(-c4ccccc4)c32)CC1 ZINC000006085970 571118988 /nfs/dbraw/zinc/11/89/88/571118988.db2.gz ZMASGETZGHRCLS-UHFFFAOYSA-N 1 0 352.507 4.199 50 0 FIAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@H](C)c2cn3ccsc3n2)c1C ZINC000055283258 571119115 /nfs/dbraw/zinc/11/91/15/571119115.db2.gz REQLCCKCVNKYRD-OAHLLOKOSA-N 1 0 371.506 4.235 50 0 FIAARO Cc1ccccc1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000009867351 571120071 /nfs/dbraw/zinc/12/00/71/571120071.db2.gz YDJSLMQEWQHJAG-UHFFFAOYSA-N 1 0 365.521 4.023 50 0 FIAARO C[N@H+](CCCSc1ccccc1)Cc1cnc(-c2ccccn2)nc1 ZINC000055393517 571120275 /nfs/dbraw/zinc/12/02/75/571120275.db2.gz JYIXJBBPAYSHAM-UHFFFAOYSA-N 1 0 350.491 4.153 50 0 FIAARO CCOc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281656 571125018 /nfs/dbraw/zinc/12/50/18/571125018.db2.gz SVPCVACBADFRAT-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000026121486 571140391 /nfs/dbraw/zinc/14/03/91/571140391.db2.gz BWGOTHMHRUUOAV-UHFFFAOYSA-N 1 0 356.514 4.273 50 0 FIAARO COc1ccc(Nc2nnc(SCC[C@H]3CCCC[N@@H+]3C)s2)cc1 ZINC000012527673 571174579 /nfs/dbraw/zinc/17/45/79/571174579.db2.gz UEBPCMUWLCMQHV-CQSZACIVSA-N 1 0 364.540 4.257 50 0 FIAARO COc1ccc(Nc2nnc(SCC[C@@H]3CCCC[N@@H+]3C)s2)cc1 ZINC000012527672 571174593 /nfs/dbraw/zinc/17/45/93/571174593.db2.gz UEBPCMUWLCMQHV-AWEZNQCLSA-N 1 0 364.540 4.257 50 0 FIAARO CCOc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043972211 571178222 /nfs/dbraw/zinc/17/82/22/571178222.db2.gz RHUSGRBUWSRHIM-UHFFFAOYSA-N 1 0 373.522 4.181 50 0 FIAARO CN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 ZINC000534636220 571207007 /nfs/dbraw/zinc/20/70/07/571207007.db2.gz OWJDCMBIEMXLHW-IBGZPJMESA-N 1 0 360.546 4.076 50 0 FIAARO C[C@H](NC(=O)N(C)Cc1ccccc1C[NH+]1CCCC1)c1ccsc1 ZINC000534646050 571207025 /nfs/dbraw/zinc/20/70/25/571207025.db2.gz KRVCRKBTERPXPO-INIZCTEOSA-N 1 0 357.523 4.247 50 0 FIAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000077337235 571207935 /nfs/dbraw/zinc/20/79/35/571207935.db2.gz QJEQUIXBQYFIDQ-MRXNPFEDSA-N 1 0 357.461 4.194 50 0 FIAARO CCc1nc(C)c(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000077388450 571209858 /nfs/dbraw/zinc/20/98/58/571209858.db2.gz YPHJEGWIJPTTQE-SFHVURJKSA-N 1 0 371.550 4.443 50 0 FIAARO Cc1nc(C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccn12 ZINC000077437196 571211538 /nfs/dbraw/zinc/21/15/38/571211538.db2.gz QKJYTRYPAZFOBI-UHFFFAOYSA-N 1 0 363.440 4.038 50 0 FIAARO Cc1ccsc1-c1nccn1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000077459079 571212318 /nfs/dbraw/zinc/21/23/18/571212318.db2.gz OMYARGFXBAQKOR-UHFFFAOYSA-N 1 0 353.491 4.463 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)cc1Cl ZINC000077525382 571214798 /nfs/dbraw/zinc/21/47/98/571214798.db2.gz YDYATHAKCOMAFV-QGZVFWFLSA-N 1 0 364.917 4.106 50 0 FIAARO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]3CC[NH2+]C3)c2[nH]c1-c1ccccc1 ZINC000077523726 571214822 /nfs/dbraw/zinc/21/48/22/571214822.db2.gz WULDPTJJNHHDPD-OAHLLOKOSA-N 1 0 367.880 4.022 50 0 FIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000077537001 571214828 /nfs/dbraw/zinc/21/48/28/571214828.db2.gz BNOZNTMADBHCDD-FQEVSTJZSA-N 1 0 358.432 4.394 50 0 FIAARO CC(C)C(=O)c1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)s1 ZINC000426360137 571215350 /nfs/dbraw/zinc/21/53/50/571215350.db2.gz KOYAFVAWSHXEBD-KRWDZBQOSA-N 1 0 370.518 4.030 50 0 FIAARO CC[N@H+](C)C(C)(C)CNC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1 ZINC000426386388 571217795 /nfs/dbraw/zinc/21/77/95/571217795.db2.gz RNKMFCRRVDQVLG-UHFFFAOYSA-N 1 0 360.885 4.173 50 0 FIAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1cccc(-c2ccc(F)cn2)c1 ZINC000426428071 571224135 /nfs/dbraw/zinc/22/41/35/571224135.db2.gz OOQAYFCCFICWDO-UHFFFAOYSA-N 1 0 367.468 4.026 50 0 FIAARO C[NH+](C)C1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000426478778 571227383 /nfs/dbraw/zinc/22/73/83/571227383.db2.gz MMQSBROEPFADOW-HXUWFJFHSA-N 1 0 371.912 4.165 50 0 FIAARO CCn1ccc2ccc(C[NH+]3CCC4(CC3)Nc3ccccc3NC4=O)cc21 ZINC000082109031 571228574 /nfs/dbraw/zinc/22/85/74/571228574.db2.gz DIHGYISQWAKLAH-UHFFFAOYSA-N 1 0 374.488 4.060 50 0 FIAARO C[C@H](c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1)[NH+]1CCCC1 ZINC000426517521 571229727 /nfs/dbraw/zinc/22/97/27/571229727.db2.gz AURJTBOKHNRCFZ-QGZVFWFLSA-N 1 0 351.494 4.465 50 0 FIAARO CC[N@H+](C)C1(CNC(=O)c2ccc(-c3cc(F)ccc3O)cc2)CCCC1 ZINC000426523235 571229903 /nfs/dbraw/zinc/22/99/03/571229903.db2.gz SZLMWJSKDZQXKP-UHFFFAOYSA-N 1 0 370.468 4.193 50 0 FIAARO O=C(c1cccc(-c2ccccc2O)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426534455 571230754 /nfs/dbraw/zinc/23/07/54/571230754.db2.gz MVMIZURZKXIWPI-UHFFFAOYSA-N 1 0 364.489 4.150 50 0 FIAARO COc1ccc(Cl)cc1-c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000426649589 571234190 /nfs/dbraw/zinc/23/41/90/571234190.db2.gz JBHVBZBINVLWEL-SFHVURJKSA-N 1 0 372.896 4.230 50 0 FIAARO O=C(NCCCC[C@H]1CCCO1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426677937 571234854 /nfs/dbraw/zinc/23/48/54/571234854.db2.gz GYWPDMOFWWTQQA-NRFANRHFSA-N 1 0 358.526 4.142 50 0 FIAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cccc(-c2ccccc2O)c1 ZINC000426698467 571235567 /nfs/dbraw/zinc/23/55/67/571235567.db2.gz RLCQNWDTPIEFFO-UHFFFAOYSA-N 1 0 366.505 4.444 50 0 FIAARO COc1cc(C(C)=O)ccc1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624280 571237465 /nfs/dbraw/zinc/23/74/65/571237465.db2.gz GBKABQYFPHCHBR-HXUWFJFHSA-N 1 0 368.477 4.289 50 0 biogenic FIAARO COc1ccc([C@H](CNc2ncnc3sc(C)c(C)c32)[NH+](C)C)cc1 ZINC000006628141 571237843 /nfs/dbraw/zinc/23/78/43/571237843.db2.gz HGLOPJZRUUMYDY-INIZCTEOSA-N 1 0 356.495 4.032 50 0 FIAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C(F)(F)F)c(F)c1)CC2 ZINC000091416813 571239476 /nfs/dbraw/zinc/23/94/76/571239476.db2.gz NTWXZLDTLZOYRJ-UHFFFAOYSA-N 1 0 372.406 4.069 50 0 FIAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2cccc(C)c2)cc1 ZINC000036100740 571241671 /nfs/dbraw/zinc/24/16/71/571241671.db2.gz BVSDMZCIMSDTSB-OAQYLSRUSA-N 1 0 371.521 4.292 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)s1 ZINC000036101143 571241691 /nfs/dbraw/zinc/24/16/91/571241691.db2.gz LMMPQVBJYYPHQH-LJQANCHMSA-N 1 0 371.502 4.229 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)cc1 ZINC000036101743 571241923 /nfs/dbraw/zinc/24/19/23/571241923.db2.gz TVHMNNNXRHRRKD-JOCHJYFZSA-N 1 0 365.473 4.168 50 0 FIAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103519 571242231 /nfs/dbraw/zinc/24/22/31/571242231.db2.gz LJEGPUZDNPDPNR-FQEVSTJZSA-N 1 0 355.478 4.493 50 0 FIAARO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145970 571243380 /nfs/dbraw/zinc/24/33/80/571243380.db2.gz OIQOQOYLAIGATN-UXHICEINSA-N 1 0 372.896 4.106 50 0 FIAARO Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877392 571252170 /nfs/dbraw/zinc/25/21/70/571252170.db2.gz DFLYCCAEAFTREA-IBGZPJMESA-N 1 0 363.505 4.297 50 0 FIAARO Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000007437569 571265512 /nfs/dbraw/zinc/26/55/12/571265512.db2.gz PNDLPKFVTNDXRH-UHFFFAOYSA-N 1 0 371.531 4.172 50 0 FIAARO Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCC[C@H](C(F)(F)F)C2)o1 ZINC000170634561 571275229 /nfs/dbraw/zinc/27/52/29/571275229.db2.gz IJHVLCIAAVQMDJ-JKSUJKDBSA-N 1 0 372.431 4.306 50 0 FIAARO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(COC)c1 ZINC000170642680 571279624 /nfs/dbraw/zinc/27/96/24/571279624.db2.gz SLRTZAJXROVITQ-UHFFFAOYSA-N 1 0 350.503 4.006 50 0 FIAARO COCc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000252488877 571280512 /nfs/dbraw/zinc/28/05/12/571280512.db2.gz JBBYOOYYOLPHNC-UHFFFAOYSA-N 1 0 367.493 4.141 50 0 FIAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000252512964 571281947 /nfs/dbraw/zinc/28/19/47/571281947.db2.gz WXNKBJPVPSVNKL-VQTJNVASSA-N 1 0 372.459 4.225 50 0 FIAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3cc(C)ccc3C)c2)CC1 ZINC000037553836 571287907 /nfs/dbraw/zinc/28/79/07/571287907.db2.gz JKOXTUPXCLQBJN-UHFFFAOYSA-N 1 0 352.478 4.141 50 0 FIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037559972 571287980 /nfs/dbraw/zinc/28/79/80/571287980.db2.gz PVEIHBFEQBJDDE-UHFFFAOYSA-N 1 0 370.468 4.242 50 0 FIAARO Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1F ZINC000007922492 571294283 /nfs/dbraw/zinc/29/42/83/571294283.db2.gz DLMOOMPKGSSFIW-CYBMUJFWSA-N 1 0 357.454 4.375 50 0 FIAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1 ZINC000253388914 571311755 /nfs/dbraw/zinc/31/17/55/571311755.db2.gz AHLMDPORSPYOKC-UGKGYDQZSA-N 1 0 372.484 4.139 50 0 FIAARO Brc1ncc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)s1 ZINC000253431729 571316451 /nfs/dbraw/zinc/31/64/51/571316451.db2.gz XICXNWZVTHQQCC-IUODEOHRSA-N 1 0 367.312 4.163 50 0 FIAARO CCOC(=O)[C@@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000012373731 571318696 /nfs/dbraw/zinc/31/86/96/571318696.db2.gz SDAFDLHVLJZYSF-QHCPKHFHSA-N 1 0 366.505 4.250 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccc1F ZINC000007941460 571322476 /nfs/dbraw/zinc/32/24/76/571322476.db2.gz DSXKBFDBTMMHBP-UHFFFAOYSA-N 1 0 360.860 4.395 50 0 FIAARO CCCC1(CCC)COC2(CCN(CCC[NH+](CC)CC)CC2)OC1 ZINC000095947275 571332544 /nfs/dbraw/zinc/33/25/44/571332544.db2.gz RGSHVBUWGLZOIK-UHFFFAOYSA-N 1 0 354.579 4.144 50 0 FIAARO COc1cccc2cc(C[NH2+]C[C@@H](O)c3cc4ccccc4s3)oc21 ZINC000095965138 571333099 /nfs/dbraw/zinc/33/30/99/571333099.db2.gz LZQSOVTWTQQEFQ-MRXNPFEDSA-N 1 0 353.443 4.479 50 0 FIAARO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000095988232 571333483 /nfs/dbraw/zinc/33/34/83/571333483.db2.gz BVEYUJHFXOYVMI-RDJZCZTQSA-N 1 0 368.315 4.050 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000096006570 571333826 /nfs/dbraw/zinc/33/38/26/571333826.db2.gz QGIYLVMWGWLFAE-KUHUBIRLSA-N 1 0 350.890 4.189 50 0 FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccccn1 ZINC000003025912 571343651 /nfs/dbraw/zinc/34/36/51/571343651.db2.gz HGXPYQCYZHTZBV-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000057483952 571343678 /nfs/dbraw/zinc/34/36/78/571343678.db2.gz CCBYEICBVGUXHQ-LJQANCHMSA-N 1 0 365.429 4.153 50 0 FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003049896 571344141 /nfs/dbraw/zinc/34/41/41/571344141.db2.gz UNNNLHWTRKJFFP-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000003050168 571344146 /nfs/dbraw/zinc/34/41/46/571344146.db2.gz ZWZHIEGNGOBERW-KRWDZBQOSA-N 1 0 370.566 4.274 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000003281922 571346618 /nfs/dbraw/zinc/34/66/18/571346618.db2.gz TYFMPWIEGJUEOO-GFCCVEGCSA-N 1 0 367.276 4.161 50 0 FIAARO c1coc([C@@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCC2)c1 ZINC000003349311 571347968 /nfs/dbraw/zinc/34/79/68/571347968.db2.gz MXYGIZIIOCUYNR-CQSZACIVSA-N 1 0 354.479 4.022 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1Cl ZINC000003662341 571352088 /nfs/dbraw/zinc/35/20/88/571352088.db2.gz BDYHNVGQFBJNIV-UHFFFAOYSA-N 1 0 367.971 4.471 50 0 FIAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2ccc(Cl)cc2Cl)N1O ZINC000004189831 571356648 /nfs/dbraw/zinc/35/66/48/571356648.db2.gz YFVQLCXGWYKOQL-MRXNPFEDSA-N 1 0 351.233 4.475 50 0 FIAARO O=C(CC[NH+]1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000004278775 571357598 /nfs/dbraw/zinc/35/75/98/571357598.db2.gz SXFUOLBXSOHECL-GOSISDBHSA-N 1 0 371.868 4.097 50 0 FIAARO O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1C[NH+]1CCCC1 ZINC000008076469 571358827 /nfs/dbraw/zinc/35/88/27/571358827.db2.gz HFKRGMWPNFLAHR-UHFFFAOYSA-N 1 0 361.489 4.013 50 0 FIAARO CSc1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008188194 571359706 /nfs/dbraw/zinc/35/97/06/571359706.db2.gz VEAFCFXDONUIOT-DENIHFKCSA-N 1 0 371.546 4.295 50 0 FIAARO Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008232068 571360062 /nfs/dbraw/zinc/36/00/62/571360062.db2.gz VHPBVWQHKJKNCD-MRXNPFEDSA-N 1 0 368.864 4.399 50 0 FIAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193994922 1082936531 /nfs/dbraw/zinc/93/65/31/1082936531.db2.gz XXVYSILQJRHPLZ-LJQANCHMSA-N 1 0 360.461 4.042 50 0 FIAARO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000194230293 1083906828 /nfs/dbraw/zinc/90/68/28/1083906828.db2.gz RBJDZTJOAKHBAO-UHFFFAOYSA-N 1 0 358.482 4.158 50 0 FIAARO O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177705166 1084240854 /nfs/dbraw/zinc/24/08/54/1084240854.db2.gz CZLZZMCJTAABHT-INIZCTEOSA-N 1 0 373.403 4.069 50 0 FIAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000581806940 1084619276 /nfs/dbraw/zinc/61/92/76/1084619276.db2.gz DXYYYQNFMQZUBG-HNNXBMFYSA-N 1 0 356.445 4.152 50 0 FIAARO Fc1cccc(C[C@H]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000581818049 1084630325 /nfs/dbraw/zinc/63/03/25/1084630325.db2.gz CSNJGAKNTFEHCR-HXUWFJFHSA-N 1 0 354.469 4.225 50 0 FIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000004725566 1085830169 /nfs/dbraw/zinc/83/01/69/1085830169.db2.gz BEHCOQOPIAOXNO-LVZFUZTISA-N 1 0 374.528 4.387 50 0 FIAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)CC1 ZINC000257178416 1090271845 /nfs/dbraw/zinc/27/18/45/1090271845.db2.gz BTWHOSQHTQROIX-HXUWFJFHSA-N 1 0 361.505 4.012 50 0 FIAARO O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CC[NH+](C2CC2)CC1 ZINC000195266833 1090834676 /nfs/dbraw/zinc/83/46/76/1090834676.db2.gz ICBXXKNAJGMXQJ-UHFFFAOYSA-N 1 0 361.898 4.276 50 0 FIAARO O=C1CC[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)CCN1Cc1ccccc1 ZINC000015068753 1091262157 /nfs/dbraw/zinc/26/21/57/1091262157.db2.gz MFWRZEIPZGKPDV-PKTZIBPZSA-N 1 0 362.517 4.447 50 0 FIAARO CC(C)[NH2+]C[C@@]1(O)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1 ZINC000299872771 1091719722 /nfs/dbraw/zinc/71/97/22/1091719722.db2.gz HMILSMGINCXLBS-AAZVSSJSSA-N 1 0 363.586 4.119 50 0 FIAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000129747989 1115209626 /nfs/dbraw/zinc/20/96/26/1115209626.db2.gz LQQINXVFCDHIPP-UHFFFAOYSA-N 1 0 365.477 4.114 50 0 FIAARO O=C(NC1CC1)c1ccccc1OC[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000169765095 1115681558 /nfs/dbraw/zinc/68/15/58/1115681558.db2.gz NYZAUEARMJSKLE-KRWDZBQOSA-N 1 0 356.510 4.002 50 0 FIAARO CCc1nc(-c2ccc(O[C@H]3CC[N@H+](Cc4cccc(F)c4)C3)cc2)no1 ZINC000169784228 1115682976 /nfs/dbraw/zinc/68/29/76/1115682976.db2.gz GTVVPOZRUKQAKU-IBGZPJMESA-N 1 0 367.424 4.091 50 0 FIAARO O=C(c1ccc(-c2ccccc2)s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174556546 1116140126 /nfs/dbraw/zinc/14/01/26/1116140126.db2.gz OMDSGUZLVSAFAF-KRWDZBQOSA-N 1 0 354.519 4.363 50 0 FIAARO CC(C)(C)Oc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175379164 1123848857 /nfs/dbraw/zinc/84/88/57/1123848857.db2.gz IFXXHCBCLYTGFM-UHFFFAOYSA-N 1 0 359.514 4.392 50 0 FIAARO Cc1c2ccccc2[nH]c1[C@@H]1C[C@H]2CN(C3CCCC3)C(=O)[C@]23CCC[N@H+]13 ZINC000011713318 1124968228 /nfs/dbraw/zinc/96/82/28/1124968228.db2.gz SYASQGPEPVYKPY-GRWTVWFQSA-N 1 0 363.505 4.157 50 0 FIAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1 ZINC000000641652 210256203 /nfs/dbraw/zinc/25/62/03/210256203.db2.gz QZHRCDTUIZFOPW-AWEZNQCLSA-N 1 0 362.267 4.126 50 0 FIAARO COc1cc(CC[NH3+])cc(OCc2ccccc2)c1OCc1ccccc1 ZINC000004558291 210228720 /nfs/dbraw/zinc/22/87/20/210228720.db2.gz GNYWPTWRGOOUOH-UHFFFAOYSA-N 1 0 363.457 4.354 50 0 FIAARO O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl ZINC000003401896 210226699 /nfs/dbraw/zinc/22/66/99/210226699.db2.gz GQJNFXXFTZTBLZ-KBXCAEBGSA-N 1 0 366.288 4.400 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000229793882 210179599 /nfs/dbraw/zinc/17/95/99/210179599.db2.gz UQRSQANWYFCMSK-OKZBNKHCSA-N 1 0 374.491 4.326 50 0 FIAARO Cc1ccc(F)c(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)c1Cl ZINC000299795174 210035926 /nfs/dbraw/zinc/03/59/26/210035926.db2.gz LNWKNAWJYMFWRM-INIZCTEOSA-N 1 0 374.887 4.315 50 0 FIAARO O=C(NCc1cccc(Cl)c1F)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299793940 210035558 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CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccccc1 ZINC000012715218 220021601 /nfs/dbraw/zinc/02/16/01/220021601.db2.gz MPNIJWTUFIEKDN-FQEVSTJZSA-N 1 0 368.496 4.243 50 0 FIAARO CCCn1ncc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1C ZINC000012710374 220020064 /nfs/dbraw/zinc/02/00/64/220020064.db2.gz XOJVPERMIPEYBS-CYBMUJFWSA-N 1 0 373.451 4.225 50 0 FIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 ZINC000058423963 212011014 /nfs/dbraw/zinc/01/10/14/212011014.db2.gz SMIKOISPGCBGMT-CYBMUJFWSA-N 1 0 365.930 4.248 50 0 FIAARO O=C(CCSc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058393531 212007786 /nfs/dbraw/zinc/00/77/86/212007786.db2.gz GXNLQDSVCYNGCB-UHFFFAOYSA-N 1 0 372.509 4.089 50 0 FIAARO C[C@@H]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2)c2ccccc2S1 ZINC000058311065 212004757 /nfs/dbraw/zinc/00/47/57/212004757.db2.gz LLRMOHZTSHWILG-MRXNPFEDSA-N 1 0 354.519 4.429 50 0 FIAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044932074 211807847 /nfs/dbraw/zinc/80/78/47/211807847.db2.gz NJYRQKASPUCFPT-UHFFFAOYSA-N 1 0 360.860 4.008 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000015105586 220148519 /nfs/dbraw/zinc/14/85/19/220148519.db2.gz DMJFEPKFVJZFKH-OAQYLSRUSA-N 1 0 370.468 4.068 50 0 FIAARO C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000017362879 220214864 /nfs/dbraw/zinc/21/48/64/220214864.db2.gz SOBCWJYTJRLCNZ-MRXNPFEDSA-N 1 0 368.546 4.267 50 0 FIAARO CC[C@H]([NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccc(C)cc1 ZINC000023763211 211397523 /nfs/dbraw/zinc/39/75/23/211397523.db2.gz STCGGHNTPYZZOW-INIZCTEOSA-N 1 0 367.518 4.413 50 0 FIAARO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccn3)s2)s1 ZINC000023544072 211391578 /nfs/dbraw/zinc/39/15/78/211391578.db2.gz XVJYIXNHGCECEK-HNNXBMFYSA-N 1 0 369.515 4.308 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000023359706 211385105 /nfs/dbraw/zinc/38/51/05/211385105.db2.gz KZTNTTWYLMZECY-HSZRJFAPSA-N 1 0 359.517 4.374 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935985 211371983 /nfs/dbraw/zinc/37/19/83/211371983.db2.gz YYFWEWXUWSEXBN-LJQANCHMSA-N 1 0 358.913 4.493 50 0 FIAARO Cc1[nH]c2ccccc2c1C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000022930552 211370559 /nfs/dbraw/zinc/37/05/59/211370559.db2.gz KBROWTGGPFVGNY-WZONZLPQSA-N 1 0 363.505 4.028 50 0 FIAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000022793090 211363862 /nfs/dbraw/zinc/36/38/62/211363862.db2.gz FVLBSWXVXXXHOX-UHFFFAOYSA-N 1 0 356.249 4.309 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000021869872 211327943 /nfs/dbraw/zinc/32/79/43/211327943.db2.gz QVJFYTNJYMDNMN-MRXNPFEDSA-N 1 0 367.276 4.035 50 0 FIAARO CCc1cc2c(ncnc2NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000021716290 211322601 /nfs/dbraw/zinc/32/26/01/211322601.db2.gz SYDLODZYNCJFKZ-UHFFFAOYSA-N 1 0 352.507 4.330 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc(F)c(F)cc1Cl ZINC000021639704 211319555 /nfs/dbraw/zinc/31/95/55/211319555.db2.gz JMKDOFFWJWTTBZ-UHFFFAOYSA-N 1 0 364.823 4.144 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020889919 211299670 /nfs/dbraw/zinc/29/96/70/211299670.db2.gz MVORSGQENSTSAW-UHFFFAOYSA-N 1 0 357.885 4.218 50 0 FIAARO Fc1cccc(-c2n[nH]c3c2C[N@H+](Cc2cccc4cccnc42)CC3)c1 ZINC000020535493 211286252 /nfs/dbraw/zinc/28/62/52/211286252.db2.gz LOFYQBYJUXPPIV-UHFFFAOYSA-N 1 0 358.420 4.322 50 0 FIAARO OC(c1ccccc1)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440682 211278277 /nfs/dbraw/zinc/27/82/77/211278277.db2.gz VTIINQMCOQHJGM-XMMPIXPASA-N 1 0 373.496 4.039 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020330055 211275312 /nfs/dbraw/zinc/27/53/12/211275312.db2.gz XPHUTLAHEBJQFO-ZDUSSCGKSA-N 1 0 371.872 4.225 50 0 FIAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019370428 211218227 /nfs/dbraw/zinc/21/82/27/211218227.db2.gz BMOAYKAROHLNIS-MAUKXSAKSA-N 1 0 351.332 4.145 50 0 FIAARO Cc1ncc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 ZINC000019145457 211203139 /nfs/dbraw/zinc/20/31/39/211203139.db2.gz OJYCLYVHDRUELJ-IBGZPJMESA-N 1 0 352.507 4.421 50 0 FIAARO c1csc(CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000017314760 211184441 /nfs/dbraw/zinc/18/44/41/211184441.db2.gz HZAHNOFMXMEVCE-UHFFFAOYSA-N 1 0 374.513 4.387 50 0 FIAARO Cc1ccc2nc3sc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3cc2c1 ZINC000015784567 211143645 /nfs/dbraw/zinc/14/36/45/211143645.db2.gz XWUYDSKGLHYRRX-OAHLLOKOSA-N 1 0 367.518 4.362 50 0 FIAARO CCC[N@@H+](Cc1nc(-c2cccc(OC)c2OC)oc1C)C[C@@H]1CCCO1 ZINC000014955651 211107155 /nfs/dbraw/zinc/10/71/55/211107155.db2.gz OYBCYLIPERNSBJ-INIZCTEOSA-N 1 0 374.481 4.058 50 0 FIAARO C[C@H]([NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc21 ZINC000014157448 211078467 /nfs/dbraw/zinc/07/84/67/211078467.db2.gz CZDZLNZAPGIGON-MBSDFSHPSA-N 1 0 374.484 4.091 50 0 FIAARO COC(=O)c1cc(C)sc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013328355 211030983 /nfs/dbraw/zinc/03/09/83/211030983.db2.gz WCPMXUSMWXSYHV-UHFFFAOYSA-N 1 0 373.478 4.083 50 0 FIAARO COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCC3)cc1 ZINC000013154532 211026222 /nfs/dbraw/zinc/02/62/22/211026222.db2.gz NIBYEUDXSSPXDT-UHFFFAOYSA-N 1 0 370.270 4.149 50 0 FIAARO CC(C)[NH+](CCNC(=O)Cc1coc2ccc3ccccc3c12)C(C)C ZINC000012983323 211015287 /nfs/dbraw/zinc/01/52/87/211015287.db2.gz MDTCBEQKEYXTNX-UHFFFAOYSA-N 1 0 352.478 4.364 50 0 FIAARO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000012903820 211004880 /nfs/dbraw/zinc/00/48/80/211004880.db2.gz WNXVGVVUWMBZBJ-UHFFFAOYSA-N 1 0 354.347 4.305 50 0 FIAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 ZINC000012887062 211004140 /nfs/dbraw/zinc/00/41/40/211004140.db2.gz ABECIHDVNQXGCT-OAHLLOKOSA-N 1 0 366.436 4.447 50 0 FIAARO CCc1[nH]c2c(cc(F)cc2C[NH2+]Cc2ccc(NC(C)=O)cc2)c1C ZINC000012761422 210986756 /nfs/dbraw/zinc/98/67/56/210986756.db2.gz SIXXCCQCENMQFJ-UHFFFAOYSA-N 1 0 353.441 4.426 50 0 FIAARO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000008726422 210800141 /nfs/dbraw/zinc/80/01/41/210800141.db2.gz CFWXDBJCHDYMMO-OAHLLOKOSA-N 1 0 374.410 4.233 50 0 FIAARO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(Br)cc1 ZINC000008750054 210802885 /nfs/dbraw/zinc/80/28/85/210802885.db2.gz XEDDWPZLPDHQDO-CYBMUJFWSA-N 1 0 361.283 4.002 50 0 FIAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003336531 210467049 /nfs/dbraw/zinc/46/70/49/210467049.db2.gz YICJJMZZYOOKCQ-UHFFFAOYSA-N 1 0 370.337 4.042 50 0 FIAARO O[C@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000002333332 210392051 /nfs/dbraw/zinc/39/20/51/210392051.db2.gz PKEBDCQVVWGBKG-RTBURBONSA-N 1 0 360.295 4.362 50 0 FIAARO CC[NH+](CC)CCN1Cc2c(C)c(C)sc2N(C(=O)c2ccccc2)C1 ZINC000019880175 220303301 /nfs/dbraw/zinc/30/33/01/220303301.db2.gz WCAPQILGKMKGRU-UHFFFAOYSA-N 1 0 371.550 4.127 50 0 FIAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)o1 ZINC000000934774 210291899 /nfs/dbraw/zinc/29/18/99/210291899.db2.gz PVQUUIHYNIBRRC-QGZVFWFLSA-N 1 0 371.868 4.207 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 ZINC000048341580 221008993 /nfs/dbraw/zinc/00/89/93/221008993.db2.gz JMXFLRGCLQSYLY-HDICACEKSA-N 1 0 354.494 4.007 50 0 FIAARO CC[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000057435037 221088655 /nfs/dbraw/zinc/08/86/55/221088655.db2.gz KMQYZFNZEAHMNK-KRWDZBQOSA-N 1 0 373.294 4.079 50 0 FIAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(C)cc1)N2 ZINC000065298474 221197052 /nfs/dbraw/zinc/19/70/52/221197052.db2.gz DQJZECBKDVGELC-HXUWFJFHSA-N 1 0 363.505 4.036 50 0 biogenic FIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000065370541 221204163 /nfs/dbraw/zinc/20/41/63/221204163.db2.gz YMWBILZVFJVBTD-OAQYLSRUSA-N 1 0 353.510 4.135 50 0 FIAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1O ZINC000065374183 221205243 /nfs/dbraw/zinc/20/52/43/221205243.db2.gz MGWOZYQMSNXGMX-IEBWSBKVSA-N 1 0 354.475 4.062 50 0 FIAARO Cc1ccc(-c2nc(NCC[C@@H]3CCC[N@H+]3C)ncc2-c2ccncc2)cc1 ZINC000065462673 221223434 /nfs/dbraw/zinc/22/34/34/221223434.db2.gz REVAYSKEOUYNDJ-FQEVSTJZSA-N 1 0 373.504 4.410 50 0 FIAARO C[NH+]1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccco2)CC1 ZINC000065488299 221224117 /nfs/dbraw/zinc/22/41/17/221224117.db2.gz ZZGGYCJXFPGZOI-UHFFFAOYSA-N 1 0 365.477 4.311 50 0 FIAARO C/C=C/C(=O)Nc1ccccc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000065504909 221228547 /nfs/dbraw/zinc/22/85/47/221228547.db2.gz MWPCBCWTQAKSDY-ZNNBYXKUSA-N 1 0 350.462 4.261 50 0 FIAARO C[N@@H+]1CCC[C@H]1CCN1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067643375 221265599 /nfs/dbraw/zinc/26/55/99/221265599.db2.gz IGUVZIWATROVGZ-SFHVURJKSA-N 1 0 361.489 4.337 50 0 FIAARO C(=C/c1ccco1)\CN1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000067588699 221261237 /nfs/dbraw/zinc/26/12/37/221261237.db2.gz XNQWMFCESZJKLD-UZHKBWCJSA-N 1 0 350.506 4.323 50 0 FIAARO CC(C)Oc1ccccc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000067612411 221262215 /nfs/dbraw/zinc/26/22/15/221262215.db2.gz XLHLFLXSKNGBGX-UHFFFAOYSA-N 1 0 368.477 4.199 50 0 FIAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@H](C[NH3+])C1 ZINC000067894770 221302623 /nfs/dbraw/zinc/30/26/23/221302623.db2.gz UEJOGNZOVFTFHS-QGZVFWFLSA-N 1 0 363.461 4.223 50 0 FIAARO c1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)n1CC[NH+]1CCCC1 ZINC000067948053 221307745 /nfs/dbraw/zinc/30/77/45/221307745.db2.gz BZKOCCIXFNMQNJ-UHFFFAOYSA-N 1 0 357.461 4.189 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071497611 221351004 /nfs/dbraw/zinc/35/10/04/221351004.db2.gz HFBZNQPROSCARY-INIZCTEOSA-N 1 0 374.479 4.422 50 0 FIAARO Cc1c2cc(C)cc(CNC(=O)[C@@H]3CCC[N@H+]3C)c2[nH]c1-c1ccccc1 ZINC000071721694 221356812 /nfs/dbraw/zinc/35/68/12/221356812.db2.gz XGPHLULCPLSMIG-FQEVSTJZSA-N 1 0 361.489 4.162 50 0 FIAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000071763051 221368885 /nfs/dbraw/zinc/36/88/85/221368885.db2.gz BLOODIFJOACRRL-INIZCTEOSA-N 1 0 371.525 4.047 50 0 FIAARO CCC[N@H+](Cc1cc(F)cc2c1OCOC2)[C@@H]1CCc2ccccc2C1 ZINC000071824867 221380445 /nfs/dbraw/zinc/38/04/45/221380445.db2.gz UZGQJIWFMADQEH-OAQYLSRUSA-N 1 0 355.453 4.462 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071763408 221369454 /nfs/dbraw/zinc/36/94/54/221369454.db2.gz XVFUGIGYAPVJHG-INIZCTEOSA-N 1 0 351.416 4.284 50 0 FIAARO Cc1csc([C@H](C)[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)n1 ZINC000095507278 132213034 /nfs/dbraw/zinc/21/30/34/132213034.db2.gz DOOITIVTUQQPLK-LBPRGKRZSA-N 1 0 373.551 4.084 50 0 FIAARO COCCn1ccnc1C1CCN(c2cc[nH+]c3c(C)cc(C)cc23)CC1 ZINC000095528611 132214943 /nfs/dbraw/zinc/21/49/43/132214943.db2.gz UNKNRHKTGJAUIC-UHFFFAOYSA-N 1 0 364.493 4.079 50 0 FIAARO CC[NH+]1CCN(c2nc(-c3ccc(C)cc3)nc3cc(Cl)ccc32)CC1 ZINC000006775354 132834727 /nfs/dbraw/zinc/83/47/27/132834727.db2.gz NZMFHELXUGHADH-UHFFFAOYSA-N 1 0 366.896 4.401 50 0 FIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000055531347 136126806 /nfs/dbraw/zinc/12/68/06/136126806.db2.gz IURLRRUABBSGOK-UHFFFAOYSA-N 1 0 371.484 4.261 50 0 FIAARO OC[C@H]1CCC[N@@H+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)C1 ZINC000063856288 136133091 /nfs/dbraw/zinc/13/30/91/136133091.db2.gz DDFDLRFHPWWHSM-SFHVURJKSA-N 1 0 368.496 4.166 50 0 FIAARO Cc1cc(N2CCC(CO)(C[C@@H]3CCCCO3)CC2)c2ccccc2[nH+]1 ZINC000067789720 136137615 /nfs/dbraw/zinc/13/76/15/136137615.db2.gz GYAJYYOZBXEGGY-SFHVURJKSA-N 1 0 354.494 4.081 50 0 FIAARO CSc1c(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1C ZINC000068708495 136137793 /nfs/dbraw/zinc/13/77/93/136137793.db2.gz FQKVAUPXHAOYFJ-UHFFFAOYSA-N 1 0 351.519 4.222 50 0 FIAARO CC(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077469932 221631185 /nfs/dbraw/zinc/63/11/85/221631185.db2.gz RZCLDVRGMZHGHO-LJQANCHMSA-N 1 0 370.518 4.380 50 0 FIAARO Cc1cc([C@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000095516913 221940731 /nfs/dbraw/zinc/94/07/31/221940731.db2.gz NGYDNQVXLZTFGC-OAQYLSRUSA-N 1 0 367.493 4.336 50 0 FIAARO Cc1ccc([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000096281447 222109798 /nfs/dbraw/zinc/10/97/98/222109798.db2.gz PHPFSGRLXWCUSC-FGZHOGPDSA-N 1 0 354.538 4.213 50 0 FIAARO CC[NH+]1CCC(N(C(=O)/C=C\c2ccc(Cl)cc2Cl)C2CC2)CC1 ZINC000096133878 222040210 /nfs/dbraw/zinc/04/02/10/222040210.db2.gz JMFMEANUKYZNOJ-YWEYNIOJSA-N 1 0 367.320 4.482 50 0 FIAARO c1ccc(C[N@H+]2CCCC[C@H]2CCNc2nccc(-c3ccccn3)n2)cc1 ZINC000096137626 222040668 /nfs/dbraw/zinc/04/06/68/222040668.db2.gz BJXVAVATBJPTIW-FQEVSTJZSA-N 1 0 373.504 4.395 50 0 FIAARO COCCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(OC(F)F)c2)s1 ZINC000097102336 222159631 /nfs/dbraw/zinc/15/96/31/222159631.db2.gz AWNHEXZSJFFTTL-ZDUSSCGKSA-N 1 0 370.465 4.435 50 0 FIAARO C[NH+](C)Cc1csc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413319 222180992 /nfs/dbraw/zinc/18/09/92/222180992.db2.gz QJHDNYILMGEHFC-LJQANCHMSA-N 1 0 354.523 4.413 50 0 FIAARO Cc1ccc(CN(Cc2ccncc2)C(=O)CCC2CC[NH+](C)CC2)s1 ZINC000097495093 222185610 /nfs/dbraw/zinc/18/56/10/222185610.db2.gz AGKNYINWWAVVPC-UHFFFAOYSA-N 1 0 371.550 4.102 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000107491568 222394602 /nfs/dbraw/zinc/39/46/02/222394602.db2.gz NIWMPJLGBVVWCV-WCQYABFASA-N 1 0 361.338 4.075 50 0 FIAARO CC(C)(c1ccccc1)c1ccc(OCCCCN2CC[NH2+]CC2)cc1 ZINC000020272471 519382573 /nfs/dbraw/zinc/38/25/73/519382573.db2.gz OMCBZDDSQHECJT-UHFFFAOYSA-N 1 0 352.522 4.077 50 0 FIAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329634 520623744 /nfs/dbraw/zinc/62/37/44/520623744.db2.gz NVGINOATPKCPEY-UHFFFAOYSA-N 1 0 359.861 4.082 50 0 FIAARO CCN1CC[NH+](CCCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020390139 521680049 /nfs/dbraw/zinc/68/00/49/521680049.db2.gz XJJPHTPVDQCBER-UHFFFAOYSA-N 1 0 352.522 4.074 50 0 FIAARO CCN1CC[NH+](CCCCOc2cccc(Oc3ccccc3)c2)CC1 ZINC000020406403 521680387 /nfs/dbraw/zinc/68/03/87/521680387.db2.gz YYRQYPHQLWOTMV-UHFFFAOYSA-N 1 0 354.494 4.275 50 0 FIAARO C[NH+](C)Cc1cccc(NC(=O)C2(c3cccc(Br)c3)CC2)c1 ZINC000083851225 521927616 /nfs/dbraw/zinc/92/76/16/521927616.db2.gz IWGPJWMQGABNHG-UHFFFAOYSA-N 1 0 373.294 4.181 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000020535838 522957494 /nfs/dbraw/zinc/95/74/94/522957494.db2.gz VYQUYJBVMLGUIF-QHCPKHFHSA-N 1 0 374.532 4.216 50 0 FIAARO Cc1cccc(-c2ccc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)o2)c1 ZINC000020535952 524109060 /nfs/dbraw/zinc/10/90/60/524109060.db2.gz XXJUIHKRARPRKK-UHFFFAOYSA-N 1 0 372.428 4.321 50 0 FIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012585756 524986088 /nfs/dbraw/zinc/98/60/88/524986088.db2.gz CVUOUWHQQIUYEH-INIZCTEOSA-N 1 0 364.530 4.460 50 0 FIAARO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000072308350 535862648 /nfs/dbraw/zinc/86/26/48/535862648.db2.gz FEIMROCCVQPFJW-NRFANRHFSA-N 1 0 365.521 4.097 50 0 FIAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000019229035 537071420 /nfs/dbraw/zinc/07/14/20/537071420.db2.gz FUTDSOJBYKZGQX-NRFANRHFSA-N 1 0 371.569 4.004 50 0 FIAARO COc1cccc2c1OCCCN(Cc1ccc([C@@H]3CCCO3)s1)C2 ZINC000215427239 568069862 /nfs/dbraw/zinc/06/98/62/568069862.db2.gz MLTSFXSIUHANQK-KRWDZBQOSA-N 1 0 359.491 4.393 50 0 FIAARO c1cc([C@@H]2CCCCO2)sc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000216430733 568123194 /nfs/dbraw/zinc/12/31/94/568123194.db2.gz ZBTJAJSSEAOUTP-SFHVURJKSA-N 1 0 366.596 4.003 50 0 FIAARO CCCCn1ccnc1[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000095355295 570452600 /nfs/dbraw/zinc/45/26/00/570452600.db2.gz IYNMVBWGMLWPQE-SFHVURJKSA-N 1 0 357.498 4.080 50 0 FIAARO CC[C@@H]1CN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC[N@@H+]1C(C)C ZINC000095373689 570457204 /nfs/dbraw/zinc/45/72/04/570457204.db2.gz QBSSPZVEDUQZTB-OAHLLOKOSA-N 1 0 359.901 4.141 50 0 FIAARO CCn1ccc2ccc(C[N@H+]3C[C@@H](c4ccc(C)cc4)[C@H](N(C)C)C3)cc21 ZINC000095504675 570464014 /nfs/dbraw/zinc/46/40/14/570464014.db2.gz YHMJZHZEHOWZNB-LADGPHEKSA-N 1 0 361.533 4.499 50 0 FIAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000095522089 570467394 /nfs/dbraw/zinc/46/73/94/570467394.db2.gz CJKIAEQHVMCTHD-IBGZPJMESA-N 1 0 361.445 4.308 50 0 FIAARO O=C(Nc1ccc2[nH]ccc2c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000095526198 570469013 /nfs/dbraw/zinc/46/90/13/570469013.db2.gz FCPBRFAGPQDEEI-UHFFFAOYSA-N 1 0 374.488 4.223 50 0 FIAARO O=C(NC1CC1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669646 570527146 /nfs/dbraw/zinc/52/71/46/570527146.db2.gz BYGVPQASNMCXRJ-WIYYLYMNSA-N 1 0 352.453 4.058 50 0 FIAARO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682532 570531676 /nfs/dbraw/zinc/53/16/76/570531676.db2.gz SEORKXSDFFIOKE-UHFFFAOYSA-N 1 0 371.484 4.393 50 0 FIAARO CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000034683399 570532163 /nfs/dbraw/zinc/53/21/63/570532163.db2.gz OAWCJBJQBRJRAM-UHFFFAOYSA-N 1 0 366.505 4.362 50 0 FIAARO Cc1cc(Br)cc(C)c1OCCOCC[NH+]1CCC(C)CC1 ZINC000002957208 570545280 /nfs/dbraw/zinc/54/52/80/570545280.db2.gz XHRJNKXXVYRMDI-UHFFFAOYSA-N 1 0 370.331 4.193 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1 ZINC000004115975 570576873 /nfs/dbraw/zinc/57/68/73/570576873.db2.gz BNSPARFXXMWQKK-UHFFFAOYSA-N 1 0 374.488 4.451 50 0 FIAARO C[C@H]1CCc2c(C(=O)NCCC[N@H+](C)Cc3ccccc3)csc2C1 ZINC000005070260 570581660 /nfs/dbraw/zinc/58/16/60/570581660.db2.gz NRBLZSDHSRIEPP-INIZCTEOSA-N 1 0 356.535 4.125 50 0 FIAARO Cc1ccc([C@H](C[NH+]2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 ZINC000004290003 570583387 /nfs/dbraw/zinc/58/33/87/570583387.db2.gz HSYYVIJYVPBYQH-NRFANRHFSA-N 1 0 352.478 4.401 50 0 FIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1F ZINC000004450523 570591160 /nfs/dbraw/zinc/59/11/60/570591160.db2.gz VSZLXTUZWVYMMQ-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1C)c1ccccc1Cl ZINC000011917278 570601851 /nfs/dbraw/zinc/60/18/51/570601851.db2.gz LDBPEJQEFQKCOA-IBGZPJMESA-N 1 0 374.912 4.227 50 0 FIAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004725582 570603138 /nfs/dbraw/zinc/60/31/38/570603138.db2.gz FFHXVHHHMNLQSV-GOSISDBHSA-N 1 0 366.505 4.175 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000004738618 570604193 /nfs/dbraw/zinc/60/41/93/570604193.db2.gz PGONWZZYJNBDTA-UHFFFAOYSA-N 1 0 359.473 4.234 50 0 FIAARO CC[N@H+](Cc1ccccc1)Cc1cc(Br)c(OC)cc1OC ZINC000004987033 570616179 /nfs/dbraw/zinc/61/61/79/570616179.db2.gz YKMFZEPWQCAERK-UHFFFAOYSA-N 1 0 364.283 4.488 50 0 FIAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000249103444 570621059 /nfs/dbraw/zinc/62/10/59/570621059.db2.gz WQHDLIQVBITBPF-JTNHKYCSSA-N 1 0 356.235 4.344 50 0 FIAARO Cc1nn2c(nc(C)cc2NCCC[NH+](C)C)c1-c1ccc(Cl)cc1 ZINC000005518322 570629317 /nfs/dbraw/zinc/62/93/17/570629317.db2.gz ZUQAIODMGSLAKC-UHFFFAOYSA-N 1 0 357.889 4.030 50 0 FIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COc1ccccc1Br ZINC000002696137 570664145 /nfs/dbraw/zinc/66/41/45/570664145.db2.gz XENPODWNAKEKAQ-AWEZNQCLSA-N 1 0 370.331 4.232 50 0 FIAARO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000011937410 570712414 /nfs/dbraw/zinc/71/24/14/570712414.db2.gz QJCNSYFDCCUUGH-IBGZPJMESA-N 1 0 360.457 4.338 50 0 FIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C)cc2)oc1C ZINC000012028447 570714516 /nfs/dbraw/zinc/71/45/16/570714516.db2.gz IUFSHACSJIEHMW-GOSISDBHSA-N 1 0 356.466 4.266 50 0 FIAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](CCCc2ccccc2)C1 ZINC000012058717 570716084 /nfs/dbraw/zinc/71/60/84/570716084.db2.gz AEDZXCSGSXCFBU-QFIPXVFZSA-N 1 0 359.460 4.215 50 0 FIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)oc1C ZINC000012192637 570725675 /nfs/dbraw/zinc/72/56/75/570725675.db2.gz NEGALDLHJNRAGA-HNNXBMFYSA-N 1 0 360.429 4.097 50 0 FIAARO Cc1occc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012200151 570726871 /nfs/dbraw/zinc/72/68/71/570726871.db2.gz TXDUPRDDDYTISH-GOSISDBHSA-N 1 0 374.912 4.268 50 0 FIAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012217234 570728016 /nfs/dbraw/zinc/72/80/16/570728016.db2.gz DEOBDHDSCCIEEE-CZIZESTLSA-N 1 0 372.516 4.025 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012298087 570732704 /nfs/dbraw/zinc/73/27/04/570732704.db2.gz UYEPWAGFYBYIBT-JOCHJYFZSA-N 1 0 361.489 4.113 50 0 FIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1ccccc1 ZINC000012299057 570733344 /nfs/dbraw/zinc/73/33/44/570733344.db2.gz MNCMULPKJGZYPP-KRWDZBQOSA-N 1 0 357.461 4.217 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012301209 570733827 /nfs/dbraw/zinc/73/38/27/570733827.db2.gz DBJAQXONQHGMPP-QFIPXVFZSA-N 1 0 357.469 4.042 50 0 FIAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000012372802 570739593 /nfs/dbraw/zinc/73/95/93/570739593.db2.gz NBMYQUXBBDQPSK-SFHVURJKSA-N 1 0 374.887 4.306 50 0 FIAARO C[C@H]([NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000012383893 570740979 /nfs/dbraw/zinc/74/09/79/570740979.db2.gz BLPJADZLWZYSIL-KRWDZBQOSA-N 1 0 371.444 4.305 50 0 FIAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000012453160 570747087 /nfs/dbraw/zinc/74/70/87/570747087.db2.gz WNOQAKHZFVZHRS-HXUWFJFHSA-N 1 0 374.956 4.409 50 0 FIAARO Cc1ccsc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012576793 570751436 /nfs/dbraw/zinc/75/14/36/570751436.db2.gz BJVUFCBBDKQJSV-GOSISDBHSA-N 1 0 374.525 4.222 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000012581112 570751509 /nfs/dbraw/zinc/75/15/09/570751509.db2.gz JATYSRZPGPQCQP-MRXNPFEDSA-N 1 0 354.498 4.112 50 0 FIAARO C[NH+](C)CCN(C(=O)C1CCCCC1)c1nc2c(cc(F)cc2F)s1 ZINC000004359421 570757425 /nfs/dbraw/zinc/75/74/25/570757425.db2.gz WMPOFCWIGXYBIK-UHFFFAOYSA-N 1 0 367.465 4.049 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccccc3)sc2c1 ZINC000004359509 570758125 /nfs/dbraw/zinc/75/81/25/570758125.db2.gz XBKWCALCXGDHME-UHFFFAOYSA-N 1 0 353.491 4.203 50 0 FIAARO Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccco3)sc2c(C)c1 ZINC000004359806 570758722 /nfs/dbraw/zinc/75/87/22/570758722.db2.gz JBALICRXKCTTSJ-UHFFFAOYSA-N 1 0 357.479 4.105 50 0 FIAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000012746416 570759595 /nfs/dbraw/zinc/75/95/95/570759595.db2.gz YAPZDBRYZMRTKE-MRXNPFEDSA-N 1 0 373.880 4.452 50 0 FIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000012763557 570760627 /nfs/dbraw/zinc/76/06/27/570760627.db2.gz ZOUHLNGTXXCDOM-HNNXBMFYSA-N 1 0 358.432 4.442 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000012820866 570764670 /nfs/dbraw/zinc/76/46/70/570764670.db2.gz LICZEOMACSFGSQ-UHFFFAOYSA-N 1 0 362.395 4.100 50 0 FIAARO Cc1c2ccccc2sc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000032729608 570785277 /nfs/dbraw/zinc/78/52/77/570785277.db2.gz UBEGNWKBSDMFMT-KRWDZBQOSA-N 1 0 356.466 4.382 50 0 FIAARO Clc1ccc(C[NH+]2CCC(Nc3ncnc4sccc43)CC2)cc1 ZINC000032806433 570805794 /nfs/dbraw/zinc/80/57/94/570805794.db2.gz OEMGPJXLPYEJTF-UHFFFAOYSA-N 1 0 358.898 4.421 50 0 FIAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000005704809 570824287 /nfs/dbraw/zinc/82/42/87/570824287.db2.gz CXHMREDVYJJTIN-IBGZPJMESA-N 1 0 356.466 4.025 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(SC)cc2)N3)C1 ZINC000004556402 570834722 /nfs/dbraw/zinc/83/47/22/570834722.db2.gz RMRYXTQFYUFNMC-INIZCTEOSA-N 1 0 359.520 4.277 50 0 FIAARO Cc1nc(C)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)s1 ZINC000032903734 570842322 /nfs/dbraw/zinc/84/23/22/570842322.db2.gz CEZNTBFOYXVTEZ-OAHLLOKOSA-N 1 0 363.552 4.024 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccccc3)sc2cc1C ZINC000004586158 570853216 /nfs/dbraw/zinc/85/32/16/570853216.db2.gz YHXDCMDFTYZHEY-UHFFFAOYSA-N 1 0 353.491 4.122 50 0 FIAARO c1cncc([C@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000109570098 570926068 /nfs/dbraw/zinc/92/60/68/570926068.db2.gz RFQPRAKGHXRYIB-WOJBJXKFSA-N 1 0 360.461 4.389 50 0 FIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCC(Cc2ccccc2)CC1 ZINC000048324396 570945691 /nfs/dbraw/zinc/94/56/91/570945691.db2.gz PHPSWTIKVQAVND-NRFANRHFSA-N 1 0 368.546 4.366 50 0 FIAARO O=C(Cc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189691 570972694 /nfs/dbraw/zinc/97/26/94/570972694.db2.gz AJSYBUWMFPRREN-UHFFFAOYSA-N 1 0 358.485 4.295 50 0 FIAARO Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000072230571 570985367 /nfs/dbraw/zinc/98/53/67/570985367.db2.gz YGVUYBVSOGRYPS-OAHLLOKOSA-N 1 0 363.571 4.276 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331662 570994559 /nfs/dbraw/zinc/99/45/59/570994559.db2.gz KJIWDTACLCRKQK-GOSISDBHSA-N 1 0 373.909 4.291 50 0 FIAARO CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027664236 571018143 /nfs/dbraw/zinc/01/81/43/571018143.db2.gz JWYPEDQKMDTUFP-IBGZPJMESA-N 1 0 372.534 4.494 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)cc1 ZINC000028289329 571029638 /nfs/dbraw/zinc/02/96/38/571029638.db2.gz OELLICYZFWPEPU-NRFANRHFSA-N 1 0 368.521 4.090 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296789 571031352 /nfs/dbraw/zinc/03/13/52/571031352.db2.gz GINHOOKSTSSBFI-QGZVFWFLSA-N 1 0 368.908 4.324 50 0 FIAARO CCCC[N@H+](Cc1cccc(OCC(N)=O)c1)[C@H](CC)c1ccccc1 ZINC000072285250 571040314 /nfs/dbraw/zinc/04/03/14/571040314.db2.gz LHMMMGDLQPNQPC-OAQYLSRUSA-N 1 0 354.494 4.304 50 0 FIAARO O=C(COc1ccc2ccccc2c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429976 571046817 /nfs/dbraw/zinc/04/68/17/571046817.db2.gz CAEDMWGFYQDEKG-UHFFFAOYSA-N 1 0 374.484 4.131 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629338 571047723 /nfs/dbraw/zinc/04/77/23/571047723.db2.gz IXJUTVBEAZDPJW-CYBMUJFWSA-N 1 0 357.401 4.191 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000038673457 571048695 /nfs/dbraw/zinc/04/86/95/571048695.db2.gz BCXMEMQHLJBLHL-CQSZACIVSA-N 1 0 357.401 4.191 50 0 FIAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008571804 571050632 /nfs/dbraw/zinc/05/06/32/571050632.db2.gz TWPAUDUGDSLCJF-UHFFFAOYSA-N 1 0 364.445 4.058 50 0 FIAARO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000225714779 571058468 /nfs/dbraw/zinc/05/84/68/571058468.db2.gz AEAYUWJGVVJONC-XDQVBPFNSA-N 1 0 365.905 4.296 50 0 FIAARO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000225771892 571064375 /nfs/dbraw/zinc/06/43/75/571064375.db2.gz JGVAMICNMZJWNG-YWZLYKJASA-N 1 0 358.432 4.168 50 0 FIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1coc2ccc(Cl)cc2c1=O ZINC000019633214 571070753 /nfs/dbraw/zinc/07/07/53/571070753.db2.gz CCHFSEYCOHBPCK-UHFFFAOYSA-N 1 0 370.880 4.010 50 0 FIAARO C[N@H+](CCO)Cc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl ZINC000225836087 571072310 /nfs/dbraw/zinc/07/23/10/571072310.db2.gz PRMNTSRVECMOMA-UHFFFAOYSA-N 1 0 372.818 4.395 50 0 FIAARO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1OC ZINC000004983915 571072825 /nfs/dbraw/zinc/07/28/25/571072825.db2.gz VNELSWDTGNDESX-UHFFFAOYSA-N 1 0 365.473 4.273 50 0 FIAARO Cc1nc2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2s1 ZINC000040103265 571076144 /nfs/dbraw/zinc/07/61/44/571076144.db2.gz RPZWNGPZAMTDSE-AWEZNQCLSA-N 1 0 360.508 4.091 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000012758050 571078191 /nfs/dbraw/zinc/07/81/91/571078191.db2.gz YKZDVPVLNJBZIH-HSZRJFAPSA-N 1 0 372.512 4.108 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NCCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2c1C ZINC000040146749 571085414 /nfs/dbraw/zinc/08/54/14/571085414.db2.gz JELCIYUKYBFCFA-HOTGVXAUSA-N 1 0 355.526 4.273 50 0 FIAARO CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1C(F)(F)F ZINC000012767315 571086240 /nfs/dbraw/zinc/08/62/40/571086240.db2.gz BYRQRHLQYXETDX-UHFFFAOYSA-N 1 0 358.310 4.054 50 0 FIAARO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038848851 571087818 /nfs/dbraw/zinc/08/78/18/571087818.db2.gz PADWHBPKPOMGNP-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000039399273 571089303 /nfs/dbraw/zinc/08/93/03/571089303.db2.gz JPFRYVRZAWREMG-IBGZPJMESA-N 1 0 350.441 4.210 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(C)n1 ZINC000042881757 571098910 /nfs/dbraw/zinc/09/89/10/571098910.db2.gz OWAXJXKAJGAQOB-KRWDZBQOSA-N 1 0 367.472 4.120 50 0 FIAARO Clc1cc(CSc2ccccc2C2=[NH+]CCCN2)c2c(c1)COCO2 ZINC000042782921 571098921 /nfs/dbraw/zinc/09/89/21/571098921.db2.gz HIBPHRPKSIXCSN-UHFFFAOYSA-N 1 0 374.893 4.239 50 0 FIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)o1 ZINC000042972044 571099217 /nfs/dbraw/zinc/09/92/17/571099217.db2.gz MARHISSWMLSJFN-MRXNPFEDSA-N 1 0 369.440 4.335 50 0 FIAARO O=c1c2cccc(Cl)c2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000043139773 571099762 /nfs/dbraw/zinc/09/97/62/571099762.db2.gz HRYQHFFUHQEMAM-INIZCTEOSA-N 1 0 359.901 4.237 50 0 FIAARO Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)c1C ZINC000009227341 571101506 /nfs/dbraw/zinc/10/15/06/571101506.db2.gz NILBHKXKBDOWKC-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000044932995 571104851 /nfs/dbraw/zinc/10/48/51/571104851.db2.gz NAGVRTXZMUEIPK-HSZRJFAPSA-N 1 0 362.517 4.401 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000044934127 571105230 /nfs/dbraw/zinc/10/52/30/571105230.db2.gz FJNQJAFESMZSMV-QGZVFWFLSA-N 1 0 354.469 4.224 50 0 FIAARO CC(=O)Oc1c(C)cc(C[NH2+]Cc2ccccc2-n2ccnc2C)cc1C ZINC000055036206 571115388 /nfs/dbraw/zinc/11/53/88/571115388.db2.gz KSRWLLBYQCHUNY-UHFFFAOYSA-N 1 0 363.461 4.013 50 0 FIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000055119240 571116723 /nfs/dbraw/zinc/11/67/23/571116723.db2.gz YPPCCECSRNXMQI-CQSZACIVSA-N 1 0 369.983 4.392 50 0 FIAARO Cc1cccc(-c2ncc(C[NH2+]Cc3cccc(OC(F)F)c3)cn2)c1 ZINC000055183085 571117365 /nfs/dbraw/zinc/11/73/65/571117365.db2.gz OWSSKHZIFTYBNV-UHFFFAOYSA-N 1 0 355.388 4.343 50 0 FIAARO C[C@H](c1ccc(C(=O)NCCc2c[nH]c3ccccc23)o1)[NH+]1CCCCC1 ZINC000055271729 571118821 /nfs/dbraw/zinc/11/88/21/571118821.db2.gz JPKZGNRCIOTWLK-MRXNPFEDSA-N 1 0 365.477 4.280 50 0 FIAARO CCn1nc(C)c(C[N@H+](CC)Cc2cccc(Oc3ncccn3)c2)c1C ZINC000055309791 571119071 /nfs/dbraw/zinc/11/90/71/571119071.db2.gz DBTHZWCWRSVCAH-UHFFFAOYSA-N 1 0 365.481 4.124 50 0 FIAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1-n1cccn1 ZINC000055283820 571119138 /nfs/dbraw/zinc/11/91/38/571119138.db2.gz OYIHFULANFGVOI-HNNXBMFYSA-N 1 0 361.424 4.252 50 0 FIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(O)cc2)cc1 ZINC000244884419 571119518 /nfs/dbraw/zinc/11/95/18/571119518.db2.gz YMFNGVVWARZDOY-JOCHJYFZSA-N 1 0 366.505 4.140 50 0 FIAARO Cc1ccc(C[NH+]2CCC(Cc3nncn3-c3ccccc3)CC2)c(C)c1 ZINC000055369166 571120014 /nfs/dbraw/zinc/12/00/14/571120014.db2.gz GJJBQMXFJOPDIF-UHFFFAOYSA-N 1 0 360.505 4.339 50 0 FIAARO Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917372 571120712 /nfs/dbraw/zinc/12/07/12/571120712.db2.gz UFNZDOMGDXGVSU-UHFFFAOYSA-N 1 0 371.531 4.172 50 0 FIAARO CCc1ccc2c(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)coc2c1 ZINC000010022748 571122363 /nfs/dbraw/zinc/12/23/63/571122363.db2.gz UDYFAKYFIRLMAQ-IBGZPJMESA-N 1 0 366.461 4.084 50 0 FIAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCc1ccccc1Cl ZINC000058165206 571126740 /nfs/dbraw/zinc/12/67/40/571126740.db2.gz JUVFLSUDMVJPFH-UHFFFAOYSA-N 1 0 364.876 4.335 50 0 FIAARO COc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000058173175 571127270 /nfs/dbraw/zinc/12/72/70/571127270.db2.gz ZZOFJBYRGLBDSZ-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO Cc1csc(-c2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc2)n1 ZINC000058224402 571129664 /nfs/dbraw/zinc/12/96/64/571129664.db2.gz MNXPGEHKKDKFOX-UHFFFAOYSA-N 1 0 357.523 4.063 50 0 FIAARO CC(CNc1cc([C@H]2C[C@@H]([NH3+])C2)ncn1)(c1ccccc1)c1ccccc1 ZINC000252551794 571134643 /nfs/dbraw/zinc/13/46/43/571134643.db2.gz UHBUXTHBZUZWTR-MSEWRSJXSA-N 1 0 358.489 4.099 50 0 FIAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000026121214 571140370 /nfs/dbraw/zinc/14/03/70/571140370.db2.gz IJIUDIVXMHMTRG-UHFFFAOYSA-N 1 0 356.514 4.273 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000023014666 571153030 /nfs/dbraw/zinc/15/30/30/571153030.db2.gz XWDDCRVMEWFNBE-UHFFFAOYSA-N 1 0 366.549 4.231 50 0 FIAARO Cc1ccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000005937089 571168628 /nfs/dbraw/zinc/16/86/28/571168628.db2.gz RHFYLVFBVMIHFI-MRXNPFEDSA-N 1 0 363.914 4.365 50 0 FIAARO Cc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000005937086 571168641 /nfs/dbraw/zinc/16/86/41/571168641.db2.gz RHFYLVFBVMIHFI-INIZCTEOSA-N 1 0 363.914 4.365 50 0 FIAARO CC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(Br)cc2)N1O ZINC000035475836 571171366 /nfs/dbraw/zinc/17/13/66/571171366.db2.gz WSWANZNJUDDIDM-KRWDZBQOSA-N 1 0 360.231 4.494 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc21 ZINC000575622217 571173430 /nfs/dbraw/zinc/17/34/30/571173430.db2.gz XVGQBIKNINYLDI-IWAYRVGRSA-N 1 0 356.516 4.395 50 0 FIAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072169703 571177364 /nfs/dbraw/zinc/17/73/64/571177364.db2.gz YXOIGVJGPSTGKA-MRXNPFEDSA-N 1 0 370.459 4.217 50 0 FIAARO Cn1cc(CN2CCC[N@H+](C)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072421244 571193207 /nfs/dbraw/zinc/19/32/07/571193207.db2.gz GBXORSNPWLAONI-UHFFFAOYSA-N 1 0 366.553 4.272 50 0 FIAARO O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000072430969 571195518 /nfs/dbraw/zinc/19/55/18/571195518.db2.gz QPPQFVUKDFRDPS-IYBDPMFKSA-N 1 0 365.864 4.065 50 0 FIAARO CN(Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000072480918 571199714 /nfs/dbraw/zinc/19/97/14/571199714.db2.gz XYSKAJYWBRUIPL-QFIPXVFZSA-N 1 0 360.505 4.270 50 0 FIAARO O=C(CCCc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccco2)CC1 ZINC000077302448 571207110 /nfs/dbraw/zinc/20/71/10/571207110.db2.gz YTUYNJQHFZNYQZ-UHFFFAOYSA-N 1 0 360.885 4.037 50 0 FIAARO CC(=O)NCC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000077407983 571210492 /nfs/dbraw/zinc/21/04/92/571210492.db2.gz LHEGETJJBXXGGM-UHFFFAOYSA-N 1 0 350.528 4.053 50 0 FIAARO c1nc(C2CCCCC2)ncc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077471758 571212932 /nfs/dbraw/zinc/21/29/32/571212932.db2.gz SAEGJUJDQSIHPR-OAQYLSRUSA-N 1 0 356.558 4.365 50 0 FIAARO Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000077488885 571213341 /nfs/dbraw/zinc/21/33/41/571213341.db2.gz SDAIUNGVXAAWQN-HXUWFJFHSA-N 1 0 352.478 4.130 50 0 FIAARO CN(C)c1cccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077504212 571213666 /nfs/dbraw/zinc/21/36/66/571213666.db2.gz LQQDKXRAHJRFER-QFIPXVFZSA-N 1 0 365.521 4.182 50 0 FIAARO Cc1[nH]nc(C2CC2)c1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077538104 571215158 /nfs/dbraw/zinc/21/51/58/571215158.db2.gz JYIIEGFPWYJKCU-LJQANCHMSA-N 1 0 366.509 4.025 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)cc1Cl ZINC000023128018 571217360 /nfs/dbraw/zinc/21/73/60/571217360.db2.gz JGLKNFIUJQNXMZ-UHFFFAOYSA-N 1 0 367.276 4.228 50 0 FIAARO Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(C)C)Cc1ccccc1F ZINC000036031287 571238976 /nfs/dbraw/zinc/23/89/76/571238976.db2.gz PSGBKIOGXZGDRF-HXUWFJFHSA-N 1 0 359.485 4.422 50 0 FIAARO CC(C)n1cnnc1C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091434548 571239599 /nfs/dbraw/zinc/23/95/99/571239599.db2.gz PMELEWUTVWJKHN-UHFFFAOYSA-N 1 0 360.505 4.441 50 0 FIAARO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099532 571241710 /nfs/dbraw/zinc/24/17/10/571241710.db2.gz SHLUEGPHJJDBLB-GOSISDBHSA-N 1 0 351.487 4.065 50 0 FIAARO CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103918 571242266 /nfs/dbraw/zinc/24/22/66/571242266.db2.gz KLPWZWVACUNQKZ-HXUWFJFHSA-N 1 0 355.478 4.195 50 0 FIAARO Cc1ccc(-c2csc3[nH]c(C[NH2+]CCC(C)C)nc(=O)c23)c(C)c1 ZINC000036154428 571243910 /nfs/dbraw/zinc/24/39/10/571243910.db2.gz SRTRJQFVUIQPIU-UHFFFAOYSA-N 1 0 355.507 4.404 50 0 FIAARO Clc1ccc([C@H](CC[NH2+]CCCN2CCOCC2)c2ccccc2)cc1 ZINC000006760275 571245398 /nfs/dbraw/zinc/24/53/98/571245398.db2.gz CUFUJSJAAHFSAO-JOCHJYFZSA-N 1 0 372.940 4.174 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169679122 571246929 /nfs/dbraw/zinc/24/69/29/571246929.db2.gz SFCCMILXRNEZJW-WMLDXEAASA-N 1 0 353.915 4.442 50 0 FIAARO C[N@H+](CCOc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007017309 571257332 /nfs/dbraw/zinc/25/73/32/571257332.db2.gz CLENUCGJKFXCOW-UHFFFAOYSA-N 1 0 360.457 4.450 50 0 FIAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000007107253 571261001 /nfs/dbraw/zinc/26/10/01/571261001.db2.gz LMLJZKGATFEKJG-UHFFFAOYSA-N 1 0 373.500 4.163 50 0 FIAARO COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 ZINC000007266281 571263658 /nfs/dbraw/zinc/26/36/58/571263658.db2.gz RNQYWXPCABXUJP-INIZCTEOSA-N 1 0 370.493 4.286 50 0 FIAARO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000170607981 571267257 /nfs/dbraw/zinc/26/72/57/571267257.db2.gz IPFHWUGWWWWWAX-LJQANCHMSA-N 1 0 374.529 4.200 50 0 FIAARO CC(C)n1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613462 571268017 /nfs/dbraw/zinc/26/80/17/571268017.db2.gz GSRDONGTRQHMLT-PXNSSMCTSA-N 1 0 353.510 4.217 50 0 FIAARO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000170623265 571269143 /nfs/dbraw/zinc/26/91/43/571269143.db2.gz HYFHGLFWBCGZNM-NSHDSACASA-N 1 0 362.246 4.185 50 0 FIAARO C[C@H]1C[C@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000076021759 571273713 /nfs/dbraw/zinc/27/37/13/571273713.db2.gz UEEMZVARDQTTSH-DZGCQCFKSA-N 1 0 373.324 4.094 50 0 FIAARO CC[N@H+](Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1)C(C)C ZINC000076022615 571273831 /nfs/dbraw/zinc/27/38/31/571273831.db2.gz NTXGGIGNLPWCOL-UHFFFAOYSA-N 1 0 356.514 4.481 50 0 FIAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037560373 571288047 /nfs/dbraw/zinc/28/80/47/571288047.db2.gz DCRRWPQTGGYFNW-UHFFFAOYSA-N 1 0 370.468 4.242 50 0 FIAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2OC)C(C)C)cc1 ZINC000007872598 571290448 /nfs/dbraw/zinc/29/04/48/571290448.db2.gz AZPFWKVLIDVVAB-QFIPXVFZSA-N 1 0 370.493 4.192 50 0 FIAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000055099730 571319865 /nfs/dbraw/zinc/31/98/65/571319865.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 1 0 368.496 4.322 50 0 FIAARO CCN(Cc1nc2oc(C)c(C)c2c(N)n1)[C@@H](C)c1cccc(OC)c1 ZINC000095966999 571333209 /nfs/dbraw/zinc/33/32/09/571333209.db2.gz IPKLZKIQEHKCKH-ZDUSSCGKSA-N 1 0 354.454 4.014 50 0 FIAARO COc1ccc([C@@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1Cn1cccn1 ZINC000095992562 571333539 /nfs/dbraw/zinc/33/35/39/571333539.db2.gz PINZKYJLRBFIAN-MRXNPFEDSA-N 1 0 362.477 4.059 50 0 FIAARO Cc1ccc([C@H](Oc2ccccc2)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000096027298 571334058 /nfs/dbraw/zinc/33/40/58/571334058.db2.gz AYYOGJJTMLHAIT-QFIPXVFZSA-N 1 0 368.521 4.350 50 0 FIAARO COc1ccc(OC2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096027186 571334101 /nfs/dbraw/zinc/33/41/01/571334101.db2.gz FKMHHEMVTVQTQB-UHFFFAOYSA-N 1 0 371.452 4.341 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1 ZINC000002934105 571341925 /nfs/dbraw/zinc/34/19/25/571341925.db2.gz QLARUGUATQYPPJ-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO COc1ccc(CN2C(=O)C3=C(CCCC3)[C@@H]2[NH2+]Cc2ccccc2)cc1 ZINC000057153994 571342404 /nfs/dbraw/zinc/34/24/04/571342404.db2.gz BESXKYMMPOZABU-JOCHJYFZSA-N 1 0 362.473 4.024 50 0 FIAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000057369663 571342872 /nfs/dbraw/zinc/34/28/72/571342872.db2.gz WHDLDMFWGDOQPP-OAHLLOKOSA-N 1 0 364.445 4.146 50 0 FIAARO CCOc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1 ZINC000003058434 571344388 /nfs/dbraw/zinc/34/43/88/571344388.db2.gz TZWIHCYDSFVLAA-UHFFFAOYSA-N 1 0 361.555 4.121 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000230215472 571344747 /nfs/dbraw/zinc/34/47/47/571344747.db2.gz UQVOMRMVIYDFTC-YPAWHYETSA-N 1 0 370.537 4.451 50 0 FIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3)c2cc1Cl ZINC000057628698 571344802 /nfs/dbraw/zinc/34/48/02/571344802.db2.gz DIHULFNNPRLKOV-UHFFFAOYSA-N 1 0 357.837 4.266 50 0 FIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(SC)c2)CC1 ZINC000003588712 571351372 /nfs/dbraw/zinc/35/13/72/571351372.db2.gz XFOFOSTYFDQTOW-UHFFFAOYSA-N 1 0 351.585 4.302 50 0 FIAARO Fc1ccccc1NC(=S)N(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000003665648 571352185 /nfs/dbraw/zinc/35/21/85/571352185.db2.gz BCCCXMMRDIJKNX-UHFFFAOYSA-N 1 0 361.486 4.104 50 0 FIAARO COc1ccc([C@@H](CNC(=O)CCc2cccs2)[NH+]2CCCCC2)cc1 ZINC000008037395 571358606 /nfs/dbraw/zinc/35/86/06/571358606.db2.gz VPTOPCNGQJZLQD-HXUWFJFHSA-N 1 0 372.534 4.033 50 0 FIAARO c1sc2ncnc(N3CC[NH+](C4CCCC4)CC3)c2c1-c1ccccc1 ZINC000001239742 721854389 /nfs/dbraw/zinc/85/43/89/721854389.db2.gz CZIWGLVKUKXOIK-UHFFFAOYSA-N 1 0 364.518 4.423 50 0 FIAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc1OCc1ccccc1 ZINC000022023025 1081070973 /nfs/dbraw/zinc/07/09/73/1081070973.db2.gz BWYVEWHMISGRDN-AJSBUHFISA-N 1 0 367.489 4.230 50 0 FIAARO CC(C)n1ncc2cc(C[NH+]3CCC(OCc4ccccc4)CC3)cnc21 ZINC000195044331 1084795936 /nfs/dbraw/zinc/79/59/36/1084795936.db2.gz AGPCKXRBKLENSM-UHFFFAOYSA-N 1 0 364.493 4.193 50 0 FIAARO C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCCCC1 ZINC000012223522 1085222338 /nfs/dbraw/zinc/22/23/38/1085222338.db2.gz RVPGJUIZJZAJNS-QGZVFWFLSA-N 1 0 353.466 4.475 50 0 FIAARO COc1ccc(CC[C@H](C)[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004989249 1086440634 /nfs/dbraw/zinc/44/06/34/1086440634.db2.gz QRGZPLQASYQALR-INIZCTEOSA-N 1 0 355.478 4.092 50 0 FIAARO CCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1ccc(OC)cc1 ZINC000888088867 1086538620 /nfs/dbraw/zinc/53/86/20/1086538620.db2.gz VGSFXJUOIOIUJL-IFMALSPDSA-N 1 0 372.553 4.131 50 0 FIAARO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(C(F)F)nc1 ZINC000657861561 1087405891 /nfs/dbraw/zinc/40/58/91/1087405891.db2.gz UQWKUCZEVMAVFB-CYBMUJFWSA-N 1 0 362.420 4.419 50 0 FIAARO Cc1ccc(C[N@@H+]2CC3(C[C@@H]2COc2ccncc2)CCCCC3)nc1 ZINC000257187869 1090304095 /nfs/dbraw/zinc/30/40/95/1090304095.db2.gz CPDTYCRVBONUFV-HXUWFJFHSA-N 1 0 351.494 4.389 50 0 FIAARO CC(C)C[N@@H+]1CCCC[C@@H]1c1nn(Cc2ccccc2)c2c1COCC2 ZINC000675010791 1090885584 /nfs/dbraw/zinc/88/55/84/1090885584.db2.gz JNFILHNXKFFSCK-OAQYLSRUSA-N 1 0 353.510 4.187 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299872781 1091719624 /nfs/dbraw/zinc/71/96/24/1091719624.db2.gz IQRCLEWQOBTXNV-WIYPWKLFSA-N 1 0 363.586 4.119 50 0 FIAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cc[nH]c1C1CC1 ZINC000585080918 1093019521 /nfs/dbraw/zinc/01/95/21/1093019521.db2.gz RTICLBXVZDYYHK-HXUWFJFHSA-N 1 0 365.521 4.095 50 0 FIAARO CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1Cl ZINC000261974712 1099683477 /nfs/dbraw/zinc/68/34/77/1099683477.db2.gz BTHAVHAMNPGYSH-UHFFFAOYSA-N 1 0 363.914 4.180 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)NCc2ccc(F)cc2)CC1 ZINC000257178414 1115663100 /nfs/dbraw/zinc/66/31/00/1115663100.db2.gz BTWHOSQHTQROIX-FQEVSTJZSA-N 1 0 361.505 4.012 50 0 FIAARO O=C(Nc1ccccc1Cl)N1CC(F)(F)C[C@H]1C[NH+]1CCCCC1 ZINC000257192970 1115718245 /nfs/dbraw/zinc/71/82/45/1115718245.db2.gz WRPRENJUIKNDPY-ZDUSSCGKSA-N 1 0 357.832 4.067 50 0 FIAARO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1CC)c1ccc2c(c1)OCCO2 ZINC000180629471 1124384651 /nfs/dbraw/zinc/38/46/51/1124384651.db2.gz TXRIAVURURJWRY-INIZCTEOSA-N 1 0 369.440 4.207 50 0 FIAARO O=C(c1ccccc1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCCCC2)C1 ZINC000034698196 210248447 /nfs/dbraw/zinc/24/84/47/210248447.db2.gz BEOOZJXLEMYVEV-IRLDBZIGSA-N 1 0 366.480 4.167 50 0 FIAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000225351237 210176870 /nfs/dbraw/zinc/17/68/70/210176870.db2.gz WQHDLIQVBITBPF-GYSYKLTISA-N 1 0 356.235 4.344 50 0 FIAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000005274981 210082129 /nfs/dbraw/zinc/08/21/29/210082129.db2.gz QIDGKKNCSDYWRY-BLLLJJGKSA-N 1 0 367.396 4.427 50 0 FIAARO Cc1ccccc1SCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299794129 210035916 /nfs/dbraw/zinc/03/59/16/210035916.db2.gz JVJZIKRDGZXKON-FQEVSTJZSA-N 1 0 368.546 4.431 50 0 FIAARO COc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000299790219 210030917 /nfs/dbraw/zinc/03/09/17/210030917.db2.gz BSYWSUIAVREZLF-QGZVFWFLSA-N 1 0 369.465 4.141 50 0 FIAARO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC000299778457 210023939 /nfs/dbraw/zinc/02/39/39/210023939.db2.gz MRPNNEBEJGQKJF-MRXNPFEDSA-N 1 0 360.885 4.376 50 0 FIAARO Cc1nc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000299761275 210011071 /nfs/dbraw/zinc/01/10/71/210011071.db2.gz IJFQIPXUZWVMAW-HNNXBMFYSA-N 1 0 357.523 4.319 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC(C)C)c(OC)c1 ZINC000001322539 219394529 /nfs/dbraw/zinc/39/45/29/219394529.db2.gz VERCWWZLHSTYDY-OAQYLSRUSA-N 1 0 366.461 4.207 50 0 biogenic FIAARO CC(C)c1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818118 212045421 /nfs/dbraw/zinc/04/54/21/212045421.db2.gz WXCOYWGEESPEPO-UHFFFAOYSA-N 1 0 366.480 4.398 50 0 FIAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)c(C)o2)o1 ZINC000012716668 220020772 /nfs/dbraw/zinc/02/07/72/220020772.db2.gz VQOBYJLOZJUUHN-KRWDZBQOSA-N 1 0 354.454 4.193 50 0 FIAARO CSCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000012715175 220021859 /nfs/dbraw/zinc/02/18/59/220021859.db2.gz SPGWLDVWFSTDRC-QGZVFWFLSA-N 1 0 356.535 4.035 50 0 FIAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012708639 220020033 /nfs/dbraw/zinc/02/00/33/220020033.db2.gz LLURUPSNQVCREX-LJQANCHMSA-N 1 0 353.510 4.166 50 0 FIAARO O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cccc2ccccc21 ZINC000013324843 220064249 /nfs/dbraw/zinc/06/42/49/220064249.db2.gz KOFUHAISWLBBEY-UHFFFAOYSA-N 1 0 361.445 4.316 50 0 FIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000016662700 220190157 /nfs/dbraw/zinc/19/01/57/220190157.db2.gz UOCIFKVMNNJQIT-CYBMUJFWSA-N 1 0 364.283 4.187 50 0 FIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000019361768 220252826 /nfs/dbraw/zinc/25/28/26/220252826.db2.gz SCJUHVVPLYMLCN-QAPCUYQASA-N 1 0 351.332 4.145 50 0 FIAARO CC1(C)CC(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000040023757 211713057 /nfs/dbraw/zinc/71/30/57/211713057.db2.gz VRALXYOCIYMWSV-UHFFFAOYSA-N 1 0 373.419 4.058 50 0 FIAARO CC1CC[NH+](Cc2ccc(CNC(=O)C3(c4ccccc4)CC3)cc2)CC1 ZINC000029358686 211510022 /nfs/dbraw/zinc/51/00/22/211510022.db2.gz MRNVYDPKHMZRSR-UHFFFAOYSA-N 1 0 362.517 4.267 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000023718180 211394855 /nfs/dbraw/zinc/39/48/55/211394855.db2.gz HKPAGEVOPNJLNC-AWEZNQCLSA-N 1 0 357.306 4.017 50 0 FIAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2ccc3n[nH]nc3c2)s1 ZINC000023431690 211389181 /nfs/dbraw/zinc/38/91/81/211389181.db2.gz HCCTXTGSQZYRNN-MRXNPFEDSA-N 1 0 369.494 4.065 50 0 FIAARO CC(=O)c1cc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000023359337 211384974 /nfs/dbraw/zinc/38/49/74/211384974.db2.gz OMHGJNMRORGDSV-HXUWFJFHSA-N 1 0 356.535 4.090 50 0 FIAARO CC(C)c1ccccc1NC(=O)C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000022038325 211334029 /nfs/dbraw/zinc/33/40/29/211334029.db2.gz MFQMWSOJCNDQOP-HXUWFJFHSA-N 1 0 369.509 4.158 50 0 FIAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000021718125 211323237 /nfs/dbraw/zinc/32/32/37/211323237.db2.gz BVTFHAOORXQYOQ-QZTJIDSGSA-N 1 0 357.542 4.471 50 0 FIAARO CSc1cccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000021653312 211319582 /nfs/dbraw/zinc/31/95/82/211319582.db2.gz IGOCSJCLWPPOAZ-UHFFFAOYSA-N 1 0 361.555 4.384 50 0 FIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000020998948 211303808 /nfs/dbraw/zinc/30/38/08/211303808.db2.gz NPDYRMFTFANLAG-WTCGPSRQSA-N 1 0 353.485 4.220 50 0 FIAARO CC(C)C[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440592 211278724 /nfs/dbraw/zinc/27/87/24/211278724.db2.gz MXXPUYROBLEDGR-DHIUTWEWSA-N 1 0 353.506 4.036 50 0 FIAARO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019834657 211256800 /nfs/dbraw/zinc/25/68/00/211256800.db2.gz QCVZMJCLXHNXEV-XMMPIXPASA-N 1 0 372.512 4.127 50 0 FIAARO Brc1cccc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019362947 211218854 /nfs/dbraw/zinc/21/88/54/211218854.db2.gz BCCUSXRMMFIOSF-UHFFFAOYSA-N 1 0 373.338 4.200 50 0 FIAARO Brc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019359689 211217688 /nfs/dbraw/zinc/21/76/88/211217688.db2.gz GBXHMRVYCXYMNZ-UHFFFAOYSA-N 1 0 373.338 4.200 50 0 FIAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000015856035 211146285 /nfs/dbraw/zinc/14/62/85/211146285.db2.gz QUXWJURNURUBJH-UHFFFAOYSA-N 1 0 365.521 4.123 50 0 FIAARO Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)[NH+]2CCCCC2)cc1 ZINC000015018017 211115704 /nfs/dbraw/zinc/11/57/04/211115704.db2.gz BDUJJSNDCGLHIS-JTHBVZDNSA-N 1 0 362.473 4.247 50 0 FIAARO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](C2C3CC4CC(C3)CC2C4)C1 ZINC000015077738 211121491 /nfs/dbraw/zinc/12/14/91/211121491.db2.gz VWHZEUTVHRLOAQ-QLENQQLESA-N 1 0 353.550 4.437 50 0 FIAARO c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)cc1 ZINC000015079039 211121223 /nfs/dbraw/zinc/12/12/23/211121223.db2.gz DLYIWWYRJWTIKA-FQEVSTJZSA-N 1 0 360.461 4.345 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)ccc1O ZINC000015066111 211116881 /nfs/dbraw/zinc/11/68/81/211116881.db2.gz GPHIBULBBSQLHL-MRXNPFEDSA-N 1 0 373.880 4.458 50 0 FIAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)ccc1F ZINC000014969595 211109175 /nfs/dbraw/zinc/10/91/75/211109175.db2.gz HAHCCNXSFJODLR-CYBMUJFWSA-N 1 0 357.404 4.318 50 0 FIAARO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000014969854 211109202 /nfs/dbraw/zinc/10/92/02/211109202.db2.gz JQZGDPAHCNTXAL-FQEVSTJZSA-N 1 0 370.924 4.301 50 0 FIAARO Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)c2)c1 ZINC000014957139 211107063 /nfs/dbraw/zinc/10/70/63/211107063.db2.gz AXTYKRPNWRHMLJ-QFIPXVFZSA-N 1 0 364.489 4.244 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccc(F)cc1F ZINC000014360989 211091353 /nfs/dbraw/zinc/09/13/53/211091353.db2.gz CFUKNVPLZQHNEY-HNAYVOBHSA-N 1 0 357.404 4.113 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 ZINC000014116443 211075252 /nfs/dbraw/zinc/07/52/52/211075252.db2.gz AGZUGQQOFUFKAM-INIZCTEOSA-N 1 0 362.477 4.441 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000013988515 211067733 /nfs/dbraw/zinc/06/77/33/211067733.db2.gz KMYASDYLIWKMTO-HXUWFJFHSA-N 1 0 364.514 4.397 50 0 FIAARO CCc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000013363942 211031723 /nfs/dbraw/zinc/03/17/23/211031723.db2.gz ZRDBTTYQXXVEIS-UHFFFAOYSA-N 1 0 369.484 4.422 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000012987533 211015089 /nfs/dbraw/zinc/01/50/89/211015089.db2.gz CQONTXQPANSLNX-UWJYYQICSA-N 1 0 352.478 4.052 50 0 FIAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000012979051 211013556 /nfs/dbraw/zinc/01/35/56/211013556.db2.gz DJDSWWIKWNIZBH-GOSISDBHSA-N 1 0 373.884 4.307 50 0 FIAARO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000008328527 210781702 /nfs/dbraw/zinc/78/17/02/210781702.db2.gz GBHNLGZJDNHEAB-KSSFIOAISA-N 1 0 356.491 4.239 50 0 FIAARO CC[NH+](CC)CCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000005347921 210614819 /nfs/dbraw/zinc/61/48/19/210614819.db2.gz PPAHIJIYPRABFJ-UHFFFAOYSA-N 1 0 366.421 4.497 50 0 FIAARO CCn1c2nc(SCC[NH+](CC)CC)nnc2c2cc(C)cc(C)c21 ZINC000002431079 210397917 /nfs/dbraw/zinc/39/79/17/210397917.db2.gz ASUSJAPEXYEACV-UHFFFAOYSA-N 1 0 357.527 4.050 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000009917187 210343424 /nfs/dbraw/zinc/34/34/24/210343424.db2.gz QQAWBQVHVSZYAB-UHFFFAOYSA-N 1 0 372.468 4.302 50 0 FIAARO CC(C)(C)c1cc(C[NH2+]CCC(=O)N2CCCC2)cc(C(C)(C)C)c1O ZINC000009834653 210340341 /nfs/dbraw/zinc/34/03/41/210340341.db2.gz BAYXBYNJTVFVJB-UHFFFAOYSA-N 1 0 360.542 4.089 50 0 FIAARO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH2+]Cc2ccccc2)cc1 ZINC000001175500 210330405 /nfs/dbraw/zinc/33/04/05/210330405.db2.gz PNJPLXIHJAOJCR-UHFFFAOYSA-N 1 0 366.486 4.086 50 0 FIAARO Brc1ccccc1CN1CCC([NH+]2CCCCCC2)CC1 ZINC000001157626 210327946 /nfs/dbraw/zinc/32/79/46/210327946.db2.gz VPLSTTDVMKXYNM-UHFFFAOYSA-N 1 0 351.332 4.290 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000000934754 210292802 /nfs/dbraw/zinc/29/28/02/210292802.db2.gz ATPKFVDPYUCYCX-IBGZPJMESA-N 1 0 367.880 4.305 50 0 FIAARO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c2ccccc12 ZINC000000851052 210280384 /nfs/dbraw/zinc/28/03/84/210280384.db2.gz PHBUHYXWJRLCBG-UHFFFAOYSA-N 1 0 367.445 4.164 50 0 FIAARO O[C@@H](COC[C@H]1CC=CCC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000795279 210272849 /nfs/dbraw/zinc/27/28/49/210272849.db2.gz YNYFYZRFYNNBDF-BJKOFHAPSA-N 1 0 365.517 4.423 50 0 FIAARO Brc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)s1 ZINC000021014943 220348052 /nfs/dbraw/zinc/34/80/52/220348052.db2.gz UEEZENKLDYPOOQ-ZDUSSCGKSA-N 1 0 355.301 4.030 50 0 FIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022787592 220398936 /nfs/dbraw/zinc/39/89/36/220398936.db2.gz CXOWQXAKORYSFI-QFIPXVFZSA-N 1 0 366.484 4.021 50 0 FIAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000023127955 220413431 /nfs/dbraw/zinc/41/34/31/220413431.db2.gz OXYUECBQGCCZHV-UHFFFAOYSA-N 1 0 354.416 4.090 50 0 FIAARO CC[NH+](CC)CCNC(=O)c1ccc(COc2cccc3ccccc32)o1 ZINC000032610895 220666791 /nfs/dbraw/zinc/66/67/91/220666791.db2.gz ZIKBFXMFNHXWCN-UHFFFAOYSA-N 1 0 366.461 4.083 50 0 FIAARO CCOc1cc(C[NH2+][C@@H](C)Cc2cnccn2)c(Cl)cc1OC(C)C ZINC000055227369 221062642 /nfs/dbraw/zinc/06/26/42/221062642.db2.gz NPSFOTQKFNMKSH-AWEZNQCLSA-N 1 0 363.889 4.037 50 0 FIAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000057406362 221088032 /nfs/dbraw/zinc/08/80/32/221088032.db2.gz ITFMWEPQFUROGY-QGZVFWFLSA-N 1 0 360.457 4.401 50 0 FIAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3nccs3)cc2)on1 ZINC000065373597 221205700 /nfs/dbraw/zinc/20/57/00/221205700.db2.gz MNQSXFSCAOOGIT-INIZCTEOSA-N 1 0 368.462 4.029 50 0 FIAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)C1 ZINC000065468974 221223312 /nfs/dbraw/zinc/22/33/12/221223312.db2.gz IUOHJNDECVVDIG-JMPLCFMRSA-N 1 0 350.422 4.008 50 0 FIAARO C[C@H](CCCC(C)(C)O)Cc1c(-c2ccccc2)ncn1CCCC[NH3+] ZINC000065492730 221225183 /nfs/dbraw/zinc/22/51/83/221225183.db2.gz WGXUBSWAJHTCDO-GOSISDBHSA-N 1 0 357.542 4.409 50 0 FIAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)C1 ZINC000067677164 221270811 /nfs/dbraw/zinc/27/08/11/221270811.db2.gz BNFNMIQRKBXAIT-LJQANCHMSA-N 1 0 363.509 4.138 50 0 FIAARO C=Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000067712791 221273869 /nfs/dbraw/zinc/27/38/69/221273869.db2.gz HKIJXAKGCXDHPJ-JOCHJYFZSA-N 1 0 350.462 4.051 50 0 FIAARO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1ncccn1 ZINC000067787525 221286241 /nfs/dbraw/zinc/28/62/41/221286241.db2.gz SMBPHESNHOPPMO-UHFFFAOYSA-N 1 0 371.444 4.053 50 0 FIAARO C[C@](O)(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000070009401 221329951 /nfs/dbraw/zinc/32/99/51/221329951.db2.gz JTDMWLQTBXHRFN-OALUTQOASA-N 1 0 364.411 4.099 50 0 FIAARO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071746997 221359918 /nfs/dbraw/zinc/35/99/18/221359918.db2.gz HGQOZPNXVVFBBE-HNNXBMFYSA-N 1 0 351.416 4.284 50 0 FIAARO CCCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)cn1 ZINC000071708176 221355154 /nfs/dbraw/zinc/35/51/54/221355154.db2.gz VPZFQOLQGTVSKP-KRWDZBQOSA-N 1 0 374.479 4.422 50 0 FIAARO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000071839120 221381772 /nfs/dbraw/zinc/38/17/72/221381772.db2.gz AQRRROXWGQEYFM-FQEVSTJZSA-N 1 0 368.912 4.227 50 0 FIAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000071763052 221369979 /nfs/dbraw/zinc/36/99/79/221369979.db2.gz BLOODIFJOACRRL-MRXNPFEDSA-N 1 0 371.525 4.047 50 0 FIAARO Cc1ccc2nc(C)cc(C(=O)N[C@H](CC[NH+](C)C)c3ccccc3)c2c1 ZINC000077407104 221621032 /nfs/dbraw/zinc/62/10/32/221621032.db2.gz SRPUSMBFTFTTPW-OAQYLSRUSA-N 1 0 361.489 4.274 50 0 FIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cncc(Cl)c2)cc1 ZINC000077486909 221635473 /nfs/dbraw/zinc/63/54/73/221635473.db2.gz QLFZBJNAAJPWGV-LJQANCHMSA-N 1 0 357.885 4.164 50 0 FIAARO Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091325774 221751904 /nfs/dbraw/zinc/75/19/04/221751904.db2.gz HXDJEDFRDMUZNE-AZUAARDMSA-N 1 0 368.908 4.385 50 0 FIAARO COc1cccc(-c2cccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)c2)c1 ZINC000096136863 222040568 /nfs/dbraw/zinc/04/05/68/222040568.db2.gz NWSNQFHQYIDAJZ-FQEVSTJZSA-N 1 0 367.493 4.310 50 0 FIAARO COc1cccc(-c2cccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2)c1 ZINC000096136860 222041067 /nfs/dbraw/zinc/04/10/67/222041067.db2.gz NWSNQFHQYIDAJZ-HXUWFJFHSA-N 1 0 367.493 4.310 50 0 FIAARO Cc1nc(C)c(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)s1 ZINC000097578685 222194194 /nfs/dbraw/zinc/19/41/94/222194194.db2.gz GSKWCKYXQPMWCJ-LJQANCHMSA-N 1 0 371.550 4.036 50 0 FIAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000097759331 222211702 /nfs/dbraw/zinc/21/17/02/222211702.db2.gz ZYWRZQZKPJMNRH-IBGZPJMESA-N 1 0 366.461 4.007 50 0 FIAARO CC(C)(CNC(=O)c1ccc(F)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025461465 263388151 /nfs/dbraw/zinc/38/81/51/263388151.db2.gz ZXPWPVLVBBQVLQ-UHFFFAOYSA-N 1 0 360.860 4.046 50 0 FIAARO CCOc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019872009 520730057 /nfs/dbraw/zinc/73/00/57/520730057.db2.gz GPNXIOHGRPOPIQ-AUUYWEPGSA-N 1 0 363.885 4.349 50 0 FIAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH+](C3CCCC3)CC2)C1=O ZINC000055107399 534604869 /nfs/dbraw/zinc/60/48/69/534604869.db2.gz ZIHHYUDFQBEULG-UHFFFAOYSA-N 1 0 355.526 4.268 50 0 FIAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccn(C(C)(C)C)c1 ZINC000082134604 522658024 /nfs/dbraw/zinc/65/80/24/522658024.db2.gz ILSAJINNGUHRFX-UHFFFAOYSA-N 1 0 367.537 4.227 50 0 FIAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3nc(-c4ccco4)oc3C)C2)c1 ZINC000019792623 524914490 /nfs/dbraw/zinc/91/44/90/524914490.db2.gz UBUYYYFJQBQPIP-HNNXBMFYSA-N 1 0 368.433 4.250 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1F ZINC000252443977 526213793 /nfs/dbraw/zinc/21/37/93/526213793.db2.gz IMWXXFCJFDALSZ-VQIMIIECSA-N 1 0 358.844 4.236 50 0 FIAARO c1ccc(-c2nnc(SCC[NH+]3CCCC3)nc2-c2ccccc2)cc1 ZINC000019797040 526457123 /nfs/dbraw/zinc/45/71/23/526457123.db2.gz HYEYHIJEHTULJS-UHFFFAOYSA-N 1 0 362.502 4.394 50 0 FIAARO c1ccc(COc2cccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)c2)cc1 ZINC000082120922 526475425 /nfs/dbraw/zinc/47/54/25/526475425.db2.gz GYWQJSASNWFJHR-NRFANRHFSA-N 1 0 367.489 4.083 50 0 FIAARO Cc1nc(C(C)C)sc1C(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000091425030 526675140 /nfs/dbraw/zinc/67/51/40/526675140.db2.gz FWLRQLISZUNZIF-SFHVURJKSA-N 1 0 371.550 4.184 50 0 FIAARO O=S1(=O)CCC[C@H]([NH2+][C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)C1 ZINC000246080512 527305241 /nfs/dbraw/zinc/30/52/41/527305241.db2.gz UXPHLCCFNDAOQT-BVSLBCMMSA-N 1 0 369.530 4.015 50 0 FIAARO OC(C[NH2+]Cc1ccccc1F)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000020365927 527504360 /nfs/dbraw/zinc/50/43/60/527504360.db2.gz MEZDYAUFXCCUST-UHFFFAOYSA-N 1 0 357.375 4.130 50 0 FIAARO CC(C)(C)c1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070928926 535118474 /nfs/dbraw/zinc/11/84/74/535118474.db2.gz MLWXDXZNHXJJEP-UHFFFAOYSA-N 1 0 366.509 4.417 50 0 FIAARO C[N@@H+]1CCN(Cc2ccc3cc(Cl)ccc3n2)[C@@H](c2ccccc2)C1 ZINC000215415894 568069074 /nfs/dbraw/zinc/06/90/74/568069074.db2.gz AQNPOTOIVNUNKK-OAQYLSRUSA-N 1 0 351.881 4.377 50 0 FIAARO CCCN(Cc1ccccc1OC)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000215681780 568083421 /nfs/dbraw/zinc/08/34/21/568083421.db2.gz PTWXJAITWUKFLJ-FQEVSTJZSA-N 1 0 366.505 4.215 50 0 FIAARO c1ccc(CC[N@@H+]2CCC[C@@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000012300690 568118173 /nfs/dbraw/zinc/11/81/73/568118173.db2.gz FCXLPAOOKPMCFB-XMMPIXPASA-N 1 0 374.532 4.094 50 0 FIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000216429981 568123127 /nfs/dbraw/zinc/12/31/27/568123127.db2.gz ZNNLMRNROODHKU-NRFANRHFSA-N 1 0 373.500 4.433 50 0 FIAARO O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1OC(F)F ZINC000007456868 568236752 /nfs/dbraw/zinc/23/67/52/568236752.db2.gz DMKHHVIMPJXAEM-UHFFFAOYSA-N 1 0 358.388 4.016 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccsc1 ZINC000032800819 568406492 /nfs/dbraw/zinc/40/64/92/568406492.db2.gz LNRDABYMDPTSGB-FQEVSTJZSA-N 1 0 350.487 4.448 50 0 FIAARO CCc1oc(C(=O)N2CCC[C@H]2c2nccs2)cc1C[NH+](CC)CC ZINC000222763153 568560656 /nfs/dbraw/zinc/56/06/56/568560656.db2.gz CFAMISLKTMWEKT-HNNXBMFYSA-N 1 0 361.511 4.118 50 0 FIAARO Cc1cccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1F ZINC000091846936 570440513 /nfs/dbraw/zinc/44/05/13/570440513.db2.gz GDSWCFISWRLTIN-UHFFFAOYSA-N 1 0 358.501 4.281 50 0 FIAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091848972 570441133 /nfs/dbraw/zinc/44/11/33/570441133.db2.gz LRSAUQGVPFQYRZ-PKOBYXMFSA-N 1 0 365.477 4.134 50 0 FIAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC[NH2+]1 ZINC000426411138 570449907 /nfs/dbraw/zinc/44/99/07/570449907.db2.gz BLUYLDDFSBIGCR-INIZCTEOSA-N 1 0 363.288 4.484 50 0 FIAARO CCOc1ccccc1NC(=O)N1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095352226 570451753 /nfs/dbraw/zinc/45/17/53/570451753.db2.gz MWGOFZVJDRTTMD-INIZCTEOSA-N 1 0 356.470 4.274 50 0 FIAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095372470 570456860 /nfs/dbraw/zinc/45/68/60/570456860.db2.gz VSSAXAMXDGPPCQ-RRGNZLCHSA-N 1 0 364.518 4.281 50 0 FIAARO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095378351 570457712 /nfs/dbraw/zinc/45/77/12/570457712.db2.gz YBZMXCIMLZGOGM-CQSZACIVSA-N 1 0 374.460 4.046 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3Cc3cscn3)C2)c(C)c1 ZINC000095391954 570461317 /nfs/dbraw/zinc/46/13/17/570461317.db2.gz WHTPUYBECQFACU-LJQANCHMSA-N 1 0 366.534 4.384 50 0 FIAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000095525431 570468371 /nfs/dbraw/zinc/46/83/71/570468371.db2.gz YISPAHFYWRLFLA-IBGZPJMESA-N 1 0 368.908 4.434 50 0 FIAARO COc1cccc([C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000072309097 570522342 /nfs/dbraw/zinc/52/23/42/570522342.db2.gz IAJLYLUEIQNBPH-CYBMUJFWSA-N 1 0 351.393 4.498 50 0 FIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(Br)c(F)c1 ZINC000002514905 570523059 /nfs/dbraw/zinc/52/30/59/570523059.db2.gz UCSONMXCMGWKGL-UHFFFAOYSA-N 1 0 360.226 4.191 50 0 FIAARO CCN(C(=O)Nc1ccccc1OC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314426 570524959 /nfs/dbraw/zinc/52/49/59/570524959.db2.gz GCNFOUSLLJUFNE-HKUYNNGSSA-N 1 0 367.493 4.385 50 0 FIAARO CCOc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000002861555 570539742 /nfs/dbraw/zinc/53/97/42/570539742.db2.gz NRWKBSYCERXZDR-UHFFFAOYSA-N 1 0 370.276 4.053 50 0 FIAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864458 570569623 /nfs/dbraw/zinc/56/96/23/570569623.db2.gz KQKVDCCZURCHDA-JNCPLXCYSA-N 1 0 357.538 4.282 50 0 FIAARO Clc1ccccc1CN1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004140875 570578687 /nfs/dbraw/zinc/57/86/87/570578687.db2.gz NPMMDFRBFIAALJ-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(F)cc1 ZINC000004413578 570590290 /nfs/dbraw/zinc/59/02/90/570590290.db2.gz QVEHKRPUXDXVMM-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3cccs3)sc2cc1C ZINC000005152600 570591753 /nfs/dbraw/zinc/59/17/53/570591753.db2.gz QGKKDSHLMWZDDM-UHFFFAOYSA-N 1 0 359.520 4.183 50 0 FIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1Br ZINC000004664877 570599263 /nfs/dbraw/zinc/59/92/63/570599263.db2.gz YWVKMVVLVWWFKH-CQSZACIVSA-N 1 0 362.267 4.126 50 0 FIAARO CCOC(=O)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004690388 570600937 /nfs/dbraw/zinc/60/09/37/570600937.db2.gz UMGCKPUYKCINEQ-UHFFFAOYSA-N 1 0 353.462 4.041 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000004738621 570604115 /nfs/dbraw/zinc/60/41/15/570604115.db2.gz PAKSQERJXNWDAV-UHFFFAOYSA-N 1 0 351.494 4.204 50 0 FIAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 ZINC000004746177 570604502 /nfs/dbraw/zinc/60/45/02/570604502.db2.gz BYXOBSBAQAKJRU-FQEVSTJZSA-N 1 0 368.908 4.137 50 0 FIAARO C[NH+](C)Cc1ccc([C@]2(c3ccccc3)O[C@](C)(O)c3ccccc32)cc1 ZINC000004797746 570607103 /nfs/dbraw/zinc/60/71/03/570607103.db2.gz BGUFLAMMGLHEGY-ZEQRLZLVSA-N 1 0 359.469 4.235 50 0 FIAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)C1 ZINC000426488396 570608912 /nfs/dbraw/zinc/60/89/12/570608912.db2.gz URUDDFIDMKJGBA-NRFANRHFSA-N 1 0 373.500 4.458 50 0 FIAARO COc1cccc(OC)c1OCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004832049 570609098 /nfs/dbraw/zinc/60/90/98/570609098.db2.gz JKXQZIHAEOBKON-UHFFFAOYSA-N 1 0 369.505 4.427 50 0 FIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000004981255 570615670 /nfs/dbraw/zinc/61/56/70/570615670.db2.gz WLYVKYNIPIOPDY-SFHVURJKSA-N 1 0 368.521 4.074 50 0 FIAARO C[NH+](C)CCNc1cc(C(C)(C)C)nc2c(-c3ccccc3Cl)cnn21 ZINC000005347033 570623941 /nfs/dbraw/zinc/62/39/41/570623941.db2.gz IBIHAYBIZJKDEY-UHFFFAOYSA-N 1 0 371.916 4.321 50 0 FIAARO CC1(C)Cc2nc(-c3ccccc3)nc(SCC[NH+]3CCCC3)c2CO1 ZINC000005321975 570648661 /nfs/dbraw/zinc/64/86/61/570648661.db2.gz ZEOVTTZIFANIEI-UHFFFAOYSA-N 1 0 369.534 4.183 50 0 FIAARO CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008326400 570680320 /nfs/dbraw/zinc/68/03/20/570680320.db2.gz JYQKFFMEDNOYKX-INIZCTEOSA-N 1 0 354.277 4.433 50 0 FIAARO CCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000008613232 570683770 /nfs/dbraw/zinc/68/37/70/570683770.db2.gz UMWLAEMMHADFSW-LJQANCHMSA-N 1 0 358.526 4.346 50 0 FIAARO Cc1cccc(C[NH+]2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000009063074 570691279 /nfs/dbraw/zinc/69/12/79/570691279.db2.gz GZPQADVVSBFUMU-UHFFFAOYSA-N 1 0 366.549 4.292 50 0 FIAARO Cc1nccn1-c1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000180033662 570694820 /nfs/dbraw/zinc/69/48/20/570694820.db2.gz PPFMCNIPUWSJCH-HXUWFJFHSA-N 1 0 352.869 4.470 50 0 FIAARO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000010325142 570699765 /nfs/dbraw/zinc/69/97/65/570699765.db2.gz LRZDMZPWTBQNQN-UHFFFAOYSA-N 1 0 366.461 4.020 50 0 FIAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CCCC1 ZINC000011661456 570704183 /nfs/dbraw/zinc/70/41/83/570704183.db2.gz IQFUHDDEQWIAPL-LJQANCHMSA-N 1 0 360.517 4.119 50 0 FIAARO CN(Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667107 570705120 /nfs/dbraw/zinc/70/51/20/570705120.db2.gz OBIVEVRZSWHAQJ-FQEVSTJZSA-N 1 0 357.929 4.122 50 0 FIAARO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1CCCC[C@@H]1CCCO ZINC000011753711 570706173 /nfs/dbraw/zinc/70/61/73/570706173.db2.gz WYEGTGUTQRERGE-OAHLLOKOSA-N 1 0 350.409 4.055 50 0 FIAARO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000011719791 570706393 /nfs/dbraw/zinc/70/63/93/570706393.db2.gz VKIASFLWSXDLFR-SFHVURJKSA-N 1 0 365.502 4.337 50 0 FIAARO COCc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)ccc1OC ZINC000011775230 570706756 /nfs/dbraw/zinc/70/67/56/570706756.db2.gz VAPQYQLYOBXDCA-QGZVFWFLSA-N 1 0 373.518 4.306 50 0 FIAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CCc1ccccc1Cl ZINC000011813130 570707190 /nfs/dbraw/zinc/70/71/90/570707190.db2.gz XIGQIQSSJXZOOK-LJQANCHMSA-N 1 0 374.887 4.193 50 0 FIAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000011843599 570709968 /nfs/dbraw/zinc/70/99/68/570709968.db2.gz STKFWZKURTWBAL-UHFFFAOYSA-N 1 0 354.498 4.013 50 0 FIAARO COc1ccccc1C[NH2+][C@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000011873075 570710192 /nfs/dbraw/zinc/71/01/92/570710192.db2.gz JQTJMAGLHXPEKM-QGZVFWFLSA-N 1 0 368.525 4.415 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000011955296 570712903 /nfs/dbraw/zinc/71/29/03/570712903.db2.gz BEASWBBMTGTMCF-KRWDZBQOSA-N 1 0 373.880 4.452 50 0 FIAARO CSc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012057656 570716031 /nfs/dbraw/zinc/71/60/31/570716031.db2.gz NCOHQCNYAYVYNQ-LJQANCHMSA-N 1 0 368.546 4.236 50 0 FIAARO COc1cc(-c2nc(C[N@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)ccc1F ZINC000012076099 570716995 /nfs/dbraw/zinc/71/69/95/570716995.db2.gz YDZRRCOGLAZVKD-KRWDZBQOSA-N 1 0 374.456 4.189 50 0 FIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000012090328 570718239 /nfs/dbraw/zinc/71/82/39/570718239.db2.gz OPHLCDIIEPYAGP-KGUVVTLUSA-N 1 0 365.517 4.416 50 0 FIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000012306391 570734867 /nfs/dbraw/zinc/73/48/67/570734867.db2.gz XECJISNSNZBORQ-LJQANCHMSA-N 1 0 351.450 4.219 50 0 FIAARO CC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012576849 570751433 /nfs/dbraw/zinc/75/14/33/570751433.db2.gz VYDGIBQQEYOQMM-QGZVFWFLSA-N 1 0 373.859 4.192 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1OC ZINC000012578778 570751460 /nfs/dbraw/zinc/75/14/60/570751460.db2.gz SRTAAKJZWIGKMQ-INIZCTEOSA-N 1 0 362.420 4.059 50 0 FIAARO Cc1ccc(-n2cc(C[NH2+]C[C@@H]3CCCO3)c(-c3cccc(C)c3)n2)cc1 ZINC000012582431 570751480 /nfs/dbraw/zinc/75/14/80/570751480.db2.gz FLYREOXNZGXEQF-QFIPXVFZSA-N 1 0 361.489 4.425 50 0 FIAARO CC(=O)c1cccc(NC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012587826 570751955 /nfs/dbraw/zinc/75/19/55/570751955.db2.gz LUCOPYWIWSOUIO-IBGZPJMESA-N 1 0 357.498 4.198 50 0 FIAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1CO ZINC000012589499 570752008 /nfs/dbraw/zinc/75/20/08/570752008.db2.gz WXJMOTGKHSOCOA-OAQYLSRUSA-N 1 0 372.484 4.182 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC)c2)C1 ZINC000012596774 570753166 /nfs/dbraw/zinc/75/31/66/570753166.db2.gz KWQGFFATRBRDPC-LJQANCHMSA-N 1 0 353.462 4.189 50 0 FIAARO Cc1ccc(-n2cc(C[N@@H+](C)[C@H]3CCOC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012760558 570760371 /nfs/dbraw/zinc/76/03/71/570760371.db2.gz DRGJNUXIVIYMHS-NRFANRHFSA-N 1 0 365.452 4.208 50 0 FIAARO CC(C)NC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004435127 570782610 /nfs/dbraw/zinc/78/26/10/570782610.db2.gz QIPDKRAIXLMYDU-UHFFFAOYSA-N 1 0 352.478 4.216 50 0 FIAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032751124 570791521 /nfs/dbraw/zinc/79/15/21/570791521.db2.gz LJICEEKUANFLPZ-JTHBVZDNSA-N 1 0 369.480 4.245 50 0 FIAARO C[N@@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005698921 570817659 /nfs/dbraw/zinc/81/76/59/570817659.db2.gz YIDXBWFTQDFDLB-CALCHBBNSA-N 1 0 362.256 4.237 50 0 FIAARO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504402 570839744 /nfs/dbraw/zinc/83/97/44/570839744.db2.gz IQGAIIHSUQCELO-ORAYPTAESA-N 1 0 358.869 4.417 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000005741028 570869995 /nfs/dbraw/zinc/86/99/95/570869995.db2.gz SVVXTNOUPDFZGK-SFHVURJKSA-N 1 0 362.498 4.440 50 0 FIAARO Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047454220 570888381 /nfs/dbraw/zinc/88/83/81/570888381.db2.gz GRDWWDCLTFQUCQ-UHFFFAOYSA-N 1 0 353.397 4.103 50 0 FIAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 ZINC000108172343 570904077 /nfs/dbraw/zinc/90/40/77/570904077.db2.gz WJYFAQYBMUXADQ-BYCMXARLSA-N 1 0 366.552 4.181 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000048235956 570937585 /nfs/dbraw/zinc/93/75/85/570937585.db2.gz XOKUFQXZCXXERQ-QGZVFWFLSA-N 1 0 358.511 4.225 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1sccc1-c1ccccc1)c1ccccc1 ZINC000048354459 570949601 /nfs/dbraw/zinc/94/96/01/570949601.db2.gz IUTZZOOEIAERSG-LJQANCHMSA-N 1 0 350.487 4.448 50 0 FIAARO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(OC)c1 ZINC000058581605 570956274 /nfs/dbraw/zinc/95/62/74/570956274.db2.gz WSVMONBHLQEVIE-QLGSUFQJSA-N 1 0 373.518 4.367 50 0 FIAARO COc1cc2[nH+]c(N3CCc4ccccc4C3)cc(C)c2c(OC)c1OC ZINC000023634267 570965976 /nfs/dbraw/zinc/96/59/76/570965976.db2.gz WPHFHWXCFYFSRJ-UHFFFAOYSA-N 1 0 364.445 4.132 50 0 FIAARO c1sc2ccccc2c1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000025139621 570991370 /nfs/dbraw/zinc/99/13/70/570991370.db2.gz LAJZHDANTCSSMY-UHFFFAOYSA-N 1 0 362.502 4.095 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000025776858 571000575 /nfs/dbraw/zinc/00/05/75/571000575.db2.gz WQCIJGUZGFWVLU-LJQANCHMSA-N 1 0 350.487 4.448 50 0 FIAARO C[NH+](C)C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000026323163 571004711 /nfs/dbraw/zinc/00/47/11/571004711.db2.gz PDLVSTZTHMXUIF-GOSISDBHSA-N 1 0 369.852 4.028 50 0 FIAARO C[NH+](C)C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000026323167 571004759 /nfs/dbraw/zinc/00/47/59/571004759.db2.gz PDLVSTZTHMXUIF-SFHVURJKSA-N 1 0 369.852 4.028 50 0 FIAARO COc1cccc([C@@H](CNC(=O)Nc2cccc3ccccc32)[NH+](C)C)c1 ZINC000011004856 571004865 /nfs/dbraw/zinc/00/48/65/571004865.db2.gz ZZCMZYKIYYSDOX-OAQYLSRUSA-N 1 0 363.461 4.273 50 0 FIAARO CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580655 571013971 /nfs/dbraw/zinc/01/39/71/571013971.db2.gz YUINCNZGGHFOOA-IBGZPJMESA-N 1 0 372.534 4.033 50 0 FIAARO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583815 571014965 /nfs/dbraw/zinc/01/49/65/571014965.db2.gz HYJSCULMVNMHCQ-FQEVSTJZSA-N 1 0 372.896 4.306 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027989301 571024963 /nfs/dbraw/zinc/02/49/63/571024963.db2.gz MPFBFMYFANYXDX-NRFANRHFSA-N 1 0 354.469 4.481 50 0 FIAARO CC[NH+](CC)C1CCN(C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000072272928 571027752 /nfs/dbraw/zinc/02/77/52/571027752.db2.gz SUFQGFHZZLXUAN-KRWDZBQOSA-N 1 0 360.542 4.084 50 0 FIAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028289379 571029531 /nfs/dbraw/zinc/02/95/31/571029531.db2.gz ZLCBCMVASDZGRH-IBGZPJMESA-N 1 0 354.494 4.025 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3F)s2)N1 ZINC000028511588 571032968 /nfs/dbraw/zinc/03/29/68/571032968.db2.gz WPPUGRHWZWVMPV-KRWDZBQOSA-N 1 0 363.421 4.000 50 0 FIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(Br)c1 ZINC000029483251 571040520 /nfs/dbraw/zinc/04/05/20/571040520.db2.gz CAANFQHZJYXZCG-GOSISDBHSA-N 1 0 373.294 4.315 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(C)c3)c(C)c2)CC1 ZINC000029617193 571041792 /nfs/dbraw/zinc/04/17/92/571041792.db2.gz ALCYWEWQADIHBD-UHFFFAOYSA-N 1 0 352.482 4.089 50 0 FIAARO COc1cccc(OC)c1OCCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000008739613 571058660 /nfs/dbraw/zinc/05/86/60/571058660.db2.gz APOOIRABIOCBJH-LJQANCHMSA-N 1 0 370.493 4.485 50 0 biogenic FIAARO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC ZINC000008750680 571059366 /nfs/dbraw/zinc/05/93/66/571059366.db2.gz HWPFSAWYKARLIE-OAHLLOKOSA-N 1 0 355.478 4.442 50 0 FIAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018654 571061285 /nfs/dbraw/zinc/06/12/85/571061285.db2.gz PVTVPOSYKCLEAP-UHFFFAOYSA-N 1 0 351.446 4.058 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008862612 571063819 /nfs/dbraw/zinc/06/38/19/571063819.db2.gz VHJXJOAKQWPFHB-OAQYLSRUSA-N 1 0 364.514 4.397 50 0 FIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000023282501 571073322 /nfs/dbraw/zinc/07/33/22/571073322.db2.gz GZHDMYUUVJZBHK-INIZCTEOSA-N 1 0 374.912 4.110 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000040118854 571080081 /nfs/dbraw/zinc/08/00/81/571080081.db2.gz UOMLMFBWHHTDPJ-CALCHBBNSA-N 1 0 373.566 4.103 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1 ZINC000040121674 571080961 /nfs/dbraw/zinc/08/09/61/571080961.db2.gz HRQLZOXQFWGHDF-INIZCTEOSA-N 1 0 365.474 4.100 50 0 FIAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)o1 ZINC000042972041 571099233 /nfs/dbraw/zinc/09/92/33/571099233.db2.gz MARHISSWMLSJFN-INIZCTEOSA-N 1 0 369.440 4.335 50 0 FIAARO COc1ccccc1OCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000240936909 571109269 /nfs/dbraw/zinc/10/92/69/571109269.db2.gz SFSSXFUQMVWVLI-IBGZPJMESA-N 1 0 365.477 4.188 50 0 FIAARO CCC[N@H+](Cc1ccc2c3c1cccc3C(=O)OC2)[C@@H]1CCCC[C@H]1O ZINC000240824859 571109354 /nfs/dbraw/zinc/10/93/54/571109354.db2.gz QLMTYSYXRVPCKT-WOJBJXKFSA-N 1 0 353.462 4.026 50 0 FIAARO CC[NH+](CC)CCc1ccc(NC(=O)NCc2csc(C(C)C)n2)cc1 ZINC000241439920 571109917 /nfs/dbraw/zinc/10/99/17/571109917.db2.gz NNMINWWQLHAELR-UHFFFAOYSA-N 1 0 374.554 4.473 50 0 FIAARO CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccc(COC)cc2)CC1 ZINC000242140820 571110905 /nfs/dbraw/zinc/11/09/05/571110905.db2.gz WPMHCKRRXMXJBS-UHFFFAOYSA-N 1 0 361.530 4.199 50 0 FIAARO Cc1csc(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)c1Cl ZINC000242339242 571111166 /nfs/dbraw/zinc/11/11/66/571111166.db2.gz ZGEIKVLUIQWWKO-UHFFFAOYSA-N 1 0 362.926 4.413 50 0 FIAARO COc1cc(C[NH+]2CCC(COCc3ccccc3)CC2)cc(OC)c1 ZINC000070655726 571114485 /nfs/dbraw/zinc/11/44/85/571114485.db2.gz ZQQDWCZJMPCKSE-UHFFFAOYSA-N 1 0 355.478 4.133 50 0 FIAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+]Cc2cccc3[nH]ccc32)c1C ZINC000055154950 571116837 /nfs/dbraw/zinc/11/68/37/571116837.db2.gz HTIDWGMJYAALLP-UHFFFAOYSA-N 1 0 350.462 4.446 50 0 FIAARO O=C(NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 ZINC000057986634 571123281 /nfs/dbraw/zinc/12/32/81/571123281.db2.gz UJMYDXIXYMUQJD-OAQYLSRUSA-N 1 0 352.453 4.098 50 0 FIAARO COc1c(Cl)cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000057992581 571123806 /nfs/dbraw/zinc/12/38/06/571123806.db2.gz LVSZJVXFWVCKPR-ZDUSSCGKSA-N 1 0 373.305 4.096 50 0 FIAARO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000010281650 571124853 /nfs/dbraw/zinc/12/48/53/571124853.db2.gz DYQZPPMNWHZQOL-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO C[C@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010329997 571125227 /nfs/dbraw/zinc/12/52/27/571125227.db2.gz IWCBZEPRTKURTH-LJQANCHMSA-N 1 0 350.506 4.424 50 0 FIAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000058169400 571126987 /nfs/dbraw/zinc/12/69/87/571126987.db2.gz CGADNZHJVCBUFX-LJQANCHMSA-N 1 0 371.550 4.123 50 0 FIAARO CCCOc1ccc(Cl)cc1CNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(C)n1 ZINC000252537387 571134416 /nfs/dbraw/zinc/13/44/16/571134416.db2.gz LAFKTXKPVFWTPG-AKAXFMLLSA-N 1 0 360.889 4.044 50 0 FIAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c(OC)c1 ZINC000004678326 571158516 /nfs/dbraw/zinc/15/85/16/571158516.db2.gz JFARBVZMJCKGNJ-UHFFFAOYSA-N 1 0 357.841 4.370 50 0 FIAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1ccc(-c3cccnc3)cc1)CC2 ZINC000072138959 571171674 /nfs/dbraw/zinc/17/16/74/571171674.db2.gz WMLAUXVVHKOISR-DEOSSOPVSA-N 1 0 370.496 4.199 50 0 FIAARO CC(=O)c1cccc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072158133 571175333 /nfs/dbraw/zinc/17/53/33/571175333.db2.gz YYFZVRARDMNFBC-ISJGIBHGSA-N 1 0 374.528 4.260 50 0 FIAARO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072161750 571175670 /nfs/dbraw/zinc/17/56/70/571175670.db2.gz AJKZOXWBQYKOMQ-HXUWFJFHSA-N 1 0 356.466 4.097 50 0 FIAARO CC(C)CC(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000072166207 571176808 /nfs/dbraw/zinc/17/68/08/571176808.db2.gz PSHJYPKJMPJIQN-KRWDZBQOSA-N 1 0 364.480 4.071 50 0 FIAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072168718 571177031 /nfs/dbraw/zinc/17/70/31/571177031.db2.gz YAHUZSXZKPCUSM-QGZVFWFLSA-N 1 0 370.459 4.217 50 0 FIAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3C)C2)cc1 ZINC000072169004 571177360 /nfs/dbraw/zinc/17/73/60/571177360.db2.gz LPYCCYAWMSBQOJ-LJQANCHMSA-N 1 0 350.506 4.199 50 0 FIAARO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+]C(C)(C)CC ZINC000012617207 571191549 /nfs/dbraw/zinc/19/15/49/571191549.db2.gz DUAJEKALOZQCST-UHFFFAOYSA-N 1 0 374.506 4.309 50 0 FIAARO COc1ccc2cc(C[NH+]3CCC(O)CC3)c(-c3cccc(C)c3)nc2c1 ZINC000072435717 571196588 /nfs/dbraw/zinc/19/65/88/571196588.db2.gz IHDBJWIWLUAGNY-UHFFFAOYSA-N 1 0 362.473 4.176 50 0 FIAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2sc(CCOC)nc2C)C12CCCC2 ZINC000092753721 571199078 /nfs/dbraw/zinc/19/90/78/571199078.db2.gz VSACRZXFFBFASW-CWRNSKLLSA-N 1 0 352.544 4.029 50 0 FIAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCCOCC2)cc1 ZINC000072481247 571200021 /nfs/dbraw/zinc/20/00/21/571200021.db2.gz AUQJXPYNNAABMT-UHFFFAOYSA-N 1 0 362.473 4.441 50 0 FIAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000075572450 571201019 /nfs/dbraw/zinc/20/10/19/571201019.db2.gz GJQCADJHRFMBOK-AWEZNQCLSA-N 1 0 357.420 4.339 50 0 FIAARO CCn1c(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 ZINC000054173575 571202827 /nfs/dbraw/zinc/20/28/27/571202827.db2.gz SVJCRXFARGVVCW-OAHLLOKOSA-N 1 0 362.477 4.256 50 0 FIAARO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)on2)cc1 ZINC000077301509 571206926 /nfs/dbraw/zinc/20/69/26/571206926.db2.gz WIEFEYZHGZHQIB-LJQANCHMSA-N 1 0 350.466 4.291 50 0 FIAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)c1 ZINC000077322707 571207593 /nfs/dbraw/zinc/20/75/93/571207593.db2.gz JBACTYXAXAHOOR-FQEVSTJZSA-N 1 0 353.514 4.166 50 0 FIAARO CCOCCC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000006537357 571208175 /nfs/dbraw/zinc/20/81/75/571208175.db2.gz OKAAAOOABNJQNS-LJQANCHMSA-N 1 0 365.558 4.156 50 0 FIAARO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccsc3)cc(=O)oc2c1 ZINC000052803358 571208274 /nfs/dbraw/zinc/20/82/74/571208274.db2.gz GGVOSUGYHRPDKS-GOSISDBHSA-N 1 0 368.458 4.150 50 0 FIAARO COc1c(F)cc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)cc1Cl ZINC000077487827 571213509 /nfs/dbraw/zinc/21/35/09/571213509.db2.gz RQJJFYYQOYGMMT-HNNXBMFYSA-N 1 0 351.853 4.129 50 0 FIAARO COc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)c(-n2nc(C)cc2C)c1 ZINC000426438761 571225208 /nfs/dbraw/zinc/22/52/08/571225208.db2.gz CTNCSGHSLRZHIC-UHFFFAOYSA-N 1 0 362.477 4.156 50 0 FIAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]c4ccc(Cl)cc4c3C)[C@H]2C1 ZINC000426474224 571227098 /nfs/dbraw/zinc/22/70/98/571227098.db2.gz JBEDDAHEHPHMDY-UIAACRFSSA-N 1 0 362.901 4.288 50 0 FIAARO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-c2cccc(F)c2F)cc1 ZINC000426473526 571227241 /nfs/dbraw/zinc/22/72/41/571227241.db2.gz KWIODYUVABOTPW-UHFFFAOYSA-N 1 0 358.432 4.236 50 0 FIAARO CO[C@]12CC[N@H+](Cc3cc(C)cc(C)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426511677 571229357 /nfs/dbraw/zinc/22/93/57/571229357.db2.gz MVKBJDXZVAQVLZ-QNWVGRARSA-N 1 0 366.505 4.289 50 0 FIAARO O=C(c1ccc(-c2ccccc2)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426515779 571229645 /nfs/dbraw/zinc/22/96/45/571229645.db2.gz TZDRFDIRPRFKNE-UHFFFAOYSA-N 1 0 366.530 4.007 50 0 FIAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000426584716 571232392 /nfs/dbraw/zinc/23/23/92/571232392.db2.gz OBQRGOUUIGMHIT-IBGZPJMESA-N 1 0 374.431 4.060 50 0 FIAARO c1ccc2c(c1)cccc2C1=NN2[C@H](C1)c1ccccc1OC21CC[NH2+]CC1 ZINC000004812513 571237864 /nfs/dbraw/zinc/23/78/64/571237864.db2.gz HZOPGDLJKXQZMH-JOCHJYFZSA-N 1 0 369.468 4.463 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095304 571240766 /nfs/dbraw/zinc/24/07/66/571240766.db2.gz UZBHGCUGTRSXCE-OAQYLSRUSA-N 1 0 371.521 4.292 50 0 FIAARO COc1cc(C[N@H+](CCC(C)C)C[C@H](O)c2ccccc2)cc(OC)c1 ZINC000036095128 571240886 /nfs/dbraw/zinc/24/08/86/571240886.db2.gz IBUZAXKWOIQVJE-QFIPXVFZSA-N 1 0 357.494 4.286 50 0 FIAARO CC(C)N1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)ccc1F)CC2 ZINC000091616987 571241243 /nfs/dbraw/zinc/24/12/43/571241243.db2.gz ZEFDDEBWVDAPOI-UHFFFAOYSA-N 1 0 352.881 4.092 50 0 FIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036096332 571241301 /nfs/dbraw/zinc/24/13/01/571241301.db2.gz WCTYRIWXTVPWDK-OAQYLSRUSA-N 1 0 359.485 4.252 50 0 FIAARO CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccccc1 ZINC000036099792 571241673 /nfs/dbraw/zinc/24/16/73/571241673.db2.gz UTMRYXLTUCZDLF-IBGZPJMESA-N 1 0 363.448 4.253 50 0 FIAARO Cc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036345527 571248614 /nfs/dbraw/zinc/24/86/14/571248614.db2.gz VSIZMQMJBGJNRM-QFIPXVFZSA-N 1 0 361.489 4.159 50 0 FIAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000006877592 571252218 /nfs/dbraw/zinc/25/22/18/571252218.db2.gz LRFUWSYSEYPSLL-UHFFFAOYSA-N 1 0 355.482 4.415 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(F)cc3)sc2c1 ZINC000006931568 571254999 /nfs/dbraw/zinc/25/49/99/571254999.db2.gz ZELOVNGYHYJWRJ-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CC(C)n1cc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)sc2c1 ZINC000065285481 571259993 /nfs/dbraw/zinc/25/99/93/571259993.db2.gz WXLUJEQZKCAURV-UHFFFAOYSA-N 1 0 359.539 4.374 50 0 FIAARO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000170071696 571261647 /nfs/dbraw/zinc/26/16/47/571261647.db2.gz XCJGTNIDYDSAEX-NSHDSACASA-N 1 0 366.328 4.157 50 0 FIAARO O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000170091579 571262350 /nfs/dbraw/zinc/26/23/50/571262350.db2.gz PASVLXBMPDSESM-IBGZPJMESA-N 1 0 371.481 4.223 50 0 FIAARO COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000007266980 571263589 /nfs/dbraw/zinc/26/35/89/571263589.db2.gz BUURVRGFKQVEOT-ZDUSSCGKSA-N 1 0 366.383 4.173 50 0 FIAARO Cc1ccccc1OCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447989 571265655 /nfs/dbraw/zinc/26/56/55/571265655.db2.gz GCBMYEZYBFXGQV-UHFFFAOYSA-N 1 0 366.505 4.066 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)CCCc1cccs1)C1CC1 ZINC000170599315 571266706 /nfs/dbraw/zinc/26/67/06/571266706.db2.gz WPBQMAZCCKCEEU-HXUWFJFHSA-N 1 0 356.535 4.098 50 0 FIAARO O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)Nc1ccccc1 ZINC000089845648 571273567 /nfs/dbraw/zinc/27/35/67/571273567.db2.gz SYYWHUFJPCWNMO-UHFFFAOYSA-N 1 0 357.457 4.352 50 0 FIAARO C[C@@H]1C[C@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000076021756 571273703 /nfs/dbraw/zinc/27/37/03/571273703.db2.gz UEEMZVARDQTTSH-UKRRQHHQSA-N 1 0 373.324 4.094 50 0 FIAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237500171 571277239 /nfs/dbraw/zinc/27/72/39/571277239.db2.gz FPQIPZWMZHSUMR-KOLCDFICSA-N 1 0 370.305 4.069 50 0 FIAARO Cc1nc(COc2ccc(C[NH2+][C@@H](C)Cc3ccc(C)cc3C)cc2)no1 ZINC000237546692 571277248 /nfs/dbraw/zinc/27/72/48/571277248.db2.gz SNPSLMRSHGKJOL-KRWDZBQOSA-N 1 0 365.477 4.295 50 0 FIAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000237961921 571277340 /nfs/dbraw/zinc/27/73/40/571277340.db2.gz JYPCGQILLUTIRJ-JOCHJYFZSA-N 1 0 351.421 4.228 50 0 FIAARO Cc1ccc2oc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)cc2n1 ZINC000252572009 571283712 /nfs/dbraw/zinc/28/37/12/571283712.db2.gz YTGXTTQBUZLSHY-INIZCTEOSA-N 1 0 363.461 4.092 50 0 FIAARO O=C(c1ccccc1)c1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000007744165 571287902 /nfs/dbraw/zinc/28/79/02/571287902.db2.gz TTZSDMJEPNVHFD-UHFFFAOYSA-N 1 0 353.239 4.016 50 0 FIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000037560846 571287998 /nfs/dbraw/zinc/28/79/98/571287998.db2.gz HDXOHFRCGIYQMO-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 ZINC000007872465 571290487 /nfs/dbraw/zinc/29/04/87/571290487.db2.gz AZVONPBQBXSBBD-QFIPXVFZSA-N 1 0 370.493 4.192 50 0 FIAARO C[NH+](C)CCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000166061286 571309373 /nfs/dbraw/zinc/30/93/73/571309373.db2.gz MBIWTVJKSOCVJZ-JFYQVNSESA-N 1 0 355.522 4.442 50 0 FIAARO CC[C@@H](c1ccccc1OC)N(C)c1ncnc2c1cnn2C(C)(C)C ZINC000253427112 571313096 /nfs/dbraw/zinc/31/30/96/571313096.db2.gz GGCJFYHROHHJDS-INIZCTEOSA-N 1 0 353.470 4.177 50 0 FIAARO CC[C@H]1CN(C(=O)c2ccc(-c3cccc(C(C)(C)C)c3)cc2)CC[NH2+]1 ZINC000584894166 571315073 /nfs/dbraw/zinc/31/50/73/571315073.db2.gz SBDRMQKYMGUBKN-NRFANRHFSA-N 1 0 350.506 4.475 50 0 FIAARO C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095466109 571330393 /nfs/dbraw/zinc/33/03/93/571330393.db2.gz JKSWQEKCGQVFMO-ZBFHGGJFSA-N 1 0 360.860 4.120 50 0 FIAARO Cc1nc(NC(=O)OC(C)(C)C)sc1-c1ccnc(C(C)(C)C[NH3+])c1 ZINC000095629723 571331662 /nfs/dbraw/zinc/33/16/62/571331662.db2.gz CAESQZXQAISLSH-UHFFFAOYSA-N 1 0 362.499 4.097 50 0 FIAARO C[C@@H](Nc1cccc(N2CCCC2=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096003540 571333842 /nfs/dbraw/zinc/33/38/42/571333842.db2.gz WANULFVADKJCOY-UYAOXDASSA-N 1 0 363.505 4.136 50 0 FIAARO O=C(Cc1cccc2ccccc21)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687085 571337863 /nfs/dbraw/zinc/33/78/63/571337863.db2.gz JPFCATXGIQOORL-HSZRJFAPSA-N 1 0 370.496 4.042 50 0 FIAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000299754431 571338476 /nfs/dbraw/zinc/33/84/76/571338476.db2.gz OAHKKQFVPNJZBZ-DENIHFKCSA-N 1 0 367.537 4.214 50 0 biogenic FIAARO C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764428 571341565 /nfs/dbraw/zinc/34/15/65/571341565.db2.gz NTLVWWYCZCZJBD-SFHVURJKSA-N 1 0 366.509 4.125 50 0 FIAARO CC(C)CC[N@H+](C)C1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000002913143 571341677 /nfs/dbraw/zinc/34/16/77/571341677.db2.gz BBAHESBJEAGPLQ-UHFFFAOYSA-N 1 0 353.963 4.479 50 0 FIAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000057315386 571342592 /nfs/dbraw/zinc/34/25/92/571342592.db2.gz MAJFOSPBNFAXQM-GUDVDZBRSA-N 1 0 350.506 4.259 50 0 FIAARO C[C@@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003047159 571344078 /nfs/dbraw/zinc/34/40/78/571344078.db2.gz BYELRHWLOBPYFH-LBPRGKRZSA-N 1 0 369.893 4.394 50 0 FIAARO C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211451 571345554 /nfs/dbraw/zinc/34/55/54/571345554.db2.gz LDSSHFVKURPSKD-YOEHRIQHSA-N 1 0 351.585 4.070 50 0 FIAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH2+]CC(C)C ZINC000003292404 571346785 /nfs/dbraw/zinc/34/67/85/571346785.db2.gz SGHTZIOPEJPKSP-AWEZNQCLSA-N 1 0 374.506 4.164 50 0 FIAARO Cc1ccc(NC(=S)NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000003589083 571351398 /nfs/dbraw/zinc/35/13/98/571351398.db2.gz LLJBGGAIUMJLND-QZTJIDSGSA-N 1 0 353.535 4.365 50 0 FIAARO Cc1ccc(N2CCC([N@H+](C)Cc3cc(-c4ccccn4)no3)CC2)cc1 ZINC000670451186 571352458 /nfs/dbraw/zinc/35/24/58/571352458.db2.gz TXMLVSGBGSCLTL-UHFFFAOYSA-N 1 0 362.477 4.146 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000031987242 571354845 /nfs/dbraw/zinc/35/48/45/571354845.db2.gz SUWOVEMSCLELTJ-INIZCTEOSA-N 1 0 354.878 4.354 50 0 FIAARO CCOc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 ZINC000004086845 571354999 /nfs/dbraw/zinc/35/49/99/571354999.db2.gz ROTLASSNVMOCHX-HSZRJFAPSA-N 1 0 365.497 4.044 50 0 FIAARO CCOc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 ZINC000004086846 571355022 /nfs/dbraw/zinc/35/50/22/571355022.db2.gz ROTLASSNVMOCHX-QHCPKHFHSA-N 1 0 365.497 4.044 50 0 FIAARO Cc1cc(C)c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](c4ccccc4)C3)cc2n1 ZINC000670460713 571356922 /nfs/dbraw/zinc/35/69/22/571356922.db2.gz ADVUCEXVAJYRFD-OAQYLSRUSA-N 1 0 373.500 4.071 50 0 FIAARO COc1ccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)ccc2c1 ZINC000008039921 571358622 /nfs/dbraw/zinc/35/86/22/571358622.db2.gz PZDKFVOFPGYELB-UHFFFAOYSA-N 1 0 374.484 4.374 50 0 FIAARO O=C(Cc1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C[C@@H]2CC=CCC2)C1 ZINC000011911316 1125516761 /nfs/dbraw/zinc/51/67/61/1125516761.db2.gz LHNNIPBKWUGYLW-UZKOGDIHSA-N 1 0 370.512 4.037 50 0 FIAARO Cc1ncsc1C[NH+]1CCC2(CC1)C(=O)N(C(C)C)[C@H]2c1ccccc1 ZINC000581801111 1084614257 /nfs/dbraw/zinc/61/42/57/1084614257.db2.gz WRMYGTWIAUELMJ-IBGZPJMESA-N 1 0 369.534 4.026 50 0 FIAARO CCn1ncc(C[NH+]2CCC3(CC2)C[C@H](Cc2ccccc2)CCO3)c1C ZINC000581818478 1084631984 /nfs/dbraw/zinc/63/19/84/1084631984.db2.gz NQEHROZQGGRCGD-NRFANRHFSA-N 1 0 367.537 4.215 50 0 FIAARO Cc1ccc2nc(N3CCC([NH2+]CCc4cccs4)CC3)nc(C)c2c1 ZINC000023145602 1086055957 /nfs/dbraw/zinc/05/59/57/1086055957.db2.gz HPMMDMDLNXGERI-UHFFFAOYSA-N 1 0 366.534 4.109 50 0 FIAARO CC[C@H]([NH2+]Cc1nnc([C@@H]2CCCOC2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000888093750 1086755650 /nfs/dbraw/zinc/75/56/50/1086755650.db2.gz QRRHCKAXERXYCP-JCNKGUOZSA-N 1 0 359.514 4.048 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(C)n1 ZINC000019745058 1089571202 /nfs/dbraw/zinc/57/12/02/1089571202.db2.gz SPJCUIMWLFZYAI-QGZVFWFLSA-N 1 0 367.472 4.120 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c(C)n1 ZINC000019745059 1089572000 /nfs/dbraw/zinc/57/20/00/1089572000.db2.gz SPJCUIMWLFZYAI-KRWDZBQOSA-N 1 0 367.472 4.120 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)CC2)CC1 ZINC000257194359 1090331759 /nfs/dbraw/zinc/33/17/59/1090331759.db2.gz TXKNHOWAFIDSSS-HXUWFJFHSA-N 1 0 354.538 4.079 50 0 FIAARO CCCNC(=O)N1CCC2(CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257194459 1090332091 /nfs/dbraw/zinc/33/20/91/1090332091.db2.gz UCFTZLMBZRKOHX-UHFFFAOYSA-N 1 0 369.553 4.189 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCC[C@@H]1CCc1noc(-c2ccccc2)n1 ZINC000675020738 1090903233 /nfs/dbraw/zinc/90/32/33/1090903233.db2.gz TZSQKANLTYTWNN-MRXNPFEDSA-N 1 0 354.479 4.099 50 0 FIAARO Fc1ccc(-c2nc(CC[C@@H]3CCC[N@H+](Cc4cccnc4)C3)no2)cc1 ZINC000675025096 1090913570 /nfs/dbraw/zinc/91/35/70/1090913570.db2.gz PWHRARVGUCNROL-INIZCTEOSA-N 1 0 366.440 4.116 50 0 FIAARO CC(C)[NH2+]C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000299872780 1091720193 /nfs/dbraw/zinc/72/01/93/1091720193.db2.gz IQRCLEWQOBTXNV-LAMQLUQQSA-N 1 0 363.586 4.119 50 0 FIAARO O=C(CC[N@H+](CC1CCC1)C[C@H]1CCCO1)Nc1ccc(F)c(Cl)c1 ZINC000252493412 1093612198 /nfs/dbraw/zinc/61/21/98/1093612198.db2.gz NBOZTUFMVBYKGE-MRXNPFEDSA-N 1 0 368.880 4.089 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C(C)C)cc1 ZINC000005825128 1094282544 /nfs/dbraw/zinc/28/25/44/1094282544.db2.gz ACFMQNZEFSOBOS-DENIHFKCSA-N 1 0 369.505 4.395 50 0 FIAARO CC1CCN(C(=O)c2ccccc2OC[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000169765017 1115681833 /nfs/dbraw/zinc/68/18/33/1115681833.db2.gz BBVXJCCIFVMGCZ-IBGZPJMESA-N 1 0 370.537 4.202 50 0 FIAARO CC[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)c1ccc2c(c1)OCCO2 ZINC000180613373 1124378909 /nfs/dbraw/zinc/37/89/09/1124378909.db2.gz YFBXBHIMCWZSEY-AWEZNQCLSA-N 1 0 373.403 4.444 50 0 FIAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227105 /nfs/dbraw/zinc/22/71/05/1125227105.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 1 0 368.521 4.189 50 0 FIAARO O[C@@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1cccc(Cl)c1 ZINC000000622941 210251723 /nfs/dbraw/zinc/25/17/23/210251723.db2.gz MXWQREAOCREZQI-HXUWFJFHSA-N 1 0 359.852 4.129 50 0 FIAARO CC(C)[C@H]1C[C@](CC[NH2+]C2CCN(C)CC2)(Cc2ccccc2)CCO1 ZINC000009047119 210249555 /nfs/dbraw/zinc/24/95/55/210249555.db2.gz FVOUTONKTROUNU-PKTZIBPZSA-N 1 0 358.570 4.124 50 0 FIAARO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000253412451 210215040 /nfs/dbraw/zinc/21/50/40/210215040.db2.gz RASUIWFLIAJZBN-ZWKOTPCHSA-N 1 0 369.534 4.113 50 0 biogenic FIAARO CSc1ccc2c(c1)CCN(C(=O)c1cccc([C@@H]3CCC[NH2+]C3)c1)C2 ZINC000216473078 222667115 /nfs/dbraw/zinc/66/71/15/222667115.db2.gz CQSNOGLROCATAA-LJQANCHMSA-N 1 0 366.530 4.074 50 0 FIAARO CC(C)n1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343578 210096281 /nfs/dbraw/zinc/09/62/81/210096281.db2.gz DYZYWLXCIRNQDI-YLJYHZDGSA-N 1 0 353.510 4.217 50 0 FIAARO Cc1ccccc1SCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299794142 210035630 /nfs/dbraw/zinc/03/56/30/210035630.db2.gz JVJZIKRDGZXKON-HXUWFJFHSA-N 1 0 368.546 4.431 50 0 FIAARO CC(C)c1cc(CN(C)C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)on1 ZINC000299791960 210032811 /nfs/dbraw/zinc/03/28/11/210032811.db2.gz DMOAKWJTHBBCJX-OAHLLOKOSA-N 1 0 359.470 4.210 50 0 FIAARO CCc1nc(C)c(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000299792663 210032918 /nfs/dbraw/zinc/03/29/18/210032918.db2.gz FZCQAHJSGZOQMB-UHFFFAOYSA-N 1 0 371.550 4.320 50 0 FIAARO CSc1ccccc1-c1cccc(C(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000299787190 210029371 /nfs/dbraw/zinc/02/93/71/210029371.db2.gz TYPPQXNLEHXFAL-UHFFFAOYSA-N 1 0 354.519 4.243 50 0 FIAARO CSc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000299782282 210025749 /nfs/dbraw/zinc/02/57/49/210025749.db2.gz GZIUAOAQXPBYQV-KRWDZBQOSA-N 1 0 369.534 4.361 50 0 FIAARO CSc1ccc(-c2cccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2)cc1 ZINC000299777115 210023576 /nfs/dbraw/zinc/02/35/76/210023576.db2.gz IXQYMDGVVLDSQD-VQTJNVASSA-N 1 0 366.530 4.384 50 0 FIAARO CCc1nc(C)c(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)s1 ZINC000299772608 210019544 /nfs/dbraw/zinc/01/95/44/210019544.db2.gz ACALPOMSDRZNMB-AWEZNQCLSA-N 1 0 361.511 4.084 50 0 FIAARO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000299759233 210010616 /nfs/dbraw/zinc/01/06/16/210010616.db2.gz CRZDWJOEEQJOOG-LJQANCHMSA-N 1 0 362.452 4.366 50 0 FIAARO CCC[N@H+](Cc1cc(F)cc2c1OCOC2)[C@H]1CCc2ccccc2C1 ZINC000064632570 212041888 /nfs/dbraw/zinc/04/18/88/212041888.db2.gz UZGQJIWFMADQEH-NRFANRHFSA-N 1 0 355.453 4.462 50 0 FIAARO Cc1nccn1-c1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000063884094 212035469 /nfs/dbraw/zinc/03/54/69/212035469.db2.gz TUSACAUZQHTHQS-UHFFFAOYSA-N 1 0 352.526 4.462 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cnc2ccccc2c1 ZINC000062580020 212029050 /nfs/dbraw/zinc/02/90/50/212029050.db2.gz DCRVUESDTYDUHZ-NRFANRHFSA-N 1 0 360.461 4.193 50 0 FIAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000012716774 220021112 /nfs/dbraw/zinc/02/11/12/220021112.db2.gz CZEVABOVEHRQLE-NRFANRHFSA-N 1 0 368.452 4.075 50 0 FIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012716038 220021767 /nfs/dbraw/zinc/02/17/67/220021767.db2.gz XTIURKARZQPRJR-INIZCTEOSA-N 1 0 359.853 4.149 50 0 FIAARO CCOc1cc(F)ccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058407482 212009507 /nfs/dbraw/zinc/00/95/07/212009507.db2.gz WNMPTFIDFCFOQS-UHFFFAOYSA-N 1 0 363.477 4.001 50 0 FIAARO Cc1cccnc1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000058266589 212001935 /nfs/dbraw/zinc/00/19/35/212001935.db2.gz SZLVRODMVHYGAC-UHFFFAOYSA-N 1 0 352.482 4.088 50 0 FIAARO CC(C)[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320479 220064079 /nfs/dbraw/zinc/06/40/79/220064079.db2.gz ZJISLQFQOAFSGZ-UHFFFAOYSA-N 1 0 363.811 4.353 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000014076885 220104283 /nfs/dbraw/zinc/10/42/83/220104283.db2.gz JLTMERBISIFQFG-UHFFFAOYSA-N 1 0 352.522 4.115 50 0 FIAARO CC(C)C[NH+]1CCC(NC(=O)N(C)Cc2cccc3ccccc32)CC1 ZINC000045462393 211817806 /nfs/dbraw/zinc/81/78/06/211817806.db2.gz BZBXGEJVJXCWOO-UHFFFAOYSA-N 1 0 353.510 4.102 50 0 FIAARO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043495650 211791534 /nfs/dbraw/zinc/79/15/34/211791534.db2.gz RDZQBKZGLKOIAF-IBGZPJMESA-N 1 0 372.538 4.081 50 0 FIAARO Cc1cccc(COc2ccccc2C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000022989616 211373885 /nfs/dbraw/zinc/37/38/85/211373885.db2.gz IAEKFTGVFFVKLG-UHFFFAOYSA-N 1 0 366.505 4.177 50 0 FIAARO Clc1ccc(CN2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000022834502 211364757 /nfs/dbraw/zinc/36/47/57/211364757.db2.gz KQCGTRCIJRAKLX-UHFFFAOYSA-N 1 0 351.881 4.206 50 0 FIAARO CN(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022075074 211336566 /nfs/dbraw/zinc/33/65/66/211336566.db2.gz HRAVFNHYAZGLDV-UHFFFAOYSA-N 1 0 353.293 4.224 50 0 FIAARO Fc1ccccc1C[NH+]1CCC(CNc2nc(-c3ccccc3)no2)CC1 ZINC000021629860 211318492 /nfs/dbraw/zinc/31/84/92/211318492.db2.gz FDJUZBVPRKJUOC-UHFFFAOYSA-N 1 0 366.440 4.200 50 0 FIAARO Fc1ccc(-c2nnc3sc(C[N@@H+]4CCc5ccccc5C4)cn32)cc1 ZINC000021348536 211312706 /nfs/dbraw/zinc/31/27/06/211312706.db2.gz BYFLLDRJLPLQMI-UHFFFAOYSA-N 1 0 364.449 4.155 50 0 FIAARO CCc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021718201 211323061 /nfs/dbraw/zinc/32/30/61/211323061.db2.gz BADZPANXWREVJT-QZTJIDSGSA-N 1 0 357.542 4.471 50 0 FIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cn(C)c2ccc(OC)cc12 ZINC000021720735 211322960 /nfs/dbraw/zinc/32/29/60/211322960.db2.gz FLXRLNHRDLFGRN-IBGZPJMESA-N 1 0 353.466 4.383 50 0 FIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1 ZINC000021718249 211322634 /nfs/dbraw/zinc/32/26/34/211322634.db2.gz NLPCBJRYXSCGJL-GASCZTMLSA-N 1 0 365.468 4.187 50 0 FIAARO CCc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718123 211322426 /nfs/dbraw/zinc/32/24/26/211322426.db2.gz BVTFHAOORXQYOQ-HDICACEKSA-N 1 0 357.542 4.471 50 0 FIAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)c1 ZINC000020477285 211281943 /nfs/dbraw/zinc/28/19/43/211281943.db2.gz WBKAUTAUQCQLPS-QGZVFWFLSA-N 1 0 351.277 4.437 50 0 FIAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)c1 ZINC000020477288 211281346 /nfs/dbraw/zinc/28/13/46/211281346.db2.gz WBKAUTAUQCQLPS-KRWDZBQOSA-N 1 0 351.277 4.437 50 0 FIAARO CCCC[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440530 211278545 /nfs/dbraw/zinc/27/85/45/211278545.db2.gz LEFOMAHNBPZNFB-GOTSBHOMSA-N 1 0 353.506 4.180 50 0 FIAARO COc1ccc(Br)cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000019721076 211251485 /nfs/dbraw/zinc/25/14/85/211251485.db2.gz ZTSHUIKUXBMWIU-UHFFFAOYSA-N 1 0 354.675 4.443 50 0 FIAARO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000019834655 211257530 /nfs/dbraw/zinc/25/75/30/211257530.db2.gz QCVZMJCLXHNXEV-DEOSSOPVSA-N 1 0 372.512 4.127 50 0 FIAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019359357 211218374 /nfs/dbraw/zinc/21/83/74/211218374.db2.gz DVNZVVAWQQXDPS-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO C[C@@H]([NH2+]CC(=O)NCCc1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000016695370 211166624 /nfs/dbraw/zinc/16/66/24/211166624.db2.gz ASVBGBYCSOXMBK-QGZVFWFLSA-N 1 0 364.514 4.425 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C(C)=O)c(OC)c1 ZINC000015366983 211128750 /nfs/dbraw/zinc/12/87/50/211128750.db2.gz FYXZWYWDGSXVLA-FQEVSTJZSA-N 1 0 369.461 4.122 50 0 FIAARO CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015078370 211121590 /nfs/dbraw/zinc/12/15/90/211121590.db2.gz UDAMIFJLPKYUGU-HXUWFJFHSA-N 1 0 362.473 4.212 50 0 FIAARO C/C=C(\C)C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 ZINC000015062880 211117955 /nfs/dbraw/zinc/11/79/55/211117955.db2.gz SYEROZIPHUJNOK-IJUHEHPCSA-N 1 0 365.477 4.491 50 0 FIAARO CC[N@H+](CCCSC)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000014975391 211110688 /nfs/dbraw/zinc/11/06/88/211110688.db2.gz PXEJZEOULCMKPH-LJQANCHMSA-N 1 0 352.563 4.155 50 0 FIAARO Cc1ccoc1C(=O)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000014950484 211107344 /nfs/dbraw/zinc/10/73/44/211107344.db2.gz FEPQCRKOAPSEOQ-OAQYLSRUSA-N 1 0 366.505 4.005 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[N@@H+](C)[C@@H]3CCOC3)c(-c3ccccc3)n2)c1 ZINC000014950012 211106723 /nfs/dbraw/zinc/10/67/23/211106723.db2.gz LMUVSZGMTJFOMA-OAQYLSRUSA-N 1 0 361.489 4.377 50 0 FIAARO Cc1ccc(C(=O)N(Cc2ccc(OCCC[NH+](C)C)cc2)C2CC2)cc1 ZINC000014957989 211106048 /nfs/dbraw/zinc/10/60/48/211106048.db2.gz IFOLHFRTTSQLCA-UHFFFAOYSA-N 1 0 366.505 4.130 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000013363917 211031007 /nfs/dbraw/zinc/03/10/07/211031007.db2.gz MWHPILLRDUQZBS-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccccc2)CC1 ZINC000013019090 211020599 /nfs/dbraw/zinc/02/05/99/211020599.db2.gz FOACXPGVKWKXFI-GOSISDBHSA-N 1 0 366.505 4.367 50 0 FIAARO Cc1c2cc(F)ccc2oc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013013396 211019941 /nfs/dbraw/zinc/01/99/41/211019941.db2.gz RYLQPLJTNFMYCE-UHFFFAOYSA-N 1 0 366.436 4.275 50 0 FIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000012973543 211014106 /nfs/dbraw/zinc/01/41/06/211014106.db2.gz XWGHQFDZTZIJDB-SFHVURJKSA-N 1 0 361.848 4.438 50 0 FIAARO Cc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cs2)cc1 ZINC000012889050 211003968 /nfs/dbraw/zinc/00/39/68/211003968.db2.gz AYEGMQUYZCLNCG-IBGZPJMESA-N 1 0 365.502 4.151 50 0 FIAARO Cc1ccccc1[C@@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000012455042 210959327 /nfs/dbraw/zinc/95/93/27/210959327.db2.gz UXSNXNJWTQUMKV-QFIPXVFZSA-N 1 0 350.506 4.070 50 0 FIAARO O=C(c1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1)N1CCCC1 ZINC000012314734 210940045 /nfs/dbraw/zinc/94/00/45/210940045.db2.gz NEYSATNXYSMLSD-IBGZPJMESA-N 1 0 368.521 4.122 50 0 FIAARO COC[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000008728532 210799815 /nfs/dbraw/zinc/79/98/15/210799815.db2.gz CALGQOIQNXJWGS-OAHLLOKOSA-N 1 0 369.440 4.237 50 0 FIAARO CCOc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000006877197 210712100 /nfs/dbraw/zinc/71/21/00/210712100.db2.gz QLONHLPNCDIHAR-UHFFFAOYSA-N 1 0 359.514 4.061 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000004744980 210560291 /nfs/dbraw/zinc/56/02/91/210560291.db2.gz ODKJLLMWPQUVSQ-QFIPXVFZSA-N 1 0 350.506 4.120 50 0 FIAARO COc1cccc(CNc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 ZINC000004625752 210545296 /nfs/dbraw/zinc/54/52/96/210545296.db2.gz KGGVNNCKCNPQAN-UHFFFAOYSA-N 1 0 364.493 4.180 50 0 FIAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864459 210494979 /nfs/dbraw/zinc/49/49/79/210494979.db2.gz KQKVDCCZURCHDA-ZTLYHTANSA-N 1 0 357.538 4.282 50 0 FIAARO CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC[NH+](C)C)cc21 ZINC000002479340 210401645 /nfs/dbraw/zinc/40/16/45/210401645.db2.gz FNYAPDXDSVIDFZ-UHFFFAOYSA-N 1 0 366.461 4.056 50 0 FIAARO CC[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccccc2Br)c1 ZINC000002332160 210391623 /nfs/dbraw/zinc/39/16/23/210391623.db2.gz MVNOLAJGICWLSV-SFHVURJKSA-N 1 0 374.302 4.124 50 0 FIAARO CCCc1nc2sc3c(ncnc3NCCC[NH+](C)C)c2c2c1CCC2 ZINC000002432484 210397645 /nfs/dbraw/zinc/39/76/45/210397645.db2.gz GLQJZTLWLYNIDX-UHFFFAOYSA-N 1 0 369.538 4.044 50 0 FIAARO C[NH+](C)Cc1ccc(CSCCNC(=O)Nc2ccc(Cl)cc2)o1 ZINC000002163269 210381867 /nfs/dbraw/zinc/38/18/67/210381867.db2.gz RKMXFEYXRBRENH-UHFFFAOYSA-N 1 0 367.902 4.050 50 0 FIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000010328078 210352479 /nfs/dbraw/zinc/35/24/79/210352479.db2.gz UWNQPVIODPTADZ-FQEVSTJZSA-N 1 0 362.473 4.271 50 0 FIAARO C[N@H+](CCOC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000001299881 210340433 /nfs/dbraw/zinc/34/04/33/210340433.db2.gz DSOUSOIWVJUZNP-UHFFFAOYSA-N 1 0 359.469 4.494 50 0 FIAARO CCOc1ccc(CNc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000001235404 210338436 /nfs/dbraw/zinc/33/84/36/210338436.db2.gz YSEALEMUCUQFLV-UHFFFAOYSA-N 1 0 366.509 4.389 50 0 FIAARO O=C1CS[C@H](c2ccc(Cl)c(Cl)c2)N1CC[NH+]1CCCCC1 ZINC000001219067 210336357 /nfs/dbraw/zinc/33/63/57/210336357.db2.gz JNPVXZSQSIWSFV-MRXNPFEDSA-N 1 0 359.322 4.053 50 0 FIAARO CCOc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000001179497 210330670 /nfs/dbraw/zinc/33/06/70/210330670.db2.gz RHVJFBPQOVJGII-GOSISDBHSA-N 1 0 366.505 4.175 50 0 FIAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000001195369 210333361 /nfs/dbraw/zinc/33/33/61/210333361.db2.gz ACNLGPOKXXZHIW-OAHLLOKOSA-N 1 0 357.885 4.059 50 0 FIAARO COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 ZINC000001100616 210317094 /nfs/dbraw/zinc/31/70/94/210317094.db2.gz OCEGFNSAIJCZQL-UHFFFAOYSA-N 1 0 370.270 4.149 50 0 FIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000001016844 210301297 /nfs/dbraw/zinc/30/12/97/210301297.db2.gz KSRBQPSDKBLUCK-JOCHJYFZSA-N 1 0 361.489 4.077 50 0 FIAARO CCOC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000000757913 210269107 /nfs/dbraw/zinc/26/91/07/210269107.db2.gz SHBQBJCROSLCCC-NRFANRHFSA-N 1 0 352.478 4.181 50 0 FIAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000798385 210271973 /nfs/dbraw/zinc/27/19/73/210271973.db2.gz KGJHGZULQDUHQM-NSHDSACASA-N 1 0 373.324 4.186 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000022787347 220398449 /nfs/dbraw/zinc/39/84/49/220398449.db2.gz GJYRYMYEXGTHPJ-LJQANCHMSA-N 1 0 366.534 4.175 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 ZINC000048341583 221008857 /nfs/dbraw/zinc/00/88/57/221008857.db2.gz JMXFLRGCLQSYLY-ROUUACIJSA-N 1 0 354.494 4.007 50 0 FIAARO COc1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000058029785 221097728 /nfs/dbraw/zinc/09/77/28/221097728.db2.gz AWOVTPKTDHJBHM-UHFFFAOYSA-N 1 0 374.912 4.111 50 0 FIAARO CC1CCN(c2ccc(-c3noc(C[N@H+](C)C4CCCCC4)n3)cn2)CC1 ZINC000065216124 221181465 /nfs/dbraw/zinc/18/14/65/221181465.db2.gz LCLLQQHAHNYFOV-UHFFFAOYSA-N 1 0 369.513 4.132 50 0 FIAARO c1cc2nsnc2c(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)c1 ZINC000065490331 221226284 /nfs/dbraw/zinc/22/62/84/221226284.db2.gz QLBOCNGQWRTADK-KRWDZBQOSA-N 1 0 373.485 4.138 50 0 FIAARO OCc1ccc(-c2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)ccn2)cc1 ZINC000065498575 221227532 /nfs/dbraw/zinc/22/75/32/221227532.db2.gz UZVHULSVIKPAFK-QHCPKHFHSA-N 1 0 358.485 4.273 50 0 FIAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CC[C@@H]1CCOC1)C2 ZINC000067446716 221254287 /nfs/dbraw/zinc/25/42/87/221254287.db2.gz SMIRMQSMQYALGT-OAHLLOKOSA-N 1 0 373.880 4.334 50 0 FIAARO CCc1cc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)ccc1NC(C)=O ZINC000067726179 221277344 /nfs/dbraw/zinc/27/73/44/221277344.db2.gz XKFFVPRBVORNAA-INIZCTEOSA-N 1 0 352.478 4.268 50 0 FIAARO Cc1cc2c(c(-c3ccnc4c3cccc4C(F)(F)F)c1)O[C@H](C[NH3+])C2 ZINC000067691360 221272761 /nfs/dbraw/zinc/27/27/61/221272761.db2.gz PLLXOERCMZJNLH-ZDUSSCGKSA-N 1 0 358.363 4.491 50 0 FIAARO CCOc1ccccc1-c1nc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000067713618 221274939 /nfs/dbraw/zinc/27/49/39/221274939.db2.gz JVDZIMWWLJZSNV-MRXNPFEDSA-N 1 0 369.509 4.107 50 0 FIAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC000067769797 221283290 /nfs/dbraw/zinc/28/32/90/221283290.db2.gz KWBORWJHLBUXCN-FQEVSTJZSA-N 1 0 366.505 4.046 50 0 FIAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067934275 221305069 /nfs/dbraw/zinc/30/50/69/221305069.db2.gz SBSNVBPMEVKDRQ-UHFFFAOYSA-N 1 0 372.472 4.436 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071762758 221368963 /nfs/dbraw/zinc/36/89/63/221368963.db2.gz UAWRJINHGOQMNJ-OAHLLOKOSA-N 1 0 360.452 4.031 50 0 FIAARO CC(C)[C@@H]1C[N@H+](Cc2cccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071774635 221373836 /nfs/dbraw/zinc/37/38/36/221373836.db2.gz HOPWDGQNZXFOLW-IBGZPJMESA-N 1 0 360.498 4.146 50 0 FIAARO O[C@@H](c1ccccc1)C1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000071817098 221379273 /nfs/dbraw/zinc/37/92/73/221379273.db2.gz TWZBRVBUBVEFEJ-QFIPXVFZSA-N 1 0 350.462 4.206 50 0 FIAARO Fc1cccc(-c2cccc(N3CCC([NH2+][C@H]4CCCOC4)CC3)c2)c1 ZINC000019812409 132267401 /nfs/dbraw/zinc/26/74/01/132267401.db2.gz BWOZKXYOBKZRMY-NRFANRHFSA-N 1 0 354.469 4.230 50 0 FIAARO Cc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000033128949 136117502 /nfs/dbraw/zinc/11/75/02/136117502.db2.gz YRSGXSUESZPKIL-UHFFFAOYSA-N 1 0 374.282 4.008 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH+]4CCCCCC4)CC3)c2)n1 ZINC000063844275 136132988 /nfs/dbraw/zinc/13/29/88/136132988.db2.gz LXDNGAZTNYUQRQ-UHFFFAOYSA-N 1 0 350.510 4.297 50 0 FIAARO CC(=O)c1ccc(NC(=O)c2[nH]c3cc(C)sc3c2C[NH+](C)C)cc1 ZINC000075487818 221582628 /nfs/dbraw/zinc/58/26/28/221582628.db2.gz WJSNSYQCNFBSIF-UHFFFAOYSA-N 1 0 355.463 4.054 50 0 FIAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)CC1 ZINC000095357886 221858724 /nfs/dbraw/zinc/85/87/24/221858724.db2.gz LSAQSCBALDHVSX-HSZRJFAPSA-N 1 0 365.521 4.026 50 0 FIAARO Cc1ncc(C[NH+](C)C)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116491 222031692 /nfs/dbraw/zinc/03/16/92/222031692.db2.gz KGRGUQADXGBHCV-UHFFFAOYSA-N 1 0 374.440 4.460 50 0 biogenic FIAARO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc(F)cc1 ZINC000096003583 221988567 /nfs/dbraw/zinc/98/85/67/221988567.db2.gz RVPDFAUNTVWFSN-VQIMIIECSA-N 1 0 373.468 4.006 50 0 FIAARO CC[NH+](CC)Cc1cc(-c2nc([C@@H]3CCOC3)no2)c(-c2ccccc2)o1 ZINC000096148273 222050836 /nfs/dbraw/zinc/05/08/36/222050836.db2.gz MGBVYYNPXNQFHL-MRXNPFEDSA-N 1 0 367.449 4.342 50 0 FIAARO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC[NH+](CC2CCCC2)CC1 ZINC000097213033 222168728 /nfs/dbraw/zinc/16/87/28/222168728.db2.gz AVMOCFSLMZOZNW-UHFFFAOYSA-N 1 0 364.489 4.007 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2cccc(O)c2)CC1 ZINC000097370421 222177458 /nfs/dbraw/zinc/17/74/58/222177458.db2.gz RMFDFOXIWNVUJK-UHFFFAOYSA-N 1 0 364.489 4.008 50 0 FIAARO CN(C)[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000097465753 222181922 /nfs/dbraw/zinc/18/19/22/222181922.db2.gz BZGZQXANSVORRV-SFHVURJKSA-N 1 0 370.390 4.159 50 0 FIAARO c1ccc(CSc2ncc(C[N@@H+]3CCCC4(CCOCC4)C3)cn2)cc1 ZINC000097618884 222200350 /nfs/dbraw/zinc/20/03/50/222200350.db2.gz KNKIDCYRDPCADO-UHFFFAOYSA-N 1 0 369.534 4.162 50 0 FIAARO Cc1nccc(C2CC[NH+](Cc3ccccc3OC3CCCC3)CC2)n1 ZINC000097729534 222206802 /nfs/dbraw/zinc/20/68/02/222206802.db2.gz NKXCPPVWIDVBNI-UHFFFAOYSA-N 1 0 351.494 4.486 50 0 FIAARO C[C@@H](c1ccc(C(=O)NCc2ccc3[nH]ccc3c2)o1)[NH+]1CCCCC1 ZINC000097785484 222212631 /nfs/dbraw/zinc/21/26/31/222212631.db2.gz PBUAQFRSZZMGQE-HNNXBMFYSA-N 1 0 351.450 4.238 50 0 FIAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1 ZINC000091603412 519438125 /nfs/dbraw/zinc/43/81/25/519438125.db2.gz YTFGFTHTKGACDW-RBBKRZOGSA-N 1 0 369.578 4.438 50 0 FIAARO CC(C)c1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1 ZINC000000628354 519833863 /nfs/dbraw/zinc/83/38/63/519833863.db2.gz JVCNICMRHFNHMP-UHFFFAOYSA-N 1 0 352.507 4.234 50 0 FIAARO CCOc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019872007 520726727 /nfs/dbraw/zinc/72/67/27/520726727.db2.gz GPNXIOHGRPOPIQ-IFXJQAMLSA-N 1 0 363.885 4.349 50 0 FIAARO CCCCOc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(C)c1 ZINC000239807516 520886483 /nfs/dbraw/zinc/88/64/83/520886483.db2.gz CSPXWZBTQINIID-XLIONFOSSA-N 1 0 361.530 4.368 50 0 FIAARO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452399 524191864 /nfs/dbraw/zinc/19/18/64/524191864.db2.gz GPIBGGQWYNAGIK-YWZLYKJASA-N 1 0 367.518 4.114 50 0 FIAARO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452573 524276339 /nfs/dbraw/zinc/27/63/39/524276339.db2.gz PNHJCPQDOKJMHE-LIRRHRJNSA-N 1 0 351.475 4.460 50 0 FIAARO Cc1ccc(CN(Cc2ccccn2)C(=O)CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000091493915 524420474 /nfs/dbraw/zinc/42/04/74/524420474.db2.gz NHEXIWJTIKTJIO-GOSISDBHSA-N 1 0 371.550 4.102 50 0 FIAARO C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[NH+]1CCCC1 ZINC000080345742 524459705 /nfs/dbraw/zinc/45/97/05/524459705.db2.gz RXJCZBOXWNCBCK-GFCCVEGCSA-N 1 0 367.276 4.468 50 0 FIAARO Cc1ccsc1[C@@H](CNC(=O)c1cc(C)nc2c(C)cccc12)[NH+](C)C ZINC000082127533 525871486 /nfs/dbraw/zinc/87/14/86/525871486.db2.gz HGRYMLHBRNWJBS-GOSISDBHSA-N 1 0 367.518 4.254 50 0 FIAARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3[nH]c4ccccc4c3C)C2)c1 ZINC000020996267 525939308 /nfs/dbraw/zinc/93/93/08/525939308.db2.gz RCWZHBZHCLPGJH-LJQANCHMSA-N 1 0 363.505 4.239 50 0 FIAARO Cc1oc(-c2cccc3ccccc32)nc1CN1CC[NH+](CC2CC2)CC1 ZINC000020166575 526735362 /nfs/dbraw/zinc/73/53/62/526735362.db2.gz QTRGCPBIVRIWIQ-UHFFFAOYSA-N 1 0 361.489 4.331 50 0 FIAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3F)C2)cc1 ZINC000091621096 527633262 /nfs/dbraw/zinc/63/32/62/527633262.db2.gz GFYVBFJQGCHWCK-INIZCTEOSA-N 1 0 367.386 4.401 50 0 FIAARO CCN1CC[NH+](C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)CC1 ZINC000023337492 535648181 /nfs/dbraw/zinc/64/81/81/535648181.db2.gz USNPNCQOEFNSPM-UHFFFAOYSA-N 1 0 367.512 4.099 50 0 FIAARO CCc1cc2c(nc(-c3ccccc3)nc2N2CC[NH+](CC)CC2)s1 ZINC000041090387 536158460 /nfs/dbraw/zinc/15/84/60/536158460.db2.gz HANUTOFPJKPBOD-UHFFFAOYSA-N 1 0 352.507 4.063 50 0 FIAARO c1ccc(COc2cccc(C[NH+]3CCC4(CCOCC4)CC3)c2)nc1 ZINC000215341214 568064845 /nfs/dbraw/zinc/06/48/45/568064845.db2.gz QIHRGCARVCYSPL-UHFFFAOYSA-N 1 0 352.478 4.053 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cccn1C1CC1 ZINC000216269664 568115718 /nfs/dbraw/zinc/11/57/18/568115718.db2.gz ZTAJKUCLRIQANS-NRFANRHFSA-N 1 0 351.494 4.170 50 0 FIAARO O=C(CCc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008328393 568300484 /nfs/dbraw/zinc/30/04/84/568300484.db2.gz PGRUAXKZBROKGR-UHFFFAOYSA-N 1 0 361.489 4.013 50 0 FIAARO Brc1csc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000023257939 568392237 /nfs/dbraw/zinc/39/22/37/568392237.db2.gz CSDJFRMYZSIYRR-AWEZNQCLSA-N 1 0 355.301 4.030 50 0 FIAARO Fc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000023279978 568393345 /nfs/dbraw/zinc/39/33/45/568393345.db2.gz HLOIABPKEZHGOS-UHFFFAOYSA-N 1 0 355.295 4.039 50 0 FIAARO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 ZINC000025356118 568546113 /nfs/dbraw/zinc/54/61/13/568546113.db2.gz DADZPOFIDZMKLN-CQSZACIVSA-N 1 0 356.267 4.486 50 0 FIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 ZINC000091876993 570441653 /nfs/dbraw/zinc/44/16/53/570441653.db2.gz IXCHDXCXJPFQQK-LJQANCHMSA-N 1 0 355.551 4.235 50 0 FIAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3c(Cl)cccc13)C2 ZINC000091908575 570442501 /nfs/dbraw/zinc/44/25/01/570442501.db2.gz BOXVNDMEDADISP-HZPDHXFCSA-N 1 0 371.912 4.143 50 0 FIAARO Cc1c2cc(C)ccc2[nH]c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000092077549 570447043 /nfs/dbraw/zinc/44/70/43/570447043.db2.gz PCQNQCXRZFHKEX-LEWJYISDSA-N 1 0 374.532 4.276 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 ZINC000043879340 570448448 /nfs/dbraw/zinc/44/84/48/570448448.db2.gz GCVVYMBOVVSPKS-LBPRGKRZSA-N 1 0 373.400 4.071 50 0 FIAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000095361187 570453838 /nfs/dbraw/zinc/45/38/38/570453838.db2.gz SOYMUXXGJOFKFA-LJQANCHMSA-N 1 0 366.480 4.167 50 0 FIAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3ccc(Cl)cc31)C2 ZINC000095375210 570457364 /nfs/dbraw/zinc/45/73/64/570457364.db2.gz LUUFFTCGZXBJML-NVXWUHKLSA-N 1 0 371.912 4.143 50 0 FIAARO Fc1ccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095376639 570457920 /nfs/dbraw/zinc/45/79/20/570457920.db2.gz JGUBBRMHTFOPAD-VLCRHTCISA-N 1 0 372.434 4.166 50 0 FIAARO CC1(C)CC(N2CCOCC2)=CC(=[N+]2CCC(Cc3ccccc3)CC2)C1 ZINC000033402443 570523918 /nfs/dbraw/zinc/52/39/18/570523918.db2.gz DAPAFKVQSOABEM-UHFFFAOYSA-N 1 0 367.557 4.129 50 0 FIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3cc(C)ccc3C)c2)C1 ZINC000034670291 570526835 /nfs/dbraw/zinc/52/68/35/570526835.db2.gz PMLXBTIBQYRKGT-LJQANCHMSA-N 1 0 352.478 4.141 50 0 FIAARO CC[NH+]1CCN(Cc2cncc(-c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000034669398 570527003 /nfs/dbraw/zinc/52/70/03/570527003.db2.gz DGWDJPSKZZPTAN-UHFFFAOYSA-N 1 0 350.293 4.193 50 0 FIAARO CCOc1cccc(C[NH2+]CCO)c1OCc1ccc(Cl)cc1Cl ZINC000002845560 570536575 /nfs/dbraw/zinc/53/65/75/570536575.db2.gz JEXNGXDZDIAILR-UHFFFAOYSA-N 1 0 370.276 4.053 50 0 FIAARO CC(C)Cc1ccc([C@H]([NH2+]Cc2cc(=O)n3ccccc3n2)C(C)C)cc1 ZINC000050275821 570544809 /nfs/dbraw/zinc/54/48/09/570544809.db2.gz UUEUGSHCYDZBEK-HSZRJFAPSA-N 1 0 363.505 4.380 50 0 FIAARO Cc1ccc(NC(=O)[C@@H](C)N2CCCCC2)c(C(=O)c2ccccc2)c1 ZINC000003901042 570571090 /nfs/dbraw/zinc/57/10/90/570571090.db2.gz DWXPGCCIRBUDOQ-QGZVFWFLSA-N 1 0 350.462 4.039 50 0 FIAARO Cc1ccc(-n2ncc(C(=O)Nc3ccccc3C)c2C2CC[NH2+]CC2)cc1 ZINC000004992081 570572782 /nfs/dbraw/zinc/57/27/82/570572782.db2.gz NLILRMDCUHQYFL-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO Cc1ccc(N2C(=O)C[C@@H]([C@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000005015863 570574947 /nfs/dbraw/zinc/57/49/47/570574947.db2.gz PHLHBPIOWMXUBQ-MOPGFXCFSA-N 1 0 352.478 4.044 50 0 FIAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccccc2OC3)C1 ZINC000005051211 570579320 /nfs/dbraw/zinc/57/93/20/570579320.db2.gz WMLYDIBRHRFUSH-HNNXBMFYSA-N 1 0 370.518 4.159 50 0 FIAARO CC(C)C[NH+](CCNC(=O)c1csc2c1CCCCC2)CC(C)C ZINC000005070474 570581463 /nfs/dbraw/zinc/58/14/63/570581463.db2.gz YFWGJMNNOOIBCN-UHFFFAOYSA-N 1 0 350.572 4.361 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(F)cc1 ZINC000004413648 570590239 /nfs/dbraw/zinc/59/02/39/570590239.db2.gz XBTKZFXXYSUWOT-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000011722356 570593088 /nfs/dbraw/zinc/59/30/88/570593088.db2.gz OVKCRYULQDFWNB-UHFFFAOYSA-N 1 0 351.494 4.123 50 0 FIAARO CC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000248170166 570600164 /nfs/dbraw/zinc/60/01/64/570600164.db2.gz VGFSFYLZKDRJLY-YADHBBJMSA-N 1 0 366.505 4.408 50 0 FIAARO CC1(C)CC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000004685206 570600728 /nfs/dbraw/zinc/60/07/28/570600728.db2.gz UTGRDWWIKGOWAO-UHFFFAOYSA-N 1 0 359.461 4.301 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000011915573 570601348 /nfs/dbraw/zinc/60/13/48/570601348.db2.gz DFBWOCVBVVAHGW-OAQYLSRUSA-N 1 0 370.468 4.181 50 0 biogenic FIAARO CCOc1ccccc1CN1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000004744584 570604526 /nfs/dbraw/zinc/60/45/26/570604526.db2.gz IQGVPAYVSGDVLW-UHFFFAOYSA-N 1 0 350.506 4.108 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745014 570604569 /nfs/dbraw/zinc/60/45/69/570604569.db2.gz WIFMXZVPDQOTKW-HSZRJFAPSA-N 1 0 362.517 4.046 50 0 FIAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(-c2ccccc2O)c1 ZINC000426538421 570614963 /nfs/dbraw/zinc/61/49/63/570614963.db2.gz RGHUXVQXYIFOAV-QGZVFWFLSA-N 1 0 364.489 4.054 50 0 FIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000004981256 570615639 /nfs/dbraw/zinc/61/56/39/570615639.db2.gz WLYVKYNIPIOPDY-GOSISDBHSA-N 1 0 368.521 4.074 50 0 FIAARO C[NH+](C)C1(CNC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 ZINC000005457304 570659327 /nfs/dbraw/zinc/65/93/27/570659327.db2.gz YQLWOVUOLNFBDZ-UHFFFAOYSA-N 1 0 350.506 4.199 50 0 FIAARO Cc1ccc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062523 570691420 /nfs/dbraw/zinc/69/14/20/570691420.db2.gz BLFOVVISMNTSHE-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1occc1-c1ccccc1 ZINC000022836641 570693719 /nfs/dbraw/zinc/69/37/19/570693719.db2.gz RKQXOWWRZBNXTP-UHFFFAOYSA-N 1 0 360.457 4.341 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccccc2Cl)c1 ZINC000011787352 570707149 /nfs/dbraw/zinc/70/71/49/570707149.db2.gz UITOODTZJPDTDB-LJQANCHMSA-N 1 0 356.897 4.319 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1C ZINC000012056907 570715412 /nfs/dbraw/zinc/71/54/12/570715412.db2.gz LXKYEJXHIDIDMY-SFHVURJKSA-N 1 0 371.550 4.418 50 0 FIAARO COc1cc(-c2nc(C[N@H+](CC3CC3)C[C@H]3CCCO3)c(C)o2)ccc1F ZINC000012076102 570717061 /nfs/dbraw/zinc/71/70/61/570717061.db2.gz YDZRRCOGLAZVKD-QGZVFWFLSA-N 1 0 374.456 4.189 50 0 FIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2F)oc1C ZINC000012111736 570718751 /nfs/dbraw/zinc/71/87/51/570718751.db2.gz KTEMDPXTUIRYNK-HNNXBMFYSA-N 1 0 362.445 4.189 50 0 FIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000012203716 570727578 /nfs/dbraw/zinc/72/75/78/570727578.db2.gz MRXLCDOMIMJHPS-HXUWFJFHSA-N 1 0 363.486 4.413 50 0 FIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000012203709 570727591 /nfs/dbraw/zinc/72/75/91/570727591.db2.gz MRXLCDOMIMJHPS-FQEVSTJZSA-N 1 0 363.486 4.413 50 0 FIAARO Cc1cccc(-n2cc(C[N@@H+](C)[C@@H]3CCOC3)c(-c3cccc(F)c3)n2)c1 ZINC000012297395 570732804 /nfs/dbraw/zinc/73/28/04/570732804.db2.gz KRKLJAYLCPTZKX-OAQYLSRUSA-N 1 0 365.452 4.208 50 0 FIAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000012298538 570733217 /nfs/dbraw/zinc/73/32/17/570733217.db2.gz MFPMJHDCMWBSNS-HSZRJFAPSA-N 1 0 366.505 4.168 50 0 FIAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)c1 ZINC000012305283 570734807 /nfs/dbraw/zinc/73/48/07/570734807.db2.gz SASKKZBPJPOHIZ-GOSISDBHSA-N 1 0 362.473 4.282 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000012315224 570735807 /nfs/dbraw/zinc/73/58/07/570735807.db2.gz MCOHIWCWKOKLLI-MRXNPFEDSA-N 1 0 374.481 4.058 50 0 FIAARO COc1ccc(-c2nc(C[N@H+](C)C(C3CC3)C3CC3)c(C)o2)c(OC)c1 ZINC000012439949 570745657 /nfs/dbraw/zinc/74/56/57/570745657.db2.gz SCTZPTLDHWPNOY-UHFFFAOYSA-N 1 0 356.466 4.288 50 0 FIAARO CCc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(OC)cc2OC)cc1 ZINC000012444798 570746025 /nfs/dbraw/zinc/74/60/25/570746025.db2.gz NEWCXYPIMBNQIY-UHFFFAOYSA-N 1 0 365.477 4.288 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccccc2F)C1 ZINC000012443705 570746079 /nfs/dbraw/zinc/74/60/79/570746079.db2.gz JPUVWKDUQKGFAW-LJQANCHMSA-N 1 0 368.496 4.161 50 0 FIAARO COc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1 ZINC000012457070 570747090 /nfs/dbraw/zinc/74/70/90/570747090.db2.gz QLAQTXCAMHJPAM-ZDUSSCGKSA-N 1 0 357.404 4.318 50 0 FIAARO CCCCOc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000032594030 570750574 /nfs/dbraw/zinc/75/05/74/570750574.db2.gz UGIKWMOEICEVML-IBGZPJMESA-N 1 0 356.466 4.025 50 0 FIAARO Cc1cc2cc(C(=O)N3CC[C@]4(C3)CCC[N@H+](CC3CC3)C4)ccc2o1 ZINC000012586363 570751916 /nfs/dbraw/zinc/75/19/16/570751916.db2.gz LBELEFGQOSFHAW-JOCHJYFZSA-N 1 0 352.478 4.079 50 0 FIAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012591639 570752407 /nfs/dbraw/zinc/75/24/07/570752407.db2.gz DSFZFXXJVQLURU-LJQANCHMSA-N 1 0 371.521 4.239 50 0 FIAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000012597068 570753001 /nfs/dbraw/zinc/75/30/01/570753001.db2.gz UIFSPFJJHVPJNX-UHFFFAOYSA-N 1 0 350.418 4.390 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cccc(F)c2)C1 ZINC000012596315 570753095 /nfs/dbraw/zinc/75/30/95/570753095.db2.gz FNFFVOZFZBRZQP-LJQANCHMSA-N 1 0 368.496 4.161 50 0 FIAARO CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c(C)n1 ZINC000012718464 570758245 /nfs/dbraw/zinc/75/82/45/570758245.db2.gz PWMCTESUGWTXTA-KRWDZBQOSA-N 1 0 359.901 4.350 50 0 FIAARO Cc1ccccc1C(=O)N(CCC[NH+](C)C)c1nc2c(cccc2F)s1 ZINC000004359772 570758706 /nfs/dbraw/zinc/75/87/06/570758706.db2.gz VYBJVZWUYMYJLW-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 ZINC000032664956 570767937 /nfs/dbraw/zinc/76/79/37/570767937.db2.gz AADKAFKIVUASIG-HZPDHXFCSA-N 1 0 359.514 4.008 50 0 FIAARO Cc1ccccc1OC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004122061 570772757 /nfs/dbraw/zinc/77/27/57/570772757.db2.gz AWYKEYBLJROOGP-QHCPKHFHSA-N 1 0 361.485 4.437 50 0 FIAARO O=C(NCCSCc1ccsc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032845537 570820873 /nfs/dbraw/zinc/82/08/73/570820873.db2.gz MNVANEURKFWYOL-UHFFFAOYSA-N 1 0 374.575 4.397 50 0 FIAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000005704810 570824127 /nfs/dbraw/zinc/82/41/27/570824127.db2.gz CXHMREDVYJJTIN-LJQANCHMSA-N 1 0 356.466 4.025 50 0 FIAARO COc1ccc(CN(C)c2cc(C)[nH+]c3ccccc32)c(OC)c1OC ZINC000032902976 570842750 /nfs/dbraw/zinc/84/27/50/570842750.db2.gz KYBNYCQGZIIMKI-UHFFFAOYSA-N 1 0 352.434 4.205 50 0 FIAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000047337927 570886004 /nfs/dbraw/zinc/88/60/04/570886004.db2.gz VKBMKYMGTXZFIT-UHFFFAOYSA-N 1 0 359.420 4.059 50 0 FIAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC000044857405 570899978 /nfs/dbraw/zinc/89/99/78/570899978.db2.gz WXDABEPNSCXCRD-IBGZPJMESA-N 1 0 352.478 4.453 50 0 FIAARO Cc1ccc(-c2nc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cs2)cc1 ZINC000048326583 570947412 /nfs/dbraw/zinc/94/74/12/570947412.db2.gz NEDNDERWSIYJHM-UHFFFAOYSA-N 1 0 369.534 4.209 50 0 FIAARO C[C@@H]([NH2+]CCc1ccco1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000025055296 570989513 /nfs/dbraw/zinc/98/95/13/570989513.db2.gz OODAKDZTFFMKOU-LLVKDONJSA-N 1 0 371.487 4.199 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 ZINC000025330521 570994178 /nfs/dbraw/zinc/99/41/78/570994178.db2.gz RWNKXFDRPZJZRP-MRXNPFEDSA-N 1 0 358.438 4.180 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331365 570994260 /nfs/dbraw/zinc/99/42/60/570994260.db2.gz RMADLLHHSAQSQX-WBMJQRKESA-N 1 0 368.955 4.301 50 0 FIAARO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330821 570994565 /nfs/dbraw/zinc/99/45/65/570994565.db2.gz HJNJZTMGEHLLCV-MRXNPFEDSA-N 1 0 371.531 4.213 50 0 FIAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581641 571014521 /nfs/dbraw/zinc/01/45/21/571014521.db2.gz PFKJVHMMZNLWOO-QFIPXVFZSA-N 1 0 366.505 4.026 50 0 FIAARO COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027584390 571015665 /nfs/dbraw/zinc/01/56/65/571015665.db2.gz OURQMZCUXZZDFC-OAQYLSRUSA-N 1 0 366.505 4.351 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCCCC2)cc1 ZINC000027741409 571019417 /nfs/dbraw/zinc/01/94/17/571019417.db2.gz HIGMTRUCSBDBLE-OAQYLSRUSA-N 1 0 354.469 4.481 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1Cl ZINC000027994228 571025879 /nfs/dbraw/zinc/02/58/79/571025879.db2.gz AFKZGGLDQKYBOL-LJQANCHMSA-N 1 0 372.896 4.224 50 0 FIAARO COc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1 ZINC000028289387 571029509 /nfs/dbraw/zinc/02/95/09/571029509.db2.gz OIPCFCOIOGIJFT-HXUWFJFHSA-N 1 0 354.494 4.025 50 0 FIAARO CC1(C)CC(NC(=O)c2ccccc2COc2ccccc2)CC(C)(C)[NH2+]1 ZINC000028786318 571034059 /nfs/dbraw/zinc/03/40/59/571034059.db2.gz IEQNHYSVPNHCKT-UHFFFAOYSA-N 1 0 366.505 4.305 50 0 FIAARO C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)c1ccccc1 ZINC000175726601 571037124 /nfs/dbraw/zinc/03/71/24/571037124.db2.gz FZJSFISRLYEUQW-QGZVFWFLSA-N 1 0 357.542 4.059 50 0 FIAARO Clc1ccc(C[N@@H+]2CCCN(Cc3ccncc3Cl)CC2)cc1 ZINC000072304839 571060739 /nfs/dbraw/zinc/06/07/39/571060739.db2.gz XHUWOXORLWYEMF-UHFFFAOYSA-N 1 0 350.293 4.096 50 0 FIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000011092427 571061614 /nfs/dbraw/zinc/06/16/14/571061614.db2.gz BUQJTXXUKSAPPF-IIBYNOLFSA-N 1 0 368.477 4.080 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000008854289 571063372 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FC(F)(F)c1ccc2nnc(C[NH2+]Cc3cccc4ccccc43)n2c1 ZINC000053150147 571083880 /nfs/dbraw/zinc/08/38/80/571083880.db2.gz WIBLNJIQKGJCBV-UHFFFAOYSA-N 1 0 356.351 4.191 50 0 FIAARO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000040145458 571085287 /nfs/dbraw/zinc/08/52/87/571085287.db2.gz JPGKEPOEOUDHMZ-UHFFFAOYSA-N 1 0 353.466 4.053 50 0 FIAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000039399271 571089428 /nfs/dbraw/zinc/08/94/28/571089428.db2.gz JPFRYVRZAWREMG-LJQANCHMSA-N 1 0 350.441 4.210 50 0 FIAARO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084667732 571095505 /nfs/dbraw/zinc/09/55/05/571095505.db2.gz JVJPAORAUCDFDI-JKSUJKDBSA-N 1 0 374.916 4.259 50 0 FIAARO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000040460176 571098152 /nfs/dbraw/zinc/09/81/52/571098152.db2.gz HXMGWRZLDRZTMV-PBHICJAKSA-N 1 0 353.491 4.091 50 0 FIAARO Brc1cc(Cc2ccccc2)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774419 571098674 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COCc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099408 571116191 /nfs/dbraw/zinc/11/61/91/571116191.db2.gz PNWUMMVFFXSNIH-JOCHJYFZSA-N 1 0 372.484 4.053 50 0 FIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000055119241 571116448 /nfs/dbraw/zinc/11/64/48/571116448.db2.gz YPPCCECSRNXMQI-AWEZNQCLSA-N 1 0 369.983 4.392 50 0 FIAARO Cc1cc(=O)oc2cc(C[N@@H+](Cc3ccsc3)C[C@H]3CCCO3)ccc12 ZINC000055253083 571118228 /nfs/dbraw/zinc/11/82/28/571118228.db2.gz GEXKBRVHELNPII-GOSISDBHSA-N 1 0 369.486 4.344 50 0 FIAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cc(C)c(OC(C)=O)c(C)c1 ZINC000055383384 571119923 /nfs/dbraw/zinc/11/99/23/571119923.db2.gz NLLPQLCCSKSZPE-LJQANCHMSA-N 1 0 361.507 4.063 50 0 FIAARO COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C3CCCCC3)ccc2c1 ZINC000010051315 571122319 /nfs/dbraw/zinc/12/23/19/571122319.db2.gz FDPLUKNAWOUIDJ-UHFFFAOYSA-N 1 0 354.494 4.071 50 0 FIAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000058014316 571124080 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CCOc1ccc(-c2c[nH+]c(NCc3ccccc3OCC)n2C)cc1 ZINC000004678929 571158548 /nfs/dbraw/zinc/15/85/48/571158548.db2.gz OYYUJFNICDQZOK-UHFFFAOYSA-N 1 0 351.450 4.497 50 0 FIAARO Cc1ccccc1[C@@](CC[NH+]1CCCCC1)(C(N)=O)c1c(C)cccc1C ZINC000075280203 571159690 /nfs/dbraw/zinc/15/96/90/571159690.db2.gz VDKQSUNYNKZXLW-XMMPIXPASA-N 1 0 364.533 4.259 50 0 FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000004700613 571166808 /nfs/dbraw/zinc/16/68/08/571166808.db2.gz MLEXGHJZTBZLJZ-UHFFFAOYSA-N 1 0 350.506 4.256 50 0 FIAARO c1c2ccccc2[nH]c1SCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000006276866 571169992 /nfs/dbraw/zinc/16/99/92/571169992.db2.gz YTXWXMUWBJZRMH-UHFFFAOYSA-N 1 0 351.519 4.472 50 0 FIAARO CCOc1cc(CNc2[nH+]cc(-c3ccc(C)c(C)c3)n2C)ccc1O ZINC000006024606 571170882 /nfs/dbraw/zinc/17/08/82/571170882.db2.gz YZRFSYYPURMSSK-UHFFFAOYSA-N 1 0 351.450 4.420 50 0 FIAARO CC(C)(C)C[C@@H](Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1cccnc1 ZINC000072129699 571170957 /nfs/dbraw/zinc/17/09/57/571170957.db2.gz TXOYRKBKYPDYDN-GOSISDBHSA-N 1 0 374.492 4.126 50 0 FIAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072138747 571171697 /nfs/dbraw/zinc/17/16/97/571171697.db2.gz JMCPUQDVPWIPID-QGZVFWFLSA-N 1 0 370.459 4.265 50 0 FIAARO c1cc([C@@H]2CCCCO2)oc1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000072161749 571175625 /nfs/dbraw/zinc/17/56/25/571175625.db2.gz AJKZOXWBQYKOMQ-FQEVSTJZSA-N 1 0 356.466 4.097 50 0 FIAARO c1ccc(-c2nc3ncccn3c2C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000072168423 571177106 /nfs/dbraw/zinc/17/71/06/571177106.db2.gz HLFWGPBMGQSOMG-LJQANCHMSA-N 1 0 355.445 4.128 50 0 FIAARO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](C/C=C/c1ccco1)CC2 ZINC000072168842 571177465 /nfs/dbraw/zinc/17/74/65/571177465.db2.gz TZGMIVOVMWKDID-DAFODLJHSA-N 1 0 370.518 4.373 50 0 FIAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2c(C)nc3ccccc32)c1 ZINC000012541289 571177604 /nfs/dbraw/zinc/17/76/04/571177604.db2.gz YBYOCKDQBCEQEQ-LJQANCHMSA-N 1 0 351.450 4.157 50 0 FIAARO C/C(=C/C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035240595 571185643 /nfs/dbraw/zinc/18/56/43/571185643.db2.gz RLDFWCMFPTXJHS-ICFOKQHNSA-N 1 0 369.896 4.000 50 0 FIAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(CNc4ccccc43)CC2)cc1 ZINC000072424027 571193993 /nfs/dbraw/zinc/19/39/93/571193993.db2.gz FFZFKFWPVYOFCG-UHFFFAOYSA-N 1 0 364.533 4.349 50 0 FIAARO CC[NH+]1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000072458799 571198078 /nfs/dbraw/zinc/19/80/78/571198078.db2.gz DKWDOZQMPQQSOF-UHFFFAOYSA-N 1 0 374.532 4.294 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072478546 571199563 /nfs/dbraw/zinc/19/95/63/571199563.db2.gz TULZPBMSTIGZOZ-QHCPKHFHSA-N 1 0 367.537 4.482 50 0 FIAARO C[NH+](C)Cc1ccccc1CNc1ncnc2sc3c(c21)CCCC3 ZINC000006550937 571209316 /nfs/dbraw/zinc/20/93/16/571209316.db2.gz OPGKJXURBXJTLC-UHFFFAOYSA-N 1 0 352.507 4.244 50 0 FIAARO O=C(CCC(=O)c1ccc(F)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000006559687 571209531 /nfs/dbraw/zinc/20/95/31/571209531.db2.gz HMKGFLGRZQUOED-UHFFFAOYSA-N 1 0 374.500 4.094 50 0 FIAARO CC1CC[NH+](CCNC(=O)c2ccc(-c3ccc(O)c(Cl)c3)cc2)CC1 ZINC000426358162 571214628 /nfs/dbraw/zinc/21/46/28/571214628.db2.gz CHBCEWDOUCPZCS-UHFFFAOYSA-N 1 0 372.896 4.174 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000097230571 571216834 /nfs/dbraw/zinc/21/68/34/571216834.db2.gz GFNULJBVDNEMSE-GOSISDBHSA-N 1 0 357.425 4.080 50 0 FIAARO CC(C)c1ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nn1 ZINC000426383159 571217557 /nfs/dbraw/zinc/21/75/57/571217557.db2.gz UKJOQUJPGLDNBE-JOCHJYFZSA-N 1 0 368.500 4.232 50 0 FIAARO Cc1cc(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)ccn1 ZINC000426401815 571220463 /nfs/dbraw/zinc/22/04/63/571220463.db2.gz MHUVJIPFNMGDPN-SFHVURJKSA-N 1 0 363.505 4.051 50 0 FIAARO O[C@H](COc1ccccc1-c1cccc2cccnc21)C[NH+]1CCCCC1 ZINC000426414576 571222003 /nfs/dbraw/zinc/22/20/03/571222003.db2.gz IZRREFRMHTUIMU-IBGZPJMESA-N 1 0 362.473 4.127 50 0 FIAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)CN1CCc1ccccc1 ZINC000082083676 571227669 /nfs/dbraw/zinc/22/76/69/571227669.db2.gz CPCUBWWUSRLTPF-JOCHJYFZSA-N 1 0 368.546 4.195 50 0 FIAARO Cc1c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)[nH]c2c1cccc2C ZINC000082096498 571227938 /nfs/dbraw/zinc/22/79/38/571227938.db2.gz HTIQAFXHBDVPSI-UHFFFAOYSA-N 1 0 374.488 4.184 50 0 FIAARO CCc1oc(C(=O)N2CC=C(c3ccccc3)CC2)cc1C[NH+]1CCCC1 ZINC000426523223 571230008 /nfs/dbraw/zinc/23/00/08/571230008.db2.gz SADNCGZPZARKTP-UHFFFAOYSA-N 1 0 364.489 4.367 50 0 FIAARO Cc1cccc([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3OCC[NH3+])C2)c1 ZINC000426578816 571232052 /nfs/dbraw/zinc/23/20/52/571232052.db2.gz PKDCYPZPJRTKFF-QGZVFWFLSA-N 1 0 372.896 4.006 50 0 FIAARO O=C(c1cccc(-c2ccc(F)c(Cl)c2)c1)N1CC([NH+]2CCCCC2)C1 ZINC000426658269 571234375 /nfs/dbraw/zinc/23/43/75/571234375.db2.gz GBBKXBXAYMNDEA-UHFFFAOYSA-N 1 0 372.871 4.456 50 0 FIAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2C)c1 ZINC000036098666 571241127 /nfs/dbraw/zinc/24/11/27/571241127.db2.gz IKNXUGKDFSNQDJ-NRFANRHFSA-N 1 0 365.473 4.339 50 0 FIAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1 ZINC000036098636 571241164 /nfs/dbraw/zinc/24/11/64/571241164.db2.gz BLYGRYCJGNHGCS-JOCHJYFZSA-N 1 0 365.473 4.168 50 0 FIAARO O=C1CCC2(CC[NH+](CCCC(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000091626379 571241480 /nfs/dbraw/zinc/24/14/80/571241480.db2.gz HOCYCMFBNCUMNB-UHFFFAOYSA-N 1 0 368.443 4.234 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169679121 571247026 /nfs/dbraw/zinc/24/70/26/571247026.db2.gz SFCCMILXRNEZJW-RHSMWYFYSA-N 1 0 353.915 4.442 50 0 FIAARO CC(C)(CNC(=O)CSc1ccc2ccccc2c1)[NH+]1CCCCC1 ZINC000006843718 571250421 /nfs/dbraw/zinc/25/04/21/571250421.db2.gz WTCUMPPQVYOLAJ-UHFFFAOYSA-N 1 0 356.535 4.313 50 0 FIAARO C[NH+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(F)cc1 ZINC000006876226 571252106 /nfs/dbraw/zinc/25/21/06/571252106.db2.gz KPGJZVAYYRCKOO-UHFFFAOYSA-N 1 0 351.516 4.038 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000007064548 571260447 /nfs/dbraw/zinc/26/04/47/571260447.db2.gz GOYHHVZEOGJBAA-UHFFFAOYSA-N 1 0 359.473 4.104 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc(F)cc1F ZINC000007141136 571262002 /nfs/dbraw/zinc/26/20/02/571262002.db2.gz CFUKNVPLZQHNEY-BEFAXECRSA-N 1 0 357.404 4.113 50 0 FIAARO COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1OC ZINC000007266567 571263594 /nfs/dbraw/zinc/26/35/94/571263594.db2.gz GNEAFCZSRLUIKR-MRXNPFEDSA-N 1 0 370.493 4.286 50 0 FIAARO O=C(Cc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447548 571265765 /nfs/dbraw/zinc/26/57/65/571265765.db2.gz HXDOWFNODZDUBD-UHFFFAOYSA-N 1 0 361.489 4.013 50 0 FIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000170625355 571269325 /nfs/dbraw/zinc/26/93/25/571269325.db2.gz MHQXBXQDXLYZAM-JTSKRJEESA-N 1 0 365.521 4.041 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1F ZINC000237951745 571277355 /nfs/dbraw/zinc/27/73/55/571277355.db2.gz OSLFAPBLYYGDRP-OAQYLSRUSA-N 1 0 351.421 4.228 50 0 FIAARO C[C@H]([NH2+]CCc1ccc(N(C)C)cc1)c1ccc(OC2CCOCC2)cc1 ZINC000153359721 571282441 /nfs/dbraw/zinc/28/24/41/571282441.db2.gz XVNAETBWZDOXNI-SFHVURJKSA-N 1 0 368.521 4.204 50 0 FIAARO O=C(NC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1)C1CCCCC1 ZINC000252550151 571283467 /nfs/dbraw/zinc/28/34/67/571283467.db2.gz SBCCUBXHSYBDIZ-FQEVSTJZSA-N 1 0 362.558 4.029 50 0 FIAARO CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(C)ccc1OC ZINC000007681398 571285747 /nfs/dbraw/zinc/28/57/47/571285747.db2.gz IAIUWWGYSAJAOD-UHFFFAOYSA-N 1 0 360.885 4.426 50 0 FIAARO CC(C)c1ccc([C@@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C(C)C)cc1 ZINC000007803989 571289502 /nfs/dbraw/zinc/28/95/02/571289502.db2.gz FBBOWKSAZMVPJN-IBGZPJMESA-N 1 0 355.507 4.366 50 0 FIAARO CCC1=C(c2ccccc2)[N+](=O)[C@@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000033360610 571308450 /nfs/dbraw/zinc/30/84/50/571308450.db2.gz FVIPWVWBVXHDQD-FQEVSTJZSA-N 1 0 355.414 4.139 50 0 FIAARO Cn1c(CC[NH+]2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000002442349 571322370 /nfs/dbraw/zinc/32/23/70/571322370.db2.gz BEDODXXXXLQLII-UHFFFAOYSA-N 1 0 368.525 4.121 50 0 FIAARO O=C(Nc1ccccc1Cl)N(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000079107202 571326998 /nfs/dbraw/zinc/32/69/98/571326998.db2.gz PJNJTLCORKVYNS-UHFFFAOYSA-N 1 0 357.885 4.470 50 0 FIAARO CC(C)n1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079189131 571327123 /nfs/dbraw/zinc/32/71/23/571327123.db2.gz DYZYWLXCIRNQDI-FXAWDEMLSA-N 1 0 353.510 4.217 50 0 biogenic FIAARO Cc1ncc(C[NH+](C)C)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095476610 571330913 /nfs/dbraw/zinc/33/09/13/571330913.db2.gz FBPFXGIVZRJYQR-UHFFFAOYSA-N 1 0 373.250 4.191 50 0 FIAARO Cc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)CC[NH+]2CCCCC2)cc1 ZINC000095946154 571332492 /nfs/dbraw/zinc/33/24/92/571332492.db2.gz XSMZNENDRWVSND-HXUWFJFHSA-N 1 0 365.477 4.142 50 0 FIAARO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000095989235 571333508 /nfs/dbraw/zinc/33/35/08/571333508.db2.gz MNEPFHQATVXXPN-IERDGZPVSA-N 1 0 353.441 4.186 50 0 FIAARO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2cccc(C(N)=O)c2)C(C)(C)O1 ZINC000095992214 571333557 /nfs/dbraw/zinc/33/35/57/571333557.db2.gz PMYLGGIJUSQJKN-HXUWFJFHSA-N 1 0 366.505 4.134 50 0 FIAARO COc1ccccc1C[C@@H](C)[NH2+][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000162767779 571343579 /nfs/dbraw/zinc/34/35/79/571343579.db2.gz HXDBBLASJYQSBK-DNVCBOLYSA-N 1 0 366.465 4.058 50 0 FIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccc(F)cc2)CC1 ZINC000015679767 571346161 /nfs/dbraw/zinc/34/61/61/571346161.db2.gz ZZWDCZZNJOMTLV-UHFFFAOYSA-N 1 0 361.486 4.406 50 0 FIAARO CC(C)N(c1ccccc1)c1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000003304680 571346961 /nfs/dbraw/zinc/34/69/61/571346961.db2.gz RLHCOHXXAVGTHB-UHFFFAOYSA-N 1 0 356.539 4.081 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000003419928 571349337 /nfs/dbraw/zinc/34/93/37/571349337.db2.gz ZSIJVZCIGVHLMU-HSZRJFAPSA-N 1 0 374.484 4.298 50 0 FIAARO Cc1ccccc1NC(=S)N(CC[NH+]1CCCCC1)Cc1ccco1 ZINC000003662243 571352071 /nfs/dbraw/zinc/35/20/71/571352071.db2.gz VXAJIICTONRIAW-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCCC1)CCCC2 ZINC000004139622 571356095 /nfs/dbraw/zinc/35/60/95/571356095.db2.gz KGHNLZRJCPAXTR-LJQANCHMSA-N 1 0 355.507 4.166 50 0 FIAARO O=c1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2sccn21 ZINC000007988364 571358264 /nfs/dbraw/zinc/35/82/64/571358264.db2.gz GXFBLJBDTPLWSX-UHFFFAOYSA-N 1 0 371.481 4.230 50 0 FIAARO COc1ccc(C[N@H+](C)Cc2cccc3ncccc23)cc1Cn1cccn1 ZINC000670469345 571359547 /nfs/dbraw/zinc/35/95/47/571359547.db2.gz IFFCDBWRMRCBQB-UHFFFAOYSA-N 1 0 372.472 4.120 50 0 FIAARO OC[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)cs2)C[C@H]1c1ccsc1 ZINC000287143059 1080093030 /nfs/dbraw/zinc/09/30/30/1080093030.db2.gz YGOVZEFCHYNVLW-IRXDYDNUSA-N 1 0 356.516 4.080 50 0 FIAARO Cc1ccc(-n2cc(C[NH2+]C3CCN(C)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000020118893 1089633358 /nfs/dbraw/zinc/63/33/58/1089633358.db2.gz UMPQOIQYIWVSSN-UHFFFAOYSA-N 1 0 374.532 4.340 50 0 FIAARO CC(C)C[N@@H+]1CCCC[C@H]1c1nn(Cc2ccccc2)c2c1COCC2 ZINC000675010781 1090885291 /nfs/dbraw/zinc/88/52/91/1090885291.db2.gz JNFILHNXKFFSCK-NRFANRHFSA-N 1 0 353.510 4.187 50 0 FIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000252480013 1093609531 /nfs/dbraw/zinc/60/95/31/1093609531.db2.gz BRPZDTCZPPTXOB-GOSISDBHSA-N 1 0 358.526 4.099 50 0 FIAARO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc(Cl)ccc1Cl ZINC000262367839 1095658986 /nfs/dbraw/zinc/65/89/86/1095658986.db2.gz WHNUYSVYJKAUKY-UHFFFAOYSA-N 1 0 356.278 4.169 50 0 FIAARO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000006667489 1119453512 /nfs/dbraw/zinc/45/35/12/1119453512.db2.gz PVRFTMURVYUYMB-UHFFFAOYSA-N 1 0 357.425 4.141 50 0 FIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C1CC(F)(F)C1 ZINC000529552037 1124152489 /nfs/dbraw/zinc/15/24/89/1124152489.db2.gz WUJJUTCWSRAUDZ-UONOGXRCSA-N 1 0 359.420 4.418 50 0 FIAARO CC[C@H]([NH2+]Cc1nc2c(cccc2F)n1CC)c1ccc2c(c1)OCCO2 ZINC000180648769 1124381543 /nfs/dbraw/zinc/38/15/43/1124381543.db2.gz UOFWBWFJRDAVLE-INIZCTEOSA-N 1 0 369.440 4.207 50 0 FIAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000011820679 1125148058 /nfs/dbraw/zinc/14/80/58/1125148058.db2.gz PRGUESZZNZIYMI-LJQANCHMSA-N 1 0 350.441 4.088 50 0 FIAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000011820680 1125148230 /nfs/dbraw/zinc/14/82/30/1125148230.db2.gz PRGUESZZNZIYMI-IBGZPJMESA-N 1 0 350.441 4.088 50 0 FIAARO c1ccc(COc2cccc(CN3CCCC[C@H]([NH+]4CCCC4)C3)c2)nc1 ZINC000092785895 1125242765 /nfs/dbraw/zinc/24/27/65/1125242765.db2.gz CQUQVKUJEKQZFH-QFIPXVFZSA-N 1 0 365.521 4.111 50 0 FIAARO CCc1nc2ccccc2c(NC(=O)C[NH2+][C@@H](C)Cc2ccccc2)c1C ZINC000000754598 210267286 /nfs/dbraw/zinc/26/72/86/210267286.db2.gz YHPPORWARGLPBZ-INIZCTEOSA-N 1 0 361.489 4.265 50 0 FIAARO CCOc1ccc([C@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)cc1OC ZINC000000718000 210265811 /nfs/dbraw/zinc/26/58/11/210265811.db2.gz ANWNNBCRMSTVKA-JOCHJYFZSA-N 1 0 371.477 4.126 50 0 biogenic FIAARO Cc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 ZINC000000622953 210252466 /nfs/dbraw/zinc/25/24/66/210252466.db2.gz CAYAXHYWUJUEJY-UHFFFAOYSA-N 1 0 354.271 4.449 50 0 FIAARO COc1ccc(C(=O)Nc2ccccc2CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000000607849 210251809 /nfs/dbraw/zinc/25/18/09/210251809.db2.gz PJWPNDMDCLXCOM-LJQANCHMSA-N 1 0 352.478 4.364 50 0 world FIAARO CSCCNC(=O)c1ccc([C@@H]2CCCN2Cc2ccsc2)s1 ZINC000023580843 210160218 /nfs/dbraw/zinc/16/02/18/210160218.db2.gz YAJXMJOVVRSMSX-AWEZNQCLSA-N 1 0 366.577 4.240 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1)c1cccc(F)c1 ZINC000328589652 210107610 /nfs/dbraw/zinc/10/76/10/210107610.db2.gz SXCHYTLYARHZIB-QFIPXVFZSA-N 1 0 369.411 4.367 50 0 FIAARO CC(C)n1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000096343587 210097324 /nfs/dbraw/zinc/09/73/24/210097324.db2.gz ONWYPDKTCIPTDT-WOJBJXKFSA-N 1 0 353.510 4.217 50 0 FIAARO Clc1cccc(-c2cc3c(c(OCc4cccnc4)c2)OCC[NH2+]C3)c1 ZINC000299802589 210042879 /nfs/dbraw/zinc/04/28/79/210042879.db2.gz ZVGMEFHEBZSXEX-UHFFFAOYSA-N 1 0 366.848 4.463 50 0 FIAARO c1ccc(OCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1 ZINC000299802559 210041554 /nfs/dbraw/zinc/04/15/54/210041554.db2.gz ZKCKLHXNOVSNKO-ZCNNSNEGSA-N 1 0 361.445 4.342 50 0 FIAARO CCn1c(C)cc2cc(NC(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)ccc21 ZINC000299790926 210034111 /nfs/dbraw/zinc/03/41/11/210034111.db2.gz BXMXLHNVRRAHBU-OAHLLOKOSA-N 1 0 354.498 4.060 50 0 FIAARO Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299790973 210033324 /nfs/dbraw/zinc/03/33/24/210033324.db2.gz ZFBRURQKOJJSTG-GOSISDBHSA-N 1 0 368.525 4.236 50 0 FIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1Cc1ccc(Cl)cc1 ZINC000299768722 210016501 /nfs/dbraw/zinc/01/65/01/210016501.db2.gz PYZSCXLWBFVGAJ-SFHVURJKSA-N 1 0 360.860 4.150 50 0 FIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3ccc4ccccc4n3)c1)C2 ZINC000299762080 210013879 /nfs/dbraw/zinc/01/38/79/210013879.db2.gz KQWBFZRNCQDWTM-LEWJYISDSA-N 1 0 371.484 4.211 50 0 FIAARO COc1cccc([C@H]2CCCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000299755754 210009363 /nfs/dbraw/zinc/00/93/63/210009363.db2.gz DCLWXRSJHQZSQM-HXUWFJFHSA-N 1 0 368.477 4.251 50 0 FIAARO CN(C)C(=O)c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)[nH]1 ZINC000253430762 222989818 /nfs/dbraw/zinc/98/98/18/222989818.db2.gz LMMZINOBSRFXED-MQMHXKEQSA-N 1 0 366.292 4.059 50 0 FIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000012383604 219987034 /nfs/dbraw/zinc/98/70/34/219987034.db2.gz DSETXUZNKGFVOK-CYBMUJFWSA-N 1 0 364.283 4.187 50 0 FIAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1C1CCCCC1 ZINC000012520623 220002107 /nfs/dbraw/zinc/00/21/07/220002107.db2.gz PTYHFLKAWPIGCW-LJQANCHMSA-N 1 0 362.481 4.056 50 0 FIAARO COc1c2ccc(Cl)cc2sc1C(=O)NCC[NH+]1CCCCCC1 ZINC000064756825 212043486 /nfs/dbraw/zinc/04/34/86/212043486.db2.gz PKDWCAYKIFSGTB-UHFFFAOYSA-N 1 0 366.914 4.169 50 0 FIAARO CC[NH+](CC)Cc1cccc(NC(=O)Cc2ccccc2OC(C)C)c1 ZINC000060300049 212019870 /nfs/dbraw/zinc/01/98/70/212019870.db2.gz ZDJBADSZJZFKBA-UHFFFAOYSA-N 1 0 354.494 4.497 50 0 FIAARO O[C@H](COCC(c1ccccc1)c1ccccc1)C[NH+]1CCCCCC1 ZINC000040373192 212017164 /nfs/dbraw/zinc/01/71/64/212017164.db2.gz UGWAIEFACIACGF-QFIPXVFZSA-N 1 0 353.506 4.072 50 0 FIAARO CC(=O)c1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000012706217 220019495 /nfs/dbraw/zinc/01/94/95/220019495.db2.gz JRSSFAYQFFNANL-HXUWFJFHSA-N 1 0 370.562 4.337 50 0 FIAARO CCC(CC)C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000013322793 220063556 /nfs/dbraw/zinc/06/35/56/220063556.db2.gz LCCUVEDEJCXGSV-UHFFFAOYSA-N 1 0 368.319 4.035 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000038673459 211701448 /nfs/dbraw/zinc/70/14/48/211701448.db2.gz FOSNUGXNYRPXJA-AWEZNQCLSA-N 1 0 357.401 4.191 50 0 FIAARO O[C@H](Cc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103521 211652964 /nfs/dbraw/zinc/65/29/64/211652964.db2.gz LJEGPUZDNPDPNR-HXUWFJFHSA-N 1 0 355.478 4.493 50 0 FIAARO O=c1cc(C(F)F)nc(-c2cccc(C[N@@H+]3CCc4sccc4C3)c2)[nH]1 ZINC000023619438 211391046 /nfs/dbraw/zinc/39/10/46/211391046.db2.gz HZDHYBBCSRYJKN-UHFFFAOYSA-N 1 0 373.428 4.407 50 0 FIAARO CC(C)C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000021944783 211332236 /nfs/dbraw/zinc/33/22/36/211332236.db2.gz UUUWYFMUOAHDQH-UHFFFAOYSA-N 1 0 361.898 4.068 50 0 FIAARO Cc1ccccc1-n1cc(-c2ccccc2)c2c1ncnc2NCC[NH+](C)C ZINC000021797989 211325073 /nfs/dbraw/zinc/32/50/73/211325073.db2.gz DPZPAULXZBOCIP-UHFFFAOYSA-N 1 0 371.488 4.369 50 0 FIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1Cc2ccccc2S1 ZINC000021410818 211312427 /nfs/dbraw/zinc/31/24/27/211312427.db2.gz XMONQDLIUVBEND-OAQYLSRUSA-N 1 0 366.530 4.006 50 0 FIAARO CCc1ccc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc1 ZINC000021663452 211320049 /nfs/dbraw/zinc/32/00/49/211320049.db2.gz KXJNXQAOFKGDMT-UHFFFAOYSA-N 1 0 369.534 4.474 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)o1 ZINC000021659757 211319435 /nfs/dbraw/zinc/31/94/35/211319435.db2.gz ZYXOWQOAAJEENY-IBGZPJMESA-N 1 0 354.494 4.452 50 0 FIAARO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2nc3ccccc3n2C)s1 ZINC000020784689 211294949 /nfs/dbraw/zinc/29/49/49/211294949.db2.gz MZYGKBUFKPJUGO-MRXNPFEDSA-N 1 0 368.506 4.432 50 0 FIAARO CC1CC[NH+](CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020575098 211288661 /nfs/dbraw/zinc/28/86/61/211288661.db2.gz QVMSHBJGBSRROD-UHFFFAOYSA-N 1 0 371.872 4.082 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc(F)c(F)c(F)c1)[NH2+]CC2 ZINC000020506977 211285515 /nfs/dbraw/zinc/28/55/15/211285515.db2.gz RCVMBCBJDKISLF-LJQANCHMSA-N 1 0 351.368 4.136 50 0 FIAARO CCc1ccc([C@@](O)(C(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440977 211279031 /nfs/dbraw/zinc/27/90/31/211279031.db2.gz NAXPCDKTESJFLO-ZEQRLZLVSA-N 1 0 367.533 4.209 50 0 FIAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000020123905 211267823 /nfs/dbraw/zinc/26/78/23/211267823.db2.gz BMOAYKAROHLNIS-CRAIPNDOSA-N 1 0 351.332 4.145 50 0 FIAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019842160 211259966 /nfs/dbraw/zinc/25/99/66/211259966.db2.gz 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364.514 4.399 50 0 FIAARO COc1cccc(C[NH2+]CC(=O)N(C2CCCCC2)C2CCCCC2)c1 ZINC000058373173 221116922 /nfs/dbraw/zinc/11/69/22/221116922.db2.gz BZRUQBKTLYNFFN-UHFFFAOYSA-N 1 0 358.526 4.279 50 0 FIAARO C[N@H+](CCCNC(=O)c1ccnc(-c2cccs2)c1)Cc1ccccc1 ZINC000065063090 221166817 /nfs/dbraw/zinc/16/68/17/221166817.db2.gz YOEGBAUOILDOIK-UHFFFAOYSA-N 1 0 365.502 4.062 50 0 FIAARO CC(=O)c1cc(-c2c(-c3ccccc3)ncn2[C@@H]2CCC[NH2+]C2)cs1 ZINC000065406149 221213546 /nfs/dbraw/zinc/21/35/46/221213546.db2.gz SZNFYNWHUWTHJG-QGZVFWFLSA-N 1 0 351.475 4.406 50 0 FIAARO CCOc1ccc2nc(-c3c(-c4ccccc4)ncn3CC[NH3+])ccc2c1 ZINC000065434813 221218908 /nfs/dbraw/zinc/21/89/08/221218908.db2.gz YSRCRNRIJILINB-UHFFFAOYSA-N 1 0 358.445 4.123 50 0 FIAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 ZINC000065468978 221222843 /nfs/dbraw/zinc/22/28/43/221222843.db2.gz IUOHJNDECVVDIG-GSPCDJLXSA-N 1 0 350.422 4.008 50 0 FIAARO Cc1ncc(-c2c(-c3ccccc3)ncn2CC[NH+](C(C)C)C(C)C)n1C ZINC000065397312 221211410 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CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 ZINC000071847909 221382644 /nfs/dbraw/zinc/38/26/44/221382644.db2.gz HBIVBXZRGKDDIS-DENIHFKCSA-N 1 0 354.538 4.077 50 0 FIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071763487 221371844 /nfs/dbraw/zinc/37/18/44/221371844.db2.gz YQMJVWLCHJPSSR-LJQANCHMSA-N 1 0 357.469 4.042 50 0 FIAARO CC(C)[C@H]1C[N@H+](Cc2cccs2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071774636 221373531 /nfs/dbraw/zinc/37/35/31/221373531.db2.gz HOPWDGQNZXFOLW-LJQANCHMSA-N 1 0 360.498 4.146 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000071774791 221375262 /nfs/dbraw/zinc/37/52/62/221375262.db2.gz FDLKBIGUOOMRBJ-OAHLLOKOSA-N 1 0 369.852 4.418 50 0 FIAARO c1cn(Cc2ccncc2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000091906417 132204693 /nfs/dbraw/zinc/20/46/93/132204693.db2.gz AXIVXLFABCTZKX-LJQANCHMSA-N 1 0 369.472 4.259 50 0 FIAARO CCSc1ccccc1C(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000244970306 132376557 /nfs/dbraw/zinc/37/65/57/132376557.db2.gz HSJIYUNBMGEYMP-UHFFFAOYSA-N 1 0 369.534 4.148 50 0 FIAARO COc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000000752243 132378181 /nfs/dbraw/zinc/37/81/81/132378181.db2.gz XYBDXDLOPUIIQJ-UHFFFAOYSA-N 1 0 364.411 4.345 50 0 FIAARO Cc1c2cc(Cl)cc(CNC(=O)[C@H]3CC[NH2+]C3)c2[nH]c1-c1ccccc1 ZINC000077523731 221641800 /nfs/dbraw/zinc/64/18/00/221641800.db2.gz WULDPTJJNHHDPD-HNNXBMFYSA-N 1 0 367.880 4.022 50 0 FIAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([C@H]2CCCO2)s1 ZINC000091914978 221813818 /nfs/dbraw/zinc/81/38/18/221813818.db2.gz KHCWHNRGFSGNOU-GOSISDBHSA-N 1 0 370.518 4.125 50 0 FIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000091951793 221818287 /nfs/dbraw/zinc/81/82/87/221818287.db2.gz MUUGVOZGNOMSMP-JOCHJYFZSA-N 1 0 362.517 4.418 50 0 FIAARO COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095356937 221857217 /nfs/dbraw/zinc/85/72/17/221857217.db2.gz CDVKEHRUSCOTAA-KRWDZBQOSA-N 1 0 372.896 4.088 50 0 FIAARO Clc1ccc2nc(N3CCC([NH2+][C@H]4CCSC4)CC3)sc2c1 ZINC000095523801 221950508 /nfs/dbraw/zinc/95/05/08/221950508.db2.gz DMLMPZWWOYVYKU-ZDUSSCGKSA-N 1 0 353.944 4.014 50 0 FIAARO O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc2cnccc21 ZINC000096133366 222039579 /nfs/dbraw/zinc/03/95/79/222039579.db2.gz FNXWUIROLHYJNG-IBGZPJMESA-N 1 0 374.488 4.269 50 0 FIAARO c1cc(CN2CCOCC2)cc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000096148335 222050592 /nfs/dbraw/zinc/05/05/92/222050592.db2.gz ZNFGVGFOCJVQJF-UHFFFAOYSA-N 1 0 350.506 4.172 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNc1ncccc1-c1nnc(-c2ccc(C)cc2)o1 ZINC000096339000 222116144 /nfs/dbraw/zinc/11/61/44/222116144.db2.gz IDVCOSFVHXGMBI-QGZVFWFLSA-N 1 0 363.465 4.003 50 0 FIAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000097713464 222207398 /nfs/dbraw/zinc/20/73/98/222207398.db2.gz OIPLMFMHYHGMBT-UHFFFAOYSA-N 1 0 371.481 4.025 50 0 FIAARO Cc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000101120732 222262617 /nfs/dbraw/zinc/26/26/17/222262617.db2.gz PHLHBPIOWMXUBQ-RBUKOAKNSA-N 1 0 352.478 4.044 50 0 FIAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000020203933 521183676 /nfs/dbraw/zinc/18/36/76/521183676.db2.gz ACOQFNMXCMTPTN-OAQYLSRUSA-N 1 0 372.534 4.148 50 0 FIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cccc(SC)c2)C1 ZINC000019838046 521420452 /nfs/dbraw/zinc/42/04/52/521420452.db2.gz USUWELWONNMFGO-HXUWFJFHSA-N 1 0 355.551 4.290 50 0 FIAARO CCOc1ccccc1-c1nc(CN(CC)CC[NH+](CC)CC)c(C)o1 ZINC000020209396 521440227 /nfs/dbraw/zinc/44/02/27/521440227.db2.gz FULQFESFUNVISM-UHFFFAOYSA-N 1 0 359.514 4.212 50 0 FIAARO C[NH+](C)[C@H]1CCCCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)C1 ZINC000082116217 522091423 /nfs/dbraw/zinc/09/14/23/522091423.db2.gz ZXLIHTBYICXEIX-IBGZPJMESA-N 1 0 373.928 4.210 50 0 FIAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@H]1CCCCO1)CC2 ZINC000240902749 523042274 /nfs/dbraw/zinc/04/22/74/523042274.db2.gz IVBSQJXXVFTDNJ-IERDGZPVSA-N 1 0 373.518 4.282 50 0 FIAARO C[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)[C@H]1CCCc2ccccc21 ZINC000247986531 523098400 /nfs/dbraw/zinc/09/84/00/523098400.db2.gz KQIRASASHDWWIA-FPOVZHCZSA-N 1 0 359.897 4.227 50 0 FIAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCSC)cc1 ZINC000020539157 523244325 /nfs/dbraw/zinc/24/43/25/523244325.db2.gz CFHNBTOAQUVWDL-UHFFFAOYSA-N 1 0 371.481 4.140 50 0 FIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+][C@H]1CCOC1 ZINC000020599839 525012298 /nfs/dbraw/zinc/01/22/98/525012298.db2.gz OROLVYJDVJSTIV-KRWDZBQOSA-N 1 0 369.415 4.004 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000020889653 525155427 /nfs/dbraw/zinc/15/54/27/525155427.db2.gz YQKAWRSBLKFQBH-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO COc1ccc([C@@H](C)[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)cc1OC ZINC000091690184 525155820 /nfs/dbraw/zinc/15/58/20/525155820.db2.gz YQZXSVGCWGGSOS-GFCCVEGCSA-N 1 0 372.852 4.050 50 0 FIAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccccc3OC(C)C)C2)c1 ZINC000089890942 526159436 /nfs/dbraw/zinc/15/94/36/526159436.db2.gz CJLYVYQTDHOUIX-GOSISDBHSA-N 1 0 354.494 4.099 50 0 FIAARO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000156219432 526573697 /nfs/dbraw/zinc/57/36/97/526573697.db2.gz DLEYOCOXFFZJIR-GXSJLCMTSA-N 1 0 369.943 4.033 50 0 FIAARO Clc1cccc(OCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000020482409 526980779 /nfs/dbraw/zinc/98/07/79/526980779.db2.gz GJVPOXGXYRDKLV-UHFFFAOYSA-N 1 0 358.913 4.317 50 0 FIAARO O=C1c2ccccc2[C@H]([NH2+]CCc2ccccc2)N1CCc1ccccc1 ZINC000019848923 527136778 /nfs/dbraw/zinc/13/67/78/527136778.db2.gz RHZZAKVHTZHLJV-HSZRJFAPSA-N 1 0 356.469 4.216 50 0 FIAARO [NH3+][C@H]1CC[C@@H](NC(=O)C[C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000240936914 527412610 /nfs/dbraw/zinc/41/26/10/527412610.db2.gz SFVOJTUMQAZTPB-SCTDSRPQSA-N 1 0 356.897 4.248 50 0 FIAARO O=C(NCC1CC[NH+](CCc2ccc(F)cc2)CC1)Nc1ccccc1F ZINC000020889856 527610175 /nfs/dbraw/zinc/61/01/75/527610175.db2.gz WLLDLKAFYYYXMI-UHFFFAOYSA-N 1 0 373.447 4.041 50 0 FIAARO CCN(CC)c1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000033128999 535687949 /nfs/dbraw/zinc/68/79/49/535687949.db2.gz POWKZLHVNXZWGU-UHFFFAOYSA-N 1 0 366.509 4.091 50 0 FIAARO CC[C@H](C)c1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000299772569 536022904 /nfs/dbraw/zinc/02/29/04/536022904.db2.gz BRULETQTMJAXHX-INIZCTEOSA-N 1 0 352.482 4.258 50 0 FIAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000007717838 536424693 /nfs/dbraw/zinc/42/46/93/536424693.db2.gz UTDYKMGBQUBYPG-UHFFFAOYSA-N 1 0 371.484 4.358 50 0 FIAARO c1cc([C@@H]2CCCO2)sc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000216416644 568122549 /nfs/dbraw/zinc/12/25/49/568122549.db2.gz LGLLOUPYMZRNOW-KRWDZBQOSA-N 1 0 368.506 4.022 50 0 FIAARO Cc1cccnc1CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095356310 570453197 /nfs/dbraw/zinc/45/31/97/570453197.db2.gz QJTQEYRAUUFMRS-NRFANRHFSA-N 1 0 365.521 4.183 50 0 FIAARO Cc1cccnc1CN(Cc1ccccc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095356311 570453468 /nfs/dbraw/zinc/45/34/68/570453468.db2.gz QJTQEYRAUUFMRS-OAQYLSRUSA-N 1 0 365.521 4.183 50 0 FIAARO CSc1ccccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095359273 570453884 /nfs/dbraw/zinc/45/38/84/570453884.db2.gz ZRUWYVSXYMARCA-LJQANCHMSA-N 1 0 366.530 4.047 50 0 FIAARO CSc1cccc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000095392081 570461260 /nfs/dbraw/zinc/46/12/60/570461260.db2.gz GENRJPHWOHAIEE-LJQANCHMSA-N 1 0 354.519 4.148 50 0 FIAARO CCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000095510657 570465355 /nfs/dbraw/zinc/46/53/55/570465355.db2.gz SCOHJWCRSMMQEP-UHFFFAOYSA-N 1 0 365.521 4.041 50 0 FIAARO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)C1 ZINC000095520854 570467253 /nfs/dbraw/zinc/46/72/53/570467253.db2.gz ARNHWAONLCUMFI-NRFANRHFSA-N 1 0 353.441 4.052 50 0 FIAARO Clc1ccc2nc(N3CCC([NH2+]CCc4cccnc4)CC3)sc2c1 ZINC000095529794 570469616 /nfs/dbraw/zinc/46/96/16/570469616.db2.gz PNLGAZUWEKRXEQ-UHFFFAOYSA-N 1 0 372.925 4.146 50 0 FIAARO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]2c2nnc(-c3ccccc3)o2)CC1 ZINC000071889673 570510350 /nfs/dbraw/zinc/51/03/50/570510350.db2.gz VQQVUDUMMKVJLB-GOSISDBHSA-N 1 0 364.449 4.111 50 0 FIAARO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000034682747 570531752 /nfs/dbraw/zinc/53/17/52/570531752.db2.gz BYCYNYUDIGDZBE-UHFFFAOYSA-N 1 0 369.484 4.327 50 0 FIAARO COc1cc(C(C)=O)ccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002881304 570542476 /nfs/dbraw/zinc/54/24/76/570542476.db2.gz ZOFUEPAECUOZJV-UHFFFAOYSA-N 1 0 367.489 4.231 50 0 FIAARO CC1CC[NH+](CCCCOc2ccc(I)cc2)CC1 ZINC000002954682 570545169 /nfs/dbraw/zinc/54/51/69/570545169.db2.gz AFBNYLDZGSCYMD-UHFFFAOYSA-N 1 0 373.278 4.182 50 0 FIAARO Cc1nc2ccccc2c2oc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc21 ZINC000004902544 570556942 /nfs/dbraw/zinc/55/69/42/570556942.db2.gz SACNCQRCMNWHPD-UHFFFAOYSA-N 1 0 373.456 4.151 50 0 FIAARO COc1cc(C[NH2+]CCSc2ccc(Cl)cc2)cc2c1OCCO2 ZINC000007986243 570565473 /nfs/dbraw/zinc/56/54/73/570565473.db2.gz UMAFRRXPOLBUAU-UHFFFAOYSA-N 1 0 365.882 4.002 50 0 FIAARO COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000003897554 570570808 /nfs/dbraw/zinc/57/08/08/570570808.db2.gz XMEGHXYPMWYZPW-WHUZPFGVSA-N 1 0 374.484 4.492 50 0 FIAARO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C(C)(C)C)c1 ZINC000004986484 570571809 /nfs/dbraw/zinc/57/18/09/570571809.db2.gz JNWIOECBPTUQEP-HXUWFJFHSA-N 1 0 353.506 4.091 50 0 FIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000004302757 570583829 /nfs/dbraw/zinc/58/38/29/570583829.db2.gz ZXQHRBFBUMIXGG-UHFFFAOYSA-N 1 0 367.880 4.214 50 0 FIAARO CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3[C@@H]2c2ccccc2)cc1 ZINC000004299710 570583967 /nfs/dbraw/zinc/58/39/67/570583967.db2.gz IUKCBZVVAUOCOM-SFTDATJTSA-N 1 0 350.462 4.237 50 0 FIAARO Cc1oc(C(C)(C)C)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004325005 570585111 /nfs/dbraw/zinc/58/51/11/570585111.db2.gz ZVSMRJPFRGZBAR-UHFFFAOYSA-N 1 0 354.494 4.280 50 0 FIAARO CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCC(C)CC2)c1=O ZINC000038545823 570594036 /nfs/dbraw/zinc/59/40/36/570594036.db2.gz FJUMTFRKWZVGMY-FQEVSTJZSA-N 1 0 374.912 4.357 50 0 FIAARO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000004725576 570603217 /nfs/dbraw/zinc/60/32/17/570603217.db2.gz OPFKIWVVVAIRMJ-INIZCTEOSA-N 1 0 356.897 4.429 50 0 FIAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cccc2)ccc1Cl ZINC000252570363 570623505 /nfs/dbraw/zinc/62/35/05/570623505.db2.gz WNKWXSRAMBWISV-UZLBHIALSA-N 1 0 371.912 4.125 50 0 FIAARO CC[n+]1c(C=C2SCC(=O)N2c2ccccc2)sc2ccccc21 ZINC000006791552 570654392 /nfs/dbraw/zinc/65/43/92/570654392.db2.gz BAEPYYDKRRPJDY-UHFFFAOYSA-N 1 0 353.492 4.287 50 0 FIAARO Brc1ccc(-c2csc([N-][NH+]=C3CCCCCN3)n2)cc1 ZINC000005579844 570677733 /nfs/dbraw/zinc/67/77/33/570677733.db2.gz DBDPTRVWBRNGGR-UHFFFAOYSA-N 1 0 365.300 4.462 50 0 FIAARO CSc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000011843988 570709985 /nfs/dbraw/zinc/70/99/85/570709985.db2.gz BHMMALHULVLRFI-QGZVFWFLSA-N 1 0 372.509 4.190 50 0 FIAARO CC[N@@H+](Cc1ccc(O)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011873292 570710484 /nfs/dbraw/zinc/71/04/84/570710484.db2.gz NQLJNIURVHLKPA-OAQYLSRUSA-N 1 0 370.512 4.308 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000011874613 570710819 /nfs/dbraw/zinc/71/08/19/570710819.db2.gz IZAOJCFQZIXUJE-GOSISDBHSA-N 1 0 373.589 4.079 50 0 FIAARO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000011938423 570712443 /nfs/dbraw/zinc/71/24/43/570712443.db2.gz SMBAVNPGIUKHQB-ZWPAVUJESA-N 1 0 364.489 4.330 50 0 FIAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C1CCCCC1 ZINC000011948443 570712798 /nfs/dbraw/zinc/71/27/98/570712798.db2.gz MIKBZTLKAKFARR-GOSISDBHSA-N 1 0 360.517 4.119 50 0 FIAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012020236 570714047 /nfs/dbraw/zinc/71/40/47/570714047.db2.gz NIZCCNSMRFLTIU-FIYNHDKVSA-N 1 0 369.480 4.165 50 0 FIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C)cc2)oc1C ZINC000012028445 570714606 /nfs/dbraw/zinc/71/46/06/570714606.db2.gz IUFSHACSJIEHMW-SFHVURJKSA-N 1 0 356.466 4.266 50 0 FIAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2sccc2C)c(OC)c1 ZINC000012299027 570733260 /nfs/dbraw/zinc/73/32/60/570733260.db2.gz IYCQQNQMARNERJ-UHFFFAOYSA-N 1 0 357.479 4.096 50 0 FIAARO Cc1c([C@H](C)[NH2+]Cc2cnc(N3CCCC3)s2)cnn1-c1ccccc1 ZINC000012303884 570734338 /nfs/dbraw/zinc/73/43/38/570734338.db2.gz VSMMWEHIYSLMIK-HNNXBMFYSA-N 1 0 367.522 4.088 50 0 FIAARO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C1CCCCC1 ZINC000012315492 570735779 /nfs/dbraw/zinc/73/57/79/570735779.db2.gz KTMNJDSVPARKJG-UHFFFAOYSA-N 1 0 353.388 4.444 50 0 FIAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000012372801 570739582 /nfs/dbraw/zinc/73/95/82/570739582.db2.gz NBMYQUXBBDQPSK-GOSISDBHSA-N 1 0 374.887 4.306 50 0 FIAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000012431216 570744345 /nfs/dbraw/zinc/74/43/45/570744345.db2.gz WKPNJIXECWVCDB-INIZCTEOSA-N 1 0 356.495 4.353 50 0 FIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012430017 570744411 /nfs/dbraw/zinc/74/44/11/570744411.db2.gz JPIZYHJTARMDOG-GOSISDBHSA-N 1 0 353.462 4.107 50 0 FIAARO O=C(Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1)c1ccccc1 ZINC000012432499 570744864 /nfs/dbraw/zinc/74/48/64/570744864.db2.gz TVLVVECFXOZSMT-SFHVURJKSA-N 1 0 364.493 4.129 50 0 FIAARO O=C(CCc1cccc(Cl)c1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012443482 570746138 /nfs/dbraw/zinc/74/61/38/570746138.db2.gz IOBLUXBXOGHFFW-OAQYLSRUSA-N 1 0 370.924 4.096 50 0 FIAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2scnc2c1 ZINC000012596883 570752902 /nfs/dbraw/zinc/75/29/02/570752902.db2.gz JUDQTUCTJJAANL-QGZVFWFLSA-N 1 0 357.523 4.071 50 0 FIAARO CCC[N@@H+](Cc1nc(-c2ccc(F)c(OC)c2)oc1C)C[C@@H]1CCCO1 ZINC000012595649 570752988 /nfs/dbraw/zinc/75/29/88/570752988.db2.gz DNDCGXVQHVKRES-INIZCTEOSA-N 1 0 362.445 4.189 50 0 FIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC)c2)C1 ZINC000012596777 570753079 /nfs/dbraw/zinc/75/30/79/570753079.db2.gz KWQGFFATRBRDPC-IBGZPJMESA-N 1 0 353.462 4.189 50 0 FIAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(F)c2)C1 ZINC000012596310 570753126 /nfs/dbraw/zinc/75/31/26/570753126.db2.gz FNFFVOZFZBRZQP-IBGZPJMESA-N 1 0 368.496 4.161 50 0 FIAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000004359750 570758592 /nfs/dbraw/zinc/75/85/92/570758592.db2.gz ZBILHBVMKCVLEX-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000012763550 570760418 /nfs/dbraw/zinc/76/04/18/570760418.db2.gz ZOUHLNGTXXCDOM-OAHLLOKOSA-N 1 0 358.432 4.442 50 0 FIAARO C[NH+](C)CCN(C(=O)Cc1ccccc1)c1nc2c(cccc2Cl)s1 ZINC000004478816 570795767 /nfs/dbraw/zinc/79/57/67/570795767.db2.gz KTYGSKJLZPGOFJ-UHFFFAOYSA-N 1 0 373.909 4.087 50 0 FIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2)N3)C1 ZINC000004554020 570833824 /nfs/dbraw/zinc/83/38/24/570833824.db2.gz XTRMRGJJTCELAK-JJEJIETFSA-N 1 0 353.491 4.284 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)c(OC)c1 ZINC000032906827 570844502 /nfs/dbraw/zinc/84/45/02/570844502.db2.gz BUCVHRHBRHOFOU-RBUKOAKNSA-N 1 0 361.869 4.228 50 0 FIAARO Cc1[nH]c2c(cccc2C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000024556042 570854378 /nfs/dbraw/zinc/85/43/78/570854378.db2.gz CISIHSWHAQLLCK-NRFANRHFSA-N 1 0 361.489 4.352 50 0 FIAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000047719678 570929867 /nfs/dbraw/zinc/92/98/67/570929867.db2.gz AONPLAZNOLEUHQ-UHFFFAOYSA-N 1 0 361.283 4.478 50 0 FIAARO CC(C)/C=C/C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022851596 570951725 /nfs/dbraw/zinc/95/17/25/570951725.db2.gz YLIOUZRUKBDZNO-KOXUSJRISA-N 1 0 361.961 4.139 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025252377 570993230 /nfs/dbraw/zinc/99/32/30/570993230.db2.gz ARMZZMRBMSNERX-QAPCUYQASA-N 1 0 374.937 4.211 50 0 FIAARO O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025361178 570995040 /nfs/dbraw/zinc/99/50/40/570995040.db2.gz ZPPXUEJCBYXXMF-HXUWFJFHSA-N 1 0 366.436 4.039 50 0 FIAARO O=C(c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1)N1CCCC1 ZINC000025652702 570998817 /nfs/dbraw/zinc/99/88/17/570998817.db2.gz SUFLRIPHPCYZMR-OAQYLSRUSA-N 1 0 352.453 4.399 50 0 FIAARO O=C(NC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000025829761 571001069 /nfs/dbraw/zinc/00/10/69/571001069.db2.gz ZPHCMOZGOBQBCE-UHFFFAOYSA-N 1 0 372.896 4.003 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1csc2c1CCCC2 ZINC000027140177 571010732 /nfs/dbraw/zinc/01/07/32/571010732.db2.gz ZLCVKTASACTWQG-UHFFFAOYSA-N 1 0 354.519 4.153 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1)c1ccccc1Cl ZINC000027580407 571013878 /nfs/dbraw/zinc/01/38/78/571013878.db2.gz KJZITPZPIUPOON-LJQANCHMSA-N 1 0 360.885 4.162 50 0 biogenic FIAARO CCc1ccc(CCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027605235 571015990 /nfs/dbraw/zinc/01/59/90/571015990.db2.gz ZXRGKYNLZVYHQH-IBGZPJMESA-N 1 0 356.535 4.196 50 0 FIAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1 ZINC000027662143 571016900 /nfs/dbraw/zinc/01/69/00/571016900.db2.gz VVHNVGPCXIBMLI-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 FIAARO Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000027793122 571021178 /nfs/dbraw/zinc/02/11/78/571021178.db2.gz IEECWSIWYGLTPR-GAWOJFTKSA-N 1 0 366.549 4.465 50 0 FIAARO COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCC3)cc1 ZINC000027788734 571021236 /nfs/dbraw/zinc/02/12/36/571021236.db2.gz NHWDLEKTDXQXDQ-UHFFFAOYSA-N 1 0 371.407 4.378 50 0 FIAARO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc2ccccc21 ZINC000027938740 571022976 /nfs/dbraw/zinc/02/29/76/571022976.db2.gz BTQGBMYNQGZVOI-UHFFFAOYSA-N 1 0 358.485 4.277 50 0 in-vivo FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028070038 571026747 /nfs/dbraw/zinc/02/67/47/571026747.db2.gz RDRVCMMBKJGTQB-UHFFFAOYSA-N 1 0 359.901 4.048 50 0 FIAARO Cc1ccccc1C(OC[C@H](O)C[NH+]1CCCCC1)c1ccccc1C ZINC000028218120 571027652 /nfs/dbraw/zinc/02/76/52/571027652.db2.gz JEARJGSPZSIKAY-HXUWFJFHSA-N 1 0 353.506 4.256 50 0 FIAARO CCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000028291555 571030383 /nfs/dbraw/zinc/03/03/83/571030383.db2.gz FKIDMQCQPJDTNT-IBGZPJMESA-N 1 0 372.534 4.350 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3F)s2)N1 ZINC000028511596 571032886 /nfs/dbraw/zinc/03/28/86/571032886.db2.gz WPPUGRHWZWVMPV-QGZVFWFLSA-N 1 0 363.421 4.401 50 0 FIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC2CCCC2)cc1 ZINC000029320712 571038429 /nfs/dbraw/zinc/03/84/29/571038429.db2.gz YIRBNPYAEUQVLJ-UHFFFAOYSA-N 1 0 351.494 4.157 50 0 FIAARO C[N@@H+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000008326078 571040277 /nfs/dbraw/zinc/04/02/77/571040277.db2.gz PEBFQZHOUXRNCQ-KRWDZBQOSA-N 1 0 372.394 4.142 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)nc2ccccc21)c1cccc(F)c1 ZINC000029837177 571044152 /nfs/dbraw/zinc/04/41/52/571044152.db2.gz YATPVRSDSYEVQX-GOSISDBHSA-N 1 0 371.843 4.060 50 0 FIAARO CCCC[N@H+](CC)CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000008603628 571052364 /nfs/dbraw/zinc/05/23/64/571052364.db2.gz GLBAGIISPIPLIA-UHFFFAOYSA-N 1 0 373.888 4.472 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717207 571056924 /nfs/dbraw/zinc/05/69/24/571056924.db2.gz SKQUUCMEJLDJKL-AWEZNQCLSA-N 1 0 356.466 4.190 50 0 FIAARO CC(C)[C@H](C(=O)Nc1ccccc1OCC[NH+]1CCCCC1)n1cccc1 ZINC000263587000 571057174 /nfs/dbraw/zinc/05/71/74/571057174.db2.gz AXSFHHLBFJIVLX-OAQYLSRUSA-N 1 0 369.509 4.189 50 0 FIAARO O=c1c2ccc(Cl)cc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032533033 571058159 /nfs/dbraw/zinc/05/81/59/571058159.db2.gz FBVZRKBZDRXASV-QGZVFWFLSA-N 1 0 359.901 4.237 50 0 FIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000023282499 571073237 /nfs/dbraw/zinc/07/32/37/571073237.db2.gz GZHDMYUUVJZBHK-MRXNPFEDSA-N 1 0 374.912 4.110 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000034801133 571074614 /nfs/dbraw/zinc/07/46/14/571074614.db2.gz CQONTXQPANSLNX-DYESRHJHSA-N 1 0 352.478 4.052 50 0 FIAARO Cc1nc2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2s1 ZINC000040103266 571076192 /nfs/dbraw/zinc/07/61/92/571076192.db2.gz RPZWNGPZAMTDSE-CQSZACIVSA-N 1 0 360.508 4.091 50 0 FIAARO Cc1ccccc1OCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000040119457 571080004 /nfs/dbraw/zinc/08/00/04/571080004.db2.gz QVDLEKWLYDDOLN-SFHVURJKSA-N 1 0 352.478 4.387 50 0 FIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c(OC)c1C ZINC000039408735 571089397 /nfs/dbraw/zinc/08/93/97/571089397.db2.gz JQFCOOTXXMFMNX-IRLDBZIGSA-N 1 0 372.553 4.241 50 0 FIAARO c1ccc(COc2cc(OCc3ccccc3)cc([C@@H]3C[NH2+]CCN3)c2)cc1 ZINC000039934044 571089741 /nfs/dbraw/zinc/08/97/41/571089741.db2.gz PTOZVTYHZYBFAI-DEOSSOPVSA-N 1 0 374.484 4.079 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012770890 571090961 /nfs/dbraw/zinc/09/09/61/571090961.db2.gz IHOZVOBZJYBCHS-LJQANCHMSA-N 1 0 365.429 4.153 50 0 FIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000012772310 571091752 /nfs/dbraw/zinc/09/17/52/571091752.db2.gz GJSGERRNVOZAEL-HNNXBMFYSA-N 1 0 358.432 4.442 50 0 FIAARO CC1CCC([N@H+](C)Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000012772980 571092530 /nfs/dbraw/zinc/09/25/30/571092530.db2.gz PPMOXYGAAMDVPP-UHFFFAOYSA-N 1 0 357.479 4.255 50 0 FIAARO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012778765 571097355 /nfs/dbraw/zinc/09/73/55/571097355.db2.gz DDQAODLITQYTBY-KRWDZBQOSA-N 1 0 352.478 4.172 50 0 FIAARO C[C@H](C(=O)Nc1cccnc1SCC[NH+]1CCCCC1)c1ccccc1 ZINC000040455679 571098327 /nfs/dbraw/zinc/09/83/27/571098327.db2.gz RWFAUFCOAUMDJZ-KRWDZBQOSA-N 1 0 369.534 4.402 50 0 FIAARO CC[NH+](CC)Cc1c(C(C)=O)c2cc(O)ccc2n1-c1ccc(OC)cc1 ZINC000045028192 571105861 /nfs/dbraw/zinc/10/58/61/571105861.db2.gz SYEXQSFLMKLIJL-UHFFFAOYSA-N 1 0 366.461 4.389 50 0 FIAARO Fc1ccc(/C=C/C[NH2+]Cc2cccnc2-n2cnc3ccccc32)cc1 ZINC000055212104 571117918 /nfs/dbraw/zinc/11/79/18/571117918.db2.gz PPMBTZBRLTVAKU-HWKANZROSA-N 1 0 358.420 4.363 50 0 FIAARO Cc1[nH]c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2c1C ZINC000009865222 571120089 /nfs/dbraw/zinc/12/00/89/571120089.db2.gz JPEMTNGLFWCGMT-UHFFFAOYSA-N 1 0 361.489 4.311 50 0 FIAARO CSc1nnc(CC2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)n1C ZINC000055385800 571120301 /nfs/dbraw/zinc/12/03/01/571120301.db2.gz CTPUDZNWUKLPFH-UHFFFAOYSA-N 1 0 372.582 4.289 50 0 FIAARO C[N@H+](Cc1ccccc1CNC(=O)c1ccc[nH]c1=S)C1CCCCC1 ZINC000058162693 571126404 /nfs/dbraw/zinc/12/64/04/571126404.db2.gz GUCMZDVULVBHRP-UHFFFAOYSA-N 1 0 369.534 4.065 50 0 FIAARO COc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1OC ZINC000058163577 571126674 /nfs/dbraw/zinc/12/66/74/571126674.db2.gz SHOFZMLAJCVYQZ-UHFFFAOYSA-N 1 0 368.408 4.320 50 0 FIAARO Cc1c(C[N@H+](C)Cc2cccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000060178747 571136324 /nfs/dbraw/zinc/13/63/24/571136324.db2.gz FRWOAKHCPOHUKF-UHFFFAOYSA-N 1 0 371.484 4.270 50 0 FIAARO Cc1cc(OCC[NH+]2CCN(c3ccccc3O)CC2)ccc1C(C)C ZINC000084090073 571139345 /nfs/dbraw/zinc/13/93/45/571139345.db2.gz DXMCCUPEFPXHNK-UHFFFAOYSA-N 1 0 354.494 4.025 50 0 FIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc(O)c4)C3)C2)c1 ZINC000055118732 571144953 /nfs/dbraw/zinc/14/49/53/571144953.db2.gz AZPAYJMLFAYWNS-HSZRJFAPSA-N 1 0 350.506 4.189 50 0 FIAARO CC[NH+]1CCC(N2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)CC1 ZINC000067820965 571150142 /nfs/dbraw/zinc/15/01/42/571150142.db2.gz CHIWUALQEBJJPD-UHFFFAOYSA-N 1 0 372.534 4.108 50 0 FIAARO COc1ccc(N2C3=CCCC[N@@H+]3[C@H](C)[C@@]2(O)c2ccc(Cl)cc2)cc1 ZINC000075250297 571158225 /nfs/dbraw/zinc/15/82/25/571158225.db2.gz QNWWEDYZVJFMCR-QVKFZJNVSA-N 1 0 370.880 4.340 50 0 FIAARO Cc1cc(C)c(OCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)c1 ZINC000006280417 571169965 /nfs/dbraw/zinc/16/99/65/571169965.db2.gz HIVQKLQVCIXXRN-UHFFFAOYSA-N 1 0 372.553 4.296 50 0 FIAARO c1ccc([C@H]2C[N@@H+](Cc3cccc4cnccc43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072127117 571170745 /nfs/dbraw/zinc/17/07/45/571170745.db2.gz RCKDEFQAUABPKN-UBFVSLLYSA-N 1 0 369.512 4.297 50 0 FIAARO COc1ccnc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)c1OC ZINC000072160961 571175620 /nfs/dbraw/zinc/17/56/20/571175620.db2.gz WEIPOJQCTJSHQY-INIZCTEOSA-N 1 0 358.457 4.083 50 0 FIAARO c1cn(CCOc2ccccc2C[N@@H+]2CCCC[C@H]2c2ccccn2)cn1 ZINC000072166442 571176743 /nfs/dbraw/zinc/17/67/43/571176743.db2.gz SHFUUFJBDGCHHJ-NRFANRHFSA-N 1 0 362.477 4.084 50 0 FIAARO O=C(Nc1cccc(F)c1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483575 571189048 /nfs/dbraw/zinc/18/90/48/571189048.db2.gz ZDLRHAATCCKADI-UHFFFAOYSA-N 1 0 369.465 4.108 50 0 FIAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)CCCO)c(C)s1 ZINC000072431296 571195673 /nfs/dbraw/zinc/19/56/73/571195673.db2.gz STXIKRDICBIOIA-UHFFFAOYSA-N 1 0 373.497 4.171 50 0 FIAARO Cc1ccc(C)c(-n2cc(CN3CC[N@H+](C)[C@H](C)C3)c(-c3ccccc3)n2)c1 ZINC000072475830 571198866 /nfs/dbraw/zinc/19/88/66/571198866.db2.gz IOUZZXSLCQBFHL-HXUWFJFHSA-N 1 0 374.532 4.292 50 0 FIAARO CC[NH+](CC)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072475925 571199197 /nfs/dbraw/zinc/19/91/97/571199197.db2.gz HXYPAYROLXYSGW-UHFFFAOYSA-N 1 0 363.461 4.169 50 0 FIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000075582650 571203407 /nfs/dbraw/zinc/20/34/07/571203407.db2.gz SEJCTCRAOKTBGY-UHFFFAOYSA-N 1 0 350.249 4.211 50 0 FIAARO CN(CC[NH+]1CCCCCC1)C(=O)N[C@H](CC(C)(C)C)c1cccnc1 ZINC000534636221 571207066 /nfs/dbraw/zinc/20/70/66/571207066.db2.gz OWJDCMBIEMXLHW-LJQANCHMSA-N 1 0 360.546 4.076 50 0 FIAARO CC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccc(C[NH+]3CCCC3)cn2)c1 ZINC000534649942 571207470 /nfs/dbraw/zinc/20/74/70/571207470.db2.gz OBLXQFLDVAJODB-OAQYLSRUSA-N 1 0 361.489 4.135 50 0 FIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358245 571208971 /nfs/dbraw/zinc/20/89/71/571208971.db2.gz OFGZIBZGESEQAA-SFHVURJKSA-N 1 0 367.522 4.155 50 0 FIAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000077407150 571210535 /nfs/dbraw/zinc/21/05/35/571210535.db2.gz WEGNTVJVVKRRQG-UHFFFAOYSA-N 1 0 363.461 4.171 50 0 FIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(F)cc2F)cc1 ZINC000077537005 571214910 /nfs/dbraw/zinc/21/49/10/571214910.db2.gz BNOZNTMADBHCDD-HXUWFJFHSA-N 1 0 358.432 4.394 50 0 FIAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccc(-c2ccccc2O)cc1 ZINC000426382795 571217635 /nfs/dbraw/zinc/21/76/35/571217635.db2.gz QQQNGJRSKGKEEQ-UHFFFAOYSA-N 1 0 352.478 4.006 50 0 FIAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccsc3)C2)CN1CCc1ccccc1 ZINC000082083675 571227712 /nfs/dbraw/zinc/22/77/12/571227712.db2.gz CPCUBWWUSRLTPF-QFIPXVFZSA-N 1 0 368.546 4.195 50 0 FIAARO Cc1c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)[nH]c2ccc(C)cc12 ZINC000082162135 571229531 /nfs/dbraw/zinc/22/95/31/571229531.db2.gz WXNTZOHCWSUYKF-UHFFFAOYSA-N 1 0 374.488 4.184 50 0 FIAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C1 ZINC000091468402 571239853 /nfs/dbraw/zinc/23/98/53/571239853.db2.gz COIVOYXVEGUSOB-CQSZACIVSA-N 1 0 355.379 4.441 50 0 FIAARO COc1ccc2c(C)c(C(=O)N[C@@H](CC[NH+](C)C)c3ccccc3)oc2c1 ZINC000091459771 571239906 /nfs/dbraw/zinc/23/99/06/571239906.db2.gz GUNCBEKTBQYMDD-IBGZPJMESA-N 1 0 366.461 4.173 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036079712 571240370 /nfs/dbraw/zinc/24/03/70/571240370.db2.gz VNRXOYIJPVDCSI-FCSDKFEESA-N 1 0 352.522 4.156 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)o1 ZINC000036097652 571241095 /nfs/dbraw/zinc/24/10/95/571241095.db2.gz NOHLZKRDZMBTRC-JOCHJYFZSA-N 1 0 365.473 4.168 50 0 FIAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COc1ccccc1C ZINC000036096219 571241418 /nfs/dbraw/zinc/24/14/18/571241418.db2.gz GLHZCQMLFZGENN-OAQYLSRUSA-N 1 0 371.521 4.292 50 0 FIAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103503 571242263 /nfs/dbraw/zinc/24/22/63/571242263.db2.gz YNOAYDWAHUXGLE-LJQANCHMSA-N 1 0 371.477 4.329 50 0 FIAARO CC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145968 571243479 /nfs/dbraw/zinc/24/34/79/571243479.db2.gz OIQOQOYLAIGATN-PMACEKPBSA-N 1 0 372.896 4.106 50 0 FIAARO Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c2ccccc2)cc1 ZINC000007002926 571256957 /nfs/dbraw/zinc/25/69/57/571256957.db2.gz XZUPZSNPYHGUPL-AJSBUHFISA-N 1 0 353.506 4.336 50 0 FIAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000042340569 571270122 /nfs/dbraw/zinc/27/01/22/571270122.db2.gz NPVOLPQSGGFECB-CXAGYDPISA-N 1 0 350.915 4.393 50 0 FIAARO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCSCC2)c1 ZINC000089981124 571274634 /nfs/dbraw/zinc/27/46/34/571274634.db2.gz ARGRRCUDVOSMQZ-FQEVSTJZSA-N 1 0 354.519 4.422 50 0 FIAARO Fc1ccc(Oc2cc(N3CCC([NH+]4CCCCC4)CC3)ncn2)c(F)c1 ZINC000037376925 571279638 /nfs/dbraw/zinc/27/96/38/571279638.db2.gz KDGMAOWAMHIBKE-UHFFFAOYSA-N 1 0 374.435 4.002 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)cc1 ZINC000007828811 571290055 /nfs/dbraw/zinc/29/00/55/571290055.db2.gz JQDZWZVQXPQXNB-UHFFFAOYSA-N 1 0 355.526 4.458 50 0 FIAARO O=C(NCCCOC1CCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044851319 571308684 /nfs/dbraw/zinc/30/86/84/571308684.db2.gz AQYXYLUUUAWPIU-UHFFFAOYSA-N 1 0 358.526 4.142 50 0 FIAARO Cc1cc(C)cc(-c2ccc(C[NH2+]CCC(=O)NCc3ccccn3)cc2)c1 ZINC000253420430 571312850 /nfs/dbraw/zinc/31/28/50/571312850.db2.gz XCCJXDXODWWLAU-UHFFFAOYSA-N 1 0 373.500 4.162 50 0 FIAARO C[N@@H+]1CCC[C@H]1CCn1cnc2scc(-c3ccccc3Cl)c2c1=O ZINC000584891418 571314671 /nfs/dbraw/zinc/31/46/71/571314671.db2.gz FXGALDOUSJZXPR-ZDUSSCGKSA-N 1 0 373.909 4.263 50 0 FIAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000095381627 571329140 /nfs/dbraw/zinc/32/91/40/571329140.db2.gz YFQWPNVFECATEP-RBUKOAKNSA-N 1 0 369.534 4.176 50 0 FIAARO CN(Cc1ccccc1F)C(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000095468507 571330562 /nfs/dbraw/zinc/33/05/62/571330562.db2.gz DKWFKDQHABVFBF-FQEVSTJZSA-N 1 0 360.860 4.178 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 ZINC000095938979 571332347 /nfs/dbraw/zinc/33/23/47/571332347.db2.gz FZLHDOSZKRYBFT-KRWDZBQOSA-N 1 0 363.421 4.000 50 0 FIAARO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000095983708 571333369 /nfs/dbraw/zinc/33/33/69/571333369.db2.gz WZWRUHLLHMZFMJ-YLJYHZDGSA-N 1 0 367.468 4.228 50 0 FIAARO CC[NH+](CC)CCn1cc(N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 ZINC000095992462 571333528 /nfs/dbraw/zinc/33/35/28/571333528.db2.gz URXYDFFNBHCXHH-GFCCVEGCSA-N 1 0 370.328 4.287 50 0 FIAARO O=C(c1cccc2ccccc21)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687039 571337877 /nfs/dbraw/zinc/33/78/77/571337877.db2.gz DQUUMPGFUOQWDW-OAQYLSRUSA-N 1 0 356.469 4.113 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccccn2)c1 ZINC000003025918 571343648 /nfs/dbraw/zinc/34/36/48/571343648.db2.gz QMABOEAXTGCWFO-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO COc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000230146495 571344445 /nfs/dbraw/zinc/34/44/45/571344445.db2.gz SUDWFVNSRVJNFN-JKSUJKDBSA-N 1 0 371.477 4.272 50 0 FIAARO COc1ccc([C@H](C[NH2+]Cc2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000057681689 571345076 /nfs/dbraw/zinc/34/50/76/571345076.db2.gz DIRSBWQZOKHBAY-FQEVSTJZSA-N 1 0 362.876 4.414 50 0 FIAARO Cc1c(CCOC(=O)c2ccc(C)cc2)sc[n+]1Cc1ccccc1 ZINC000003176583 571345213 /nfs/dbraw/zinc/34/52/13/571345213.db2.gz BFFMSUPUVHDNRR-UHFFFAOYSA-N 1 0 352.479 4.100 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000003419924 571349370 /nfs/dbraw/zinc/34/93/70/571349370.db2.gz ZSIJVZCIGVHLMU-QHCPKHFHSA-N 1 0 374.484 4.298 50 0 FIAARO Cc1sc2ncn([C@@H]3CC[C@@H]([NH3+])C3)c(=O)c2c1-c1cc(C)ccc1C ZINC000670449774 571352318 /nfs/dbraw/zinc/35/23/18/571352318.db2.gz MMFTYQOTZXCGAO-HUUCEWRRSA-N 1 0 353.491 4.103 50 0 FIAARO COc1ccc2cc([C@@H](C)NC(=O)C3([NH+]4CCCC4)CCCC3)ccc2c1 ZINC000670453154 571352870 /nfs/dbraw/zinc/35/28/70/571352870.db2.gz LIGXRINZDPYVGK-QGZVFWFLSA-N 1 0 366.505 4.434 50 0 FIAARO CC[NH+](CC)CCCNC(=O)C[C@H](CCC(C)C)[C@H]1CCOC(C)(C)C1 ZINC000004086212 571354985 /nfs/dbraw/zinc/35/49/85/571354985.db2.gz OVLXPNIOIDLIFE-PMACEKPBSA-N 1 0 368.606 4.482 50 0 biogenic FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(-n2cccc2)c1 ZINC000008131928 571359267 /nfs/dbraw/zinc/35/92/67/571359267.db2.gz QHHNWUYAVHZQPM-UHFFFAOYSA-N 1 0 359.473 4.003 50 0 FIAARO Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177614323 1081255081 /nfs/dbraw/zinc/25/50/81/1081255081.db2.gz LQNAQAWWMLKVAV-CQSZACIVSA-N 1 0 352.425 4.190 50 0 FIAARO c1nc(-c2ccc(N3CCC([NH2+]CCc4cccnc4)CC3)cc2)cs1 ZINC000023478397 1084364121 /nfs/dbraw/zinc/36/41/21/1084364121.db2.gz NWYIVHLGIJVJCI-UHFFFAOYSA-N 1 0 364.518 4.006 50 0 FIAARO Fc1cnccc1C[N@@H+]1CC2(C[C@H]1COc1ccncc1)CCCCC2 ZINC000257187664 1090306798 /nfs/dbraw/zinc/30/67/98/1090306798.db2.gz CAGAWNMRAZEAPH-SFHVURJKSA-N 1 0 355.457 4.220 50 0 FIAARO Cc1ccc(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c(Cl)c1 ZINC000225415363 1115166124 /nfs/dbraw/zinc/16/61/24/1115166124.db2.gz KSWJJBZSOXCNMJ-YRNVUSSQSA-N 1 0 358.869 4.241 50 0 FIAARO CC(C)(C)CC[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)N2CCCC2)C1 ZINC000169765181 1115681542 /nfs/dbraw/zinc/68/15/42/1115681542.db2.gz PLWJGUPGMRUWJP-LJQANCHMSA-N 1 0 372.553 4.450 50 0 FIAARO C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 ZINC000173251474 1116045531 /nfs/dbraw/zinc/04/55/31/1116045531.db2.gz DXSOBOHPNHAKMQ-UHFFFAOYSA-N 1 0 354.494 4.410 50 0 FIAARO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000753333 219318245 /nfs/dbraw/zinc/31/82/45/219318245.db2.gz BTTVNTIBAFEWEV-FQEVSTJZSA-N 1 0 359.897 4.034 50 0 FIAARO O[C@@H](COC[C@@H]1CC=CCC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000000795277 219323060 /nfs/dbraw/zinc/32/30/60/219323060.db2.gz YNYFYZRFYNNBDF-DNQXCXABSA-N 1 0 365.517 4.423 50 0 FIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000000952835 219346934 /nfs/dbraw/zinc/34/69/34/219346934.db2.gz VRBQPTMQKGAGKO-UHFFFAOYSA-N 1 0 364.401 4.250 50 0 FIAARO COc1ccc(OC[C@@H](O)C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000001294375 219394118 /nfs/dbraw/zinc/39/41/18/219394118.db2.gz WXTZMELYAQDTBY-FQEVSTJZSA-N 1 0 361.526 4.402 50 0 FIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(OC)cc3)nc21 ZINC000001303450 219394341 /nfs/dbraw/zinc/39/43/41/219394341.db2.gz LJJBSNKOALXSJR-UHFFFAOYSA-N 1 0 362.477 4.306 50 0 FIAARO O=C1C[C@H]([C@H]2CCCC[N@H+]2CCCCc2cccc(C(F)(F)F)c2)CN1 ZINC000225408659 222839138 /nfs/dbraw/zinc/83/91/38/222839138.db2.gz URJRLVCQLWPCSP-FUHWJXTLSA-N 1 0 368.443 4.019 50 0 FIAARO Clc1cccc(-n2ncc3c2ncnc3SCC[NH+]2CCCCC2)c1 ZINC000004341709 219567881 /nfs/dbraw/zinc/56/78/81/219567881.db2.gz OYQMXNNVCZGEER-UHFFFAOYSA-N 1 0 373.913 4.047 50 0 FIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c1 ZINC000004678535 219594297 /nfs/dbraw/zinc/59/42/97/219594297.db2.gz OREBUXYTWWFVFG-UHFFFAOYSA-N 1 0 357.841 4.370 50 0 FIAARO CC[NH+](CC)CCn1nc(/C=C/c2ccccc2)nc1-c1ccccc1O ZINC000005274144 219668141 /nfs/dbraw/zinc/66/81/41/219668141.db2.gz DYYAJJKMDJAUHG-CCEZHUSRSA-N 1 0 362.477 4.163 50 0 FIAARO CCCC[NH+](CCCC)CCn1cnc2c3cc(C)ccc3[nH]c2c1=O ZINC000006809319 219773248 /nfs/dbraw/zinc/77/32/48/219773248.db2.gz GHRUOONIRNEXIG-UHFFFAOYSA-N 1 0 354.498 4.088 50 0 FIAARO Cc1cc(C)c(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000299770389 223089589 /nfs/dbraw/zinc/08/95/89/223089589.db2.gz SSYPJFVRGJCTRK-UHFFFAOYSA-N 1 0 372.900 4.138 50 0 FIAARO O=C(c1cccc(-c2ccc(Cl)cn2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000299797954 223101867 /nfs/dbraw/zinc/10/18/67/223101867.db2.gz TZZUOQOSKIAGCL-UHFFFAOYSA-N 1 0 369.896 4.102 50 0 FIAARO O=C(c1ccccc1OC1CC[NH+](CC2CCCC2)CC1)N1CCCCC1 ZINC000012073871 219951001 /nfs/dbraw/zinc/95/10/01/219951001.db2.gz WILISKJJICUWBV-UHFFFAOYSA-N 1 0 370.537 4.346 50 0 FIAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000012586492 220009492 /nfs/dbraw/zinc/00/94/92/220009492.db2.gz KCHYIIKWKABKEU-FQEVSTJZSA-N 1 0 350.441 4.088 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000012591140 220010544 /nfs/dbraw/zinc/01/05/44/220010544.db2.gz WAVZXGONCMYUQN-JOCHJYFZSA-N 1 0 350.506 4.132 50 0 FIAARO COC[C@@H](C)[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012596464 220011915 /nfs/dbraw/zinc/01/19/15/220011915.db2.gz JCKSTUXOVDRUFN-CQSZACIVSA-N 1 0 373.859 4.456 50 0 FIAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1ccccc1-c1ccco1)C2 ZINC000012597799 220011954 /nfs/dbraw/zinc/01/19/54/220011954.db2.gz UDOWUZCQDJIZGI-QHCPKHFHSA-N 1 0 364.489 4.171 50 0 FIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1Cl ZINC000012677313 220016556 /nfs/dbraw/zinc/01/65/56/220016556.db2.gz NYDXVNLXYTXEJP-BFUOFWGJSA-N 1 0 358.869 4.417 50 0 FIAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2cccc(-c3cscn3)c2)CC1 ZINC000012703190 220017759 /nfs/dbraw/zinc/01/77/59/220017759.db2.gz MDDXOFVPJVHHFD-UHFFFAOYSA-N 1 0 355.507 4.427 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000012748690 220023275 /nfs/dbraw/zinc/02/32/75/220023275.db2.gz PNVYJGYCYOXINF-UHFFFAOYSA-N 1 0 367.489 4.083 50 0 FIAARO Clc1ccc(-c2noc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)n2)cc1 ZINC000012762421 220026154 /nfs/dbraw/zinc/02/61/54/220026154.db2.gz UPIHPMIQZXAUMQ-KRWDZBQOSA-N 1 0 361.873 4.171 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000012894005 220040078 /nfs/dbraw/zinc/04/00/78/220040078.db2.gz AJNNNDIHDQSGFJ-KKSFZXQISA-N 1 0 370.468 4.239 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000013011256 220054134 /nfs/dbraw/zinc/05/41/34/220054134.db2.gz WIVFTZNWYHXPMG-FQEVSTJZSA-N 1 0 350.487 4.448 50 0 FIAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000013553172 220073802 /nfs/dbraw/zinc/07/38/02/220073802.db2.gz DUUJPLJVPGJYKB-UHFFFAOYSA-N 1 0 353.359 4.328 50 0 FIAARO S=C(Nc1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000013692825 220087016 /nfs/dbraw/zinc/08/70/16/220087016.db2.gz PAMCBECJVPIRPN-HNNXBMFYSA-N 1 0 351.947 4.377 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000014084169 220105129 /nfs/dbraw/zinc/10/51/29/220105129.db2.gz YNOQSVHOEIIQQC-UHFFFAOYSA-N 1 0 362.395 4.100 50 0 FIAARO C[C@@H]([NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc21 ZINC000014157445 220111107 /nfs/dbraw/zinc/11/11/07/220111107.db2.gz CZDZLNZAPGIGON-JPYJTQIMSA-N 1 0 374.484 4.091 50 0 FIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCC2=CCCCC2)c1 ZINC000014884270 220135597 /nfs/dbraw/zinc/13/55/97/220135597.db2.gz QJNAKVYBGZFUKO-HXUWFJFHSA-N 1 0 356.510 4.056 50 0 FIAARO Oc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000014958696 220137012 /nfs/dbraw/zinc/13/70/12/220137012.db2.gz RILFUQFOZRUPKN-XMMPIXPASA-N 1 0 364.533 4.313 50 0 FIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000014964494 220137396 /nfs/dbraw/zinc/13/73/96/220137396.db2.gz ZWHASPPUEWKRHS-QGZVFWFLSA-N 1 0 367.942 4.033 50 0 FIAARO Cc1nonc1CN(C)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000015061657 220142479 /nfs/dbraw/zinc/14/24/79/220142479.db2.gz YDUBRNMULURWQG-UHFFFAOYSA-N 1 0 359.433 4.067 50 0 FIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000014964044 220137707 /nfs/dbraw/zinc/13/77/07/220137707.db2.gz NIBCXBHAWWBXIK-NRFANRHFSA-N 1 0 368.452 4.075 50 0 FIAARO Cc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)oc1C ZINC000014977107 220138518 /nfs/dbraw/zinc/13/85/18/220138518.db2.gz JEOFZUOGCJZVLT-QFIPXVFZSA-N 1 0 370.468 4.050 50 0 FIAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000014978290 220138523 /nfs/dbraw/zinc/13/85/23/220138523.db2.gz BQUMPROKJFYPNI-SFHVURJKSA-N 1 0 369.509 4.432 50 0 FIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000014974594 220138998 /nfs/dbraw/zinc/13/89/98/220138998.db2.gz UPVKUTYXLSEWFS-HNNXBMFYSA-N 1 0 362.445 4.189 50 0 FIAARO c1c2c(cc3nc(N4CCCC4)c(C[NH2+]C4CCCCCC4)cc13)OCO2 ZINC000014995759 220139656 /nfs/dbraw/zinc/13/96/56/220139656.db2.gz UHVIOKDPOAFVBC-UHFFFAOYSA-N 1 0 367.493 4.376 50 0 FIAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cccnc2)C1 ZINC000015077408 220146686 /nfs/dbraw/zinc/14/66/86/220146686.db2.gz WQVPLCHQKRVVFR-OAQYLSRUSA-N 1 0 372.896 4.123 50 0 FIAARO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1cccs1 ZINC000015083801 220147256 /nfs/dbraw/zinc/14/72/56/220147256.db2.gz ITFVFUULKMTVSG-UHFFFAOYSA-N 1 0 354.475 4.411 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(C)cc2C)cc1 ZINC000015300706 220151131 /nfs/dbraw/zinc/15/11/31/220151131.db2.gz ARXYRURWNPXBGV-JOCHJYFZSA-N 1 0 366.505 4.108 50 0 FIAARO Clc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000015566006 220155718 /nfs/dbraw/zinc/15/57/18/220155718.db2.gz KVOUAMYOYOGHTG-UHFFFAOYSA-N 1 0 354.631 4.121 50 0 FIAARO Cc1cc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc(C)c1OC(F)F ZINC000015581089 220156056 /nfs/dbraw/zinc/15/60/56/220156056.db2.gz XSNJGNGSMLFMJQ-UHFFFAOYSA-N 1 0 374.431 4.321 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000015831715 220166261 /nfs/dbraw/zinc/16/62/61/220166261.db2.gz ORLLOUDATQRVKN-SFHVURJKSA-N 1 0 371.912 4.335 50 0 FIAARO CC1CC[NH+](Cc2nc3cc(NC(=O)c4cccs4)ccc3n2C)CC1 ZINC000016625543 220189234 /nfs/dbraw/zinc/18/92/34/220189234.db2.gz DQZWVKOEQLYYTJ-UHFFFAOYSA-N 1 0 368.506 4.119 50 0 FIAARO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606939 220187531 /nfs/dbraw/zinc/18/75/31/220187531.db2.gz CLLBNCUUPSQIMP-UHFFFAOYSA-N 1 0 370.924 4.301 50 0 FIAARO Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016622373 220188505 /nfs/dbraw/zinc/18/85/05/220188505.db2.gz USQGOMVIJWFYSW-UHFFFAOYSA-N 1 0 355.457 4.168 50 0 FIAARO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000019222690 220241945 /nfs/dbraw/zinc/24/19/45/220241945.db2.gz MKQONBCCQJGUGS-KRWDZBQOSA-N 1 0 372.534 4.209 50 0 FIAARO CCOCCN1CC[NH+]([C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000019369493 220253854 /nfs/dbraw/zinc/25/38/54/220253854.db2.gz ZGIUFOVBQWVHDX-JOCHJYFZSA-N 1 0 368.546 4.036 50 0 FIAARO COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C ZINC000019537257 220269219 /nfs/dbraw/zinc/26/92/19/220269219.db2.gz BOXNCSYIYKPQBE-JXMROGBWSA-N 1 0 350.506 4.143 50 0 FIAARO Cc1ccc(C[NH+]2CCN(Cc3ccccc3Br)CC2)cc1 ZINC000019781686 220295936 /nfs/dbraw/zinc/29/59/36/220295936.db2.gz PISZBFXNNQEKBF-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO CC(C)c1ccc2c(c1)[C@@H]([NH+]1CCN(C)CC1)Cc1cccnc1S2 ZINC000019802361 220299130 /nfs/dbraw/zinc/29/91/30/220299130.db2.gz QPQJZKXMKKTUNP-IBGZPJMESA-N 1 0 353.535 4.201 50 0 FIAARO Cc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1C ZINC000021148726 220353435 /nfs/dbraw/zinc/35/34/35/220353435.db2.gz NZLHDQQLDRFMLW-OAQYLSRUSA-N 1 0 372.553 4.329 50 0 FIAARO Brc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)s1 ZINC000021014941 220348405 /nfs/dbraw/zinc/34/84/05/220348405.db2.gz UEEZENKLDYPOOQ-CYBMUJFWSA-N 1 0 355.301 4.030 50 0 FIAARO Cc1csc2nc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)cc(=O)n12 ZINC000021102290 220351162 /nfs/dbraw/zinc/35/11/62/220351162.db2.gz GUHBQTXHLRFEMU-UHFFFAOYSA-N 1 0 355.507 4.031 50 0 FIAARO CC1CC[NH+](CC2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000021718091 220364504 /nfs/dbraw/zinc/36/45/04/220364504.db2.gz KLUKALSBTHSTTM-UHFFFAOYSA-N 1 0 373.585 4.109 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000021807454 220367671 /nfs/dbraw/zinc/36/76/71/220367671.db2.gz HGIIEQVDLOZSBV-FQEVSTJZSA-N 1 0 363.461 4.155 50 0 FIAARO c1ccc(COc2ccc([C@H](c3ccccc3)N3CC[NH2+]CC3)cc2)cc1 ZINC000022112914 220377009 /nfs/dbraw/zinc/37/70/09/220377009.db2.gz ZTZCXTFMVJKXFG-DEOSSOPVSA-N 1 0 358.485 4.260 50 0 FIAARO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCCCC2)c1=O ZINC000022697243 220395435 /nfs/dbraw/zinc/39/54/35/220395435.db2.gz KSWBEOWHZNYQMA-FQEVSTJZSA-N 1 0 372.534 4.179 50 0 FIAARO c1nn(-c2ccccc2)cc1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000022800563 220399442 /nfs/dbraw/zinc/39/94/42/220399442.db2.gz CIEAFUZAWFMNCG-UHFFFAOYSA-N 1 0 352.526 4.151 50 0 FIAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879752 220691122 /nfs/dbraw/zinc/69/11/22/220691122.db2.gz JJYFOCTWSNUDIS-QGZVFWFLSA-N 1 0 373.500 4.325 50 0 FIAARO Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCCC[NH+](C)C ZINC000040217004 220896530 /nfs/dbraw/zinc/89/65/30/220896530.db2.gz WTANOZFDYMJFAE-UHFFFAOYSA-N 1 0 357.889 4.030 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000044932987 220964835 /nfs/dbraw/zinc/96/48/35/220964835.db2.gz XKPXWKKRYVLNMQ-HSZRJFAPSA-N 1 0 362.517 4.401 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 ZINC000048280102 221005575 /nfs/dbraw/zinc/00/55/75/221005575.db2.gz NOAVQULJLIGBIH-LJQANCHMSA-N 1 0 372.900 4.253 50 0 FIAARO COc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cc1OC ZINC000048781194 221014142 /nfs/dbraw/zinc/01/41/42/221014142.db2.gz GBHFBJGAQXFOFY-UHFFFAOYSA-N 1 0 368.477 4.122 50 0 FIAARO C[C@H]1CCCC[C@H]1OCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000048237303 221002170 /nfs/dbraw/zinc/00/21/70/221002170.db2.gz FYCYQQRHCFJUHJ-HTAPYJJXSA-N 1 0 370.537 4.139 50 0 FIAARO CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 ZINC000052803359 221040779 /nfs/dbraw/zinc/04/07/79/221040779.db2.gz GGVOSUGYHRPDKS-SFHVURJKSA-N 1 0 368.458 4.150 50 0 FIAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000051188206 221034550 /nfs/dbraw/zinc/03/45/50/221034550.db2.gz VPUWYKKQWREVOD-AZUAARDMSA-N 1 0 355.384 4.189 50 0 FIAARO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000052710476 221038984 /nfs/dbraw/zinc/03/89/84/221038984.db2.gz AUVDOYHXLWKCSV-RYUDHWBXSA-N 1 0 350.821 4.166 50 0 FIAARO COc1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ZINC000055053781 221057696 /nfs/dbraw/zinc/05/76/96/221057696.db2.gz XQBZMXSBYAVJQT-UHFFFAOYSA-N 1 0 351.425 4.389 50 0 FIAARO O=C(c1ccc(OC2CC[NH+](Cc3cccs3)CC2)cc1)N1CCCC1 ZINC000055090443 221057982 /nfs/dbraw/zinc/05/79/82/221057982.db2.gz KFHDGLYVOUTASS-UHFFFAOYSA-N 1 0 370.518 4.028 50 0 FIAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)n1 ZINC000055182665 221060878 /nfs/dbraw/zinc/06/08/78/221060878.db2.gz FKBPVYWFMQVRPT-QGZVFWFLSA-N 1 0 371.488 4.288 50 0 FIAARO CCOc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000055171564 221061050 /nfs/dbraw/zinc/06/10/50/221061050.db2.gz MHODKCPZAPZYDB-UHFFFAOYSA-N 1 0 361.445 4.022 50 0 FIAARO CCOc1ccccc1OCC[N@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000055281990 221063954 /nfs/dbraw/zinc/06/39/54/221063954.db2.gz OKNCMDHIIKGVGG-UHFFFAOYSA-N 1 0 359.514 4.164 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271119 221064736 /nfs/dbraw/zinc/06/47/36/221064736.db2.gz WRFPAEYCRBRDLQ-OAQYLSRUSA-N 1 0 360.448 4.354 50 0 FIAARO O=C(c1cccc(NCc2cccs2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000055281071 221064771 /nfs/dbraw/zinc/06/47/71/221064771.db2.gz LBGCFIDCRQBXHM-IBGZPJMESA-N 1 0 369.534 4.061 50 0 FIAARO C[C@@H](C[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1)Oc1cccnc1 ZINC000055254350 221065000 /nfs/dbraw/zinc/06/50/00/221065000.db2.gz VIOOFPBKRRVNCS-KRWDZBQOSA-N 1 0 370.456 4.249 50 0 FIAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)(C)C)nc12 ZINC000053644240 221047155 /nfs/dbraw/zinc/04/71/55/221047155.db2.gz FVSWRCMAMSWESH-IBGZPJMESA-N 1 0 353.441 4.019 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1cccc2ccccc21 ZINC000057286287 221086092 /nfs/dbraw/zinc/08/60/92/221086092.db2.gz LXZKBVFFPHEXOC-MRXNPFEDSA-N 1 0 362.477 4.441 50 0 FIAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000055343481 221067726 /nfs/dbraw/zinc/06/77/26/221067726.db2.gz HDGUXJXBVCANMW-CQSZACIVSA-N 1 0 355.956 4.083 50 0 FIAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000058163998 221101230 /nfs/dbraw/zinc/10/12/30/221101230.db2.gz CZAMWNDPIXAQRG-JVRWENHQSA-N 1 0 370.537 4.067 50 0 FIAARO C[C@@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)C[NH+]1CCCCC1 ZINC000058175516 221103273 /nfs/dbraw/zinc/10/32/73/221103273.db2.gz YLICWXUAKXZYHL-INIZCTEOSA-N 1 0 373.472 4.007 50 0 FIAARO O=c1oc2ccccc2n1CCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000058179752 221103629 /nfs/dbraw/zinc/10/36/29/221103629.db2.gz DVXPSEJKBORILN-KRWDZBQOSA-N 1 0 356.853 4.475 50 0 FIAARO C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccccc1C[NH+](C)C ZINC000058209868 221107468 /nfs/dbraw/zinc/10/74/68/221107468.db2.gz YYLXQVQQTKIISK-GOSISDBHSA-N 1 0 367.537 4.304 50 0 FIAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccncc3)c(C(F)(F)F)c2)n1 ZINC000058213506 221108087 /nfs/dbraw/zinc/10/80/87/221108087.db2.gz WOAOHNSEHQNEAT-UHFFFAOYSA-N 1 0 360.383 4.193 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000057620367 221091634 /nfs/dbraw/zinc/09/16/34/221091634.db2.gz SSIFODYPXIUDGD-HNNXBMFYSA-N 1 0 357.885 4.230 50 0 FIAARO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCC(=O)Nc1ccccc1 ZINC000058161911 221100176 /nfs/dbraw/zinc/10/01/76/221100176.db2.gz AHYCOQZKSIENMA-UHFFFAOYSA-N 1 0 370.493 4.381 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000058971871 221124409 /nfs/dbraw/zinc/12/44/09/221124409.db2.gz WPGLFWXZMWUNLA-IRXDYDNUSA-N 1 0 362.945 4.246 50 0 FIAARO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000060322489 221129049 /nfs/dbraw/zinc/12/90/49/221129049.db2.gz XMNJMHMDUJXNTP-AWEZNQCLSA-N 1 0 356.432 4.078 50 0 FIAARO C[NH+]1CCC(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000061031032 221133641 /nfs/dbraw/zinc/13/36/41/221133641.db2.gz FFXRPEHJOQRUDI-UHFFFAOYSA-N 1 0 374.937 4.456 50 0 FIAARO CCc1oc(C(=O)Nc2ccnn2[C@@H](C)C(C)C)cc1C[NH+](CC)CC ZINC000063832293 221143106 /nfs/dbraw/zinc/14/31/06/221143106.db2.gz NOWVABABQBHJQB-HNNXBMFYSA-N 1 0 360.502 4.350 50 0 FIAARO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000063865905 221143253 /nfs/dbraw/zinc/14/32/53/221143253.db2.gz BZZVFZSAXLVLJD-MRXNPFEDSA-N 1 0 372.534 4.276 50 0 FIAARO CSc1cccc(NC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)c1 ZINC000064818020 221152577 /nfs/dbraw/zinc/15/25/77/221152577.db2.gz LRFQTCHJHOVIRY-UHFFFAOYSA-N 1 0 352.503 4.488 50 0 FIAARO C[NH+]1CCC(Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000065364381 221203158 /nfs/dbraw/zinc/20/31/58/221203158.db2.gz CHZRKFHAHNCNQL-UHFFFAOYSA-N 1 0 359.857 4.457 50 0 FIAARO Cc1ccc(-n2cc(C3=CC[N@H+](Cc4ncccc4C)CC3)cn2)cc1C ZINC000065491824 221225525 /nfs/dbraw/zinc/22/55/25/221225525.db2.gz GWWWGIOQJBAMSX-UHFFFAOYSA-N 1 0 358.489 4.482 50 0 FIAARO c1coc([C@@H](Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)[NH+]2CCCC2)c1 ZINC000067447391 221253987 /nfs/dbraw/zinc/25/39/87/221253987.db2.gz QFXRMXIVRMDKBK-GOSISDBHSA-N 1 0 373.460 4.370 50 0 FIAARO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000067790726 221286594 /nfs/dbraw/zinc/28/65/94/221286594.db2.gz AEHNMZWHIWNSHE-INIZCTEOSA-N 1 0 359.429 4.049 50 0 FIAARO COc1ccc(Oc2ncccc2C(F)(F)F)cc1C[NH+]1CCCC1 ZINC000067878647 221300386 /nfs/dbraw/zinc/30/03/86/221300386.db2.gz BUXNUQSKCFFANO-UHFFFAOYSA-N 1 0 352.356 4.497 50 0 FIAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CC(C)(C)C[NH+](C)C)CCO3)s1 ZINC000067908858 221304279 /nfs/dbraw/zinc/30/42/79/221304279.db2.gz OXLDUTKZHQAPGB-UHFFFAOYSA-N 1 0 374.550 4.211 50 0 FIAARO c1ccc(Cc2nnc(SCC[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000071415902 221346216 /nfs/dbraw/zinc/34/62/16/221346216.db2.gz LSVRPFYYOKVMCU-UHFFFAOYSA-N 1 0 364.518 4.046 50 0 FIAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000071404233 221346731 /nfs/dbraw/zinc/34/67/31/221346731.db2.gz VLMCMGSQHSMUDW-GOSISDBHSA-N 1 0 357.469 4.042 50 0 FIAARO Cc1c2cc(Cl)cc(CNC(=O)[C@@H](C)[NH+](C)C)c2[nH]c1-c1ccccc1 ZINC000071754012 221365378 /nfs/dbraw/zinc/36/53/78/221365378.db2.gz VKRKCKYMKRYNNG-CQSZACIVSA-N 1 0 369.896 4.363 50 0 FIAARO CC(C)c1nnc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071760317 221368349 /nfs/dbraw/zinc/36/83/49/221368349.db2.gz LXXHALZVKPMFSK-IBGZPJMESA-N 1 0 374.504 4.065 50 0 FIAARO COc1ccc([C@@H]2C[N@H+](Cc3sccc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071762052 221369915 /nfs/dbraw/zinc/36/99/15/221369915.db2.gz MQKGQPKKLZAQGE-KSEOMHKRSA-N 1 0 368.546 4.127 50 0 FIAARO C=Cc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)CC3)CC2)c1 ZINC000072166302 221443001 /nfs/dbraw/zinc/44/30/01/221443001.db2.gz WXORAVYIOTYXCT-UHFFFAOYSA-N 1 0 364.489 4.441 50 0 FIAARO C[NH+](C)[C@H]1CCCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)[nH]2)CC1 ZINC000072173654 221447701 /nfs/dbraw/zinc/44/77/01/221447701.db2.gz FOKGCLJYDNFFNB-IBGZPJMESA-N 1 0 373.928 4.210 50 0 FIAARO c1cn(Cc2ccccn2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000095372606 132208838 /nfs/dbraw/zinc/20/88/38/132208838.db2.gz CJDHZANVOXAECO-SFHVURJKSA-N 1 0 369.472 4.259 50 0 FIAARO Cc1nc([C@H](C)[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)cs1 ZINC000095523876 132214251 /nfs/dbraw/zinc/21/42/51/132214251.db2.gz QSZQIYDWWMILHF-NSHDSACASA-N 1 0 373.551 4.084 50 0 FIAARO O=C(Nc1ccc(C2CCCCC2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000299781998 132299653 /nfs/dbraw/zinc/29/96/53/132299653.db2.gz FHNWKUMARBBTIK-UHFFFAOYSA-N 1 0 364.493 4.483 50 0 FIAARO CCOc1ccccc1N1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC000001227015 132381294 /nfs/dbraw/zinc/38/12/94/132381294.db2.gz JIGLSWYFCRKKGU-UHFFFAOYSA-N 1 0 354.494 4.033 50 0 FIAARO Cc1ccccc1-c1cccc(N2CCC([N@H+]3CCN(C)[C@H](C)C3)CC2)c1 ZINC000055401339 136126704 /nfs/dbraw/zinc/12/67/04/136126704.db2.gz ULULUYDYVLTJLR-HXUWFJFHSA-N 1 0 363.549 4.267 50 0 FIAARO Cc1n[nH]c(C)c1C[NH2+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000023312040 136152554 /nfs/dbraw/zinc/15/25/54/136152554.db2.gz RMSFWJHITMTETM-UHFFFAOYSA-N 1 0 360.505 4.452 50 0 FIAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000023282968 136152579 /nfs/dbraw/zinc/15/25/79/136152579.db2.gz ANDYRBCVUQXIRS-SFHVURJKSA-N 1 0 366.505 4.041 50 0 FIAARO c1ccc(-c2cccc(N3CCC([NH2+]CC4CCOCC4)CC3)c2)cc1 ZINC000023338932 136152607 /nfs/dbraw/zinc/15/26/07/136152607.db2.gz CQTHMYPHQYIHIZ-UHFFFAOYSA-N 1 0 350.506 4.339 50 0 FIAARO CCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000023375251 136152766 /nfs/dbraw/zinc/15/27/66/136152766.db2.gz MUWTWUNMOUHEHE-DEOSSOPVSA-N 1 0 363.549 4.036 50 0 FIAARO CC[NH+](CC)CCNC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000095918203 221971876 /nfs/dbraw/zinc/97/18/76/221971876.db2.gz DCLOTYKGXLMFCT-CAPFRKAQSA-N 1 0 356.897 4.339 50 0 FIAARO Cc1ncsc1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000096140819 222043975 /nfs/dbraw/zinc/04/39/75/222043975.db2.gz BBWHKPVPEKRLAK-IBGZPJMESA-N 1 0 371.550 4.118 50 0 FIAARO Cc1ccc(/C=C\C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000096180170 222068023 /nfs/dbraw/zinc/06/80/23/222068023.db2.gz NLZVRZMJFKEXQL-HJWRWDBZSA-N 1 0 360.929 4.432 50 0 FIAARO C[C@H]([NH2+]C1(CNCc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002564 222149272 /nfs/dbraw/zinc/14/92/72/222149272.db2.gz ZXJCGYDYWHXRHF-WFXMLNOXSA-N 1 0 368.521 4.393 50 0 FIAARO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCCC2)cc1 ZINC000097288681 222173535 /nfs/dbraw/zinc/17/35/35/222173535.db2.gz QDKAIVIXKKOFQV-UHFFFAOYSA-N 1 0 351.494 4.118 50 0 FIAARO CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000097954309 222217209 /nfs/dbraw/zinc/21/72/09/222217209.db2.gz OUMXVUQOBKMOLQ-UHFFFAOYSA-N 1 0 366.505 4.362 50 0 FIAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1 ZINC000011817875 263368172 /nfs/dbraw/zinc/36/81/72/263368172.db2.gz DYGGDIZATHHTRS-JOCHJYFZSA-N 1 0 368.521 4.258 50 0 FIAARO c1sc2ccccc2c1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCC[NH2+]C2 ZINC000299769382 534545195 /nfs/dbraw/zinc/54/51/95/534545195.db2.gz MUGHOCJNMCYYTO-MRXNPFEDSA-N 1 0 367.470 4.218 50 0 FIAARO CC[NH+]1CCN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020406234 521684025 /nfs/dbraw/zinc/68/40/25/521684025.db2.gz AHLCIIOKZHMFPB-UHFFFAOYSA-N 1 0 352.522 4.029 50 0 FIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)cc1C ZINC000020997212 521790993 /nfs/dbraw/zinc/79/09/93/521790993.db2.gz NCHXSXQLKBNJAZ-MRXNPFEDSA-N 1 0 358.507 4.172 50 0 FIAARO COCCc1noc(C[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000089420259 522038801 /nfs/dbraw/zinc/03/88/01/522038801.db2.gz CXLMQGMRXLCXSQ-RTBURBONSA-N 1 0 361.530 4.362 50 0 FIAARO COc1cc(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1F ZINC000020204255 522478156 /nfs/dbraw/zinc/47/81/56/522478156.db2.gz PAHDHFDZSGRUCC-GOSISDBHSA-N 1 0 362.876 4.242 50 0 FIAARO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000299759232 534720106 /nfs/dbraw/zinc/72/01/06/534720106.db2.gz CRZDWJOEEQJOOG-IBGZPJMESA-N 1 0 362.452 4.366 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020598862 524450345 /nfs/dbraw/zinc/45/03/45/524450345.db2.gz WNPDYHQCAKTRDG-HXUWFJFHSA-N 1 0 373.928 4.028 50 0 FIAARO Cc1cc(C)n2ncc(C[N@@H+]3CCCC[C@H]3CCc3cccc(O)c3)c2n1 ZINC000216460374 524571823 /nfs/dbraw/zinc/57/18/23/524571823.db2.gz BYKFZVOATGLZGW-FQEVSTJZSA-N 1 0 364.493 4.039 50 0 FIAARO C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[NH+]1CCCC1 ZINC000080345738 524714553 /nfs/dbraw/zinc/71/45/53/524714553.db2.gz RXJCZBOXWNCBCK-LBPRGKRZSA-N 1 0 367.276 4.468 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)o1 ZINC000252444165 525339757 /nfs/dbraw/zinc/33/97/57/525339757.db2.gz HPICLOFKJZZLCS-QQOZLPODSA-N 1 0 369.505 4.290 50 0 FIAARO CSc1ccc(C[N@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000239425738 525986284 /nfs/dbraw/zinc/98/62/84/525986284.db2.gz VEAFCFXDONUIOT-KNQAVFIVSA-N 1 0 371.546 4.295 50 0 FIAARO CSc1ccc2c(c1)CCN(C(=O)c1cccc([C@H]3CCC[NH2+]C3)c1)C2 ZINC000216473125 526082536 /nfs/dbraw/zinc/08/25/36/526082536.db2.gz CQSNOGLROCATAA-IBGZPJMESA-N 1 0 366.530 4.074 50 0 FIAARO c1ccc(COc2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cc2)cc1 ZINC000020255150 526473334 /nfs/dbraw/zinc/47/33/34/526473334.db2.gz MAPHDFARDWJDGO-JOCHJYFZSA-N 1 0 350.506 4.326 50 0 FIAARO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000156219338 526573600 /nfs/dbraw/zinc/57/36/00/526573600.db2.gz DLEYOCOXFFZJIR-ONGXEEELSA-N 1 0 369.943 4.033 50 0 FIAARO O=C(CCn1ccc2c1cccc2Cl)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079193787 526672448 /nfs/dbraw/zinc/67/24/48/526672448.db2.gz XXGCFWJLMYDZII-QFBILLFUSA-N 1 0 373.928 4.066 50 0 biogenic FIAARO [NH3+][C@H]1CC[C@@H](NC(=O)C[C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000240936915 527412836 /nfs/dbraw/zinc/41/28/36/527412836.db2.gz SFVOJTUMQAZTPB-ZIFCJYIRSA-N 1 0 356.897 4.248 50 0 FIAARO Cn1cnnc1CC1CC[NH+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000085474755 527521233 /nfs/dbraw/zinc/52/12/33/527521233.db2.gz VYMRIDBDXOULAQ-UHFFFAOYSA-N 1 0 374.554 4.288 50 0 FIAARO CCSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000299790006 529257324 /nfs/dbraw/zinc/25/73/24/529257324.db2.gz AKLMKUGSQRKJTB-UHFFFAOYSA-N 1 0 359.495 4.178 50 0 FIAARO c1cc([C@@H]2CCCCO2)sc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000215346966 568065073 /nfs/dbraw/zinc/06/50/73/568065073.db2.gz ITOYJKDYMYGRPY-SFHVURJKSA-N 1 0 366.596 4.003 50 0 FIAARO O[C@@H]1CCC[N@H+](Cc2ccccc2OCc2c(F)cccc2Cl)CC1 ZINC000215858357 568092825 /nfs/dbraw/zinc/09/28/25/568092825.db2.gz PHRDAEUNOFAGMX-MRXNPFEDSA-N 1 0 363.860 4.405 50 0 FIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(C2CC2)nc2ccccc21 ZINC000012297048 568101571 /nfs/dbraw/zinc/10/15/71/568101571.db2.gz DYLSVCHEFVUGFZ-HTAPYJJXSA-N 1 0 363.505 4.107 50 0 biogenic FIAARO Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C[NH+](C)C)cs1 ZINC000216041649 568102260 /nfs/dbraw/zinc/10/22/60/568102260.db2.gz DCGZBUSHIBIBFS-IBGZPJMESA-N 1 0 354.523 4.034 50 0 FIAARO CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(OCCC(C)C)c1)C2 ZINC000220308001 568334502 /nfs/dbraw/zinc/33/45/02/568334502.db2.gz WMNRRAFQBQGYJZ-QFIPXVFZSA-N 1 0 371.525 4.157 50 0 FIAARO O=c1cc(C[NH+]2CCCCCCC2)nc2scc(-c3ccccc3)n21 ZINC000023777336 568425350 /nfs/dbraw/zinc/42/53/50/568425350.db2.gz IGMOBTYSRZQXDS-UHFFFAOYSA-N 1 0 353.491 4.189 50 0 FIAARO C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Br)cc1 ZINC000024321242 568459726 /nfs/dbraw/zinc/45/97/26/568459726.db2.gz BFCWNFSSCOZGME-UHFFFAOYSA-N 1 0 372.266 4.455 50 0 FIAARO C=Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)c1 ZINC000091951580 570443597 /nfs/dbraw/zinc/44/35/97/570443597.db2.gz SMXVMHYUFQSGIW-LEWJYISDSA-N 1 0 351.494 4.031 50 0 FIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cc[nH]c3C)CC2)C1 ZINC000092028716 570445560 /nfs/dbraw/zinc/44/55/60/570445560.db2.gz DKGZQMXIDCMPSP-FQEVSTJZSA-N 1 0 365.521 4.055 50 0 FIAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000092046995 570445975 /nfs/dbraw/zinc/44/59/75/570445975.db2.gz BHBRAVKWYMAKKF-UHFFFAOYSA-N 1 0 370.468 4.310 50 0 FIAARO Cc1nc2c3ccccc3oc2c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000016363307 570449014 /nfs/dbraw/zinc/44/90/14/570449014.db2.gz FLPCQNUJNGJMJS-UHFFFAOYSA-N 1 0 350.466 4.139 50 0 FIAARO CN(Cc1cccc2ncccc12)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095367725 570455392 /nfs/dbraw/zinc/45/53/92/570455392.db2.gz BULPZUOUSZEXFQ-UHFFFAOYSA-N 1 0 365.521 4.238 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378807 570458397 /nfs/dbraw/zinc/45/83/97/570458397.db2.gz OHECHBVMPBYVGO-LJQANCHMSA-N 1 0 369.509 4.080 50 0 FIAARO Fc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095387909 570460056 /nfs/dbraw/zinc/46/00/56/570460056.db2.gz JMBQVJATOXBAOQ-VLCRHTCISA-N 1 0 372.434 4.166 50 0 FIAARO Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)c(C)n1 ZINC000095498132 570462290 /nfs/dbraw/zinc/46/22/90/570462290.db2.gz IYXLSSHTMGYVGW-UHFFFAOYSA-N 1 0 366.509 4.267 50 0 FIAARO Cc1[nH]ccc1C(=O)N(C)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000095506678 570464566 /nfs/dbraw/zinc/46/45/66/570464566.db2.gz MISRWDHIZCDLAJ-UHFFFAOYSA-N 1 0 373.928 4.003 50 0 FIAARO CC(C)[NH+]1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000095523521 570467975 /nfs/dbraw/zinc/46/79/75/570467975.db2.gz UPSARKIEHDEQJV-UHFFFAOYSA-N 1 0 364.917 4.218 50 0 FIAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095524073 570468347 /nfs/dbraw/zinc/46/83/47/570468347.db2.gz ZCELIHYZZUJHEL-INIZCTEOSA-N 1 0 359.857 4.300 50 0 FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000001179426 570489192 /nfs/dbraw/zinc/48/91/92/570489192.db2.gz SRVLCSWSEKPPEU-UHFFFAOYSA-N 1 0 354.469 4.086 50 0 FIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000072302912 570497054 /nfs/dbraw/zinc/49/70/54/570497054.db2.gz DVPXMLAOUGSEDM-UHFFFAOYSA-N 1 0 371.488 4.273 50 0 FIAARO Fc1ccc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000002331290 570519176 /nfs/dbraw/zinc/51/91/76/570519176.db2.gz XNUJDUVKTRFEOQ-GOSISDBHSA-N 1 0 353.393 4.459 50 0 FIAARO Cc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(Cl)cc2)cc1 ZINC000002569238 570525187 /nfs/dbraw/zinc/52/51/87/570525187.db2.gz OJZRSKYPSYEWDS-OAQYLSRUSA-N 1 0 355.889 4.426 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000002734035 570528855 /nfs/dbraw/zinc/52/88/55/570528855.db2.gz AKJKDGUFRYMUOV-LJQANCHMSA-N 1 0 356.897 4.211 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000002734034 570529012 /nfs/dbraw/zinc/52/90/12/570529012.db2.gz AKJKDGUFRYMUOV-IBGZPJMESA-N 1 0 356.897 4.211 50 0 FIAARO CCC[N@H+](CCC(=O)Nc1ccc(Br)c(C)c1)CC1CC1 ZINC000002765245 570531220 /nfs/dbraw/zinc/53/12/20/570531220.db2.gz ZSZPPDYLEWGLGZ-UHFFFAOYSA-N 1 0 353.304 4.208 50 0 FIAARO c1cc2c(ncnc2N2CC[NH+](Cc3cccc4ccccc43)CC2)s1 ZINC000023908769 570546271 /nfs/dbraw/zinc/54/62/71/570546271.db2.gz BAKARIGMLLHMJQ-UHFFFAOYSA-N 1 0 360.486 4.167 50 0 FIAARO Cc1cccc([C@H]2C[C@H](C(=O)NCC3CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733578 570549641 /nfs/dbraw/zinc/54/96/41/570549641.db2.gz ZJSINPZQBKTXNZ-GOTSBHOMSA-N 1 0 362.517 4.127 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938199 570562872 /nfs/dbraw/zinc/56/28/72/570562872.db2.gz FMNLXEJKJXHLSA-LBPRGKRZSA-N 1 0 373.909 4.317 50 0 FIAARO CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 ZINC000004980534 570571382 /nfs/dbraw/zinc/57/13/82/570571382.db2.gz WDOJNIIFRLTBGP-AWEZNQCLSA-N 1 0 368.289 4.472 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000011916635 570600545 /nfs/dbraw/zinc/60/05/45/570600545.db2.gz WXHKBEGVIOSASJ-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO Fc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000252538622 570624071 /nfs/dbraw/zinc/62/40/71/570624071.db2.gz NBXQQBHZECADAE-BZUAXINKSA-N 1 0 354.263 4.026 50 0 FIAARO Cc1cc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc(C)c1C ZINC000005697745 570633403 /nfs/dbraw/zinc/63/34/03/570633403.db2.gz AJZGIXINMTXXIY-UHFFFAOYSA-N 1 0 352.507 4.035 50 0 FIAARO C[NH+](C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714081 570667574 /nfs/dbraw/zinc/66/75/74/570667574.db2.gz LCFWFLDEKVUPBD-UHFFFAOYSA-N 1 0 371.488 4.451 50 0 FIAARO CC[N@H+](CCn1cccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011664304 570704601 /nfs/dbraw/zinc/70/46/01/570704601.db2.gz KOZJJKNRPPZIDN-UHFFFAOYSA-N 1 0 371.488 4.462 50 0 FIAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1)NC1CC1 ZINC000011770736 570706590 /nfs/dbraw/zinc/70/65/90/570706590.db2.gz NYVNFUYGGPMKFB-GOSISDBHSA-N 1 0 370.537 4.279 50 0 FIAARO c1c2ccccc2oc1C[NH2+][C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000011874134 570710263 /nfs/dbraw/zinc/71/02/63/570710263.db2.gz PAFGPVQVVACNBI-LJQANCHMSA-N 1 0 356.429 4.452 50 0 FIAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cnn1C ZINC000011946613 570712947 /nfs/dbraw/zinc/71/29/47/570712947.db2.gz ZOWGFFSQKOPOMI-GOSISDBHSA-N 1 0 353.510 4.121 50 0 FIAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000011951955 570713006 /nfs/dbraw/zinc/71/30/06/570713006.db2.gz XYLRHVZMCYZWIM-SFHVURJKSA-N 1 0 371.864 4.222 50 0 FIAARO CSc1ccccc1C(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012093128 570718179 /nfs/dbraw/zinc/71/81/79/570718179.db2.gz DHFYDLGTMYIMLG-IBGZPJMESA-N 1 0 368.546 4.188 50 0 FIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000012208606 570728068 /nfs/dbraw/zinc/72/80/68/570728068.db2.gz ZXKOHWKOIVWFQJ-LJQANCHMSA-N 1 0 353.462 4.274 50 0 FIAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012301336 570733942 /nfs/dbraw/zinc/73/39/42/570733942.db2.gz MSQFXESJFBDWSX-GOSISDBHSA-N 1 0 351.450 4.214 50 0 FIAARO Cc1c([C@H](C)[NH2+]Cc2cccn2-c2ccccn2)cnn1-c1ccccc1 ZINC000012304688 570734320 /nfs/dbraw/zinc/73/43/20/570734320.db2.gz GIAAQMCYMGUZLP-KRWDZBQOSA-N 1 0 357.461 4.217 50 0 FIAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)c1 ZINC000012385283 570740864 /nfs/dbraw/zinc/74/08/64/570740864.db2.gz MEXIGCBIHDTHSQ-LJQANCHMSA-N 1 0 352.478 4.421 50 0 FIAARO O=C(c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1)N1CCCCCC1 ZINC000012454629 570747098 /nfs/dbraw/zinc/74/70/98/570747098.db2.gz WWJDRICYNPUTIG-UHFFFAOYSA-N 1 0 370.537 4.489 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](CC2CC2)CC1 ZINC000012459058 570747472 /nfs/dbraw/zinc/74/74/72/570747472.db2.gz PYIGYHJNFCNPIB-UHFFFAOYSA-N 1 0 369.427 4.303 50 0 FIAARO COc1ccc(-n2cc(C[NH2+]C3CC3)c(-c3ccccc3Cl)n2)cc1 ZINC000012458688 570747730 /nfs/dbraw/zinc/74/77/30/570747730.db2.gz LRETVSWVQNKVKD-UHFFFAOYSA-N 1 0 353.853 4.453 50 0 FIAARO CCc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472175 570748720 /nfs/dbraw/zinc/74/87/20/570748720.db2.gz DNTCRFQTTGFQLJ-FQEVSTJZSA-N 1 0 370.537 4.237 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccs3)sc2c1 ZINC000004359523 570758198 /nfs/dbraw/zinc/75/81/98/570758198.db2.gz BLDGKIADSHNYCU-UHFFFAOYSA-N 1 0 359.520 4.265 50 0 FIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2ccccc2F)o1 ZINC000032732066 570790616 /nfs/dbraw/zinc/79/06/16/570790616.db2.gz RPLSVKYDAKYWSF-QGZVFWFLSA-N 1 0 364.420 4.090 50 0 FIAARO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000032751122 570791491 /nfs/dbraw/zinc/79/14/91/570791491.db2.gz LJICEEKUANFLPZ-FYYLOGMGSA-N 1 0 369.480 4.245 50 0 FIAARO O[C@H](COC[C@@H]1CC=CCC1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000004559874 570835026 /nfs/dbraw/zinc/83/50/26/570835026.db2.gz YNYFYZRFYNNBDF-RPWUZVMVSA-N 1 0 365.517 4.423 50 0 FIAARO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504400 570839685 /nfs/dbraw/zinc/83/96/85/570839685.db2.gz IQGAIIHSUQCELO-DJJJIMSYSA-N 1 0 358.869 4.417 50 0 FIAARO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504404 570839886 /nfs/dbraw/zinc/83/98/86/570839886.db2.gz IQGAIIHSUQCELO-YJYMSZOUSA-N 1 0 358.869 4.417 50 0 FIAARO Cc1cc(NC(=O)C[NH2+]C2CCCCCCC2)ccc1Br ZINC000005752727 570903075 /nfs/dbraw/zinc/90/30/75/570903075.db2.gz NFLZAKWSWDYWAE-UHFFFAOYSA-N 1 0 353.304 4.399 50 0 FIAARO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020234391 570914059 /nfs/dbraw/zinc/91/40/59/570914059.db2.gz LSJWVBNTGHURKK-JOCHJYFZSA-N 1 0 369.940 4.127 50 0 FIAARO COc1ccc2cc(C[NH2+]C[C@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000022928630 570953238 /nfs/dbraw/zinc/95/32/38/570953238.db2.gz JVWTTZPFDHKBOF-OAQYLSRUSA-N 1 0 350.462 4.368 50 0 FIAARO C(=C/c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1)\c1ccco1 ZINC000005524730 570961430 /nfs/dbraw/zinc/96/14/30/570961430.db2.gz ZKJLBGKNYMTNQS-BUHFOSPRSA-N 1 0 365.416 4.461 50 0 FIAARO CC(=O)c1cc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cs1 ZINC000023359339 570962239 /nfs/dbraw/zinc/96/22/39/570962239.db2.gz OMHGJNMRORGDSV-FQEVSTJZSA-N 1 0 356.535 4.090 50 0 FIAARO COc1ccc(C(C)=O)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000024761794 570981743 /nfs/dbraw/zinc/98/17/43/570981743.db2.gz WIMMNUDFPRBRDK-QFIPXVFZSA-N 1 0 369.461 4.156 50 0 FIAARO Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1C[NH+](C)C ZINC000024830413 570982940 /nfs/dbraw/zinc/98/29/40/570982940.db2.gz KWAPNNIZHODKJX-UHFFFAOYSA-N 1 0 374.912 4.185 50 0 FIAARO C[C@H]([NH2+]CCc1ccco1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000025055301 570989607 /nfs/dbraw/zinc/98/96/07/570989607.db2.gz OODAKDZTFFMKOU-NSHDSACASA-N 1 0 371.487 4.199 50 0 FIAARO CC1CC[NH+](CCCNc2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000025165312 570991583 /nfs/dbraw/zinc/99/15/83/570991583.db2.gz ZWYDBQSMHVYHQI-UHFFFAOYSA-N 1 0 361.493 4.226 50 0 FIAARO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025439352 570995980 /nfs/dbraw/zinc/99/59/80/570995980.db2.gz ZERCMJQPEDDOLL-OAQYLSRUSA-N 1 0 350.506 4.457 50 0 FIAARO CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027583810 571015237 /nfs/dbraw/zinc/01/52/37/571015237.db2.gz HYJSCULMVNMHCQ-HXUWFJFHSA-N 1 0 372.896 4.306 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584405 571015588 /nfs/dbraw/zinc/01/55/88/571015588.db2.gz CKFNWSSBDBXWEM-QFIPXVFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027604112 571016117 /nfs/dbraw/zinc/01/61/17/571016117.db2.gz PBLZWGFECBPMSZ-SFHVURJKSA-N 1 0 358.507 4.102 50 0 FIAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027662714 571016975 /nfs/dbraw/zinc/01/69/75/571016975.db2.gz LTKKMWRGTJAVBE-NRFANRHFSA-N 1 0 366.505 4.026 50 0 FIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027663901 571017676 /nfs/dbraw/zinc/01/76/76/571017676.db2.gz XOMXFLYTVAIWTF-IGDKPHCXSA-N 1 0 358.551 4.218 50 0 FIAARO COc1ccc(OC)c(C[N@H+](C[C@@H](O)c2ccccc2Cl)C2CC2)c1 ZINC000040105741 571017955 /nfs/dbraw/zinc/01/79/55/571017955.db2.gz WUQASJNMDLHWEI-LJQANCHMSA-N 1 0 361.869 4.055 50 0 FIAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741284 571019340 /nfs/dbraw/zinc/01/93/40/571019340.db2.gz CYSXUVHXAYJOHY-GOSISDBHSA-N 1 0 372.534 4.087 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCC2)cc1 ZINC000027794333 571021751 /nfs/dbraw/zinc/02/17/51/571021751.db2.gz DDHJDFGOZKYRKS-QFIPXVFZSA-N 1 0 366.505 4.349 50 0 FIAARO CC[NH+](CC)C1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 ZINC000072272927 571027998 /nfs/dbraw/zinc/02/79/98/571027998.db2.gz SUFQGFHZZLXUAN-QGZVFWFLSA-N 1 0 360.542 4.084 50 0 FIAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3c(F)cccc3F)cc2)CC1 ZINC000029358829 571039167 /nfs/dbraw/zinc/03/91/67/571039167.db2.gz NAPZUZQCPOAKFN-UHFFFAOYSA-N 1 0 358.432 4.127 50 0 FIAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1Cl ZINC000038584972 571046304 /nfs/dbraw/zinc/04/63/04/571046304.db2.gz WCCXCVDTIDXHPG-UHFFFAOYSA-N 1 0 363.914 4.435 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000008614012 571052600 /nfs/dbraw/zinc/05/26/00/571052600.db2.gz YBEQARLMYVDZPS-FQEVSTJZSA-N 1 0 351.494 4.255 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000008614040 571052618 /nfs/dbraw/zinc/05/26/18/571052618.db2.gz KPOMOQCZFUZOEG-KRWDZBQOSA-N 1 0 357.885 4.292 50 0 FIAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717198 571056856 /nfs/dbraw/zinc/05/68/56/571056856.db2.gz ZDTZEXREGSNIPY-CQSZACIVSA-N 1 0 356.466 4.048 50 0 FIAARO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000008726420 571057982 /nfs/dbraw/zinc/05/79/82/571057982.db2.gz CFWXDBJCHDYMMO-HNNXBMFYSA-N 1 0 374.410 4.233 50 0 FIAARO COc1cccc(OC)c1OCCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000008739614 571058759 /nfs/dbraw/zinc/05/87/59/571058759.db2.gz APOOIRABIOCBJH-IBGZPJMESA-N 1 0 370.493 4.485 50 0 biogenic FIAARO Oc1cc(OCC[NH+]2CCCCC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000008743297 571059000 /nfs/dbraw/zinc/05/90/00/571059000.db2.gz LXNJURHOWBPTCM-UHFFFAOYSA-N 1 0 363.461 4.314 50 0 FIAARO COc1ccc2cc(C[NH2+]CCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000008775626 571061124 /nfs/dbraw/zinc/06/11/24/571061124.db2.gz QRTZDXMFLPMVJQ-UHFFFAOYSA-N 1 0 351.446 4.198 50 0 FIAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2c(C)cc(C)cc12 ZINC000033018758 571061073 /nfs/dbraw/zinc/06/10/73/571061073.db2.gz QJQLFCXGSGCMFM-UHFFFAOYSA-N 1 0 365.473 4.367 50 0 FIAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018707 571061166 /nfs/dbraw/zinc/06/11/66/571061166.db2.gz FZVUZEKELDXMEV-UHFFFAOYSA-N 1 0 367.445 4.222 50 0 FIAARO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000225771952 571064416 /nfs/dbraw/zinc/06/44/16/571064416.db2.gz JGVAMICNMZJWNG-FOIQADDNSA-N 1 0 358.432 4.168 50 0 FIAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000002827533 571070256 /nfs/dbraw/zinc/07/02/56/571070256.db2.gz BGEWMJCGLAFDHL-QHCPKHFHSA-N 1 0 359.469 4.152 50 0 FIAARO Brc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)o1 ZINC000022587835 571071578 /nfs/dbraw/zinc/07/15/78/571071578.db2.gz ZTYOGEWKQHYXSX-AEFFLSMTSA-N 1 0 367.331 4.271 50 0 FIAARO COc1ccc(C[N@H+](C[C@@H](O)c2ccccc2Cl)C2CC2)c(OC)c1 ZINC000040105718 571077386 /nfs/dbraw/zinc/07/73/86/571077386.db2.gz BTFNCFFZWYFVPD-LJQANCHMSA-N 1 0 361.869 4.055 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000040112677 571079343 /nfs/dbraw/zinc/07/93/43/571079343.db2.gz WUIJLCLFZKWXPG-HNNXBMFYSA-N 1 0 373.928 4.439 50 0 FIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1sccc1-c1ccccc1 ZINC000032986399 571083277 /nfs/dbraw/zinc/08/32/77/571083277.db2.gz NIJZEVDNERCKDP-LJQANCHMSA-N 1 0 362.498 4.419 50 0 FIAARO Clc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)c(Cl)c1 ZINC000039389201 571088762 /nfs/dbraw/zinc/08/87/62/571088762.db2.gz IKAHFFXVWMJJHH-UHFFFAOYSA-N 1 0 368.293 4.146 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000040403419 571096062 /nfs/dbraw/zinc/09/60/62/571096062.db2.gz ABFAEDCRHXYKED-QUCCMNQESA-N 1 0 357.494 4.044 50 0 FIAARO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)ccc2c1 ZINC000012436024 571102114 /nfs/dbraw/zinc/10/21/14/571102114.db2.gz XBTGMSHPLDNZHQ-NRFANRHFSA-N 1 0 360.457 4.338 50 0 FIAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044932072 571104847 /nfs/dbraw/zinc/10/48/47/571104847.db2.gz PYZGVBMUMFHGDF-UHFFFAOYSA-N 1 0 360.860 4.008 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000044934196 571105350 /nfs/dbraw/zinc/10/53/50/571105350.db2.gz XMRWNNOOCJQDQT-OAHLLOKOSA-N 1 0 358.432 4.054 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SC)cc2C)CC1 ZINC000009368800 571107023 /nfs/dbraw/zinc/10/70/23/571107023.db2.gz ZAAMDQKVIPHMNG-UHFFFAOYSA-N 1 0 369.534 4.111 50 0 FIAARO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000072314354 571108555 /nfs/dbraw/zinc/10/85/55/571108555.db2.gz CZBZHWSXZXUYLY-JLYLLQBASA-N 1 0 371.525 4.179 50 0 FIAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000042209317 571120520 /nfs/dbraw/zinc/12/05/20/571120520.db2.gz BCILDPYOEMTTRK-UHFFFAOYSA-N 1 0 358.482 4.045 50 0 FIAARO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009992245 571121968 /nfs/dbraw/zinc/12/19/68/571121968.db2.gz CNLVOZDGUJBERE-INIZCTEOSA-N 1 0 372.896 4.020 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccccc2s1 ZINC000009992409 571122085 /nfs/dbraw/zinc/12/20/85/571122085.db2.gz ARDDOSJXVRBFEC-UHFFFAOYSA-N 1 0 350.487 4.427 50 0 FIAARO CCc1ccc([C@H]([NH2+]Cc2ccc(C(N)=O)cc2)c2cccc(F)c2)cc1 ZINC000012915639 571144819 /nfs/dbraw/zinc/14/48/19/571144819.db2.gz ULSDEFCUCIJWCV-QFIPXVFZSA-N 1 0 362.448 4.366 50 0 FIAARO Cn1cc([C@@H](CNC(=O)Nc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000075149220 571156939 /nfs/dbraw/zinc/15/69/39/571156939.db2.gz NHJYSWILEADZJV-LJQANCHMSA-N 1 0 370.884 4.256 50 0 FIAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000001179473 571164969 /nfs/dbraw/zinc/16/49/69/571164969.db2.gz BHOLYRNEZWYHGO-UHFFFAOYSA-N 1 0 362.517 4.046 50 0 FIAARO COc1ccc(CN(C)Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 ZINC000006209135 571166771 /nfs/dbraw/zinc/16/67/71/571166771.db2.gz OZNYFPSQSOJFAH-UHFFFAOYSA-N 1 0 368.506 4.118 50 0 FIAARO C[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 ZINC000005937563 571168872 /nfs/dbraw/zinc/16/88/72/571168872.db2.gz KQIRASASHDWWIA-TZIWHRDSSA-N 1 0 359.897 4.227 50 0 FIAARO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1cccc(-c2ccccn2)c1 ZINC000072142171 571172039 /nfs/dbraw/zinc/17/20/39/571172039.db2.gz LVJFERZPBXRASR-UHFFFAOYSA-N 1 0 356.429 4.431 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1csc2ccccc21 ZINC000575619453 571172439 /nfs/dbraw/zinc/17/24/39/571172439.db2.gz FOSBRTWNOYYDPY-IBGZPJMESA-N 1 0 363.486 4.415 50 0 FIAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1 ZINC000072145458 571172911 /nfs/dbraw/zinc/17/29/11/571172911.db2.gz QUFXCYKLJQPAAY-HXUWFJFHSA-N 1 0 370.924 4.487 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)c(C)c1=O ZINC000072146097 571173278 /nfs/dbraw/zinc/17/32/78/571173278.db2.gz HNWVDJZGFPVLTI-MRXNPFEDSA-N 1 0 360.448 4.115 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc21 ZINC000575622218 571173507 /nfs/dbraw/zinc/17/35/07/571173507.db2.gz XVGQBIKNINYLDI-OZSKJFCKSA-N 1 0 356.516 4.395 50 0 FIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)cc1Cn1cccn1 ZINC000072151522 571174251 /nfs/dbraw/zinc/17/42/51/571174251.db2.gz UIZVIGGJPBBNMA-NRFANRHFSA-N 1 0 362.477 4.062 50 0 FIAARO Cc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)cc1Cl ZINC000012543562 571177890 /nfs/dbraw/zinc/17/78/90/571177890.db2.gz FTFHRPAVWWZLKV-UHFFFAOYSA-N 1 0 372.900 4.353 50 0 FIAARO O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036390368 571178775 /nfs/dbraw/zinc/17/87/75/571178775.db2.gz IUXWWYNSGXOWSA-FTXPIHLZSA-N 1 0 370.493 4.310 50 0 FIAARO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000003339020 571180952 /nfs/dbraw/zinc/18/09/52/571180952.db2.gz LNZPRRDDFWZSLE-HXUWFJFHSA-N 1 0 354.494 4.195 50 0 FIAARO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1F ZINC000028915393 571192210 /nfs/dbraw/zinc/19/22/10/571192210.db2.gz OHLSPYONVBTZHM-RDTXWAMCSA-N 1 0 356.466 4.348 50 0 FIAARO Cc1ccc(-n2cc(CN3CC[N@H+](C)[C@H](C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072478190 571199541 /nfs/dbraw/zinc/19/95/41/571199541.db2.gz FPYHEOQFRJSJIJ-HXUWFJFHSA-N 1 0 374.532 4.292 50 0 FIAARO CSc1ccccc1NC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077505723 571214023 /nfs/dbraw/zinc/21/40/23/571214023.db2.gz XBFRHAPNILMTFS-PKOBYXMFSA-N 1 0 369.534 4.278 50 0 FIAARO CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)on1 ZINC000077564903 571215605 /nfs/dbraw/zinc/21/56/05/571215605.db2.gz ZNCDGAYCYZENMB-HXUWFJFHSA-N 1 0 369.509 4.302 50 0 FIAARO O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426386879 571218019 /nfs/dbraw/zinc/21/80/19/571218019.db2.gz JLKREWCSWGORTC-QGZVFWFLSA-N 1 0 374.406 4.293 50 0 FIAARO C[C@H](NC(=O)N(C)CCC[NH+]1CCCCCC1)c1ccc2[nH]ccc2c1 ZINC000426398143 571219691 /nfs/dbraw/zinc/21/96/91/571219691.db2.gz RKLWDZSDAVPBGI-KRWDZBQOSA-N 1 0 356.514 4.136 50 0 FIAARO CO[C@]12CC[N@H+](Cc3ccc(-c4ccccc4Cl)o3)[C@H]1C[C@@H](O)CC2 ZINC000426615588 571233346 /nfs/dbraw/zinc/23/33/46/571233346.db2.gz UELUZWXHPSESDE-PNHOKKKMSA-N 1 0 361.869 4.104 50 0 FIAARO Cc1cccc(-c2ccc(C(=O)N(C)[C@H](C[NH+](C)C)c3ccccc3)cc2)n1 ZINC000426707382 571236005 /nfs/dbraw/zinc/23/60/05/571236005.db2.gz IUVLXQPGESNGKS-HSZRJFAPSA-N 1 0 373.500 4.432 50 0 FIAARO Cc1ccnc(-c2ccc(C(=O)N(C)Cc3ccc(C[NH+](C)C)cc3)cc2)c1 ZINC000426728232 571236682 /nfs/dbraw/zinc/23/66/82/571236682.db2.gz IACYUPLNVZVOIV-UHFFFAOYSA-N 1 0 373.500 4.391 50 0 FIAARO Cc1nc(C)c(-c2cccc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2)s1 ZINC000426739135 571236875 /nfs/dbraw/zinc/23/68/75/571236875.db2.gz XWSUNVZSSFMFOK-UHFFFAOYSA-N 1 0 369.534 4.127 50 0 FIAARO O=C(c1ccccc1C(F)(F)F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091325959 571239050 /nfs/dbraw/zinc/23/90/50/571239050.db2.gz FQQOCRVXOIAANE-HZPDHXFCSA-N 1 0 366.427 4.042 50 0 FIAARO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102503 571241863 /nfs/dbraw/zinc/24/18/63/571241863.db2.gz SIYVCWYVFDDUHA-QFIPXVFZSA-N 1 0 365.448 4.268 50 0 FIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036102780 571241894 /nfs/dbraw/zinc/24/18/94/571241894.db2.gz NTZSIMCRPSHGQA-QHCPKHFHSA-N 1 0 361.485 4.301 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccco2)cc1 ZINC000036101741 571241983 /nfs/dbraw/zinc/24/19/83/571241983.db2.gz TVHMNNNXRHRRKD-QFIPXVFZSA-N 1 0 365.473 4.168 50 0 FIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103333 571242293 /nfs/dbraw/zinc/24/22/93/571242293.db2.gz KRXJGZBRGJCCQC-HXUWFJFHSA-N 1 0 367.514 4.499 50 0 FIAARO CC[NH+]1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000006774895 571245923 /nfs/dbraw/zinc/24/59/23/571245923.db2.gz OADSCBDXWXIIGZ-UHFFFAOYSA-N 1 0 352.869 4.092 50 0 FIAARO CCC[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)CC1CC1 ZINC000006787560 571246528 /nfs/dbraw/zinc/24/65/28/571246528.db2.gz QFYRLQIDLLADRC-QFIPXVFZSA-N 1 0 353.506 4.276 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C ZINC000169681687 571247160 /nfs/dbraw/zinc/24/71/60/571247160.db2.gz OHVKUZKKWAZCKW-UYAOXDASSA-N 1 0 357.494 4.044 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccccc1 ZINC000036341581 571248399 /nfs/dbraw/zinc/24/83/99/571248399.db2.gz RXQKBAKNSXDWJJ-QFIPXVFZSA-N 1 0 363.505 4.323 50 0 FIAARO COC(=O)c1ccc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)o1 ZINC000006848095 571250467 /nfs/dbraw/zinc/25/04/67/571250467.db2.gz WTSULWNBHISQOK-UHFFFAOYSA-N 1 0 356.447 4.056 50 0 FIAARO CC(C)[NH+]1CCC(Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000036618610 571258130 /nfs/dbraw/zinc/25/81/30/571258130.db2.gz CHLXHTCKHSYIGB-UHFFFAOYSA-N 1 0 364.415 4.447 50 0 FIAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000036710017 571261942 /nfs/dbraw/zinc/26/19/42/571261942.db2.gz VXKXPUJXHLYGTC-OAQYLSRUSA-N 1 0 366.480 4.028 50 0 FIAARO COCCOCCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)cc1 ZINC000170607381 571267373 /nfs/dbraw/zinc/26/73/73/571267373.db2.gz SVNXTEQJVOPTIP-IBGZPJMESA-N 1 0 357.494 4.230 50 0 FIAARO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)C1 ZINC000089840212 571273583 /nfs/dbraw/zinc/27/35/83/571273583.db2.gz JEINXLAMQOMLIB-AWEZNQCLSA-N 1 0 367.415 4.022 50 0 FIAARO CC(C)CC[N@@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037356554 571275006 /nfs/dbraw/zinc/27/50/06/571275006.db2.gz VSWVHWGNPLDBIN-INIZCTEOSA-N 1 0 374.916 4.479 50 0 FIAARO COc1cc(C[NH2+]CC[C@]2(c3ccccc3)CCOC(C)(C)C2)ccc1O ZINC000004026777 571293012 /nfs/dbraw/zinc/29/30/12/571293012.db2.gz BTRKQQZHDJJSEA-QHCPKHFHSA-N 1 0 369.505 4.408 50 0 biogenic FIAARO c1ccc(CNCC(C[NH2+]Cc2ccccc2)OCc2ccccc2)cc1 ZINC000071788913 571309174 /nfs/dbraw/zinc/30/91/74/571309174.db2.gz VEWAVIZCCYAISZ-UHFFFAOYSA-N 1 0 360.501 4.151 50 0 FIAARO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCC(C)(C)CC1 ZINC000095453865 571329921 /nfs/dbraw/zinc/32/99/21/571329921.db2.gz VHWJDLPPIYGOSO-UHFFFAOYSA-N 1 0 359.514 4.122 50 0 FIAARO Fc1ccc(C2([NH2+]Cc3ccc(F)c4cccnc34)CCOCC2)cc1 ZINC000095953321 571332780 /nfs/dbraw/zinc/33/27/80/571332780.db2.gz QEPUAPLQVPFHKC-UHFFFAOYSA-N 1 0 354.400 4.309 50 0 FIAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000095983707 571333394 /nfs/dbraw/zinc/33/33/94/571333394.db2.gz WZWRUHLLHMZFMJ-PXNSSMCTSA-N 1 0 367.468 4.228 50 0 FIAARO COc1ccc(C(=O)C(C)(C)[NH2+]CCSCc2ccccc2)cc1OC ZINC000096027312 571334171 /nfs/dbraw/zinc/33/41/71/571334171.db2.gz KBAFJXPFFYUAKA-UHFFFAOYSA-N 1 0 373.518 4.188 50 0 FIAARO C[NH+](C)CCCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002753002 571340805 /nfs/dbraw/zinc/34/08/05/571340805.db2.gz WCKWGVKRFUJPIM-UHFFFAOYSA-N 1 0 362.473 4.100 50 0 FIAARO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810636 571343396 /nfs/dbraw/zinc/34/33/96/571343396.db2.gz LMJIMYOJVOMEEH-LJQANCHMSA-N 1 0 360.860 4.057 50 0 FIAARO CC(C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003041943 571343931 /nfs/dbraw/zinc/34/39/31/571343931.db2.gz JDVWEFBOINBNTD-UHFFFAOYSA-N 1 0 359.461 4.207 50 0 FIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c1 ZINC000003049955 571344217 /nfs/dbraw/zinc/34/42/17/571344217.db2.gz WERYMCUKFHYFNP-KRWDZBQOSA-N 1 0 356.539 4.020 50 0 FIAARO C[C@H](NC(=S)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211455 571345597 /nfs/dbraw/zinc/34/55/97/571345597.db2.gz LDSSHFVKURPSKD-WMLDXEAASA-N 1 0 351.585 4.070 50 0 FIAARO S=C(Nc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003287059 571346673 /nfs/dbraw/zinc/34/66/73/571346673.db2.gz VFQCUBOUTDETBK-UHFFFAOYSA-N 1 0 359.926 4.291 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C(C)C)cc1 ZINC000003416964 571349283 /nfs/dbraw/zinc/34/92/83/571349283.db2.gz ACFMQNZEFSOBOS-KNQAVFIVSA-N 1 0 369.505 4.395 50 0 FIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000032398879 571357348 /nfs/dbraw/zinc/35/73/48/571357348.db2.gz LRMXVODIUCNQFK-UHFFFAOYSA-N 1 0 363.288 4.172 50 0 FIAARO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc12 ZINC000008076459 571358832 /nfs/dbraw/zinc/35/88/32/571358832.db2.gz SXJPEXNFEMZRKB-IBGZPJMESA-N 1 0 364.445 4.008 50 0 FIAARO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000182528234 1125544792 /nfs/dbraw/zinc/54/47/92/1125544792.db2.gz BTOUAABGFPHTMI-OAQYLSRUSA-N 1 0 352.453 4.115 50 0 FIAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000023279617 1083670996 /nfs/dbraw/zinc/67/09/96/1083670996.db2.gz HRPGSHSZVAUYET-UHFFFAOYSA-N 1 0 365.473 4.273 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000581807038 1084620077 /nfs/dbraw/zinc/62/00/77/1084620077.db2.gz AMZPLFWLKORLRD-GOSISDBHSA-N 1 0 369.484 4.079 50 0 FIAARO CC(C)CC(=O)N1CCC(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000581810503 1084624162 /nfs/dbraw/zinc/62/41/62/1084624162.db2.gz XGQYLFRRMDEKRK-UHFFFAOYSA-N 1 0 356.554 4.500 50 0 FIAARO Cc1ccc2sc(C(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000412539512 1085862222 /nfs/dbraw/zinc/86/22/22/1085862222.db2.gz KASBVGYNCJMBDJ-JXFKEZNVSA-N 1 0 365.502 4.028 50 0 FIAARO CC[NH2+]Cc1ccccc1NC(=O)N1CCc2ccccc2C(C)(C)C1 ZINC000659019180 1087919293 /nfs/dbraw/zinc/91/92/93/1087919293.db2.gz ODUDKEYQOJCAOQ-UHFFFAOYSA-N 1 0 351.494 4.164 50 0 FIAARO Cc1nc([C@H]2CC23CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC3)no1 ZINC000257180630 1090277275 /nfs/dbraw/zinc/27/72/75/1090277275.db2.gz DRMFFBPBYFYYGF-OAHLLOKOSA-N 1 0 351.372 4.167 50 0 FIAARO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2CCc2noc(-c3ccccc3)n2)cn1 ZINC000675019083 1090900720 /nfs/dbraw/zinc/90/07/20/1090900720.db2.gz ACBVQFIOGWQIEQ-LJQANCHMSA-N 1 0 365.481 4.111 50 0 FIAARO Cc1nc2ccc(N(C)C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)cc2s1 ZINC000083005423 1113389936 /nfs/dbraw/zinc/38/99/36/1113389936.db2.gz XUJJCJOISBSSRK-OAHLLOKOSA-N 1 0 357.523 4.222 50 0 FIAARO CC(C)(C)CC[N@@H+]1CCC[C@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169765285 1115681574 /nfs/dbraw/zinc/68/15/74/1115681574.db2.gz MMIGQMXBVHMIEM-KRWDZBQOSA-N 1 0 358.526 4.106 50 0 FIAARO COc1cccc(C[N@@H+]2CCCCCCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257195285 1115728205 /nfs/dbraw/zinc/72/82/05/1115728205.db2.gz VTONOSGBRZAVID-QFIPXVFZSA-N 1 0 366.505 4.319 50 0 FIAARO Cc1cccc(NC(=O)N2CCN(c3ccncc3Cl)CC2)c1Cl ZINC000154340716 1122246167 /nfs/dbraw/zinc/24/61/67/1122246167.db2.gz ZVTJDYMWPHMSTJ-UHFFFAOYSA-N 1 0 365.264 4.051 50 0 FIAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(F)cc1Cl ZINC000011874831 1125403652 /nfs/dbraw/zinc/40/36/52/1125403652.db2.gz PCYSRIHFIJDDTL-OAHLLOKOSA-N 1 0 352.881 4.396 50 0 FIAARO Cc1[nH]c2c(cc(F)cc2C[NH2+]Cc2cccn2-c2nccs2)c1C ZINC000011879831 1125412221 /nfs/dbraw/zinc/41/22/21/1125412221.db2.gz PMKRHQNUMUODJU-UHFFFAOYSA-N 1 0 354.454 4.461 50 0 FIAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000215450681 222647620 /nfs/dbraw/zinc/64/76/20/222647620.db2.gz IVRJIWFAZFVRHP-UHFFFAOYSA-N 1 0 365.452 4.363 50 0 FIAARO C[C@@H](C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 ZINC000000785798 219320759 /nfs/dbraw/zinc/32/07/59/219320759.db2.gz MKGWRVSCBAINJD-IBGZPJMESA-N 1 0 350.506 4.161 50 0 FIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000000819274 219325253 /nfs/dbraw/zinc/32/52/53/219325253.db2.gz XCTSRNBKVVVKJI-UHFFFAOYSA-N 1 0 350.506 4.256 50 0 FIAARO CC[NH+](CC)C[C@H](O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000001195366 219387346 /nfs/dbraw/zinc/38/73/46/219387346.db2.gz ACNLGPOKXXZHIW-HNNXBMFYSA-N 1 0 357.885 4.059 50 0 FIAARO C[C@H](C[NH+]1CCCCC1)OC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001300550 219393524 /nfs/dbraw/zinc/39/35/24/219393524.db2.gz HTGGGQRKDDWKKW-MRXNPFEDSA-N 1 0 351.446 4.342 50 0 FIAARO CC(=O)Nc1cc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000225567084 222850623 /nfs/dbraw/zinc/85/06/23/222850623.db2.gz FBZAGYVPGFYGIY-CRAIPNDOSA-N 1 0 355.457 4.107 50 0 FIAARO CC(C)(C)[NH2+]C/C=C(\Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000004840493 219612690 /nfs/dbraw/zinc/61/26/90/219612690.db2.gz CKUDSVRGAVWIRI-JXAWBTAJSA-N 1 0 365.506 4.184 50 0 FIAARO CCCC(=O)N(CCC[NH+](C)C)c1nc2c(s1)c(Cl)ccc2OC ZINC000005256930 219666188 /nfs/dbraw/zinc/66/61/88/219666188.db2.gz WYRHVTKEFWDCKO-UHFFFAOYSA-N 1 0 369.918 4.043 50 0 FIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000006877193 219778610 /nfs/dbraw/zinc/77/86/10/219778610.db2.gz SLZSHWOVRKIDEA-UHFFFAOYSA-N 1 0 367.896 4.455 50 0 FIAARO COc1ccc(Cl)cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448283 219806148 /nfs/dbraw/zinc/80/61/48/219806148.db2.gz FHSUSAKCPMCXLK-UHFFFAOYSA-N 1 0 372.896 4.265 50 0 FIAARO CCCOc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1 ZINC000008613226 219865057 /nfs/dbraw/zinc/86/50/57/219865057.db2.gz CUFPPKQGAUNEED-FQEVSTJZSA-N 1 0 358.526 4.346 50 0 FIAARO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCc1cccs1 ZINC000008728573 219867904 /nfs/dbraw/zinc/86/79/04/219867904.db2.gz WNPCJPOASVJAQL-LBPRGKRZSA-N 1 0 356.413 4.316 50 0 FIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CCc1ccc(Cl)cc1 ZINC000299766125 223085785 /nfs/dbraw/zinc/08/57/85/223085785.db2.gz ASTHPAXZUZNDAR-LJQANCHMSA-N 1 0 374.887 4.193 50 0 FIAARO O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000299769898 223089740 /nfs/dbraw/zinc/08/97/40/223089740.db2.gz OLNSVXXIRDERNV-AEFFLSMTSA-N 1 0 371.431 4.093 50 0 FIAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2C)oc1C ZINC000011754227 219931311 /nfs/dbraw/zinc/93/13/11/219931311.db2.gz FBHPEGDWTNEKNZ-KRWDZBQOSA-N 1 0 358.482 4.276 50 0 FIAARO COCC[N@H+](C)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012612321 220013249 /nfs/dbraw/zinc/01/32/49/220013249.db2.gz VLVCMGVKIWVTRK-UHFFFAOYSA-N 1 0 373.859 4.410 50 0 FIAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCC(C)C)C3)C2)c1OC ZINC000012711549 220019455 /nfs/dbraw/zinc/01/94/55/220019455.db2.gz VHHPWQPITRZTBU-JOCHJYFZSA-N 1 0 360.542 4.038 50 0 FIAARO C[C@H](NCc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccccc2)o1 ZINC000012739486 220023286 /nfs/dbraw/zinc/02/32/86/220023286.db2.gz IYIVUMUMOKOSKF-KRWDZBQOSA-N 1 0 362.477 4.183 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012791884 220030622 /nfs/dbraw/zinc/03/06/22/220030622.db2.gz IZNARHBXZJCQRD-UHFFFAOYSA-N 1 0 354.538 4.361 50 0 FIAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012792115 220030777 /nfs/dbraw/zinc/03/07/77/220030777.db2.gz RSXIYSRUKDUKKR-KRWDZBQOSA-N 1 0 373.884 4.389 50 0 FIAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 ZINC000012853943 220036181 /nfs/dbraw/zinc/03/61/81/220036181.db2.gz OCXDEJCXIYFXMB-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCc2ccc(O)cc2)n1 ZINC000012858171 220036706 /nfs/dbraw/zinc/03/67/06/220036706.db2.gz JOWLYYVJSPSRBC-UHFFFAOYSA-N 1 0 370.522 4.468 50 0 FIAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)NCCC1=CCCCC1 ZINC000012893338 220040035 /nfs/dbraw/zinc/04/00/35/220040035.db2.gz DBKJWYUHZCQEME-UHFFFAOYSA-N 1 0 365.521 4.354 50 0 FIAARO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012987350 220049933 /nfs/dbraw/zinc/04/99/33/220049933.db2.gz VCPLGSDSLJBGFJ-NRFANRHFSA-N 1 0 368.477 4.260 50 0 FIAARO Cc1ccccc1NC(=S)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000013524071 220070711 /nfs/dbraw/zinc/07/07/11/220070711.db2.gz UJFOSNOWWDWPIN-MSOLQXFVSA-N 1 0 353.535 4.365 50 0 FIAARO Cn1cc(C[NH2+]C[C@H]2CCCO2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000013595986 220077719 /nfs/dbraw/zinc/07/77/19/220077719.db2.gz QQBJIDNYPIZBIU-OAQYLSRUSA-N 1 0 363.461 4.148 50 0 FIAARO S=C(Nc1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000013692824 220087336 /nfs/dbraw/zinc/08/73/36/220087336.db2.gz PAMCBECJVPIRPN-OAHLLOKOSA-N 1 0 351.947 4.377 50 0 FIAARO COc1cc(C[NH2+]CCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013724578 220088992 /nfs/dbraw/zinc/08/89/92/220088992.db2.gz ZBXQDGRMVXPNQM-UHFFFAOYSA-N 1 0 370.493 4.157 50 0 FIAARO COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1 ZINC000014241373 220118422 /nfs/dbraw/zinc/11/84/22/220118422.db2.gz FCETVDKRAMIBII-GFCCVEGCSA-N 1 0 352.356 4.003 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH2+]CC3(C)COC3)c(-c3ccccc3)n2)c1 ZINC000014968542 220136511 /nfs/dbraw/zinc/13/65/11/220136511.db2.gz CBPAFIKTYCBIOK-UHFFFAOYSA-N 1 0 361.489 4.282 50 0 FIAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000015062475 220142772 /nfs/dbraw/zinc/14/27/72/220142772.db2.gz WZYULIGUMLPUMM-KRWDZBQOSA-N 1 0 367.474 4.254 50 0 FIAARO OCC1(Cc2cccc(F)c2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000015065658 220143872 /nfs/dbraw/zinc/14/38/72/220143872.db2.gz CBSCLPCXXUXLNR-UHFFFAOYSA-N 1 0 352.453 4.124 50 0 FIAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000015073899 220145179 /nfs/dbraw/zinc/14/51/79/220145179.db2.gz YYQOXWXQSUXALR-NRFANRHFSA-N 1 0 350.462 4.175 50 0 FIAARO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](CC=C(C)C)C2)cc(OC)c1 ZINC000015074329 220145533 /nfs/dbraw/zinc/14/55/33/220145533.db2.gz DZSQQUXAKXDBFC-QGZVFWFLSA-N 1 0 360.498 4.101 50 0 FIAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000015669118 220158460 /nfs/dbraw/zinc/15/84/60/220158460.db2.gz ZOUGCPXPVXDTFE-UHFFFAOYSA-N 1 0 354.498 4.171 50 0 FIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000015582269 220155930 /nfs/dbraw/zinc/15/59/30/220155930.db2.gz LSASZFFEBIUGBC-UHFFFAOYSA-N 1 0 371.488 4.024 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2ccc(OC)cc2)nc2ccccc21 ZINC000015781550 220165000 /nfs/dbraw/zinc/16/50/00/220165000.db2.gz ORDWDTMOGIKMOU-KRWDZBQOSA-N 1 0 362.477 4.202 50 0 FIAARO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000016342878 220182342 /nfs/dbraw/zinc/18/23/42/220182342.db2.gz GWEFQZUJNFAPTJ-QGZVFWFLSA-N 1 0 362.926 4.369 50 0 FIAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccc3Br)CC2)C1 ZINC000019361681 220253811 /nfs/dbraw/zinc/25/38/11/220253811.db2.gz YKBXEVRDBOQIHE-RDJZCZTQSA-N 1 0 351.332 4.145 50 0 FIAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Br ZINC000019720416 220292431 /nfs/dbraw/zinc/29/24/31/220292431.db2.gz IXWKMLQQENSJDM-UHFFFAOYSA-N 1 0 354.675 4.443 50 0 FIAARO COc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000019720332 220292462 /nfs/dbraw/zinc/29/24/62/220292462.db2.gz VBXLVNCSGPDPJJ-UHFFFAOYSA-N 1 0 354.675 4.443 50 0 FIAARO O=C(NCCc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019761417 220294752 /nfs/dbraw/zinc/29/47/52/220294752.db2.gz AQMSYSXSONYCBK-UHFFFAOYSA-N 1 0 370.496 4.217 50 0 FIAARO CC(C)c1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1cccnc1S2 ZINC000019802359 220298188 /nfs/dbraw/zinc/29/81/88/220298188.db2.gz QPQJZKXMKKTUNP-LJQANCHMSA-N 1 0 353.535 4.201 50 0 FIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C1 ZINC000019842152 220301963 /nfs/dbraw/zinc/30/19/63/220301963.db2.gz UZQXHUBUCWXUHG-QAPCUYQASA-N 1 0 351.332 4.145 50 0 FIAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(Br)cc1 ZINC000020111863 220311835 /nfs/dbraw/zinc/31/18/35/220311835.db2.gz ARCHQKJHEJFLGX-QGZVFWFLSA-N 1 0 357.251 4.174 50 0 biogenic FIAARO CCOc1cc2c(cc1OCC)[C@H](c1cc(F)c(F)c(F)c1)[NH2+]CC2 ZINC000020506975 220331873 /nfs/dbraw/zinc/33/18/73/220331873.db2.gz RCVMBCBJDKISLF-IBGZPJMESA-N 1 0 351.368 4.136 50 0 FIAARO Clc1ccc(COc2cccc(C[NH2+][C@H]3CN4CCC3CC4)c2)cc1 ZINC000020477048 220327887 /nfs/dbraw/zinc/32/78/87/220327887.db2.gz UVFIQQYYYZCSKJ-NRFANRHFSA-N 1 0 356.897 4.103 50 0 FIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC(F)F)cc1)[NH2+]CC2 ZINC000020507012 220331050 /nfs/dbraw/zinc/33/10/50/220331050.db2.gz SINHLHQOSAWPRQ-LJQANCHMSA-N 1 0 363.404 4.321 50 0 FIAARO CCCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000021148658 220353630 /nfs/dbraw/zinc/35/36/30/220353630.db2.gz JTVZKXSXDRTEKB-HXUWFJFHSA-N 1 0 358.526 4.346 50 0 FIAARO CCC[C@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169777 220354691 /nfs/dbraw/zinc/35/46/91/220354691.db2.gz UOXZQEYPNAMLJI-PKTZIBPZSA-N 1 0 353.506 4.099 50 0 FIAARO CCCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170214 220355094 /nfs/dbraw/zinc/35/50/94/220355094.db2.gz CCPOVOVGQICJJL-GOTSBHOMSA-N 1 0 371.496 4.320 50 0 FIAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714590 220363437 /nfs/dbraw/zinc/36/34/37/220363437.db2.gz QPTWCPMBVWNHQF-UHFFFAOYSA-N 1 0 359.861 4.082 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000021714606 220363860 /nfs/dbraw/zinc/36/38/60/220363860.db2.gz YBLSZWAOKPOENU-CQSZACIVSA-N 1 0 369.444 4.100 50 0 FIAARO O[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(F)cc21 ZINC000021793128 220367512 /nfs/dbraw/zinc/36/75/12/220367512.db2.gz FTSALQASLFJFPG-JOCHJYFZSA-N 1 0 352.453 4.295 50 0 FIAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CO)oc(C)c2-c1ccccc1 ZINC000022077755 220377050 /nfs/dbraw/zinc/37/70/50/220377050.db2.gz GZLKTPCWFHUZQK-GOSISDBHSA-N 1 0 351.446 4.374 50 0 FIAARO CCOC(=O)c1c(-c2ccccc2)c2cc(OC)ccc2n1CC[NH+](C)C ZINC000022147313 220378014 /nfs/dbraw/zinc/37/80/14/220378014.db2.gz TWNBEKJTIVEHOH-UHFFFAOYSA-N 1 0 366.461 4.055 50 0 FIAARO O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000022402688 220384951 /nfs/dbraw/zinc/38/49/51/220384951.db2.gz NFFNPYRELCVPPG-VEGGFIAOSA-N 1 0 358.869 4.290 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 ZINC000022382490 220385719 /nfs/dbraw/zinc/38/57/19/220385719.db2.gz ZMUZUHPJNDCWCZ-UHFFFAOYSA-N 1 0 362.420 4.060 50 0 FIAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000022609890 220391115 /nfs/dbraw/zinc/39/11/15/220391115.db2.gz MJVIRSKIOHMIGF-INIZCTEOSA-N 1 0 359.433 4.115 50 0 FIAARO O=C(NCc1cccs1)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022679616 220393772 /nfs/dbraw/zinc/39/37/72/220393772.db2.gz OMTKGQXDEBXTJR-QGZVFWFLSA-N 1 0 363.552 4.226 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000022759648 220396718 /nfs/dbraw/zinc/39/67/18/220396718.db2.gz IFUPFSMTSNQAMZ-HXUWFJFHSA-N 1 0 364.514 4.377 50 0 FIAARO COc1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c1 ZINC000022767040 220397020 /nfs/dbraw/zinc/39/70/20/220397020.db2.gz QDUUVFCGIHTNSJ-LJQANCHMSA-N 1 0 373.522 4.496 50 0 FIAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccccc1Br ZINC000022777828 220398902 /nfs/dbraw/zinc/39/89/02/220398902.db2.gz UYRDBXOCKKMCNB-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(Cl)c1 ZINC000048280108 221005453 /nfs/dbraw/zinc/00/54/53/221005453.db2.gz SRIQFSKMHVWDHH-LJQANCHMSA-N 1 0 372.900 4.253 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(Cl)c1 ZINC000048280111 221005554 /nfs/dbraw/zinc/00/55/54/221005554.db2.gz SRIQFSKMHVWDHH-IBGZPJMESA-N 1 0 372.900 4.253 50 0 FIAARO CN(C)C(=O)[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000048309617 221006368 /nfs/dbraw/zinc/00/63/68/221006368.db2.gz NUBLQVYZLHNSQV-GOTSBHOMSA-N 1 0 358.485 4.390 50 0 FIAARO c1sc(-c2ncccn2)nc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000048234370 221001544 /nfs/dbraw/zinc/00/15/44/221001544.db2.gz CJIFTVGMCIBUHI-SFHVURJKSA-N 1 0 350.491 4.197 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000055154870 221060226 /nfs/dbraw/zinc/06/02/26/221060226.db2.gz CRGCYHBDYDVQJC-QGZVFWFLSA-N 1 0 370.545 4.184 50 0 FIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N[C@H](C)Cc2ncccc2C)cc1 ZINC000055183128 221060885 /nfs/dbraw/zinc/06/08/85/221060885.db2.gz AELCLFGMNQTIGB-LJQANCHMSA-N 1 0 367.537 4.373 50 0 FIAARO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000053019179 221041359 /nfs/dbraw/zinc/04/13/59/221041359.db2.gz UIZAXLJSTOXRKW-UHFFFAOYSA-N 1 0 362.832 4.035 50 0 FIAARO Cc1cccn2c(=O)cc(C[NH2+][C@H](c3ccc(F)cc3)C(C)(C)C)nc12 ZINC000053644241 221046906 /nfs/dbraw/zinc/04/69/06/221046906.db2.gz FVSWRCMAMSWESH-LJQANCHMSA-N 1 0 353.441 4.019 50 0 FIAARO C[NH+](C)CCOc1ccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000056664292 221081981 /nfs/dbraw/zinc/08/19/81/221081981.db2.gz GOAJRMSECGPVOJ-IBGZPJMESA-N 1 0 373.884 4.089 50 0 FIAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000057383335 221087380 /nfs/dbraw/zinc/08/73/80/221087380.db2.gz AHGXZQZAKMPWIW-LBPRGKRZSA-N 1 0 352.356 4.003 50 0 FIAARO COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)[NH+](C)C)c1 ZINC000057288416 221085879 /nfs/dbraw/zinc/08/58/79/221085879.db2.gz FXIDENPXKJZLRW-KRWDZBQOSA-N 1 0 367.276 4.035 50 0 FIAARO COc1ccccc1OC[C@H](C)[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055342070 221066973 /nfs/dbraw/zinc/06/69/73/221066973.db2.gz MJSOEZZLZLFGKG-KRWDZBQOSA-N 1 0 363.461 4.018 50 0 FIAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000055369851 221067215 /nfs/dbraw/zinc/06/72/15/221067215.db2.gz CZIJONVUZHHJMK-HXUWFJFHSA-N 1 0 361.507 4.083 50 0 FIAARO COc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1O ZINC000058163616 221101441 /nfs/dbraw/zinc/10/14/41/221101441.db2.gz YBGUVUPWKZVPGJ-UHFFFAOYSA-N 1 0 354.381 4.017 50 0 FIAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000058169401 221102854 /nfs/dbraw/zinc/10/28/54/221102854.db2.gz CGADNZHJVCBUFX-IBGZPJMESA-N 1 0 371.550 4.123 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000057620369 221092327 /nfs/dbraw/zinc/09/23/27/221092327.db2.gz SSIFODYPXIUDGD-OAHLLOKOSA-N 1 0 357.885 4.230 50 0 FIAARO O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000057940715 221095149 /nfs/dbraw/zinc/09/51/49/221095149.db2.gz RHTWNPZPZPSNGP-IBGZPJMESA-N 1 0 370.541 4.159 50 0 FIAARO CO[C@H](C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl)c1ccccc1 ZINC000060528374 221132337 /nfs/dbraw/zinc/13/23/37/221132337.db2.gz BITOLRRNXCVENX-HXUWFJFHSA-N 1 0 369.896 4.371 50 0 FIAARO FC(F)(F)c1nc2ccccc2c(NCCC[NH+]2Cc3ccccc3C2)n1 ZINC000060847102 221132762 /nfs/dbraw/zinc/13/27/62/221132762.db2.gz AJTMPWSUBGBNCV-UHFFFAOYSA-N 1 0 372.394 4.466 50 0 FIAARO CCCC[NH+](CCCC)CCCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058365128 221116243 /nfs/dbraw/zinc/11/62/43/221116243.db2.gz LHOFXSJTFYWBQJ-UHFFFAOYSA-N 1 0 372.557 4.037 50 0 FIAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl ZINC000058377483 221117075 /nfs/dbraw/zinc/11/70/75/221117075.db2.gz OCMWSBZAPCZYAK-INIZCTEOSA-N 1 0 373.349 4.066 50 0 FIAARO Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000058441575 221120750 /nfs/dbraw/zinc/12/07/50/221120750.db2.gz UMZWLLSJVHWNHZ-QGZVFWFLSA-N 1 0 357.473 4.217 50 0 FIAARO CCC[C@@H](Cn1cnc(-c2ccccc2)c1-c1cncn1CC)[NH+](C)C ZINC000065370037 221203504 /nfs/dbraw/zinc/20/35/04/221203504.db2.gz LEBOSQATELEKPB-SFHVURJKSA-N 1 0 351.498 4.164 50 0 FIAARO CCC[C@H](Cn1cnc(-c2ccccc2)c1-c1cncn1CC)[NH+](C)C ZINC000065370038 221203566 /nfs/dbraw/zinc/20/35/66/221203566.db2.gz LEBOSQATELEKPB-GOSISDBHSA-N 1 0 351.498 4.164 50 0 FIAARO C[NH+](C)Cc1ccccc1Cn1cnc(-c2ccccc2)c1-c1c[nH]cn1 ZINC000065407993 221214936 /nfs/dbraw/zinc/21/49/36/221214936.db2.gz RUNVFFQVATZNMD-UHFFFAOYSA-N 1 0 357.461 4.050 50 0 FIAARO COc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000065465045 221223144 /nfs/dbraw/zinc/22/31/44/221223144.db2.gz INOGHVKHNOSNPK-MRXNPFEDSA-N 1 0 352.478 4.488 50 0 FIAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CC[C@H]1CCOC1)C2 ZINC000067446717 221254432 /nfs/dbraw/zinc/25/44/32/221254432.db2.gz SMIRMQSMQYALGT-HNNXBMFYSA-N 1 0 373.880 4.334 50 0 FIAARO CCc1nccn1CC[N@@H+]1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067490344 221257334 /nfs/dbraw/zinc/25/73/34/221257334.db2.gz NUCTWMVDLTXCHM-UHFFFAOYSA-N 1 0 372.472 4.312 50 0 FIAARO COc1cc(-c2cccs2)cc2c1OCCN(CC[C@H]1CCC[N@@H+]1C)C2 ZINC000067714541 221276458 /nfs/dbraw/zinc/27/64/58/221276458.db2.gz PAKAFSDOOTZWIZ-GOSISDBHSA-N 1 0 372.534 4.102 50 0 FIAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2c(C)n[nH]c2C)C1 ZINC000067677163 221270842 /nfs/dbraw/zinc/27/08/42/221270842.db2.gz BNFNMIQRKBXAIT-IBGZPJMESA-N 1 0 363.509 4.138 50 0 FIAARO O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CCCCCCC3)cc2)[nH]1 ZINC000067713288 221274649 /nfs/dbraw/zinc/27/46/49/221274649.db2.gz RTZWAQJLIUXNIY-UHFFFAOYSA-N 1 0 374.488 4.265 50 0 FIAARO Clc1ccc(-c2noc3c2C[N@H+](CCOc2ccccc2)CC3)cc1 ZINC000067757671 221281985 /nfs/dbraw/zinc/28/19/85/221281985.db2.gz KDKIHRAEHRIHOH-UHFFFAOYSA-N 1 0 354.837 4.432 50 0 FIAARO CC[N@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)[C@H]1CCOC(C)(C)C1 ZINC000067868645 221297139 /nfs/dbraw/zinc/29/71/39/221297139.db2.gz NPSGVLZTQQRKJB-IBGZPJMESA-N 1 0 364.493 4.176 50 0 FIAARO Cc1ccsc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1cccc2ncccc21 ZINC000067883849 221301452 /nfs/dbraw/zinc/30/14/52/221301452.db2.gz QQBNVILNBKFVQX-NRFANRHFSA-N 1 0 360.486 4.476 50 0 FIAARO Nc1ncccc1C[NH+]1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067966473 221311073 /nfs/dbraw/zinc/31/10/73/221311073.db2.gz JJLQICKGSWWTCO-UHFFFAOYSA-N 1 0 367.884 4.087 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1sc(Nc2ccc(C)cc2C)nc1C ZINC000071326658 221343076 /nfs/dbraw/zinc/34/30/76/221343076.db2.gz HOBRRATUJBULEV-UHFFFAOYSA-N 1 0 374.554 4.274 50 0 FIAARO Cn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071746996 221359702 /nfs/dbraw/zinc/35/97/02/221359702.db2.gz HGQOZPNXVVFBBE-OAHLLOKOSA-N 1 0 351.416 4.284 50 0 FIAARO O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072149855 221428116 /nfs/dbraw/zinc/42/81/16/221428116.db2.gz XKLHRLNFPJXFFA-MRXNPFEDSA-N 1 0 358.445 4.154 50 0 FIAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000072174195 221448855 /nfs/dbraw/zinc/44/88/55/221448855.db2.gz SIALMLAGMNORRX-GOSISDBHSA-N 1 0 359.514 4.089 50 0 FIAARO Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)Nc3ccccc3NC4=O)c2c1 ZINC000082107709 132195414 /nfs/dbraw/zinc/19/54/14/132195414.db2.gz NVNMNDONSLCNQD-UHFFFAOYSA-N 1 0 372.472 4.255 50 0 FIAARO c1cn(Cc2cccnc2)c(C2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000091663265 132203122 /nfs/dbraw/zinc/20/31/22/132203122.db2.gz IXMCJUGOYFQCCG-UHFFFAOYSA-N 1 0 369.472 4.259 50 0 FIAARO Cc1nc2c3ccccc3oc2c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057122072 136128221 /nfs/dbraw/zinc/12/82/21/136128221.db2.gz RBNYBTIXKJRWOX-UHFFFAOYSA-N 1 0 358.445 4.007 50 0 FIAARO CC(C)n1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343585 222116444 /nfs/dbraw/zinc/11/64/44/222116444.db2.gz GSRDONGTRQHMLT-YLJYHZDGSA-N 1 0 353.510 4.217 50 0 FIAARO Cc1ccc(Oc2ccc(NC(=O)N(C)CCCC[NH+](C)C)cn2)cc1C ZINC000097164643 222166313 /nfs/dbraw/zinc/16/63/13/222166313.db2.gz RCLJFGAUCITZQP-UHFFFAOYSA-N 1 0 370.497 4.296 50 0 FIAARO CC[NH+](CC)Cc1cccc(NC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c1 ZINC000097272507 222172072 /nfs/dbraw/zinc/17/20/72/222172072.db2.gz ZHBXFYQQOIEKCW-GOSISDBHSA-N 1 0 368.525 4.327 50 0 FIAARO Cc1cccnc1CN(Cc1ccccc1)C(=O)CCC1CC[NH+](C)CC1 ZINC000097347439 222175688 /nfs/dbraw/zinc/17/56/88/222175688.db2.gz VMECKYDOHIBYHG-UHFFFAOYSA-N 1 0 365.521 4.041 50 0 FIAARO CC(C)(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000101772548 222283829 /nfs/dbraw/zinc/28/38/29/222283829.db2.gz GSJIGYLGKSBYBC-OSYLJGHBSA-N 1 0 369.336 4.337 50 0 in-vitro FIAARO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000008830901 263357629 /nfs/dbraw/zinc/35/76/29/263357629.db2.gz MJVMAUDRTHLCDV-GOSISDBHSA-N 1 0 360.542 4.266 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(OC)c1 ZINC000011955293 263369108 /nfs/dbraw/zinc/36/91/08/263369108.db2.gz BEASWBBMTGTMCF-QGZVFWFLSA-N 1 0 373.880 4.452 50 0 FIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1cccc(F)c1 ZINC000311965036 534430310 /nfs/dbraw/zinc/43/03/10/534430310.db2.gz KCOBKLHBMOEZOU-OAQYLSRUSA-N 1 0 351.421 4.228 50 0 FIAARO CCN1CC[NH+](CCCCOc2ccccc2Cc2ccccc2)CC1 ZINC000020390255 521680291 /nfs/dbraw/zinc/68/02/91/521680291.db2.gz QCHGJWKCMXRHAE-UHFFFAOYSA-N 1 0 352.522 4.074 50 0 FIAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000063848673 534605977 /nfs/dbraw/zinc/60/59/77/534605977.db2.gz ZJUQVZHFYKEHOG-UHFFFAOYSA-N 1 0 367.493 4.119 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)cc1F ZINC000020889661 525155348 /nfs/dbraw/zinc/15/53/48/525155348.db2.gz QNCQFESGHDEIKC-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000020889731 525155996 /nfs/dbraw/zinc/15/59/96/525155996.db2.gz GSZHHQWGFVOVAB-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO COc1cccc(-c2cccc(N3CCC([NH2+]Cc4ccon4)CC3)c2)c1 ZINC000020996892 525713114 /nfs/dbraw/zinc/71/31/14/525713114.db2.gz YXORUGILMBNXGK-UHFFFAOYSA-N 1 0 363.461 4.109 50 0 FIAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000020454002 526222357 /nfs/dbraw/zinc/22/23/57/526222357.db2.gz UEOIJBWJXKOHRS-INIZCTEOSA-N 1 0 357.498 4.005 50 0 FIAARO CSc1nnc(CC2CC[NH+](Cc3ccoc3)CC2)n1-c1ccccc1 ZINC000082086660 526227042 /nfs/dbraw/zinc/22/70/42/526227042.db2.gz LHPYSVFSDVWRMQ-UHFFFAOYSA-N 1 0 368.506 4.037 50 0 FIAARO Clc1ccc([C@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)cc1 ZINC000020385282 526963369 /nfs/dbraw/zinc/96/33/69/526963369.db2.gz CXZVREGFEMZQGR-HNNXBMFYSA-N 1 0 354.841 4.165 50 0 FIAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000020472196 527522575 /nfs/dbraw/zinc/52/25/75/527522575.db2.gz XAQKQESCJHJFOD-UHFFFAOYSA-N 1 0 364.489 4.212 50 0 FIAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000019229034 537068869 /nfs/dbraw/zinc/06/88/69/537068869.db2.gz FUTDSOJBYKZGQX-OAQYLSRUSA-N 1 0 371.569 4.004 50 0 FIAARO Clc1cccc(CN2CCC[N@H+](Cc3ccccn3)CC2)c1Cl ZINC000215250071 568060073 /nfs/dbraw/zinc/06/00/73/568060073.db2.gz BFXRZAVQILYDDA-UHFFFAOYSA-N 1 0 350.293 4.096 50 0 FIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4noc(C)n4)C3)o2)cc1 ZINC000215340174 568064768 /nfs/dbraw/zinc/06/47/68/568064768.db2.gz WCCYHVLHZONAOM-INIZCTEOSA-N 1 0 353.422 4.026 50 0 FIAARO FC(F)(F)c1ccccc1C[N@@H+](Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215402300 568068355 /nfs/dbraw/zinc/06/83/55/568068355.db2.gz HALPDSFGLBYAKP-KRWDZBQOSA-N 1 0 350.384 4.282 50 0 FIAARO c1ccc(CN2CCC[N@H+](Cc3ccccc3OC3CCCC3)CC2)nc1 ZINC000215498307 568073775 /nfs/dbraw/zinc/07/37/75/568073775.db2.gz XTWLYIJPXIDFAE-UHFFFAOYSA-N 1 0 365.521 4.111 50 0 FIAARO c1cc([C@@H]2CCCCO2)sc1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC000216134071 568107543 /nfs/dbraw/zinc/10/75/43/568107543.db2.gz ZPRCEAZIYFQZIP-IBGZPJMESA-N 1 0 358.507 4.428 50 0 FIAARO CSCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008430302 568314364 /nfs/dbraw/zinc/31/43/64/568314364.db2.gz HXDDLCRHVALOIV-UHFFFAOYSA-N 1 0 354.519 4.075 50 0 FIAARO CCc1nc(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)cs1 ZINC000095359137 570453873 /nfs/dbraw/zinc/45/38/73/570453873.db2.gz ACXRNIDDGVBYFG-PZJWPPBQSA-N 1 0 369.578 4.235 50 0 FIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](c2ccccc2F)C1 ZINC000095372373 570456852 /nfs/dbraw/zinc/45/68/52/570456852.db2.gz PAXWYOOHIHUYDP-HXUWFJFHSA-N 1 0 366.480 4.441 50 0 FIAARO Fc1cccc(CNC2=[NH+]CCNC23CCC(c2ccccc2)CC3)c1 ZINC000046153263 570459124 /nfs/dbraw/zinc/45/91/24/570459124.db2.gz IARHAWNHNVXNRM-UHFFFAOYSA-N 1 0 351.469 4.014 50 0 biogenic FIAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nccn3Cc3cscn3)C2)c(C)c1 ZINC000095391953 570461339 /nfs/dbraw/zinc/46/13/39/570461339.db2.gz WHTPUYBECQFACU-IBGZPJMESA-N 1 0 366.534 4.384 50 0 FIAARO C[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)n1ccnc1 ZINC000095510949 570465195 /nfs/dbraw/zinc/46/51/95/570465195.db2.gz KBFRJHINTROYSH-QGZVFWFLSA-N 1 0 369.513 4.030 50 0 FIAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCC[C@@H]1c1ccccn1 ZINC000095517912 570466526 /nfs/dbraw/zinc/46/65/26/570466526.db2.gz OQIQRIPLGDLIER-OAQYLSRUSA-N 1 0 364.493 4.437 50 0 FIAARO O=C(C1CCC1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095523500 570467810 /nfs/dbraw/zinc/46/78/10/570467810.db2.gz BSBMTKRBAIKODB-FQEVSTJZSA-N 1 0 369.553 4.255 50 0 FIAARO O=C(C1CCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095523499 570467909 /nfs/dbraw/zinc/46/79/09/570467909.db2.gz BSBMTKRBAIKODB-HXUWFJFHSA-N 1 0 369.553 4.255 50 0 FIAARO CCCCn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000002442824 570521515 /nfs/dbraw/zinc/52/15/15/570521515.db2.gz AGPKOGAZFUPJAC-UHFFFAOYSA-N 1 0 369.538 4.358 50 0 FIAARO COCCC[NH2+]CCCCOc1c(Cl)cc(C)cc1Br ZINC000003003165 570549763 /nfs/dbraw/zinc/54/97/63/570549763.db2.gz HESCYPGLRQBXBH-UHFFFAOYSA-N 1 0 364.711 4.196 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)o3)=NN12 ZINC000004899338 570555995 /nfs/dbraw/zinc/55/59/95/570555995.db2.gz CTNHNBRKPPUWNI-IBGZPJMESA-N 1 0 365.477 4.334 50 0 FIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938195 570562938 /nfs/dbraw/zinc/56/29/38/570562938.db2.gz FMNLXEJKJXHLSA-GFCCVEGCSA-N 1 0 373.909 4.317 50 0 FIAARO C[N@H+](CCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C1CCCCC1 ZINC000005051259 570579844 /nfs/dbraw/zinc/57/98/44/570579844.db2.gz SENFLEQZBFHJTO-UHFFFAOYSA-N 1 0 370.518 4.302 50 0 FIAARO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000004299570 570583851 /nfs/dbraw/zinc/58/38/51/570583851.db2.gz STSSQILVGKOLAU-UHFFFAOYSA-N 1 0 350.487 4.249 50 0 FIAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000004504161 570593285 /nfs/dbraw/zinc/59/32/85/570593285.db2.gz OLTHKBQUYQYOHV-SFHVURJKSA-N 1 0 361.869 4.196 50 0 FIAARO CSCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3ccco3)cc2)C1 ZINC000011814574 570595526 /nfs/dbraw/zinc/59/55/26/570595526.db2.gz UVMHFIXWSRQXQV-KRWDZBQOSA-N 1 0 358.507 4.350 50 0 FIAARO CCOc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000004725583 570603348 /nfs/dbraw/zinc/60/33/48/570603348.db2.gz RHVJFBPQOVJGII-SFHVURJKSA-N 1 0 366.505 4.175 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000004741191 570604048 /nfs/dbraw/zinc/60/40/48/570604048.db2.gz WWHJBACCYIUHCD-UHFFFAOYSA-N 1 0 359.473 4.234 50 0 FIAARO Cc1nc(N2CCCC2)ccc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C ZINC000252482810 570622157 /nfs/dbraw/zinc/62/21/57/570622157.db2.gz DOGHVHUUSFEYJE-AWEZNQCLSA-N 1 0 370.419 4.185 50 0 FIAARO O=c1c2ccccc2scc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000005202340 570632495 /nfs/dbraw/zinc/63/24/95/570632495.db2.gz ZOKGRJDIYQSZIT-RMKNXTFCSA-N 1 0 362.498 4.097 50 0 FIAARO O=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000006699231 570652427 /nfs/dbraw/zinc/65/24/27/570652427.db2.gz CDWSQJSLMAQPAP-UHFFFAOYSA-N 1 0 356.297 4.476 50 0 FIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c1 ZINC000002934096 570676854 /nfs/dbraw/zinc/67/68/54/570676854.db2.gz OWAZAURZBHZMBQ-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008337141 570680697 /nfs/dbraw/zinc/68/06/97/570680697.db2.gz JYQKFFMEDNOYKX-MRXNPFEDSA-N 1 0 354.277 4.433 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(C)nc2ccccc21 ZINC000008745141 570687207 /nfs/dbraw/zinc/68/72/07/570687207.db2.gz HMHZPHBUUCAOQR-OFNKIYASSA-N 1 0 371.484 4.300 50 0 FIAARO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062770 570691455 /nfs/dbraw/zinc/69/14/55/570691455.db2.gz RXYKLICLAYFAQM-UHFFFAOYSA-N 1 0 373.294 4.300 50 0 FIAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000011667777 570705254 /nfs/dbraw/zinc/70/52/54/570705254.db2.gz URIXNCQETQDPKP-LNLBBOMNSA-N 1 0 364.489 4.330 50 0 FIAARO C=Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011842520 570709339 /nfs/dbraw/zinc/70/93/39/570709339.db2.gz GLKXJLBSCYNWLN-JOCHJYFZSA-N 1 0 360.501 4.033 50 0 FIAARO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000011874535 570710781 /nfs/dbraw/zinc/71/07/81/570710781.db2.gz GBBPTFZZNFNSQV-GOSISDBHSA-N 1 0 365.502 4.337 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c2ccccc21 ZINC000011937502 570712543 /nfs/dbraw/zinc/71/25/43/570712543.db2.gz GGFLDVUSYRHABS-QHCPKHFHSA-N 1 0 366.480 4.135 50 0 FIAARO CCOc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)cc1 ZINC000012057053 570715426 /nfs/dbraw/zinc/71/54/26/570715426.db2.gz VKPQAOYTQUMRGM-QFIPXVFZSA-N 1 0 357.469 4.042 50 0 FIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000012090331 570718229 /nfs/dbraw/zinc/71/82/29/570718229.db2.gz OPHLCDIIEPYAGP-SZIFGRNDSA-N 1 0 365.517 4.416 50 0 FIAARO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)C2CCOCC2)o1 ZINC000012201643 570727188 /nfs/dbraw/zinc/72/71/88/570727188.db2.gz QBXYIGGMXAESSA-UHFFFAOYSA-N 1 0 369.440 4.191 50 0 FIAARO CCOc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1OC ZINC000012246378 570731386 /nfs/dbraw/zinc/73/13/86/570731386.db2.gz AIKRFEJUIMLUBV-SFHVURJKSA-N 1 0 371.525 4.395 50 0 FIAARO O=C(c1ccc(-c2ccco2)cc1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012298253 570733159 /nfs/dbraw/zinc/73/31/59/570733159.db2.gz LHWSQZOFFJCCPE-HSZRJFAPSA-N 1 0 364.489 4.285 50 0 FIAARO CSc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000012305226 570734899 /nfs/dbraw/zinc/73/48/99/570734899.db2.gz XTYRLSQMFOFZCX-GOSISDBHSA-N 1 0 350.491 4.156 50 0 FIAARO CCc1ccc(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)o1 ZINC000012314329 570735883 /nfs/dbraw/zinc/73/58/83/570735883.db2.gz MVZGXZCLVRLSGM-UHFFFAOYSA-N 1 0 372.484 4.290 50 0 FIAARO COCC[N@H+](C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000012430410 570744416 /nfs/dbraw/zinc/74/44/16/570744416.db2.gz AFYMEBDFAQSFFI-UHFFFAOYSA-N 1 0 373.497 4.435 50 0 FIAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c(C)n1 ZINC000012457037 570747125 /nfs/dbraw/zinc/74/71/25/570747125.db2.gz CEBWFLSZYMTKFO-MRXNPFEDSA-N 1 0 359.901 4.268 50 0 FIAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc2c1C ZINC000004359373 570757295 /nfs/dbraw/zinc/75/72/95/570757295.db2.gz YLXCTGLLTWMFOM-UHFFFAOYSA-N 1 0 359.520 4.183 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(ccc(C)c2C)s1 ZINC000004359494 570758431 /nfs/dbraw/zinc/75/84/31/570758431.db2.gz HOCPORRYAMNYSB-UHFFFAOYSA-N 1 0 371.506 4.495 50 0 FIAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)Cc3ccccc3)sc2c1 ZINC000004359554 570758443 /nfs/dbraw/zinc/75/84/43/570758443.db2.gz XQRUSRSGFCWQMZ-UHFFFAOYSA-N 1 0 367.518 4.132 50 0 FIAARO CCc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1 ZINC000032721285 570780299 /nfs/dbraw/zinc/78/02/99/570780299.db2.gz IPEAZZLYNKBUBT-FCSDKFEESA-N 1 0 354.538 4.184 50 0 FIAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000018177758 570813975 /nfs/dbraw/zinc/81/39/75/570813975.db2.gz QMEZLUJJVMFDBL-LJQANCHMSA-N 1 0 373.884 4.307 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000032819103 570817367 /nfs/dbraw/zinc/81/73/67/570817367.db2.gz GFXGJDHAQDEQHE-GOSISDBHSA-N 1 0 350.487 4.468 50 0 FIAARO CN(C(=O)c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014955071 570826897 /nfs/dbraw/zinc/82/68/97/570826897.db2.gz MAINXHISUNQSAL-FQEVSTJZSA-N 1 0 368.908 4.044 50 0 FIAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879753 570834031 /nfs/dbraw/zinc/83/40/31/570834031.db2.gz JJYFOCTWSNUDIS-KRWDZBQOSA-N 1 0 373.500 4.325 50 0 FIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000015617887 570841648 /nfs/dbraw/zinc/84/16/48/570841648.db2.gz GDHMZKYSUNNNJH-UHFFFAOYSA-N 1 0 373.500 4.081 50 0 FIAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000032911523 570851013 /nfs/dbraw/zinc/85/10/13/570851013.db2.gz CNUBFSCFQZFZDW-INIZCTEOSA-N 1 0 363.288 4.388 50 0 FIAARO CC[NH+](CC)CCN(C(=O)c1ccccc1F)c1nc2ccccc2s1 ZINC000004585319 570851937 /nfs/dbraw/zinc/85/19/37/570851937.db2.gz YWQHIYFINKYWCO-UHFFFAOYSA-N 1 0 371.481 4.424 50 0 FIAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019634446 570896241 /nfs/dbraw/zinc/89/62/41/570896241.db2.gz OTCIHNASQLBYKE-UHFFFAOYSA-N 1 0 350.437 4.310 50 0 FIAARO c1cncc([C@@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000109570105 570926139 /nfs/dbraw/zinc/92/61/39/570926139.db2.gz RFQPRAKGHXRYIB-PMACEKPBSA-N 1 0 360.461 4.389 50 0 FIAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000048333062 570946754 /nfs/dbraw/zinc/94/67/54/570946754.db2.gz ZKJKQCTYAPZZTA-UHFFFAOYSA-N 1 0 357.470 4.245 50 0 FIAARO O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@@H+]3CCCCC34CC4)cc2)[nH]1 ZINC000048356917 570950535 /nfs/dbraw/zinc/95/05/35/570950535.db2.gz RZQWDXKPUYBBLF-UHFFFAOYSA-N 1 0 372.472 4.017 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000022936160 570953708 /nfs/dbraw/zinc/95/37/08/570953708.db2.gz WRRDOFRUTLFLDI-HXUWFJFHSA-N 1 0 358.913 4.493 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000024757784 570981395 /nfs/dbraw/zinc/98/13/95/570981395.db2.gz JZTHDLIFBQZNPF-DYVFJYSZSA-N 1 0 358.869 4.261 50 0 FIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)COc2ccccc2F)cc1 ZINC000025302152 570993383 /nfs/dbraw/zinc/99/33/83/570993383.db2.gz IXBUGEWJPBWPTL-WIYYLYMNSA-N 1 0 373.468 4.191 50 0 FIAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc(-n4cncn4)cc3)ccc2c1 ZINC000025364804 570995027 /nfs/dbraw/zinc/99/50/27/570995027.db2.gz NWJYQSVCCNZCRJ-MRXNPFEDSA-N 1 0 358.445 4.280 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000025776855 571000694 /nfs/dbraw/zinc/00/06/94/571000694.db2.gz WQCIJGUZGFWVLU-IBGZPJMESA-N 1 0 350.487 4.448 50 0 FIAARO CC(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000025919889 571001492 /nfs/dbraw/zinc/00/14/92/571001492.db2.gz VSJPBORYEMQPGP-LJQANCHMSA-N 1 0 374.887 4.292 50 0 FIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(SC(F)F)cc1 ZINC000027336212 571011707 /nfs/dbraw/zinc/01/17/07/571011707.db2.gz LFPUAEVYLZANGJ-OAHLLOKOSA-N 1 0 366.433 4.161 50 0 FIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1COc1ccccc1 ZINC000028029215 571026073 /nfs/dbraw/zinc/02/60/73/571026073.db2.gz HZDULIPDDVGZLM-UHFFFAOYSA-N 1 0 374.484 4.257 50 0 FIAARO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)oc2cc(C)cc(C)c12 ZINC000028291350 571029931 /nfs/dbraw/zinc/02/99/31/571029931.db2.gz XJXDJRWOZUZBLP-GOSISDBHSA-N 1 0 350.462 4.391 50 0 FIAARO C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(C)(C)c1ccccc1 ZINC000175726581 571037086 /nfs/dbraw/zinc/03/70/86/571037086.db2.gz FZJSFISRLYEUQW-KRWDZBQOSA-N 1 0 357.542 4.059 50 0 FIAARO CC(=O)Nc1cc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000225567134 571045964 /nfs/dbraw/zinc/04/59/64/571045964.db2.gz FBZAGYVPGFYGIY-QAPCUYQASA-N 1 0 355.457 4.107 50 0 FIAARO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2csc(Br)c2)c1 ZINC000030629543 571048433 /nfs/dbraw/zinc/04/84/33/571048433.db2.gz QCHGKXHEDLCYHI-UHFFFAOYSA-N 1 0 367.312 4.395 50 0 FIAARO CCC[C@H](C)[N@@H+]1Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000225606129 571048846 /nfs/dbraw/zinc/04/88/46/571048846.db2.gz JRZIQHCKXOERRQ-INIZCTEOSA-N 1 0 358.507 4.300 50 0 FIAARO COC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000008728531 571058319 /nfs/dbraw/zinc/05/83/19/571058319.db2.gz CALGQOIQNXJWGS-HNNXBMFYSA-N 1 0 369.440 4.237 50 0 FIAARO Cc1cccc(OCc2nnc(SCc3cn4cccc(C)c4n3)o2)c1 ZINC000039547468 571064760 /nfs/dbraw/zinc/06/47/60/571064760.db2.gz MEOBRFHIZWEFCU-UHFFFAOYSA-N 1 0 366.446 4.205 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000043604336 571065952 /nfs/dbraw/zinc/06/59/52/571065952.db2.gz CODAXLRJLVYQPK-XETRGNPWSA-N 1 0 364.533 4.346 50 0 FIAARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455739 571071496 /nfs/dbraw/zinc/07/14/96/571071496.db2.gz AHXJGCRQMRGWMD-FKIZTMCRSA-N 1 0 350.506 4.044 50 0 FIAARO C[C@@H]([NH2+]C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005073766 571072958 /nfs/dbraw/zinc/07/29/58/571072958.db2.gz ZBVOHBSEOKWMAV-SDRQRJDGSA-N 1 0 357.538 4.321 50 0 FIAARO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](Nc4ccccc4)C3)n2)cc1F ZINC000084185371 571078060 /nfs/dbraw/zinc/07/80/60/571078060.db2.gz XBIMOBQCOAJXSD-YJBOKZPZSA-N 1 0 366.440 4.432 50 0 FIAARO Cc1ccc(NC(=O)C2CC[NH+]([C@@H](c3ccccc3)C(C)C)CC2)nc1 ZINC000084191594 571079011 /nfs/dbraw/zinc/07/90/11/571079011.db2.gz ZCUCCSSGXWUSQG-OAQYLSRUSA-N 1 0 351.494 4.438 50 0 FIAARO COc1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000084633102 571093685 /nfs/dbraw/zinc/09/36/85/571093685.db2.gz HXAJXOWNUMVAAR-KRWDZBQOSA-N 1 0 364.493 4.400 50 0 FIAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229576878 571094585 /nfs/dbraw/zinc/09/45/85/571094585.db2.gz NBJDJHUVNQKGSZ-VYDXJSESSA-N 1 0 357.498 4.222 50 0 FIAARO Cc1c(C)n(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2c1cccc2Cl ZINC000012421945 571097755 /nfs/dbraw/zinc/09/77/55/571097755.db2.gz KJHUKAGUFJNVSH-LJQANCHMSA-N 1 0 368.908 4.331 50 0 FIAARO O=C(NCCCc1ccccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044906286 571104368 /nfs/dbraw/zinc/10/43/68/571104368.db2.gz UHKYFSMHWBAOQP-UHFFFAOYSA-N 1 0 356.897 4.298 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044933495 571104796 /nfs/dbraw/zinc/10/47/96/571104796.db2.gz IZFPHZMVPFBRSD-KRWDZBQOSA-N 1 0 354.469 4.224 50 0 FIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000044934875 571105161 /nfs/dbraw/zinc/10/51/61/571105161.db2.gz DQNRKHDAHBDOGH-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc(C[NH+]2CCC(CN(C)Cc3c(F)ccc(F)c3F)CC2)o1 ZINC000055153410 571116965 /nfs/dbraw/zinc/11/69/65/571116965.db2.gz KUNZRYMNAOMSGC-UHFFFAOYSA-N 1 0 366.427 4.349 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1F)c1cccc2ccccc21 ZINC000010330432 571125288 /nfs/dbraw/zinc/12/52/88/571125288.db2.gz YAWFVQDSNBZUCE-IBGZPJMESA-N 1 0 354.400 4.151 50 0 FIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](O)c4cccc(F)c4)CC3)c2c1 ZINC000060039659 571136028 /nfs/dbraw/zinc/13/60/28/571136028.db2.gz SZMVBCMOVIBEKD-QFIPXVFZSA-N 1 0 368.452 4.229 50 0 FIAARO COc1cccc(N2CC[NH+]([C@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000075105707 571154997 /nfs/dbraw/zinc/15/49/97/571154997.db2.gz ZDACJTPQAFCZNN-MRXNPFEDSA-N 1 0 367.518 4.058 50 0 FIAARO COc1cc(OC)nc(Oc2cc(C)ccc2C[NH2+]C2CCCCC2)n1 ZINC000075279853 571159447 /nfs/dbraw/zinc/15/94/47/571159447.db2.gz DOMIGWUKGKWHHY-UHFFFAOYSA-N 1 0 357.454 4.017 50 0 FIAARO CN(CC(=O)c1ccc(NC(=O)c2ccccc2)cc1)Cc1cccs1 ZINC000035336513 571166680 /nfs/dbraw/zinc/16/66/80/571166680.db2.gz QGWYWZLQKBBETI-UHFFFAOYSA-N 1 0 364.470 4.315 50 0 FIAARO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000005939049 571168836 /nfs/dbraw/zinc/16/88/36/571168836.db2.gz ZKAXCJLBWMWYJU-KRWDZBQOSA-N 1 0 355.507 4.250 50 0 FIAARO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)C(C)C ZINC000034991983 571170747 /nfs/dbraw/zinc/17/07/47/571170747.db2.gz YUZOAVAKDVMCKS-SECBINFHSA-N 1 0 365.109 4.354 50 0 FIAARO Cc1ccc([C@H]2C[N@@H+](Cc3cc(C(C)C)no3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072133128 571171362 /nfs/dbraw/zinc/17/13/62/571171362.db2.gz SCFYSMPLBJCPBC-YMPZKCBVSA-N 1 0 365.521 4.169 50 0 FIAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000072140716 571171896 /nfs/dbraw/zinc/17/18/96/571171896.db2.gz ZHXYXHJMUHFFRM-UHFFFAOYSA-N 1 0 362.832 4.204 50 0 FIAARO Cc1nc(-c2cccc(NC(=O)c3ccccc3[C@H]3CC[NH2+]C3)c2)cs1 ZINC000072144322 571172308 /nfs/dbraw/zinc/17/23/08/571172308.db2.gz WQADSWJXARUTBI-INIZCTEOSA-N 1 0 363.486 4.448 50 0 FIAARO c1cn(C2CC[NH+](Cc3cccnc3)CC2)c(-c2ccnc3ccccc32)n1 ZINC000072147906 571173800 /nfs/dbraw/zinc/17/38/00/571173800.db2.gz DTUHNKNIBOUAHS-UHFFFAOYSA-N 1 0 369.472 4.330 50 0 FIAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C4CCCC4)s3)C2)cc(=O)[nH]1 ZINC000072150455 571174444 /nfs/dbraw/zinc/17/44/44/571174444.db2.gz FQHPUPWTRXQEKY-INIZCTEOSA-N 1 0 357.523 4.177 50 0 FIAARO O=C(c1coc2ccccc12)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072154794 571174974 /nfs/dbraw/zinc/17/49/74/571174974.db2.gz HFHXOORRZUBRSW-WWPVKYPJSA-N 1 0 372.468 4.135 50 0 FIAARO Fc1cccnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072154386 571175091 /nfs/dbraw/zinc/17/50/91/571175091.db2.gz JUZHLVLUUIHCGH-UHFFFAOYSA-N 1 0 361.464 4.128 50 0 FIAARO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000229376294 571177871 /nfs/dbraw/zinc/17/78/71/571177871.db2.gz TYCPLHFIRBFYMR-BEFAXECRSA-N 1 0 373.447 4.470 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCCCC1 ZINC000003345368 571180981 /nfs/dbraw/zinc/18/09/81/571180981.db2.gz LBEGUZRVZWTNAX-UHFFFAOYSA-N 1 0 365.477 4.142 50 0 FIAARO CCCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000035558801 571182203 /nfs/dbraw/zinc/18/22/03/571182203.db2.gz IDKBQZRSHYPAAZ-IBGZPJMESA-N 1 0 372.534 4.494 50 0 FIAARO CC(C)(O)CCc1ccc(CN2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427356 571194744 /nfs/dbraw/zinc/19/47/44/571194744.db2.gz BSYRVMAQRGDSQF-JOCHJYFZSA-N 1 0 358.570 4.088 50 0 FIAARO CCc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000245265321 571196915 /nfs/dbraw/zinc/19/69/15/571196915.db2.gz FXJNAOPQWIPEMZ-ABSDTBQOSA-N 1 0 357.518 4.032 50 0 FIAARO O=C(c1cccc(-c2ccnc3ccccc32)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000534590906 571205693 /nfs/dbraw/zinc/20/56/93/571205693.db2.gz RDPKUHVPEMAXAE-XMMPIXPASA-N 1 0 371.484 4.118 50 0 FIAARO Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)on2)cc1 ZINC000077301511 571207107 /nfs/dbraw/zinc/20/71/07/571207107.db2.gz WIEFEYZHGZHQIB-IBGZPJMESA-N 1 0 350.466 4.291 50 0 FIAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cnc(C3CCCCC3)nc2)c1 ZINC000077322709 571207534 /nfs/dbraw/zinc/20/75/34/571207534.db2.gz JBACTYXAXAHOOR-HXUWFJFHSA-N 1 0 353.514 4.166 50 0 FIAARO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)cc1)CC2 ZINC000077342276 571208100 /nfs/dbraw/zinc/20/81/00/571208100.db2.gz BABDCJUQTJEMMM-UHFFFAOYSA-N 1 0 354.881 4.109 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)o1 ZINC000077344180 571208337 /nfs/dbraw/zinc/20/83/37/571208337.db2.gz XCLNRSGLUXQKCX-UHFFFAOYSA-N 1 0 372.896 4.256 50 0 FIAARO CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)on1 ZINC000077564908 571215485 /nfs/dbraw/zinc/21/54/85/571215485.db2.gz ZNCDGAYCYZENMB-FQEVSTJZSA-N 1 0 369.509 4.302 50 0 FIAARO CC[C@H](c1cccnc1)N(C)C(=O)c1ccc(-c2c(C)cc(N)[nH+]c2C)cc1 ZINC000426526469 571230210 /nfs/dbraw/zinc/23/02/10/571230210.db2.gz SBLCDBYNJRWXOA-HXUWFJFHSA-N 1 0 374.488 4.396 50 0 FIAARO CC(C)c1nc(CN(C)C(=O)c2ccc(-c3c[nH+]ccc3N)cc2)cs1 ZINC000426563126 571231856 /nfs/dbraw/zinc/23/18/56/571231856.db2.gz SLKGUWKQVBOTMV-UHFFFAOYSA-N 1 0 366.490 4.013 50 0 FIAARO CCc1oc(C(=O)N2CCCC[C@@H]2c2cccnc2)cc1C[NH+]1CCCC1 ZINC000426599785 571233041 /nfs/dbraw/zinc/23/30/41/571233041.db2.gz SXCNNVQHFTZLKB-LJQANCHMSA-N 1 0 367.493 4.200 50 0 FIAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000426661360 571234461 /nfs/dbraw/zinc/23/44/61/571234461.db2.gz QTHUJFDSAAKMFS-UHFFFAOYSA-N 1 0 361.489 4.219 50 0 FIAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036096207 571240674 /nfs/dbraw/zinc/24/06/74/571240674.db2.gz FXJSLHZJUMREAC-QFIPXVFZSA-N 1 0 371.521 4.121 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)s1 ZINC000036101126 571241554 /nfs/dbraw/zinc/24/15/54/571241554.db2.gz PHFQLTCHHWHPQD-FQEVSTJZSA-N 1 0 367.514 4.499 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)s1 ZINC000036101566 571241652 /nfs/dbraw/zinc/24/16/52/571241652.db2.gz WORYNMLVXWAMEL-SFHVURJKSA-N 1 0 365.514 4.374 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036101835 571241961 /nfs/dbraw/zinc/24/19/61/571241961.db2.gz BMEANQPHAINZRF-ICSRJNTNSA-N 1 0 357.494 4.044 50 0 FIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)c1 ZINC000036103970 571242142 /nfs/dbraw/zinc/24/21/42/571242142.db2.gz UQXPXTYASSLXRY-HSZRJFAPSA-N 1 0 373.512 4.478 50 0 FIAARO CC(C)[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036103088 571242251 /nfs/dbraw/zinc/24/22/51/571242251.db2.gz TYQXULIVNTYACD-QGZVFWFLSA-N 1 0 351.849 4.129 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169677829 571246819 /nfs/dbraw/zinc/24/68/19/571246819.db2.gz ABFAEDCRHXYKED-UYAOXDASSA-N 1 0 357.494 4.044 50 0 FIAARO Cc1ccc(C)c([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC000036344597 571248490 /nfs/dbraw/zinc/24/84/90/571248490.db2.gz IQMMVNNYDJDBRA-JOCHJYFZSA-N 1 0 363.505 4.321 50 0 FIAARO c1ccc2sc(C3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nc2c1 ZINC000007018449 571257326 /nfs/dbraw/zinc/25/73/26/571257326.db2.gz NLLOQEXFVPPLJO-UHFFFAOYSA-N 1 0 352.459 4.405 50 0 FIAARO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036614222 571258035 /nfs/dbraw/zinc/25/80/35/571258035.db2.gz CMGKCKLWOVJGJH-UHFFFAOYSA-N 1 0 358.795 4.179 50 0 FIAARO CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(OC)cc2)c1=S ZINC000007076737 571260543 /nfs/dbraw/zinc/26/05/43/571260543.db2.gz OXUMWCDDOXFASK-UHFFFAOYSA-N 1 0 374.535 4.261 50 0 FIAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000007359569 571264698 /nfs/dbraw/zinc/26/46/98/571264698.db2.gz DCUSQYYGQZTRPW-JOCHJYFZSA-N 1 0 363.505 4.235 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000238062960 571277369 /nfs/dbraw/zinc/27/73/69/571277369.db2.gz JYPCGQILLUTIRJ-QFIPXVFZSA-N 1 0 351.421 4.228 50 0 FIAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccc(CC)cc3)c2)CC1 ZINC000037553725 571287832 /nfs/dbraw/zinc/28/78/32/571287832.db2.gz MPGQEKCOTMFRRV-UHFFFAOYSA-N 1 0 352.478 4.086 50 0 FIAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037570663 571288153 /nfs/dbraw/zinc/28/81/53/571288153.db2.gz CLVXGQFZCJDXBO-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000253392207 571311860 /nfs/dbraw/zinc/31/18/60/571311860.db2.gz HFSFNHORMIHPAT-DLBZAZTESA-N 1 0 356.897 4.495 50 0 FIAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000002333530 571318091 /nfs/dbraw/zinc/31/80/91/571318091.db2.gz JBZVKWDGDMYYQB-UHFFFAOYSA-N 1 0 368.868 4.075 50 0 FIAARO C[NH+](C)CCn1c2ccccc2n(Cc2ccc(-c3ccccc3)cc2)c1=N ZINC000253470651 571318536 /nfs/dbraw/zinc/31/85/36/571318536.db2.gz VELYQHQBRJRHQT-UHFFFAOYSA-N 1 0 370.500 4.199 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1cnc(-c2ccccc2)s1)c1ccsc1 ZINC000095454277 571329968 /nfs/dbraw/zinc/32/99/68/571329968.db2.gz GUPKYCJEUCKJDY-OAHLLOKOSA-N 1 0 372.519 4.296 50 0 FIAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 ZINC000095466886 571330514 /nfs/dbraw/zinc/33/05/14/571330514.db2.gz WJYFAQYBMUXADQ-NILFDRSVSA-N 1 0 366.552 4.181 50 0 FIAARO FC(F)(F)COc1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cn1 ZINC000095967300 571333228 /nfs/dbraw/zinc/33/32/28/571333228.db2.gz SLMQHIHLZCNEHV-INIZCTEOSA-N 1 0 368.424 4.143 50 0 FIAARO COc1ccc([C@H](C)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1Cn1cccn1 ZINC000095992561 571333572 /nfs/dbraw/zinc/33/35/72/571333572.db2.gz PINZKYJLRBFIAN-INIZCTEOSA-N 1 0 362.477 4.059 50 0 FIAARO CCOc1ccccc1OCC[NH2+]CCCCCC(=O)c1ccccc1 ZINC000096027272 571334067 /nfs/dbraw/zinc/33/40/67/571334067.db2.gz GAJGCSCKCGRPJZ-UHFFFAOYSA-N 1 0 355.478 4.497 50 0 FIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1Cl ZINC000029838870 571343426 /nfs/dbraw/zinc/34/34/26/571343426.db2.gz OWTBHMYKILLHCG-UHFFFAOYSA-N 1 0 363.288 4.172 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccco1 ZINC000003047165 571344084 /nfs/dbraw/zinc/34/40/84/571344084.db2.gz REHJFZLWNJKHCF-INIZCTEOSA-N 1 0 359.539 4.472 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000003304167 571347011 /nfs/dbraw/zinc/34/70/11/571347011.db2.gz HTBQDTGPWILDGT-JOCHJYFZSA-N 1 0 361.489 4.079 50 0 FIAARO S=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1cccc(Cl)c1 ZINC000003326913 571347471 /nfs/dbraw/zinc/34/74/71/571347471.db2.gz BXVYLZHOTSWAID-MRXNPFEDSA-N 1 0 363.914 4.447 50 0 FIAARO O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl ZINC000003401900 571349092 /nfs/dbraw/zinc/34/90/92/571349092.db2.gz GQJNFXXFTZTBLZ-RDTXWAMCSA-N 1 0 366.288 4.400 50 0 FIAARO Cc1sc2nc(-c3cccs3)nc(N3CCC[N@@H+](C)CC3)c2c1C ZINC000003405755 571349163 /nfs/dbraw/zinc/34/91/63/571349163.db2.gz OWDVNHZQAMPPHE-UHFFFAOYSA-N 1 0 358.536 4.179 50 0 aggregator FIAARO Cc1sc2nc(-c3cccnc3)nc(NCC(C)(C)C[NH+](C)C)c2c1C ZINC000003459630 571350096 /nfs/dbraw/zinc/35/00/96/571350096.db2.gz MVCQVXTUENYWDG-UHFFFAOYSA-N 1 0 369.538 4.370 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004028110 571354172 /nfs/dbraw/zinc/35/41/72/571354172.db2.gz CODAXLRJLVYQPK-MOHSUVDQSA-N 1 0 364.533 4.346 50 0 biogenic FIAARO O=C(N1CCC(n2ccnc2)CC1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000287304183 1080165085 /nfs/dbraw/zinc/16/50/85/1080165085.db2.gz JNNVFGBFPQJRDK-UHFFFAOYSA-N 1 0 369.484 4.379 50 0 FIAARO CCN(C(=O)Nc1cccnc1Cl)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314423 1081825569 /nfs/dbraw/zinc/82/55/69/1081825569.db2.gz JCKOLSXYZGGJIX-DOTOQJQBSA-N 1 0 372.900 4.424 50 0 FIAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193994908 1082936191 /nfs/dbraw/zinc/93/61/91/1082936191.db2.gz XXVYSILQJRHPLZ-IBGZPJMESA-N 1 0 360.461 4.042 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000581808308 1084623630 /nfs/dbraw/zinc/62/36/30/1084623630.db2.gz MFYQNQZBLUBJAN-UHFFFAOYSA-N 1 0 372.538 4.085 50 0 FIAARO C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCCCC1 ZINC000012223520 1085222996 /nfs/dbraw/zinc/22/29/96/1085222996.db2.gz RVPGJUIZJZAJNS-KRWDZBQOSA-N 1 0 353.466 4.475 50 0 FIAARO COc1cc(C[NH2+][C@@H](C)CC(C)(C)c2ccc(C)o2)cc(OC)c1OC ZINC000005031673 1086488829 /nfs/dbraw/zinc/48/88/29/1086488829.db2.gz CGZOEOOHLXWGDL-AWEZNQCLSA-N 1 0 361.482 4.460 50 0 FIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000014957022 1086556301 /nfs/dbraw/zinc/55/63/01/1086556301.db2.gz YBHYWBKVORJYOW-JOCHJYFZSA-N 1 0 371.908 4.360 50 0 FIAARO C[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657888370 1087547539 /nfs/dbraw/zinc/54/75/39/1087547539.db2.gz LSBSREXXWUKKIF-OAHLLOKOSA-N 1 0 373.447 4.222 50 0 FIAARO CC[N@@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H](O)c1ccc(C)cc1 ZINC000180419771 1087909136 /nfs/dbraw/zinc/90/91/36/1087909136.db2.gz LTASPGRNRMWLLN-GOSISDBHSA-N 1 0 355.507 4.137 50 0 FIAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)cs2)C1 ZINC000020515424 1089672532 /nfs/dbraw/zinc/67/25/32/1089672532.db2.gz JFBGVKJFSPHRFO-KRWDZBQOSA-N 1 0 352.507 4.475 50 0 FIAARO Cc1nc([C@@H]2CC23CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC3)no1 ZINC000257180629 1090277325 /nfs/dbraw/zinc/27/73/25/1090277325.db2.gz DRMFFBPBYFYYGF-HNNXBMFYSA-N 1 0 351.372 4.167 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CC2(C[C@H]1COc1ccncc1)CCCCC2 ZINC000257188809 1090315440 /nfs/dbraw/zinc/31/54/40/1090315440.db2.gz GJPVSCBIRIZJFJ-SFHVURJKSA-N 1 0 355.482 4.290 50 0 FIAARO Cc1ccc(CCC[NH+]2CCC3(CC[C@@H](COc4ccncc4)O3)CC2)o1 ZINC000257191949 1090321108 /nfs/dbraw/zinc/32/11/08/1090321108.db2.gz RWTXWLUCZUMVRH-NRFANRHFSA-N 1 0 370.493 4.008 50 0 FIAARO Cc1ccc(-c2csc(NC(=O)C3CC[NH+](C4CC4)CC3)n2)cc1C ZINC000195267497 1090902653 /nfs/dbraw/zinc/90/26/53/1090902653.db2.gz KRJUNULRKCRQAR-UHFFFAOYSA-N 1 0 355.507 4.240 50 0 FIAARO Cc1cnc([C@H]2CCCO2)n1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000257176200 1115656394 /nfs/dbraw/zinc/65/63/94/1115656394.db2.gz SBWLUHUACPRUNB-OAQYLSRUSA-N 1 0 353.510 4.313 50 0 FIAARO CC1CCN(C(=O)c2ccccc2OC[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000169765016 1115681606 /nfs/dbraw/zinc/68/16/06/1115681606.db2.gz BBVXJCCIFVMGCZ-LJQANCHMSA-N 1 0 370.537 4.202 50 0 FIAARO COCC1(F)CC[NH+](Cc2c(-c3ccccc3)nc3ccc(C)cn32)CC1 ZINC000257185522 1115686423 /nfs/dbraw/zinc/68/64/23/1115686423.db2.gz JOFYMBSRVJAJKC-UHFFFAOYSA-N 1 0 367.468 4.260 50 0 FIAARO Fc1cnccc1C[N@@H+]1CC2(C[C@@H]1COc1ccncc1)CCCCC2 ZINC000257187661 1115687821 /nfs/dbraw/zinc/68/78/21/1115687821.db2.gz CAGAWNMRAZEAPH-GOSISDBHSA-N 1 0 355.457 4.220 50 0 FIAARO COc1ccc2c(c1)C=C(CNc1cccc(C[NH+]3CCCC3)c1)CO2 ZINC000032581779 1118412022 /nfs/dbraw/zinc/41/20/22/1118412022.db2.gz AXOYNPPEFWLUOL-UHFFFAOYSA-N 1 0 350.462 4.179 50 0 FIAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCCCC4)C3)C2)c1 ZINC000011879453 1125411329 /nfs/dbraw/zinc/41/13/29/1125411329.db2.gz GKPBGGQIFTWSAD-HSZRJFAPSA-N 1 0 354.538 4.390 50 0 FIAARO COc1cccc(-c2ccc(C(=O)NCCC34CCC[NH+]3CCC4)cc2)c1 ZINC000219650473 222704764 /nfs/dbraw/zinc/70/47/64/222704764.db2.gz DBJLJZZUBIGDRJ-UHFFFAOYSA-N 1 0 364.489 4.111 50 0 FIAARO CSc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000000819299 219325928 /nfs/dbraw/zinc/32/59/28/219325928.db2.gz LSIAZPMRWKMDDI-UHFFFAOYSA-N 1 0 368.546 4.245 50 0 FIAARO Cc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000000854868 219331673 /nfs/dbraw/zinc/33/16/73/219331673.db2.gz IJRDAICNMHMPHP-UHFFFAOYSA-N 1 0 362.477 4.083 50 0 FIAARO C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000001085986 219367460 /nfs/dbraw/zinc/36/74/60/219367460.db2.gz ZGRHIYVAODNRCA-MRXNPFEDSA-N 1 0 373.909 4.367 50 0 FIAARO Ic1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002885532 219472965 /nfs/dbraw/zinc/47/29/65/219472965.db2.gz AGRKUMUVPVBWGQ-UHFFFAOYSA-N 1 0 373.278 4.326 50 0 FIAARO COc1cccc(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000003328119 219499643 /nfs/dbraw/zinc/49/96/43/219499643.db2.gz CMAZZLGJPJERIR-UHFFFAOYSA-N 1 0 361.555 4.170 50 0 FIAARO Cc1cc2occ(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2cc1Cl ZINC000004867768 219617989 /nfs/dbraw/zinc/61/79/89/219617989.db2.gz CTEUTVVAKMVCIN-UHFFFAOYSA-N 1 0 362.901 4.363 50 0 FIAARO CC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008227136 219853157 /nfs/dbraw/zinc/85/31/57/219853157.db2.gz OWIIRTQUAAYMEG-UHFFFAOYSA-N 1 0 368.246 4.285 50 0 FIAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000008329000 219859983 /nfs/dbraw/zinc/85/99/83/219859983.db2.gz LVPYIAZWVJZZBR-KDOFPFPSSA-N 1 0 356.491 4.239 50 0 FIAARO Cc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1N1CCCC1 ZINC000299760498 223083198 /nfs/dbraw/zinc/08/31/98/223083198.db2.gz UMLFBLYCFBXJBC-UHFFFAOYSA-N 1 0 370.541 4.077 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cccc(-c2ccccc2)c1 ZINC000299772859 223089522 /nfs/dbraw/zinc/08/95/22/223089522.db2.gz AOFGZCIIBUTKTG-UHFFFAOYSA-N 1 0 371.484 4.143 50 0 FIAARO Clc1cccc(-c2cc3c(c(OC[C@@H]4CCCCO4)c2)OCC[NH2+]C3)c1 ZINC000299797936 223102125 /nfs/dbraw/zinc/10/21/25/223102125.db2.gz TZTBINVUALRRMK-IBGZPJMESA-N 1 0 373.880 4.437 50 0 FIAARO C[C@H](c1ccc(C(=O)NCc2nc3c(s2)CCCC3)o1)[NH+]1CCCCC1 ZINC000299798207 223103022 /nfs/dbraw/zinc/10/30/22/223103022.db2.gz REVUKZFWNVLYHL-CQSZACIVSA-N 1 0 373.522 4.092 50 0 FIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CCc1ccccc1Cl ZINC000011813129 219933215 /nfs/dbraw/zinc/93/32/15/219933215.db2.gz XIGQIQSSJXZOOK-IBGZPJMESA-N 1 0 374.887 4.193 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C1CCCC1 ZINC000011813723 219933251 /nfs/dbraw/zinc/93/32/51/219933251.db2.gz ZIUAAYMIQZRYHV-UHFFFAOYSA-N 1 0 356.554 4.288 50 0 FIAARO COc1cc(C)c(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1C ZINC000011821476 219933683 /nfs/dbraw/zinc/93/36/83/219933683.db2.gz CCPAKPMBEXKGJV-LJQANCHMSA-N 1 0 362.477 4.060 50 0 FIAARO Cn1cc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(-c2cccc(Cl)c2)n1 ZINC000012591237 220010495 /nfs/dbraw/zinc/01/04/95/220010495.db2.gz HTZJZNRAVQERNQ-IBGZPJMESA-N 1 0 367.880 4.176 50 0 FIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3C[NH2+]Cc1ccc(F)cc1 ZINC000012659869 220016363 /nfs/dbraw/zinc/01/63/63/220016363.db2.gz RQMDDMBXJIFXNQ-BAYUQKDNSA-N 1 0 357.469 4.374 50 0 biogenic FIAARO CSC[C@H](C)[NH+]1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012712887 220021296 /nfs/dbraw/zinc/02/12/96/220021296.db2.gz ZIUGTHMVNCYAPP-AWEZNQCLSA-N 1 0 361.473 4.074 50 0 FIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1Cl ZINC000012677293 220017088 /nfs/dbraw/zinc/01/70/88/220017088.db2.gz NYDXVNLXYTXEJP-YJYMSZOUSA-N 1 0 358.869 4.417 50 0 FIAARO O=C(C[NH+]1CCCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012681282 220018354 /nfs/dbraw/zinc/01/83/54/220018354.db2.gz PVZNHLFRCMXBBM-UHFFFAOYSA-N 1 0 369.431 4.120 50 0 FIAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCC(C)C)C3)C2)c1OC ZINC000012711547 220020152 /nfs/dbraw/zinc/02/01/52/220020152.db2.gz VHHPWQPITRZTBU-QFIPXVFZSA-N 1 0 360.542 4.038 50 0 FIAARO Cc1nc(-c2cccs2)sc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000012768167 220027267 /nfs/dbraw/zinc/02/72/67/220027267.db2.gz QCSBSXXWIBALQA-UHFFFAOYSA-N 1 0 351.541 4.029 50 0 FIAARO CC(C)(C)C(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012745144 220023903 /nfs/dbraw/zinc/02/39/03/220023903.db2.gz FUWDEISISUSTNM-INIZCTEOSA-N 1 0 364.480 4.071 50 0 FIAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c1 ZINC000012796864 220031735 /nfs/dbraw/zinc/03/17/35/220031735.db2.gz QVVZGWKXPVEFPK-HNNXBMFYSA-N 1 0 361.445 4.088 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 ZINC000012807848 220032405 /nfs/dbraw/zinc/03/24/05/220032405.db2.gz GLEMOMJDHXZUQL-HNNXBMFYSA-N 1 0 355.240 4.165 50 0 FIAARO Cc1cccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)c(C)cc23)c1 ZINC000013000888 220051790 /nfs/dbraw/zinc/05/17/90/220051790.db2.gz JVDJWBHYYMJZGP-UHFFFAOYSA-N 1 0 351.446 4.229 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 ZINC000013014057 220054328 /nfs/dbraw/zinc/05/43/28/220054328.db2.gz CAPBXTVLDUJZJB-GOSISDBHSA-N 1 0 355.507 4.076 50 0 FIAARO CCc1cc2c(C[N@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc2cc1O ZINC000013059016 220056251 /nfs/dbraw/zinc/05/62/51/220056251.db2.gz SQHOLKSYVBEFTE-UHFFFAOYSA-N 1 0 357.837 4.346 50 0 FIAARO O=C([C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccccc1)N1CCCCC1 ZINC000014139086 220109389 /nfs/dbraw/zinc/10/93/89/220109389.db2.gz WBUKZVONPXPPGN-JOCHJYFZSA-N 1 0 361.489 4.054 50 0 FIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000014190263 220115011 /nfs/dbraw/zinc/11/50/11/220115011.db2.gz YUWZMTVODYIJMW-KRWDZBQOSA-N 1 0 356.853 4.427 50 0 FIAARO Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)s1 ZINC000014980075 220139282 /nfs/dbraw/zinc/13/92/82/220139282.db2.gz YUYWJHGEJFJPPC-IBGZPJMESA-N 1 0 356.535 4.226 50 0 FIAARO O=C(Nc1cccc(-c2ccco2)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000015072272 220146341 /nfs/dbraw/zinc/14/63/41/220146341.db2.gz MXXHCSOVBCZDQA-UHFFFAOYSA-N 1 0 361.445 4.192 50 0 FIAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000015079776 220147437 /nfs/dbraw/zinc/14/74/37/220147437.db2.gz QCCSOXGXIBTZIO-KRWDZBQOSA-N 1 0 355.457 4.160 50 0 FIAARO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)n1 ZINC000015062810 220144831 /nfs/dbraw/zinc/14/48/31/220144831.db2.gz TVRZZQXGHYMUBK-JOCHJYFZSA-N 1 0 371.475 4.156 50 0 FIAARO CCCC[N@H+](CC)CCNC(=O)c1ccc(N2CCc3ccccc32)s1 ZINC000015732274 220163355 /nfs/dbraw/zinc/16/33/55/220163355.db2.gz CPFICEFOUWYGTN-UHFFFAOYSA-N 1 0 371.550 4.294 50 0 FIAARO Cc1cccc(-n2ncc(C(=O)Nc3ccccc3C)c2C2CC[NH2+]CC2)c1 ZINC000015772761 220164179 /nfs/dbraw/zinc/16/41/79/220164179.db2.gz XUTVYXKVXZRHBF-UHFFFAOYSA-N 1 0 374.488 4.208 50 0 FIAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000015831705 220166640 /nfs/dbraw/zinc/16/66/40/220166640.db2.gz MNJBHKZMNLNGEB-QGZVFWFLSA-N 1 0 357.885 4.026 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000015837035 220167502 /nfs/dbraw/zinc/16/75/02/220167502.db2.gz PWYCTGMKCSLZLW-GOSISDBHSA-N 1 0 357.450 4.058 50 0 FIAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860323 220169036 /nfs/dbraw/zinc/16/90/36/220169036.db2.gz OYCFWBBRTOSQHH-IBGZPJMESA-N 1 0 374.912 4.373 50 0 FIAARO O[C@H](C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 ZINC000016477492 220185103 /nfs/dbraw/zinc/18/51/03/220185103.db2.gz UOBRZBZNIBUXSZ-JOCHJYFZSA-N 1 0 351.421 4.228 50 0 FIAARO CC[NH+]1CCC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000016580181 220187942 /nfs/dbraw/zinc/18/79/42/220187942.db2.gz AAEBASWHFVQFDG-HXUWFJFHSA-N 1 0 354.519 4.121 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)Nc1ccccc1 ZINC000016622915 220188798 /nfs/dbraw/zinc/18/87/98/220188798.db2.gz CIWCZJQAJMNROO-UHFFFAOYSA-N 1 0 357.885 4.374 50 0 FIAARO C[C@H]([NH2+]CC(=O)NCCc1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000016695371 220191001 /nfs/dbraw/zinc/19/10/01/220191001.db2.gz ASVBGBYCSOXMBK-KRWDZBQOSA-N 1 0 364.514 4.425 50 0 FIAARO Fc1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017311058 220214283 /nfs/dbraw/zinc/21/42/83/220214283.db2.gz YMTUIRRUSAPRPH-UHFFFAOYSA-N 1 0 372.447 4.422 50 0 FIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc(F)cc1F ZINC000018177769 220226621 /nfs/dbraw/zinc/22/66/21/220226621.db2.gz WVCWODXEBCTKFU-UHFFFAOYSA-N 1 0 351.441 4.275 50 0 FIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccc3Br)CC2)C1 ZINC000019362864 220253505 /nfs/dbraw/zinc/25/35/05/220253505.db2.gz YKBXEVRDBOQIHE-NVXWUHKLSA-N 1 0 351.332 4.145 50 0 FIAARO CC1(C)Cc2c3c(ncn4nc(-c5ccccc5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019461721 220260805 /nfs/dbraw/zinc/26/08/05/220260805.db2.gz PBSMXBGTYBTJBO-UHFFFAOYSA-N 1 0 363.490 4.165 50 0 FIAARO CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(Br)s1 ZINC000019542434 220267718 /nfs/dbraw/zinc/26/77/18/220267718.db2.gz LFTGXXDZJKEYSL-GXTWGEPZSA-N 1 0 373.360 4.027 50 0 FIAARO COc1ccc(CC[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000019606668 220280434 /nfs/dbraw/zinc/28/04/34/220280434.db2.gz BLUHXFIGVYOYCA-UHFFFAOYSA-N 1 0 353.384 4.397 50 0 FIAARO COc1ccc(CC[C@H](C)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019636371 220280607 /nfs/dbraw/zinc/28/06/07/220280607.db2.gz JRWLBPIYMWNGQH-JLXBBBJOSA-N 1 0 364.533 4.347 50 0 FIAARO Cc1cc(C)c2c(NC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)nsc2n1 ZINC000019800364 220299122 /nfs/dbraw/zinc/29/91/22/220299122.db2.gz DRMVBAAHTKEKGQ-NSHDSACASA-N 1 0 358.492 4.046 50 0 FIAARO FC(F)(F)c1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019889617 220303079 /nfs/dbraw/zinc/30/30/79/220303079.db2.gz DVZKYFFHULYTCN-UHFFFAOYSA-N 1 0 362.439 4.456 50 0 FIAARO CC1CC[NH+](Cc2nc3cc(NC(=O)c4ccccc4)ccc3n2C)CC1 ZINC000020893149 220344777 /nfs/dbraw/zinc/34/47/77/220344777.db2.gz NUSDECXUOSSWMY-UHFFFAOYSA-N 1 0 362.477 4.058 50 0 FIAARO CCCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000021148661 220352985 /nfs/dbraw/zinc/35/29/85/220352985.db2.gz JTVZKXSXDRTEKB-FQEVSTJZSA-N 1 0 358.526 4.346 50 0 FIAARO Cc1ccccc1C[NH+]1CCC(CNc2nc(-c3ccccc3)no2)CC1 ZINC000021629795 220361488 /nfs/dbraw/zinc/36/14/88/220361488.db2.gz CPOMRTNDAOZSOS-UHFFFAOYSA-N 1 0 362.477 4.369 50 0 FIAARO COc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000022767053 220397686 /nfs/dbraw/zinc/39/76/86/220397686.db2.gz JTSMELITQJHGIO-GOSISDBHSA-N 1 0 373.522 4.496 50 0 FIAARO CC1(C)CC(N2CCCCC2)=CC(=[N+]2CCN(Cc3ccccc3)CC2)C1 ZINC000023230324 220420219 /nfs/dbraw/zinc/42/02/19/220420219.db2.gz YUQBQMYRWOFRLV-UHFFFAOYSA-N 1 0 366.573 4.146 50 0 FIAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027584395 220539353 /nfs/dbraw/zinc/53/93/53/220539353.db2.gz OURQMZCUXZZDFC-NRFANRHFSA-N 1 0 366.505 4.351 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)s1 ZINC000036101128 220804291 /nfs/dbraw/zinc/80/42/91/220804291.db2.gz PHFQLTCHHWHPQD-HXUWFJFHSA-N 1 0 367.514 4.499 50 0 FIAARO c1sc(-c2ncccn2)nc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000048234371 221001679 /nfs/dbraw/zinc/00/16/79/221001679.db2.gz CJIFTVGMCIBUHI-GOSISDBHSA-N 1 0 350.491 4.197 50 0 FIAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 ZINC000055102523 221058231 /nfs/dbraw/zinc/05/82/31/221058231.db2.gz FUJKWEFCYFAJOL-OAQYLSRUSA-N 1 0 367.424 4.172 50 0 FIAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccn1-c1cccnc1 ZINC000055227268 221062827 /nfs/dbraw/zinc/06/28/27/221062827.db2.gz XBVCNFBXEUVLJS-UHFFFAOYSA-N 1 0 361.424 4.034 50 0 FIAARO CC(C)C[N@H+](Cc1ccsc1)Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055284626 221066097 /nfs/dbraw/zinc/06/60/97/221066097.db2.gz LHSRLETVVYOVBC-UHFFFAOYSA-N 1 0 369.534 4.236 50 0 FIAARO CCCCOc1c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cccc1OC ZINC000055327710 221066172 /nfs/dbraw/zinc/06/61/72/221066172.db2.gz CNHSSGDYUMPVEX-MRXNPFEDSA-N 1 0 355.478 4.487 50 0 FIAARO COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)[NH+](C)C)c1 ZINC000057288417 221086336 /nfs/dbraw/zinc/08/63/36/221086336.db2.gz FXIDENPXKJZLRW-QGZVFWFLSA-N 1 0 367.276 4.035 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000058245035 221109989 /nfs/dbraw/zinc/10/99/89/221109989.db2.gz ULJHJYNNDQQYPO-MSOLQXFVSA-N 1 0 363.502 4.045 50 0 FIAARO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1OC ZINC000057435061 221088212 /nfs/dbraw/zinc/08/82/12/221088212.db2.gz UMFQRWCHRVUNOB-OAHLLOKOSA-N 1 0 364.445 4.146 50 0 FIAARO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000057475472 221089849 /nfs/dbraw/zinc/08/98/49/221089849.db2.gz IUMQNVOSSVIGOD-QHCPKHFHSA-N 1 0 373.500 4.367 50 0 FIAARO COc1ccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)cc1 ZINC000058096538 221098694 /nfs/dbraw/zinc/09/86/94/221098694.db2.gz NRPDUVMCEIKZIM-UHFFFAOYSA-N 1 0 369.534 4.174 50 0 FIAARO Cc1ccc2c(C[N@H+]3CCC[C@@H]3CN(C)c3ccccc3)cc(=O)oc2c1 ZINC000058156865 221099032 /nfs/dbraw/zinc/09/90/32/221099032.db2.gz QSICZGJWEAZIIK-HXUWFJFHSA-N 1 0 362.473 4.202 50 0 FIAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 ZINC000058140328 221099555 /nfs/dbraw/zinc/09/95/55/221099555.db2.gz YOHOPAYBOFSSOZ-GHTZIAJQSA-N 1 0 368.546 4.367 50 0 FIAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 ZINC000058140318 221099720 /nfs/dbraw/zinc/09/97/20/221099720.db2.gz YOHOPAYBOFSSOZ-WIYYLYMNSA-N 1 0 368.546 4.367 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000058971878 221123599 /nfs/dbraw/zinc/12/35/99/221123599.db2.gz WPGLFWXZMWUNLA-IAGOWNOFSA-N 1 0 362.945 4.246 50 0 FIAARO Cc1noc(C)c1C[N@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000059363487 221125671 /nfs/dbraw/zinc/12/56/71/221125671.db2.gz PYMWBZBDAUFPPC-KRWDZBQOSA-N 1 0 365.518 4.149 50 0 FIAARO O[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 ZINC000058440354 221119240 /nfs/dbraw/zinc/11/92/40/221119240.db2.gz WCQMDAJOESWOOE-QGZVFWFLSA-N 1 0 350.245 4.092 50 0 FIAARO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058788083 221122751 /nfs/dbraw/zinc/12/27/51/221122751.db2.gz BTVSIMFTNFWNNK-SNVBAGLBSA-N 1 0 370.337 4.184 50 0 FIAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000062582236 221140581 /nfs/dbraw/zinc/14/05/81/221140581.db2.gz JFWFQNSGVIQAHO-VQIMIIECSA-N 1 0 371.550 4.361 50 0 FIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(-c2cccs2)c1 ZINC000064676019 221150343 /nfs/dbraw/zinc/15/03/43/221150343.db2.gz FRFFCKDKAUUFMM-KRWDZBQOSA-N 1 0 357.523 4.195 50 0 FIAARO CCOc1ccc(NC(=O)[C@]2(c3ccccc3)CCC[N@H+](CC)CC2)cc1 ZINC000065226044 221182489 /nfs/dbraw/zinc/18/24/89/221182489.db2.gz RZGKQCQEHNPBLN-HSZRJFAPSA-N 1 0 366.505 4.468 50 0 FIAARO CC[NH+](CC)CCCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1 ZINC000065097895 221168514 /nfs/dbraw/zinc/16/85/14/221168514.db2.gz GEQXJLBQAGQESC-UHFFFAOYSA-N 1 0 369.444 4.082 50 0 FIAARO C[C@H](Nc1nc(CC[NH3+])nc2ccccc21)c1ccccc1C(F)(F)F ZINC000065408496 221215001 /nfs/dbraw/zinc/21/50/01/221215001.db2.gz IORPGWGZBOGDLN-LBPRGKRZSA-N 1 0 360.383 4.323 50 0 FIAARO Clc1cnccc1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065451893 221220630 /nfs/dbraw/zinc/22/06/30/221220630.db2.gz BVLHDQPSMGFZLC-KRWDZBQOSA-N 1 0 350.853 4.182 50 0 FIAARO Cc1cc([C@@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)o1 ZINC000065499973 221227140 /nfs/dbraw/zinc/22/71/40/221227140.db2.gz RXTKXQDNQARLAJ-MRXNPFEDSA-N 1 0 355.482 4.053 50 0 FIAARO c1ccc(C(c2n[nH]c3c2C[N@H+](C[C@H]2CCCO2)CC3)c2ccccc2)cc1 ZINC000067649065 221264559 /nfs/dbraw/zinc/26/45/59/221264559.db2.gz NHOLWZVCNVOTIM-HXUWFJFHSA-N 1 0 373.500 4.127 50 0 FIAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cccnc2Oc2ccc(F)c(F)c2)n1 ZINC000067675262 221269246 /nfs/dbraw/zinc/26/92/46/221269246.db2.gz BZTZSAIURWZRAR-AWEZNQCLSA-N 1 0 372.419 4.144 50 0 FIAARO COc1cc(Oc2ncccc2C(F)(F)F)ccc1C[NH+]1CCCC1 ZINC000067805485 221288973 /nfs/dbraw/zinc/28/89/73/221288973.db2.gz YXESBOIFEHOBTD-UHFFFAOYSA-N 1 0 352.356 4.497 50 0 FIAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCn1cccc1)C2 ZINC000067756075 221281923 /nfs/dbraw/zinc/28/19/23/221281923.db2.gz YJXWKMZYDLLCFG-UHFFFAOYSA-N 1 0 368.864 4.409 50 0 FIAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@@H]3c3cccnc3)cc2c1 ZINC000067909124 221304009 /nfs/dbraw/zinc/30/40/09/221304009.db2.gz WKLIXWNDHUSVSY-OAQYLSRUSA-N 1 0 363.461 4.049 50 0 FIAARO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069629668 221326923 /nfs/dbraw/zinc/32/69/23/221326923.db2.gz JDXWSZIQRCRXJW-MRXNPFEDSA-N 1 0 358.869 4.167 50 0 FIAARO COc1cccc([C@@H](CNC(=O)C2CCC(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC000069691520 221327394 /nfs/dbraw/zinc/32/73/94/221327394.db2.gz PJZATMVCPOESPF-OUNSHVDWSA-N 1 0 360.542 4.267 50 0 FIAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)CC1 ZINC000000804951 132378612 /nfs/dbraw/zinc/37/86/12/132378612.db2.gz MZSRYKCCGRTXOI-UHFFFAOYSA-N 1 0 357.885 4.043 50 0 FIAARO Cc1cc(C[N@@H+](C)C2CCN(c3ccc(-c4cscn4)cc3)CC2)on1 ZINC000048501565 136123729 /nfs/dbraw/zinc/12/37/29/136123729.db2.gz ZLAPXDNOBKOMHI-UHFFFAOYSA-N 1 0 368.506 4.207 50 0 FIAARO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc3ccccc32)cc1 ZINC000078597128 221668039 /nfs/dbraw/zinc/66/80/39/221668039.db2.gz AOAWCXWGEQTIDE-QFIPXVFZSA-N 1 0 360.457 4.452 50 0 FIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3coc(C)n3)CC2)C1 ZINC000096142110 222046428 /nfs/dbraw/zinc/04/64/28/222046428.db2.gz RGEXKVRDDOAGRK-HXUWFJFHSA-N 1 0 353.510 4.075 50 0 FIAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000096410093 222119754 /nfs/dbraw/zinc/11/97/54/222119754.db2.gz YFPLQTIYPZQOJC-UHFFFAOYSA-N 1 0 353.491 4.424 50 0 FIAARO Cc1cncnc1C1CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000097547490 222189889 /nfs/dbraw/zinc/18/98/89/222189889.db2.gz LMRYWCRYHLMVSD-UHFFFAOYSA-N 1 0 352.869 4.366 50 0 FIAARO C[C@H]([NH2+]C1(CNCc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002567 222149300 /nfs/dbraw/zinc/14/93/00/222149300.db2.gz ZXJCGYDYWHXRHF-LVCYWYKZSA-N 1 0 368.521 4.393 50 0 FIAARO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)C1 ZINC000097528900 222187993 /nfs/dbraw/zinc/18/79/93/222187993.db2.gz PDMVDEFSIVSMRR-OAQYLSRUSA-N 1 0 369.440 4.178 50 0 FIAARO FC(F)(F)c1cccc(OCc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)c1 ZINC000097578915 222194510 /nfs/dbraw/zinc/19/45/10/222194510.db2.gz MCMLKQQXQAOKOE-UHFFFAOYSA-N 1 0 373.378 4.320 50 0 FIAARO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000097604029 222198005 /nfs/dbraw/zinc/19/80/05/222198005.db2.gz SMCVBXMQGXQYMI-HNNXBMFYSA-N 1 0 373.543 4.311 50 0 FIAARO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000097954599 222217347 /nfs/dbraw/zinc/21/73/47/222217347.db2.gz ZITIESYBEZHWMN-UHFFFAOYSA-N 1 0 351.494 4.188 50 0 FIAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000005606699 263342072 /nfs/dbraw/zinc/34/20/72/263342072.db2.gz DRIHPGMHJZGJCI-GOSISDBHSA-N 1 0 352.478 4.066 50 0 FIAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1cccs1 ZINC000006870261 263347884 /nfs/dbraw/zinc/34/78/84/263347884.db2.gz MOHGUEKRNQPLPB-UHFFFAOYSA-N 1 0 354.475 4.411 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cccc2)cc1 ZINC000009645850 263362426 /nfs/dbraw/zinc/36/24/26/263362426.db2.gz QPKGNYWBGDTMRL-UHFFFAOYSA-N 1 0 359.473 4.003 50 0 FIAARO CCn1c2ccccc2nc1CN1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000020166662 263379226 /nfs/dbraw/zinc/37/92/26/263379226.db2.gz PPHFHIWTJWJUHX-OAQYLSRUSA-N 1 0 374.532 4.079 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(F)c2F)oc1C ZINC000020857558 521985350 /nfs/dbraw/zinc/98/53/50/521985350.db2.gz CDFPYAHMUCLQNI-CQSZACIVSA-N 1 0 350.409 4.319 50 0 FIAARO C[N@H+](Cc1cccc2cnccc21)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000020600686 523320948 /nfs/dbraw/zinc/32/09/48/523320948.db2.gz AYUHPTLTDIQSFE-NRFANRHFSA-N 1 0 363.480 4.470 50 0 FIAARO CCc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000020889727 523983944 /nfs/dbraw/zinc/98/39/44/523983944.db2.gz OTDVHISANIXAJH-UHFFFAOYSA-N 1 0 369.484 4.422 50 0 FIAARO Cc1ccccc1CC(=O)N1CCC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000020996102 525093676 /nfs/dbraw/zinc/09/36/76/525093676.db2.gz FQCSGHHITDWMHG-TZIWHRDSSA-N 1 0 368.546 4.112 50 0 FIAARO COc1ccc([C@H](C)[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)cc1OC ZINC000091690182 525324825 /nfs/dbraw/zinc/32/48/25/525324825.db2.gz YQZXSVGCWGGSOS-LBPRGKRZSA-N 1 0 372.852 4.050 50 0 FIAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](CCCC4CCCC4)C3)CC2)cc1 ZINC000020537844 526481998 /nfs/dbraw/zinc/48/19/98/526481998.db2.gz IBHULDNFJKJQFS-HSZRJFAPSA-N 1 0 355.570 4.243 50 0 FIAARO CCN1CC2(CCN(c3cc[nH+]c(C)c3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091725225 535443574 /nfs/dbraw/zinc/44/35/74/535443574.db2.gz BJKZWJJUBDKHLY-OAQYLSRUSA-N 1 0 363.505 4.013 50 0 FIAARO c1cc(CN2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)CC2)ccn1 ZINC000215380211 568067106 /nfs/dbraw/zinc/06/71/06/568067106.db2.gz MGPHDBGJQHVLCL-UHFFFAOYSA-N 1 0 365.521 4.111 50 0 FIAARO CCN1C[C@]2(CCC[N@H+](Cc3cc(F)ccc3C(F)(F)F)C2)CCC1=O ZINC000091908356 570442583 /nfs/dbraw/zinc/44/25/83/570442583.db2.gz HQQGDEIBJVFJTN-GOSISDBHSA-N 1 0 372.406 4.069 50 0 FIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000091951794 570443609 /nfs/dbraw/zinc/44/36/09/570443609.db2.gz MUUGVOZGNOMSMP-QFIPXVFZSA-N 1 0 362.517 4.418 50 0 FIAARO c1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc2c1 ZINC000095381909 570459081 /nfs/dbraw/zinc/45/90/81/570459081.db2.gz TYSLSMGLOOYRJF-XUZZJYLKSA-N 1 0 357.501 4.331 50 0 FIAARO COc1cccc(Oc2ccc(NC(=O)NCC[C@H]3CCC[N@@H+]3C)cc2)c1 ZINC000095498834 570462163 /nfs/dbraw/zinc/46/21/63/570462163.db2.gz ASFLEEMZTDRNDY-QGZVFWFLSA-N 1 0 369.465 4.093 50 0 FIAARO CC(C)n1cccc1C(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095498480 570462396 /nfs/dbraw/zinc/46/23/96/570462396.db2.gz OPUXRRPVVHNDLT-HXUWFJFHSA-N 1 0 365.521 4.163 50 0 FIAARO Cc1cc(C)cc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)c1 ZINC000095504046 570463964 /nfs/dbraw/zinc/46/39/64/570463964.db2.gz IACUYNFCOOQCLG-JOCHJYFZSA-N 1 0 362.517 4.398 50 0 FIAARO CCc1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)on1 ZINC000095508835 570464754 /nfs/dbraw/zinc/46/47/54/570464754.db2.gz MODHPCMQXXERQM-MRXNPFEDSA-N 1 0 373.472 4.315 50 0 FIAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001850114 570508905 /nfs/dbraw/zinc/50/89/05/570508905.db2.gz KXUBAVLIJFTASZ-UHFFFAOYSA-N 1 0 354.469 4.276 50 0 in-man FIAARO CCOC(=O)c1ccc(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000002514501 570523148 /nfs/dbraw/zinc/52/31/48/570523148.db2.gz ZJLDEWAAYDWXQP-UHFFFAOYSA-N 1 0 351.446 4.080 50 0 FIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(CC)cc3)c2)C1 ZINC000034670392 570527137 /nfs/dbraw/zinc/52/71/37/570527137.db2.gz KNNDZQOQNPGBRF-FQEVSTJZSA-N 1 0 352.478 4.086 50 0 FIAARO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000034683145 570532126 /nfs/dbraw/zinc/53/21/26/570532126.db2.gz KNDCCKYPENDKPR-UHFFFAOYSA-N 1 0 372.534 4.410 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 ZINC000004886655 570555080 /nfs/dbraw/zinc/55/50/80/570555080.db2.gz HOJYIPSJFARYNJ-OAQYLSRUSA-N 1 0 364.514 4.351 50 0 FIAARO CC(C)CC[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154323 570572462 /nfs/dbraw/zinc/57/24/62/570572462.db2.gz DSHHAQUMMDIINJ-UHFFFAOYSA-N 1 0 361.898 4.441 50 0 FIAARO Cc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCC=C3[NH+]3CCCCC3)C2=O)cc1 ZINC000005015856 570575061 /nfs/dbraw/zinc/57/50/61/570575061.db2.gz PHLHBPIOWMXUBQ-OALUTQOASA-N 1 0 352.478 4.044 50 0 FIAARO Brc1ccc2c(c1)[C@@H](C1=[NH+]CCN1)c1ccccc1CS2 ZINC000004128073 570577712 /nfs/dbraw/zinc/57/77/12/570577712.db2.gz JEXBWNOUCUFHHS-INIZCTEOSA-N 1 0 359.292 4.188 50 0 FIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1F ZINC000004413574 570590309 /nfs/dbraw/zinc/59/03/09/570590309.db2.gz VQUOFJKBJXIAQN-UHFFFAOYSA-N 1 0 352.409 4.098 50 0 FIAARO C[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000004452429 570591031 /nfs/dbraw/zinc/59/10/31/570591031.db2.gz UFHWOVCVCKOHGI-HKUYNNGSSA-N 1 0 364.272 4.016 50 0 FIAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1 ZINC000004664866 570599279 /nfs/dbraw/zinc/59/92/79/570599279.db2.gz QZHRCDTUIZFOPW-CQSZACIVSA-N 1 0 362.267 4.126 50 0 FIAARO O=C([C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCCCC1 ZINC000004745071 570604410 /nfs/dbraw/zinc/60/44/10/570604410.db2.gz LZXILGAYFAYKON-OAQYLSRUSA-N 1 0 350.506 4.454 50 0 FIAARO C[NH+](C)Cc1ccc([C@@]2(c3ccccc3)O[C@@](C)(O)c3ccccc32)cc1 ZINC000004797733 570607086 /nfs/dbraw/zinc/60/70/86/570607086.db2.gz BGUFLAMMGLHEGY-DNQXCXABSA-N 1 0 359.469 4.235 50 0 FIAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)[C@H]2C1 ZINC000426489319 570608624 /nfs/dbraw/zinc/60/86/24/570608624.db2.gz FGQOUCWWKQFAQC-NKKJXINNSA-N 1 0 363.501 4.416 50 0 FIAARO CC[NH+]1CCN(c2ncnc3scc(-c4cc(C)c(C)c(C)c4)c32)CC1 ZINC000005672347 570632925 /nfs/dbraw/zinc/63/29/25/570632925.db2.gz KHPMIFSSPQXGOS-UHFFFAOYSA-N 1 0 366.534 4.425 50 0 FIAARO c1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3c3ccccc32)cc1 ZINC000005244079 570639500 /nfs/dbraw/zinc/63/95/00/570639500.db2.gz HJGGJDBHXBIAET-UHFFFAOYSA-N 1 0 357.461 4.321 50 0 FIAARO Brc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)o1 ZINC000584904432 570664193 /nfs/dbraw/zinc/66/41/93/570664193.db2.gz ZTYOGEWKQHYXSX-FUHWJXTLSA-N 1 0 367.331 4.271 50 0 FIAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000011665139 570704640 /nfs/dbraw/zinc/70/46/40/570704640.db2.gz DDGXMWAAKQCALO-SFHVURJKSA-N 1 0 374.440 4.058 50 0 FIAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011874675 570710761 /nfs/dbraw/zinc/71/07/61/570710761.db2.gz VCRQXPAUVWQEBD-HXUWFJFHSA-N 1 0 365.851 4.435 50 0 FIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)C2)c1 ZINC000012050180 570714910 /nfs/dbraw/zinc/71/49/10/570714910.db2.gz UZKLZDBSYPDQGN-IBGZPJMESA-N 1 0 353.462 4.113 50 0 FIAARO Cc1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012208926 570727973 /nfs/dbraw/zinc/72/79/73/570727973.db2.gz DCNRHUAPKNIIOV-HXUWFJFHSA-N 1 0 368.496 4.161 50 0 FIAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000012227333 570729988 /nfs/dbraw/zinc/72/99/88/570729988.db2.gz NNHULKVKJVUBFA-FXVWLTTGSA-N 1 0 365.473 4.312 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000012314261 570735916 /nfs/dbraw/zinc/73/59/16/570735916.db2.gz CLFNFTSRWZUQGV-SFHVURJKSA-N 1 0 356.897 4.119 50 0 FIAARO CC(C)=CC[NH+]1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 ZINC000012385850 570741243 /nfs/dbraw/zinc/74/12/43/570741243.db2.gz UEELNHGSQLBJCP-UHFFFAOYSA-N 1 0 370.522 4.130 50 0 FIAARO Cc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c1 ZINC000012387119 570741382 /nfs/dbraw/zinc/74/13/82/570741382.db2.gz QJXFORQKZFEZHR-LJQANCHMSA-N 1 0 368.496 4.161 50 0 FIAARO Cn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)cn1 ZINC000012433142 570744817 /nfs/dbraw/zinc/74/48/17/570744817.db2.gz WCJPLNHOHLMXLW-UHFFFAOYSA-N 1 0 363.509 4.158 50 0 FIAARO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCCO)c(C)o2)cc1 ZINC000012438684 570745688 /nfs/dbraw/zinc/74/56/88/570745688.db2.gz XEFLQLZIIYBDPW-GOSISDBHSA-N 1 0 358.482 4.176 50 0 FIAARO COc1cccc(Cn2cccc2C[N@H+](C[C@H](C)O)CC2CCCCC2)c1 ZINC000004354144 570753847 /nfs/dbraw/zinc/75/38/47/570753847.db2.gz PUWABSXDKRLHJW-IBGZPJMESA-N 1 0 370.537 4.308 50 0 FIAARO C[NH+](C)CCN(C(=O)/C=C/c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000004359153 570756952 /nfs/dbraw/zinc/75/69/52/570756952.db2.gz DQRNTIIKBLTQPT-DHZHZOJOSA-N 1 0 369.465 4.043 50 0 FIAARO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359563 570758272 /nfs/dbraw/zinc/75/82/72/570758272.db2.gz KMFMVLAICSFCQE-UHFFFAOYSA-N 1 0 371.481 4.342 50 0 FIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)C3CCCCC3)nc21 ZINC000004359697 570758788 /nfs/dbraw/zinc/75/87/88/570758788.db2.gz BUKADQQIXQFBEA-UHFFFAOYSA-N 1 0 359.539 4.470 50 0 FIAARO C[NH+]1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)CC1 ZINC000032625340 570759891 /nfs/dbraw/zinc/75/98/91/570759891.db2.gz LJSIXDJBHLLWHD-UHFFFAOYSA-N 1 0 352.869 4.384 50 0 FIAARO C[N@H+](CC(=O)N1CCSc2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000016342783 570854658 /nfs/dbraw/zinc/85/46/58/570854658.db2.gz PMYDCDRZRNAWBI-GOSISDBHSA-N 1 0 352.503 4.135 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000036697607 570881409 /nfs/dbraw/zinc/88/14/09/570881409.db2.gz RUPTYKLQBBRNLK-UEVHFDIWSA-N 1 0 352.478 4.055 50 0 FIAARO Clc1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nn1 ZINC000020353700 570914477 /nfs/dbraw/zinc/91/44/77/570914477.db2.gz WVIFGMIBRFVUGF-UHFFFAOYSA-N 1 0 364.880 4.042 50 0 FIAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000022935988 570953692 /nfs/dbraw/zinc/95/36/92/570953692.db2.gz YYFWEWXUWSEXBN-IBGZPJMESA-N 1 0 358.913 4.493 50 0 FIAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000022933797 570953702 /nfs/dbraw/zinc/95/37/02/570953702.db2.gz NYNSTQNZNNDBCV-KRWDZBQOSA-N 1 0 364.921 4.021 50 0 FIAARO CN(Cc1c[nH]nc1-c1ccccc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000023375446 570962741 /nfs/dbraw/zinc/96/27/41/570962741.db2.gz VYSCXUYOZKYDNF-QHCPKHFHSA-N 1 0 374.532 4.216 50 0 FIAARO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)n(-c2ccccc2)n1 ZINC000010931123 570971621 /nfs/dbraw/zinc/97/16/21/570971621.db2.gz SDBFXCSDPOJRTQ-UHFFFAOYSA-N 1 0 362.477 4.030 50 0 FIAARO c1ccc2sc(N3CC[NH+](Cc4cccc5cccnc54)CC3)nc2c1 ZINC000025045763 570989072 /nfs/dbraw/zinc/98/90/72/570989072.db2.gz UTVYYDJXGJSPFC-UHFFFAOYSA-N 1 0 360.486 4.167 50 0 FIAARO CC1CC[NH+]([C@@H](CNC(=O)N(C)Cc2ccccc2)c2cccs2)CC1 ZINC000026522090 571006043 /nfs/dbraw/zinc/00/60/43/571006043.db2.gz WPSCCGZZKVGOMA-IBGZPJMESA-N 1 0 371.550 4.363 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581634 571014564 /nfs/dbraw/zinc/01/45/64/571014564.db2.gz PFKJVHMMZNLWOO-JOCHJYFZSA-N 1 0 366.505 4.026 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027582251 571014652 /nfs/dbraw/zinc/01/46/52/571014652.db2.gz GEKXVCFBODHPLO-HXUWFJFHSA-N 1 0 364.514 4.397 50 0 FIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027663903 571017621 /nfs/dbraw/zinc/01/76/21/571017621.db2.gz XOMXFLYTVAIWTF-QQABJKMWSA-N 1 0 358.551 4.218 50 0 FIAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000028290377 571029525 /nfs/dbraw/zinc/02/95/25/571029525.db2.gz WUEBZDKNSBRARY-IBGZPJMESA-N 1 0 350.462 4.391 50 0 FIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1 ZINC000029198403 571037537 /nfs/dbraw/zinc/03/75/37/571037537.db2.gz KBDSVUMZWNODFD-GOSISDBHSA-N 1 0 366.383 4.353 50 0 FIAARO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000072286593 571041581 /nfs/dbraw/zinc/04/15/81/571041581.db2.gz MPPSEMWUIGXGRV-SFHVURJKSA-N 1 0 353.384 4.316 50 0 FIAARO Fc1cc(Br)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000225522291 571042796 /nfs/dbraw/zinc/04/27/96/571042796.db2.gz NBXQQBHZECADAE-OAGGEKHMSA-N 1 0 354.263 4.026 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)nc2ccccc21)c1cccc(F)c1 ZINC000029837171 571044233 /nfs/dbraw/zinc/04/42/33/571044233.db2.gz YATPVRSDSYEVQX-SFHVURJKSA-N 1 0 371.843 4.060 50 0 FIAARO CC(=O)Nc1cc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F ZINC000225567164 571045855 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FIAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000002827532 571070068 /nfs/dbraw/zinc/07/00/68/571070068.db2.gz BGEWMJCGLAFDHL-HSZRJFAPSA-N 1 0 359.469 4.152 50 0 FIAARO Cc1ccc(C(C)C)c(OCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022310264 571071411 /nfs/dbraw/zinc/07/14/11/571071411.db2.gz MTVRXHACKGJMSA-UHFFFAOYSA-N 1 0 352.522 4.315 50 0 FIAARO COc1cccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000040107914 571078024 /nfs/dbraw/zinc/07/80/24/571078024.db2.gz QLUICGRKRIDLEV-QGZVFWFLSA-N 1 0 352.478 4.108 50 0 FIAARO COc1ccccc1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000040107905 571078214 /nfs/dbraw/zinc/07/82/14/571078214.db2.gz PHLNDVKPPNRILJ-KRWDZBQOSA-N 1 0 352.478 4.108 50 0 FIAARO O=C(C1CC[NH+]([C@@H]2CCc3c2c(F)ccc3F)CC1)N1CCCCCC1 ZINC000084358665 571083189 /nfs/dbraw/zinc/08/31/89/571083189.db2.gz DLZMITJDEXLPDH-LJQANCHMSA-N 1 0 362.464 4.067 50 0 FIAARO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000040139321 571083883 /nfs/dbraw/zinc/08/38/83/571083883.db2.gz IPCIYKAWWAXOQK-HXUWFJFHSA-N 1 0 370.493 4.240 50 0 FIAARO Clc1ccc(Cl)c(-c2nn3c(CN4CCCCC4)nnc3s2)c1 ZINC000039389203 571088916 /nfs/dbraw/zinc/08/89/16/571088916.db2.gz DTIDKIUWYHIMOE-UHFFFAOYSA-N 1 0 368.293 4.146 50 0 FIAARO Brc1ccc2c(ccc(O[C@@H]3CC[NH2+]C3)c2Br)c1 ZINC000042774549 571098957 /nfs/dbraw/zinc/09/89/57/571098957.db2.gz UTFBYWWNVMSCJT-LLVKDONJSA-N 1 0 371.072 4.106 50 0 FIAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1C ZINC000009218316 571101514 /nfs/dbraw/zinc/10/15/14/571101514.db2.gz VBERIVLYKLJVOF-GOEBONIOSA-N 1 0 356.466 4.039 50 0 FIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000044856346 571103160 /nfs/dbraw/zinc/10/31/60/571103160.db2.gz HMHAIMJZKOQHTP-IBGZPJMESA-N 1 0 350.506 4.393 50 0 FIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000044933459 571104810 /nfs/dbraw/zinc/10/48/10/571104810.db2.gz CLTVTMNZPKBPSJ-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(F)cc1 ZINC000044934187 571105324 /nfs/dbraw/zinc/10/53/24/571105324.db2.gz ZRVFJIBLYBKRRL-HNNXBMFYSA-N 1 0 358.432 4.054 50 0 FIAARO O=C(Cc1ccc(F)cc1Cl)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000243915018 571112789 /nfs/dbraw/zinc/11/27/89/571112789.db2.gz BLPMPDQUDFPBSY-KRWDZBQOSA-N 1 0 374.887 4.050 50 0 FIAARO c1cc(-c2ccc(C[N@H+](Cc3ccsc3)C[C@H]3CCCO3)s2)n[nH]1 ZINC000055154117 571117111 /nfs/dbraw/zinc/11/71/11/571117111.db2.gz CCGALSLWGQYSPK-OAHLLOKOSA-N 1 0 359.520 4.381 50 0 FIAARO Fc1ccccc1OC[C@@H]1CCC[N@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC000244872924 571118235 /nfs/dbraw/zinc/11/82/35/571118235.db2.gz WHBIUIWLYDSFRE-MRXNPFEDSA-N 1 0 367.424 4.167 50 0 FIAARO CSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010280878 571124578 /nfs/dbraw/zinc/12/45/78/571124578.db2.gz OPBMCFQUMWKNKI-UHFFFAOYSA-N 1 0 354.519 4.324 50 0 FIAARO C[C@@H](CCc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010329991 571125249 /nfs/dbraw/zinc/12/52/49/571125249.db2.gz IWCBZEPRTKURTH-IBGZPJMESA-N 1 0 350.506 4.424 50 0 FIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068917 571143528 /nfs/dbraw/zinc/14/35/28/571143528.db2.gz YFSLDIXVYWKUSW-UHFFFAOYSA-N 1 0 361.898 4.130 50 0 FIAARO COc1cccc(N2CC[NH+]([C@@H](C)Cc3nc4ccccc4s3)CC2)c1 ZINC000075105706 571155019 /nfs/dbraw/zinc/15/50/19/571155019.db2.gz ZDACJTPQAFCZNN-INIZCTEOSA-N 1 0 367.518 4.058 50 0 FIAARO Cc1ccc2nc(C)c(C(=O)NC3CCC([NH+]4CCCCC4)CC3)cc2c1 ZINC000075106173 571155058 /nfs/dbraw/zinc/15/50/58/571155058.db2.gz KTZBHLSYRMSXIZ-UHFFFAOYSA-N 1 0 365.521 4.379 50 0 FIAARO COc1ccccc1CNc1[nH+]cc(-c2cccc(Br)c2)n1C ZINC000004678142 571158205 /nfs/dbraw/zinc/15/82/05/571158205.db2.gz PCVFMKKONXQQLL-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)c1OC ZINC000004678605 571158471 /nfs/dbraw/zinc/15/84/71/571158471.db2.gz NBVCSVBWMZKLFJ-UHFFFAOYSA-N 1 0 357.841 4.370 50 0 FIAARO CC[C@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 ZINC000005960766 571169526 /nfs/dbraw/zinc/16/95/26/571169526.db2.gz MVGBZVBZQSAEHQ-NRFANRHFSA-N 1 0 366.513 4.117 50 0 FIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)c1 ZINC000006025425 571170940 /nfs/dbraw/zinc/17/09/40/571170940.db2.gz UCUFRCLRWQRLJY-UHFFFAOYSA-N 1 0 357.841 4.370 50 0 FIAARO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000072140094 571171965 /nfs/dbraw/zinc/17/19/65/571171965.db2.gz FJTFSIYPUGYOCY-MOPGFXCFSA-N 1 0 367.493 4.223 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1csc2ccccc21 ZINC000575620493 571172845 /nfs/dbraw/zinc/17/28/45/571172845.db2.gz KONVKTZEUYKLAF-GOSISDBHSA-N 1 0 356.466 4.002 50 0 FIAARO c1coc(-c2ncc(C[N@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)cn2)c1 ZINC000072147877 571173593 /nfs/dbraw/zinc/17/35/93/571173593.db2.gz QMNARAQPJJIKIB-INIZCTEOSA-N 1 0 373.460 4.068 50 0 FIAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C4CCCC4)s3)C2)cc(=O)[nH]1 ZINC000072150454 571174310 /nfs/dbraw/zinc/17/43/10/571174310.db2.gz FQHPUPWTRXQEKY-MRXNPFEDSA-N 1 0 357.523 4.177 50 0 FIAARO c1cncc(COC2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)c1 ZINC000072158544 571175466 /nfs/dbraw/zinc/17/54/66/571175466.db2.gz XTYAMMXGHWEHSB-UHFFFAOYSA-N 1 0 359.473 4.325 50 0 FIAARO COc1ccc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000072167211 571176672 /nfs/dbraw/zinc/17/66/72/571176672.db2.gz URVFPSVSIHRUSB-UHFFFAOYSA-N 1 0 365.395 4.198 50 0 FIAARO O=C(CCSc1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971829 571178153 /nfs/dbraw/zinc/17/81/53/571178153.db2.gz OGHSLCLOZMOKSA-UHFFFAOYSA-N 1 0 374.575 4.259 50 0 FIAARO CCCC[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000006399186 571183705 /nfs/dbraw/zinc/18/37/05/571183705.db2.gz CHVIABYJXVEWCA-KRWDZBQOSA-N 1 0 359.857 4.000 50 0 FIAARO O=C1CCC(=O)N1C1CCC([NH2+][C@@H]2CCCC[C@@H]2C2=CCCCC2)CC1 ZINC000090854803 571189895 /nfs/dbraw/zinc/18/98/95/571189895.db2.gz WUBLBBMREYEIKM-NTFDOXNWSA-N 1 0 358.526 4.095 50 0 FIAARO FC(F)(F)c1ccnc(N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072412351 571192383 /nfs/dbraw/zinc/19/23/83/571192383.db2.gz OASJEEGTLJCSRF-MRXNPFEDSA-N 1 0 364.415 4.005 50 0 FIAARO C[C@H](C1CCN(Cc2cnc(C3CCCCC3)nc2)CC1)[NH+]1CCCC1 ZINC000072423476 571193840 /nfs/dbraw/zinc/19/38/40/571193840.db2.gz WPDKVMWKWRJDQV-GOSISDBHSA-N 1 0 356.558 4.221 50 0 FIAARO CC(C)(O)CCc1ccc(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427357 571194908 /nfs/dbraw/zinc/19/49/08/571194908.db2.gz BSYRVMAQRGDSQF-QFIPXVFZSA-N 1 0 358.570 4.088 50 0 FIAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000072428970 571195095 /nfs/dbraw/zinc/19/50/95/571195095.db2.gz BVDQINYHKLAEJD-NRFANRHFSA-N 1 0 374.912 4.021 50 0 FIAARO C[C@H](CCO)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072431201 571195709 /nfs/dbraw/zinc/19/57/09/571195709.db2.gz AEBYKSLEJXVUQX-QGZVFWFLSA-N 1 0 355.526 4.338 50 0 FIAARO c1ccc(-c2nc3ncccn3c2C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000072435998 571196578 /nfs/dbraw/zinc/19/65/78/571196578.db2.gz CGGYOHKKULODIP-UHFFFAOYSA-N 1 0 369.472 4.171 50 0 FIAARO COc1ccc2cc(C[N@@H+]3CCC[C@@H](O)C3)c(-c3cccc(C)c3)nc2c1 ZINC000072468944 571198219 /nfs/dbraw/zinc/19/82/19/571198219.db2.gz MIJYWZYIUKTVNO-HXUWFJFHSA-N 1 0 362.473 4.176 50 0 FIAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3ccc(-c4cccc(Cl)c4)cc3)C[C@H]12 ZINC000299796627 571202054 /nfs/dbraw/zinc/20/20/54/571202054.db2.gz PSKKXEMGRMGTAM-OWZKRDHZSA-N 1 0 369.896 4.278 50 0 FIAARO O=C(c1cccc(-c2ccnc3ccccc32)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000534590905 571205709 /nfs/dbraw/zinc/20/57/09/571205709.db2.gz RDPKUHVPEMAXAE-DEOSSOPVSA-N 1 0 371.484 4.118 50 0 FIAARO C[C@@H](NC(=O)N(C)Cc1ccccc1C[NH+]1CCCC1)c1ccsc1 ZINC000534646051 571206901 /nfs/dbraw/zinc/20/69/01/571206901.db2.gz KRVCRKBTERPXPO-MRXNPFEDSA-N 1 0 357.523 4.247 50 0 FIAARO Cc1cc(Cl)c(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)cc1F ZINC000534655944 571207697 /nfs/dbraw/zinc/20/76/97/571207697.db2.gz PELSSNKISBLLIN-QGZVFWFLSA-N 1 0 372.871 4.375 50 0 FIAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1c(C)noc1C ZINC000006558962 571209578 /nfs/dbraw/zinc/20/95/78/571209578.db2.gz IXBHPUCCBLUTHQ-UHFFFAOYSA-N 1 0 366.461 4.477 50 0 FIAARO CCCCN1C[C@]2(CCC[N@H+](Cc3sc(C)nc3CC)C2)CCC1=O ZINC000077379892 571209564 /nfs/dbraw/zinc/20/95/64/571209564.db2.gz OEMVTSVCILZOTO-HXUWFJFHSA-N 1 0 363.571 4.019 50 0 FIAARO c1cc(-c2ccc(C[NH+]3CCC(c4n[nH]cc4-c4ccccc4)CC3)o2)n[nH]1 ZINC000077470604 571212514 /nfs/dbraw/zinc/21/25/14/571212514.db2.gz LUGSVMLKFZRCFK-UHFFFAOYSA-N 1 0 373.460 4.439 50 0 FIAARO COc1c(F)cc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1Cl ZINC000077521732 571214521 /nfs/dbraw/zinc/21/45/21/571214521.db2.gz KXAQZVDVGVXDRI-MRXNPFEDSA-N 1 0 365.880 4.437 50 0 FIAARO CC(C)C(=O)c1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)s1 ZINC000426360138 571215278 /nfs/dbraw/zinc/21/52/78/571215278.db2.gz KOYAFVAWSHXEBD-QGZVFWFLSA-N 1 0 370.518 4.030 50 0 FIAARO O=C(NCC1([NH+]2CCCC2)CCCC1)c1ccc(-c2ccccc2O)cc1 ZINC000426369946 571215896 /nfs/dbraw/zinc/21/58/96/571215896.db2.gz NSVLBSFYVIXJMM-UHFFFAOYSA-N 1 0 364.489 4.198 50 0 FIAARO C[C@@H](c1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1)[NH+]1CCCC1 ZINC000426399472 571220316 /nfs/dbraw/zinc/22/03/16/571220316.db2.gz YBVWCNTWGJOVOW-KRWDZBQOSA-N 1 0 351.494 4.465 50 0 FIAARO CCOc1cccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)c1 ZINC000426541749 571230944 /nfs/dbraw/zinc/23/09/44/571230944.db2.gz XNCDLKKNUVYTOM-BHIFYINESA-N 1 0 359.510 4.024 50 0 FIAARO Cc1cccc(-c2ccc(C(=O)N(C)[C@@H](C[NH+](C)C)c3ccccc3)cc2)n1 ZINC000426707383 571236061 /nfs/dbraw/zinc/23/60/61/571236061.db2.gz IUVLXQPGESNGKS-QHCPKHFHSA-N 1 0 373.500 4.432 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)o1 ZINC000036097649 571241145 /nfs/dbraw/zinc/24/11/45/571241145.db2.gz YKKBJBOQEWFKJR-HXUWFJFHSA-N 1 0 351.446 4.030 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000036096130 571241174 /nfs/dbraw/zinc/24/11/74/571241174.db2.gz LSDYKVNKKUZYIT-NRFANRHFSA-N 1 0 371.521 4.156 50 0 biogenic FIAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036099229 571241294 /nfs/dbraw/zinc/24/12/94/571241294.db2.gz TYKINCUGOYEAEL-QGZVFWFLSA-N 1 0 353.915 4.299 50 0 FIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)c1 ZINC000036100321 571241504 /nfs/dbraw/zinc/24/15/04/571241504.db2.gz UCEBDZZNSWLMML-QFIPXVFZSA-N 1 0 371.521 4.121 50 0 FIAARO CC(C)CC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccccc1 ZINC000036099794 571241537 /nfs/dbraw/zinc/24/15/37/571241537.db2.gz UTMRYXLTUCZDLF-LJQANCHMSA-N 1 0 363.448 4.253 50 0 FIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)c1 ZINC000036100323 571241551 /nfs/dbraw/zinc/24/15/51/571241551.db2.gz UCEBDZZNSWLMML-JOCHJYFZSA-N 1 0 371.521 4.121 50 0 FIAARO COc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036102777 571241860 /nfs/dbraw/zinc/24/18/60/571241860.db2.gz NTZSIMCRPSHGQA-HSZRJFAPSA-N 1 0 361.485 4.301 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1C ZINC000036102259 571241999 /nfs/dbraw/zinc/24/19/99/571241999.db2.gz OHVKUZKKWAZCKW-ICSRJNTNSA-N 1 0 357.494 4.044 50 0 FIAARO Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)C[N@@H+](C)C(C)C ZINC000036345724 571248622 /nfs/dbraw/zinc/24/86/22/571248622.db2.gz PDEUXNTWGDBOHC-OAQYLSRUSA-N 1 0 367.468 4.152 50 0 FIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000036398722 571253258 /nfs/dbraw/zinc/25/32/58/571253258.db2.gz AJNNNDIHDQSGFJ-IIBYNOLFSA-N 1 0 370.468 4.239 50 0 FIAARO CC(C)n1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000170613466 571267955 /nfs/dbraw/zinc/26/79/55/571267955.db2.gz ONWYPDKTCIPTDT-PMACEKPBSA-N 1 0 353.510 4.217 50 0 FIAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000042340566 571270118 /nfs/dbraw/zinc/27/01/18/571270118.db2.gz NPVOLPQSGGFECB-DYVFJYSZSA-N 1 0 350.915 4.393 50 0 FIAARO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000089943224 571274345 /nfs/dbraw/zinc/27/43/45/571274345.db2.gz CTZKYNYAZNMUEN-HXUWFJFHSA-N 1 0 356.514 4.057 50 0 FIAARO CC(C)[C@@H](C(=O)Nc1ccccc1OCC[NH+]1CCCCC1)n1cccc1 ZINC000575444453 571275683 /nfs/dbraw/zinc/27/56/83/571275683.db2.gz AXSFHHLBFJIVLX-NRFANRHFSA-N 1 0 369.509 4.189 50 0 FIAARO CC[C@H](C)[NH2+]CCOCCOc1c(Cl)cc(C)cc1Br ZINC000002823556 571275788 /nfs/dbraw/zinc/27/57/88/571275788.db2.gz YRPBCCVACWCOGC-LBPRGKRZSA-N 1 0 364.711 4.194 50 0 FIAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237428765 571277259 /nfs/dbraw/zinc/27/72/59/571277259.db2.gz FPQIPZWMZHSUMR-MWLCHTKSSA-N 1 0 370.305 4.069 50 0 FIAARO Cc1nc(COc2ccc(C[NH2+][C@H](C)Cc3ccc(C)cc3C)cc2)no1 ZINC000237513082 571277264 /nfs/dbraw/zinc/27/72/64/571277264.db2.gz SNPSLMRSHGKJOL-QGZVFWFLSA-N 1 0 365.477 4.295 50 0 FIAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c(OC)c1 ZINC000252452695 571278821 /nfs/dbraw/zinc/27/88/21/571278821.db2.gz WSVMONBHLQEVIE-KGJVCODVSA-N 1 0 373.518 4.367 50 0 FIAARO CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccccc3)nc21 ZINC000007599566 571279631 /nfs/dbraw/zinc/27/96/31/571279631.db2.gz YHNUGBNCNMTIIR-UHFFFAOYSA-N 1 0 371.531 4.227 50 0 FIAARO CCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222481 571280410 /nfs/dbraw/zinc/28/04/10/571280410.db2.gz CLLNOMBKVSVWEX-QFIPXVFZSA-N 1 0 361.489 4.497 50 0 FIAARO CC(C)[NH+](CCNC(=O)COc1ccc(Nc2ccccc2)cc1)C(C)C ZINC000007735614 571287522 /nfs/dbraw/zinc/28/75/22/571287522.db2.gz CBMGUKVECZENSY-UHFFFAOYSA-N 1 0 369.509 4.044 50 0 FIAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000037560813 571288018 /nfs/dbraw/zinc/28/80/18/571288018.db2.gz IOYGQIGPBGMACE-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO CCC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000033360611 571308503 /nfs/dbraw/zinc/30/85/03/571308503.db2.gz FVIPWVWBVXHDQD-HXUWFJFHSA-N 1 0 355.414 4.139 50 0 FIAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000002330366 571318152 /nfs/dbraw/zinc/31/81/52/571318152.db2.gz DNCMBNQVYBHJGR-UHFFFAOYSA-N 1 0 368.868 4.075 50 0 FIAARO CCCCc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002414357 571321641 /nfs/dbraw/zinc/32/16/41/571321641.db2.gz JJDDLBJSQZNUNA-UHFFFAOYSA-N 1 0 369.538 4.044 50 0 FIAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000095381630 571329147 /nfs/dbraw/zinc/32/91/47/571329147.db2.gz YFQWPNVFECATEP-MOPGFXCFSA-N 1 0 369.534 4.176 50 0 FIAARO O=C(NC1CC[NH+](CCCOc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000095381823 571329154 /nfs/dbraw/zinc/32/91/54/571329154.db2.gz PPCDQJYSXJIXTF-UHFFFAOYSA-N 1 0 372.896 4.003 50 0 FIAARO COc1ccc(Cl)cc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000095455580 571330075 /nfs/dbraw/zinc/33/00/75/571330075.db2.gz ZZIYWSXLXVDJDS-UHFFFAOYSA-N 1 0 358.869 4.239 50 0 FIAARO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000095469081 571330580 /nfs/dbraw/zinc/33/05/80/571330580.db2.gz DRDXYSTUTPLKGV-DZGCQCFKSA-N 1 0 373.522 4.094 50 0 FIAARO C[C@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000095943502 571332445 /nfs/dbraw/zinc/33/24/45/571332445.db2.gz HXVIOPYTQXPYCV-HNAYVOBHSA-N 1 0 353.466 4.195 50 0 FIAARO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000095989236 571333575 /nfs/dbraw/zinc/33/35/75/571333575.db2.gz MNEPFHQATVXXPN-HRAATJIYSA-N 1 0 353.441 4.186 50 0 FIAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 ZINC000002628178 571339522 /nfs/dbraw/zinc/33/95/22/571339522.db2.gz YXLGTTWULGOLSM-INIZCTEOSA-N 1 0 374.440 4.199 50 0 FIAARO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000230040032 571340655 /nfs/dbraw/zinc/34/06/55/571340655.db2.gz XDYKPDWQBQHKHQ-VQIMIIECSA-N 1 0 360.498 4.077 50 0 FIAARO C[C@@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000003047152 571344072 /nfs/dbraw/zinc/34/40/72/571344072.db2.gz JMQRPCHCRMWVQE-ZDUSSCGKSA-N 1 0 351.903 4.255 50 0 FIAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)cc1 ZINC000003058457 571344401 /nfs/dbraw/zinc/34/44/01/571344401.db2.gz ROHQAPRARRRAOE-UHFFFAOYSA-N 1 0 361.555 4.121 50 0 FIAARO CCc1c(C)nn2c3nc(C)c(CC)c(C)[n+]3c(-c3ccccc3)c2c1C ZINC000003111482 571344851 /nfs/dbraw/zinc/34/48/51/571344851.db2.gz JHSMPCJZVLBZGX-UHFFFAOYSA-N 1 0 359.497 4.493 50 0 FIAARO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003206338 571345477 /nfs/dbraw/zinc/34/54/77/571345477.db2.gz XIAOEYNSXORRSX-GUYCJALGSA-N 1 0 363.527 4.399 50 0 FIAARO Cc1ccc(F)c(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1Cl ZINC000670436992 571346979 /nfs/dbraw/zinc/34/69/79/571346979.db2.gz IRHICMIQJMPYKE-KRWDZBQOSA-N 1 0 374.887 4.397 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 ZINC000003336518 571347748 /nfs/dbraw/zinc/34/77/48/571347748.db2.gz JBBXKSZCAHMTTA-GOSISDBHSA-N 1 0 367.518 4.038 50 0 FIAARO COc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c21)[NH+](C)C ZINC000003456085 571350048 /nfs/dbraw/zinc/35/00/48/571350048.db2.gz ILSBBOYTMAJXHE-OAHLLOKOSA-N 1 0 356.495 4.032 50 0 FIAARO Cc1cccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1 ZINC000031773492 571353640 /nfs/dbraw/zinc/35/36/40/571353640.db2.gz ZGLXAAKJGGGPSI-FQEVSTJZSA-N 1 0 358.526 4.021 50 0 FIAARO CC[NH+](CC)CCCNC(=O)C[C@H](CCC(C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004086210 571355018 /nfs/dbraw/zinc/35/50/18/571355018.db2.gz OVLXPNIOIDLIFE-VQTJNVASSA-N 1 0 368.606 4.482 50 0 biogenic FIAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2ccc(Cl)cc2Cl)N1O ZINC000004189827 571356662 /nfs/dbraw/zinc/35/66/62/571356662.db2.gz YFVQLCXGWYKOQL-INIZCTEOSA-N 1 0 351.233 4.475 50 0 FIAARO C[N@@H+]1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000007987968 571358148 /nfs/dbraw/zinc/35/81/48/571358148.db2.gz HXADREBEUHEXME-UHFFFAOYSA-N 1 0 358.898 4.154 50 0 FIAARO CN(Cc1cccn1-c1ccccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000022914643 1084834164 /nfs/dbraw/zinc/83/41/64/1084834164.db2.gz SOQLWKKRSMBVKG-QFIPXVFZSA-N 1 0 374.532 4.011 50 0 FIAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000002828250 1084841856 /nfs/dbraw/zinc/84/18/56/1084841856.db2.gz SMSGGUILIZIUDP-INIZCTEOSA-N 1 0 356.897 4.429 50 0 FIAARO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000178271240 1088827315 /nfs/dbraw/zinc/82/73/15/1088827315.db2.gz DTUDQMKPFHLVGX-LJQANCHMSA-N 1 0 370.880 4.058 50 0 FIAARO Cn1cc(C[N@@H+]2CCCCCCN(C)C(=O)[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000257182906 1090290096 /nfs/dbraw/zinc/29/00/96/1090290096.db2.gz QLJIJXMWWXTBTO-IRLDBZIGSA-N 1 0 367.537 4.181 50 0 FIAARO CC(C)CNC(=O)N1CCC([N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802993 1090399219 /nfs/dbraw/zinc/39/92/19/1090399219.db2.gz QHZBCOSUHHVSBV-NRFANRHFSA-N 1 0 369.553 4.434 50 0 FIAARO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)N1Cc1ccc(F)cc1 ZINC000675017291 1090892819 /nfs/dbraw/zinc/89/28/19/1090892819.db2.gz TWQGWAVECKXKHO-UHFFFAOYSA-N 1 0 358.482 4.044 50 0 FIAARO Cc1[nH]c2ccccc2c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061568469 1102297765 /nfs/dbraw/zinc/29/77/65/1102297765.db2.gz WUKIYQDHDVEWTQ-UHFFFAOYSA-N 1 0 367.518 4.180 50 0 FIAARO CCC(CC)(C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000262061229 1102978493 /nfs/dbraw/zinc/97/84/93/1102978493.db2.gz RQGLKDWPDDZOSP-QGZVFWFLSA-N 1 0 357.325 4.249 50 0 FIAARO Fc1ccc(CN2CCC([NH2+][C@H]3CCCOc4ccccc43)CC2)cc1F ZINC000166177143 1114949319 /nfs/dbraw/zinc/94/93/19/1114949319.db2.gz NIANNNLVTMSJSO-NRFANRHFSA-N 1 0 372.459 4.433 50 0 FIAARO O=C(Nc1ccccc1OC1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171524246 1115870637 /nfs/dbraw/zinc/87/06/37/1115870637.db2.gz ZCXWSONBNSXPDB-KRWDZBQOSA-N 1 0 357.498 4.100 50 0 FIAARO FC(F)(F)c1ccc([C@H]2CN(Cc3ccc4c[nH]nc4c3)CCO2)cc1 ZINC000180776672 1124429019 /nfs/dbraw/zinc/42/90/19/1124429019.db2.gz KWZGCUHLBXGWJQ-GOSISDBHSA-N 1 0 361.367 4.155 50 0 FIAARO FC(F)(F)c1ccc([C@@H]2CN(Cc3ccc4c[nH]nc4c3)CCO2)cc1 ZINC000180776652 1124429261 /nfs/dbraw/zinc/42/92/61/1124429261.db2.gz KWZGCUHLBXGWJQ-SFHVURJKSA-N 1 0 361.367 4.155 50 0 FIAARO Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H](C)O2 ZINC000011782558 1125111769 /nfs/dbraw/zinc/11/17/69/1125111769.db2.gz BEMGJKMZXDVXKS-OAHLLOKOSA-N 1 0 351.425 4.307 50 0 FIAARO CCn1c2ccc(OC)cc2[n+](CC)c1/C=C/N(C(C)=O)c1ccccc1 ZINC000000777896 219319312 /nfs/dbraw/zinc/31/93/12/219319312.db2.gz FCXQGVVKVFVMDM-UHFFFAOYSA-N 1 0 364.469 4.001 50 0 FIAARO OC1(c2ccc(Br)cc2)CC[NH+](C2CCCCCC2)CC1 ZINC000000757916 219319810 /nfs/dbraw/zinc/31/98/10/219319810.db2.gz FKTQVAMEGLGCGY-UHFFFAOYSA-N 1 0 352.316 4.455 50 0 FIAARO Cc1ccc(C2=NN(C(=O)CC[NH+]3CCCCC3)[C@H](c3ccco3)C2)cc1 ZINC000001306426 219393800 /nfs/dbraw/zinc/39/38/00/219393800.db2.gz YHDVDSVNDMGAKU-FQEVSTJZSA-N 1 0 365.477 4.142 50 0 FIAARO COc1cc(C[NH2+]CC2(c3ccccc3)CCCC2)cc(OC)c1OC ZINC000002116275 219427260 /nfs/dbraw/zinc/42/72/60/219427260.db2.gz XZNPCPYOZXXTPH-UHFFFAOYSA-N 1 0 355.478 4.314 50 0 biogenic FIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4ccc(F)cc4)[C@H]3C=C12 ZINC000004044593 219536623 /nfs/dbraw/zinc/53/66/23/219536623.db2.gz FFSNVRAKSCJUEN-LOHSHHQESA-N 1 0 371.496 4.272 50 0 biogenic FIAARO COc1cc(C[NH2+]CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)ccc1O ZINC000004026778 219534289 /nfs/dbraw/zinc/53/42/89/219534289.db2.gz BTRKQQZHDJJSEA-HSZRJFAPSA-N 1 0 369.505 4.408 50 0 biogenic FIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1OC)=[N+]2C ZINC000004313472 219563746 /nfs/dbraw/zinc/56/37/46/219563746.db2.gz VFLWQIFBZANTIS-ACCUITESSA-N 1 0 350.438 4.201 50 0 FIAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000004359685 219569682 /nfs/dbraw/zinc/56/96/82/219569682.db2.gz GZTUGRBPGKLOKE-UHFFFAOYSA-N 1 0 359.520 4.265 50 0 FIAARO COc1cccc(-c2c[nH+]c(NCc3ccc(Br)cc3)n2C)c1 ZINC000004678683 219594192 /nfs/dbraw/zinc/59/41/92/219594192.db2.gz CMNIISGZTJDZPN-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3cc(OC)ccc3OC)n2C)cc1 ZINC000004678928 219594339 /nfs/dbraw/zinc/59/43/39/219594339.db2.gz JGWPSXNFWSMKBX-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO Cc1ccccc1N1C(=O)[C@@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C(C)(C)C ZINC000004992305 219635500 /nfs/dbraw/zinc/63/55/00/219635500.db2.gz RJMBNFLEYUTTOZ-OALUTQOASA-N 1 0 372.896 4.199 50 0 FIAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3cccs3)sc2c(C)c1 ZINC000005121636 219651143 /nfs/dbraw/zinc/65/11/43/219651143.db2.gz GXBHUPYVBIZCKY-UHFFFAOYSA-N 1 0 359.520 4.183 50 0 FIAARO CCOc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C(C)C)C3 ZINC000006357373 219725620 /nfs/dbraw/zinc/72/56/20/219725620.db2.gz TUCDXOFJSOFFJW-GOSISDBHSA-N 1 0 371.506 4.342 50 0 FIAARO Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c2ccccc2)cc1 ZINC000007002918 219787165 /nfs/dbraw/zinc/78/71/65/219787165.db2.gz XZUPZSNPYHGUPL-WWPVKYPJSA-N 1 0 353.506 4.336 50 0 FIAARO COCc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)o1 ZINC000299775638 223090509 /nfs/dbraw/zinc/09/05/09/223090509.db2.gz GGQASXRSMBVWHD-KSZLIROESA-N 1 0 365.433 4.169 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000299791721 223099410 /nfs/dbraw/zinc/09/94/10/223099410.db2.gz GILXPEBMCGIJID-UHFFFAOYSA-N 1 0 362.905 4.130 50 0 FIAARO CCn1c(C)cc2cc(NC(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)ccc21 ZINC000299790908 223099590 /nfs/dbraw/zinc/09/95/90/223099590.db2.gz BXMXLHNVRRAHBU-HNNXBMFYSA-N 1 0 354.498 4.060 50 0 FIAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(C)c1C ZINC000012000182 219946059 /nfs/dbraw/zinc/94/60/59/219946059.db2.gz DZXRKBDSFIIKJY-HSZRJFAPSA-N 1 0 353.506 4.129 50 0 FIAARO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000012572630 220007819 /nfs/dbraw/zinc/00/78/19/220007819.db2.gz LJXZYKBKMLEYSV-NRFANRHFSA-N 1 0 364.468 4.303 50 0 FIAARO CSc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000012582129 220009059 /nfs/dbraw/zinc/00/90/59/220009059.db2.gz MDUFFTXBQAMTOS-FQEVSTJZSA-N 1 0 368.546 4.188 50 0 FIAARO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C(C1CC1)C1CC1 ZINC000012576662 220010085 /nfs/dbraw/zinc/01/00/85/220010085.db2.gz AHJXTDJOUQEIGV-UHFFFAOYSA-N 1 0 365.399 4.300 50 0 FIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1Cl ZINC000012677287 220016752 /nfs/dbraw/zinc/01/67/52/220016752.db2.gz NYDXVNLXYTXEJP-DJJJIMSYSA-N 1 0 358.869 4.417 50 0 FIAARO O=C(NCCc1c[nH]c2ccccc12)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012766605 220027440 /nfs/dbraw/zinc/02/74/40/220027440.db2.gz AFGUKYKFIDVWMB-UHFFFAOYSA-N 1 0 361.489 4.126 50 0 FIAARO CC(C)(C)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000012755884 220024889 /nfs/dbraw/zinc/02/48/89/220024889.db2.gz HPEWCRLVHRRXBV-UHFFFAOYSA-N 1 0 374.916 4.472 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c[nH]nc21)c1ccccc1Cl ZINC000012781783 220028972 /nfs/dbraw/zinc/02/89/72/220028972.db2.gz GSYQMZCVAHUYIV-GOSISDBHSA-N 1 0 370.884 4.029 50 0 FIAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccc(F)cc3)c2cc1C ZINC000012816788 220033755 /nfs/dbraw/zinc/03/37/55/220033755.db2.gz FYTYSGGLBUEIEI-UHFFFAOYSA-N 1 0 355.409 4.060 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(OC)c2)cc1 ZINC000012866411 220037399 /nfs/dbraw/zinc/03/73/99/220037399.db2.gz JSDHSZVBYUZCNX-NRFANRHFSA-N 1 0 368.477 4.260 50 0 FIAARO CCc1ccc2c(C[N@H+](C)CCOc3ccc(C)cc3)cc(=O)oc2c1 ZINC000012882382 220038703 /nfs/dbraw/zinc/03/87/03/220038703.db2.gz IWDHIAFBCMAADL-UHFFFAOYSA-N 1 0 351.446 4.175 50 0 FIAARO CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2)c2cccs2)CC1 ZINC000013012135 220053921 /nfs/dbraw/zinc/05/39/21/220053921.db2.gz LYAONHUQWBXRRN-GOSISDBHSA-N 1 0 357.523 4.021 50 0 FIAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000013363874 220066070 /nfs/dbraw/zinc/06/60/70/220066070.db2.gz AXCCPNQLIRLOQD-UHFFFAOYSA-N 1 0 367.493 4.037 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccs1 ZINC000014197866 220116171 /nfs/dbraw/zinc/11/61/71/220116171.db2.gz LWPBHCWGZHOMLM-HNNXBMFYSA-N 1 0 364.470 4.268 50 0 FIAARO Cc1ccsc1C(=O)N(Cc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000014887524 220135429 /nfs/dbraw/zinc/13/54/29/220135429.db2.gz GNGWBTUWAZLTAK-UHFFFAOYSA-N 1 0 372.534 4.192 50 0 FIAARO O=C(CCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000014969859 220136886 /nfs/dbraw/zinc/13/68/86/220136886.db2.gz JQZGDPAHCNTXAL-HXUWFJFHSA-N 1 0 370.924 4.301 50 0 FIAARO Cc1cc2nc(N3CCC[N@H+](Cc4cccs4)CC3)nc(C)c2cc1C ZINC000014974078 220138678 /nfs/dbraw/zinc/13/86/78/220138678.db2.gz GHFUIPOJGXLYTK-UHFFFAOYSA-N 1 0 366.534 4.329 50 0 FIAARO Cc1cc(C)c(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000015073553 220146450 /nfs/dbraw/zinc/14/64/50/220146450.db2.gz LDBYGJKLZUKGRI-GOSISDBHSA-N 1 0 372.484 4.062 50 0 FIAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc1F ZINC000015070119 220145750 /nfs/dbraw/zinc/14/57/50/220145750.db2.gz KGPZVMBDSWWOHK-CQSZACIVSA-N 1 0 360.433 4.046 50 0 FIAARO Cc1ccc2c(Cl)c(C(=O)NC3CC[NH+](C(C)C)CC3)sc2c1 ZINC000016605743 220187458 /nfs/dbraw/zinc/18/74/58/220187458.db2.gz YFUBRDDLRNFFLZ-UHFFFAOYSA-N 1 0 350.915 4.466 50 0 FIAARO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000016606794 220187514 /nfs/dbraw/zinc/18/75/14/220187514.db2.gz AYIKOFXLGKPCEA-UHFFFAOYSA-N 1 0 358.869 4.199 50 0 FIAARO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606685 220187924 /nfs/dbraw/zinc/18/79/24/220187924.db2.gz NVDKZACPKFAGMP-UHFFFAOYSA-N 1 0 360.567 4.081 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000019361437 220253626 /nfs/dbraw/zinc/25/36/26/220253626.db2.gz OJBNPPRMXHVJFU-UHFFFAOYSA-N 1 0 359.311 4.075 50 0 FIAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000019636856 220281041 /nfs/dbraw/zinc/28/10/41/220281041.db2.gz UETVUWAYCKPTFP-ZDUSSCGKSA-N 1 0 353.384 4.443 50 0 FIAARO CC(C)c1ccc2c(c1)C(N1CC[NH+](C)CC1)=Cc1cccnc1S2 ZINC000019802357 220298409 /nfs/dbraw/zinc/29/84/09/220298409.db2.gz XCPDJBQBNZEIHG-UHFFFAOYSA-N 1 0 351.519 4.415 50 0 FIAARO C[NH+]1CCN([C@H]2Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 ZINC000019802237 220299721 /nfs/dbraw/zinc/29/97/21/220299721.db2.gz GPRZDPJGSSBXME-KRWDZBQOSA-N 1 0 362.901 4.475 50 0 FIAARO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000020992892 220347905 /nfs/dbraw/zinc/34/79/05/220347905.db2.gz IGKHTEYGFMEQJT-ZDUSSCGKSA-N 1 0 357.379 4.484 50 0 FIAARO CC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000021170343 220354217 /nfs/dbraw/zinc/35/42/17/220354217.db2.gz FMRDNMNLODQRLF-FCHUYYIVSA-N 1 0 373.924 4.362 50 0 FIAARO Cc1cc(C)cc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1 ZINC000021170892 220355196 /nfs/dbraw/zinc/35/51/96/220355196.db2.gz KICYLYAMQZEUPJ-NRFANRHFSA-N 1 0 372.553 4.329 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000021911993 220371312 /nfs/dbraw/zinc/37/13/12/220371312.db2.gz APQLREHTPAZSOL-HSZRJFAPSA-N 1 0 374.484 4.415 50 0 biogenic FIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000022759644 220397345 /nfs/dbraw/zinc/39/73/45/220397345.db2.gz IFUPFSMTSNQAMZ-FQEVSTJZSA-N 1 0 364.514 4.377 50 0 FIAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000022783970 220398356 /nfs/dbraw/zinc/39/83/56/220398356.db2.gz XJCNDGXHTKEXLE-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000042963259 220943978 /nfs/dbraw/zinc/94/39/78/220943978.db2.gz BETMXTJHKJGHIO-AWEZNQCLSA-N 1 0 367.415 4.068 50 0 FIAARO COc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000043331999 220947325 /nfs/dbraw/zinc/94/73/25/220947325.db2.gz NPZXWIVWJIQKGQ-UHFFFAOYSA-N 1 0 373.884 4.266 50 0 FIAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000048362229 221010637 /nfs/dbraw/zinc/01/06/37/221010637.db2.gz PHPJRURMPUINKQ-FQEVSTJZSA-N 1 0 368.546 4.366 50 0 FIAARO COc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1O ZINC000048741629 221014123 /nfs/dbraw/zinc/01/41/23/221014123.db2.gz WBLRUBBTWYHDRW-UHFFFAOYSA-N 1 0 354.381 4.017 50 0 FIAARO CC[NH+]1CCC(N(C(=O)/C=C/c2ccc(Cl)cc2Cl)C2CC2)CC1 ZINC000048276255 221004485 /nfs/dbraw/zinc/00/44/85/221004485.db2.gz JMFMEANUKYZNOJ-XBXARRHUSA-N 1 0 367.320 4.482 50 0 FIAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(Cl)s2)c1)c1ccncc1 ZINC000055171606 221061225 /nfs/dbraw/zinc/06/12/25/221061225.db2.gz VMAFEKLHHUGYKY-UHFFFAOYSA-N 1 0 357.866 4.339 50 0 FIAARO CC[C@H](C)[N@H+](Cc1cccc(OCC(N)=O)c1)Cc1ccccc1Cl ZINC000055168104 221061595 /nfs/dbraw/zinc/06/15/95/221061595.db2.gz DSCGVODGXJPNRS-HNNXBMFYSA-N 1 0 360.885 4.005 50 0 FIAARO Cn1cnnc1Sc1ccc(C[N@H+](C)CCCSc2ccccc2)o1 ZINC000055242286 221063654 /nfs/dbraw/zinc/06/36/54/221063654.db2.gz CTTCGRDORNFJGT-UHFFFAOYSA-N 1 0 374.535 4.174 50 0 FIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(OC)ccc23)c1 ZINC000057403177 221087501 /nfs/dbraw/zinc/08/75/01/221087501.db2.gz HTQHVMDWRLKFHK-FQEVSTJZSA-N 1 0 365.429 4.147 50 0 FIAARO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1OC ZINC000057435060 221088847 /nfs/dbraw/zinc/08/88/47/221088847.db2.gz UMFQRWCHRVUNOB-HNNXBMFYSA-N 1 0 364.445 4.146 50 0 FIAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC000058150824 221099020 /nfs/dbraw/zinc/09/90/20/221099020.db2.gz BTFFEXHSZJUEDP-SFHVURJKSA-N 1 0 365.304 4.263 50 0 FIAARO C[C@@H](NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000058161161 221100238 /nfs/dbraw/zinc/10/02/38/221100238.db2.gz SYXRCHGRDHPCJO-QGZVFWFLSA-N 1 0 362.448 4.382 50 0 FIAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 ZINC000058161143 221100566 /nfs/dbraw/zinc/10/05/66/221100566.db2.gz AQKSAAFGTPHTGI-UHFFFAOYSA-N 1 0 364.876 4.335 50 0 FIAARO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000061012463 221133828 /nfs/dbraw/zinc/13/38/28/221133828.db2.gz AQRRROXWGQEYFM-HXUWFJFHSA-N 1 0 368.912 4.227 50 0 FIAARO C[N@@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000058377572 221116838 /nfs/dbraw/zinc/11/68/38/221116838.db2.gz SFNOEVJKFLXSJL-KRWDZBQOSA-N 1 0 372.900 4.111 50 0 FIAARO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000058428449 221119246 /nfs/dbraw/zinc/11/92/46/221119246.db2.gz CEGKGGSBUWJUTA-FQEVSTJZSA-N 1 0 367.880 4.388 50 0 FIAARO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000062582233 221140469 /nfs/dbraw/zinc/14/04/69/221140469.db2.gz JFWFQNSGVIQAHO-QFBILLFUSA-N 1 0 371.550 4.361 50 0 FIAARO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000062582227 221141076 /nfs/dbraw/zinc/14/10/76/221141076.db2.gz JFWFQNSGVIQAHO-LPHOPBHVSA-N 1 0 371.550 4.361 50 0 FIAARO CCc1oc(C(=O)Nc2ccnn2[C@H](C)C(C)C)cc1C[NH+](CC)CC ZINC000063832295 221143909 /nfs/dbraw/zinc/14/39/09/221143909.db2.gz NOWVABABQBHJQB-OAHLLOKOSA-N 1 0 360.502 4.350 50 0 FIAARO Cc1c(-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000065366143 221203391 /nfs/dbraw/zinc/20/33/91/221203391.db2.gz DUQRMVUMIKBJCY-HXUWFJFHSA-N 1 0 369.472 4.246 50 0 FIAARO O=C(Nc1ccccc1Cl)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255134 221188868 /nfs/dbraw/zinc/18/88/68/221188868.db2.gz HNWYTPBUKBXLCC-UHFFFAOYSA-N 1 0 368.868 4.038 50 0 FIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(Cc1ccco1)C1CCCC1 ZINC000065553791 221234206 /nfs/dbraw/zinc/23/42/06/221234206.db2.gz IUBRWGKVHFXVGF-IBGZPJMESA-N 1 0 371.481 4.164 50 0 FIAARO OCc1ccc(-c2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)ccn2)cc1 ZINC000065498577 221227582 /nfs/dbraw/zinc/22/75/82/221227582.db2.gz UZVHULSVIKPAFK-HSZRJFAPSA-N 1 0 358.485 4.273 50 0 FIAARO OCc1ccc(-c2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)o1 ZINC000065531635 221231666 /nfs/dbraw/zinc/23/16/66/221231666.db2.gz JLQNEISRPZFBHK-UHFFFAOYSA-N 1 0 365.477 4.178 50 0 FIAARO CC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)c1 ZINC000065593268 221234495 /nfs/dbraw/zinc/23/44/95/221234495.db2.gz YBRWCSKNVOCKHO-UHFFFAOYSA-N 1 0 374.444 4.082 50 0 FIAARO COc1cc([C@H](C)[NH2+]Cc2cc(C)c(OC)c(C)c2)cc(OC)c1OC ZINC000067188669 221248548 /nfs/dbraw/zinc/24/85/48/221248548.db2.gz PTTPQIOQQKIAGI-HNNXBMFYSA-N 1 0 359.466 4.189 50 0 FIAARO c1coc([C@H](Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)[NH+]2CCCC2)c1 ZINC000067447390 221254459 /nfs/dbraw/zinc/25/44/59/221254459.db2.gz QFXRMXIVRMDKBK-SFHVURJKSA-N 1 0 373.460 4.370 50 0 FIAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CCCc1ccccc1)C2 ZINC000067459639 221255699 /nfs/dbraw/zinc/25/56/99/221255699.db2.gz PQEFKPQDQJTRBQ-UHFFFAOYSA-N 1 0 360.457 4.281 50 0 FIAARO c1cc(-c2ccc(C[N@@H+]3CC[C@@H](c4ccnc(-c5ccncc5)c4)C3)o2)n[nH]1 ZINC000067934820 221306474 /nfs/dbraw/zinc/30/64/74/221306474.db2.gz ACWAJEHCZBBWQX-GOSISDBHSA-N 1 0 371.444 4.116 50 0 FIAARO c1ccc(-c2ccc(-c3n[nH]c4c3C[N@H+](C[C@H]3CCCO3)CC4)cc2)cc1 ZINC000067955696 221309246 /nfs/dbraw/zinc/30/92/46/221309246.db2.gz ITWVJCPTDJKPJZ-HXUWFJFHSA-N 1 0 359.473 4.281 50 0 FIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000069516724 221326418 /nfs/dbraw/zinc/32/64/18/221326418.db2.gz WHRAIPWGUZXPNX-MRXNPFEDSA-N 1 0 353.510 4.041 50 0 FIAARO Cc1ccccc1C[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000069779129 221327913 /nfs/dbraw/zinc/32/79/13/221327913.db2.gz XWYSQRFIJZNOFD-JOCHJYFZSA-N 1 0 354.538 4.388 50 0 FIAARO CC1(C)C[C@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000072149930 221428531 /nfs/dbraw/zinc/42/85/31/221428531.db2.gz FRDSPDYPAQVJCQ-OAHLLOKOSA-N 1 0 371.443 4.194 50 0 FIAARO CC(C)c1ncc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)s1 ZINC000097032358 132227272 /nfs/dbraw/zinc/22/72/72/132227272.db2.gz YINRDKIUZRSHTD-UHFFFAOYSA-N 1 0 358.555 4.409 50 0 FIAARO C[N@@H+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000013163400 132267511 /nfs/dbraw/zinc/26/75/11/132267511.db2.gz PEBFQZHOUXRNCQ-QGZVFWFLSA-N 1 0 372.394 4.142 50 0 FIAARO C[N@@H+](Cc1cccnc1)C[C@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592757 132371458 /nfs/dbraw/zinc/37/14/58/132371458.db2.gz MVHAMHVVNZVGGD-QGZVFWFLSA-N 1 0 352.507 4.040 50 0 FIAARO Cc1cc(N2CCC(CNC(=O)c3cc4ccccc4s3)CC2)cc[nH+]1 ZINC000245015273 132376505 /nfs/dbraw/zinc/37/65/05/132376505.db2.gz LTQBAOFDPXCVDQ-UHFFFAOYSA-N 1 0 365.502 4.251 50 0 FIAARO COc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000001227170 132381351 /nfs/dbraw/zinc/38/13/51/132381351.db2.gz RTFQXPHYQASDRR-UHFFFAOYSA-N 1 0 350.384 4.036 50 0 FIAARO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000001406232 132381763 /nfs/dbraw/zinc/38/17/63/132381763.db2.gz BFGJKHVCAWKIKK-AWNIVKPZSA-N 1 0 363.505 4.214 50 0 FIAARO Cc1nccc(-c2cccc(N3CCC([NH2+]Cc4ccsc4)CC3)c2)n1 ZINC000055182834 136126153 /nfs/dbraw/zinc/12/61/53/136126153.db2.gz CTIBBHAQBOFGFD-UHFFFAOYSA-N 1 0 364.518 4.272 50 0 FIAARO Fc1ccc(/C=C/C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)cc1 ZINC000072418513 136145765 /nfs/dbraw/zinc/14/57/65/136145765.db2.gz PSSIILRRMDGAMR-HWKANZROSA-N 1 0 351.469 4.369 50 0 FIAARO Cc1nc(-c2cccc(N3CCC([NH2+]C[C@@H]4CCCOC4)CC3)c2)cs1 ZINC000023311830 136152591 /nfs/dbraw/zinc/15/25/91/136152591.db2.gz LICHCKODQOAKKV-KRWDZBQOSA-N 1 0 371.550 4.104 50 0 FIAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091690157 221783679 /nfs/dbraw/zinc/78/36/79/221783679.db2.gz HWHPYWASMUAAAZ-CQSZACIVSA-N 1 0 352.906 4.260 50 0 FIAARO CCc1c2ccccc2[nH]c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095382404 221887137 /nfs/dbraw/zinc/88/71/37/221887137.db2.gz IYSRKSPEDHBPCT-QZTJIDSGSA-N 1 0 365.521 4.067 50 0 FIAARO Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000095469082 221914700 /nfs/dbraw/zinc/91/47/00/221914700.db2.gz DRDXYSTUTPLKGV-UKRRQHHQSA-N 1 0 373.522 4.094 50 0 FIAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 ZINC000095466884 221914945 /nfs/dbraw/zinc/91/49/45/221914945.db2.gz WJYFAQYBMUXADQ-TUKIKUTGSA-N 1 0 366.552 4.181 50 0 FIAARO CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 ZINC000095956313 221979735 /nfs/dbraw/zinc/97/97/35/221979735.db2.gz ZDHDHIJJNKUWCS-NRFANRHFSA-N 1 0 360.461 4.011 50 0 FIAARO CC[NH+](CC)Cc1cc(-c2nc([C@H]3CCOC3)no2)c(-c2ccccc2)o1 ZINC000096148274 222050588 /nfs/dbraw/zinc/05/05/88/222050588.db2.gz MGBVYYNPXNQFHL-INIZCTEOSA-N 1 0 367.449 4.342 50 0 FIAARO COCCCOc1cccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c1 ZINC000097020845 222151871 /nfs/dbraw/zinc/15/18/71/222151871.db2.gz VQABUQJBJLJCDJ-UHFFFAOYSA-N 1 0 369.383 4.290 50 0 FIAARO CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097272500 222171879 /nfs/dbraw/zinc/17/18/79/222171879.db2.gz HIMZHBRCANFUTM-LJQANCHMSA-N 1 0 355.482 4.274 50 0 FIAARO CCC[NH+]1CCC(NC(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 ZINC000097595746 222195115 /nfs/dbraw/zinc/19/51/15/222195115.db2.gz WFOJXAXYZBOZNZ-UHFFFAOYSA-N 1 0 360.527 4.416 50 0 FIAARO Cc1nccc(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)n1 ZINC000097716982 222207738 /nfs/dbraw/zinc/20/77/38/222207738.db2.gz GPDMGPOYQWPIDF-LJQANCHMSA-N 1 0 357.523 4.468 50 0 FIAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000097823554 222216632 /nfs/dbraw/zinc/21/66/32/222216632.db2.gz JDNWXSJMLWLEFF-UHFFFAOYSA-N 1 0 366.509 4.432 50 0 FIAARO Cc1cc(Br)cc(C)c1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020168006 263379178 /nfs/dbraw/zinc/37/91/78/263379178.db2.gz AXCLDRRARJYSOU-HZPDHXFCSA-N 1 0 370.331 4.334 50 0 FIAARO Brc1c(OCCCC[NH+]2CCOCC2)ccc2ccccc21 ZINC000020117909 518206308 /nfs/dbraw/zinc/20/63/08/518206308.db2.gz RUKPGTCAJSZEGO-UHFFFAOYSA-N 1 0 364.283 4.094 50 0 FIAARO Cc1ccsc1-c1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000299774135 534454090 /nfs/dbraw/zinc/45/40/90/534454090.db2.gz AXOYFVNEOVSCHV-UHFFFAOYSA-N 1 0 354.519 4.281 50 0 FIAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CC ZINC000020893191 519914695 /nfs/dbraw/zinc/91/46/95/519914695.db2.gz 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Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020598863 524450883 /nfs/dbraw/zinc/45/08/83/524450883.db2.gz WNPDYHQCAKTRDG-FQEVSTJZSA-N 1 0 373.928 4.028 50 0 FIAARO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452398 526054121 /nfs/dbraw/zinc/05/41/21/526054121.db2.gz GPIBGGQWYNAGIK-QRWLVFNGSA-N 1 0 367.518 4.114 50 0 FIAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccccc3OC(C)C)C2)c1 ZINC000089890939 526158677 /nfs/dbraw/zinc/15/86/77/526158677.db2.gz CJLYVYQTDHOUIX-SFHVURJKSA-N 1 0 354.494 4.099 50 0 FIAARO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000089800378 526604668 /nfs/dbraw/zinc/60/46/68/526604668.db2.gz QNYAUIHIQVATKF-PKOBYXMFSA-N 1 0 372.490 4.007 50 0 FIAARO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000020599346 526609158 /nfs/dbraw/zinc/60/91/58/526609158.db2.gz ZDJHIXMWGGZRIT-IBGZPJMESA-N 1 0 370.924 4.301 50 0 FIAARO O=C(CCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCCCC1 ZINC000020624868 526635889 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Cc1csc2nc(C[N@@H+](C)[C@@H](C)c3cc4ccccc4o3)cc(=O)n12 ZINC000032754482 570794221 /nfs/dbraw/zinc/79/42/21/570794221.db2.gz IEBLSPSUYJJGNX-ZDUSSCGKSA-N 1 0 353.447 4.004 50 0 FIAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1cccc(OC)c1 ZINC000004513528 570810892 /nfs/dbraw/zinc/81/08/92/570810892.db2.gz RBQHJLHMMYQIOA-NRFANRHFSA-N 1 0 358.526 4.164 50 0 FIAARO CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCC[C@H]2CCc2ccccc2)c1 ZINC000165179332 570818233 /nfs/dbraw/zinc/81/82/33/570818233.db2.gz ZAMHNOMJPXZDFV-GMAHTHKFSA-N 1 0 364.533 4.322 50 0 FIAARO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032865786 570824976 /nfs/dbraw/zinc/82/49/76/570824976.db2.gz AQAUEDMYXMDINT-KRWDZBQOSA-N 1 0 369.484 4.193 50 0 FIAARO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879765 570834206 /nfs/dbraw/zinc/83/42/06/570834206.db2.gz SDVRABMTWWLJPY-QGZVFWFLSA-N 1 0 373.500 4.325 50 0 FIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000103940492 570853457 /nfs/dbraw/zinc/85/34/57/570853457.db2.gz WKAOWMZUJYSYOS-GCJKJVERSA-N 1 0 366.505 4.408 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000032923768 570862842 /nfs/dbraw/zinc/86/28/42/570862842.db2.gz LIEVSOGFYITJSJ-UHFFFAOYSA-N 1 0 364.898 4.261 50 0 FIAARO OC1(c2ccccc2)CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000185640724 570868057 /nfs/dbraw/zinc/86/80/57/570868057.db2.gz IICLVMWXBWOTRT-UHFFFAOYSA-N 1 0 367.880 4.009 50 0 FIAARO C[N@H+](Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)c1)C1CCCCC1 ZINC000048063486 570934180 /nfs/dbraw/zinc/93/41/80/570934180.db2.gz LCLHDQHACNCOLB-UHFFFAOYSA-N 1 0 374.488 4.263 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)C(F)(F)c1ccccc1)c1ccsc1 ZINC000048333362 570946904 /nfs/dbraw/zinc/94/69/04/570946904.db2.gz HDNYPTBPOICBCU-INIZCTEOSA-N 1 0 352.450 4.039 50 0 FIAARO COc1ccc(CC[C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000012383428 570947028 /nfs/dbraw/zinc/94/70/28/570947028.db2.gz BZEHPSXJDGIMCW-IBGZPJMESA-N 1 0 352.522 4.271 50 0 FIAARO C[NH+]1CCN([C@H]2Cc3ccc(O)cc3Sc3ccc(Cl)cc32)CC1 ZINC000022859654 570951538 /nfs/dbraw/zinc/95/15/38/570951538.db2.gz HDUCYHDSWYYLFG-KRWDZBQOSA-N 1 0 360.910 4.041 50 0 FIAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)c(Cl)c2)C1 ZINC000022929090 570953251 /nfs/dbraw/zinc/95/32/51/570953251.db2.gz MYJIJJSZGSSCMX-LJQANCHMSA-N 1 0 358.913 4.185 50 0 FIAARO CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC)c1ccccc1 ZINC000023182556 570958351 /nfs/dbraw/zinc/95/83/51/570958351.db2.gz XPRRJJDXSXLYTE-YADHBBJMSA-N 1 0 368.521 4.388 50 0 FIAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](C/C=C/c3ccco3)C2)o1 ZINC000023251188 570961029 /nfs/dbraw/zinc/96/10/29/570961029.db2.gz CBRZDSQACKMJGU-HNSSHINMSA-N 1 0 356.466 4.003 50 0 FIAARO CCOc1cccc(C[NH2+]CCc2ccc(OC)cc2)c1OC(F)F ZINC000023409449 570963341 /nfs/dbraw/zinc/96/33/41/570963341.db2.gz NMVUUHXGDDDGBR-UHFFFAOYSA-N 1 0 351.393 4.028 50 0 FIAARO O=C(Cc1cccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027582257 571014430 /nfs/dbraw/zinc/01/44/30/571014430.db2.gz GEKXVCFBODHPLO-FQEVSTJZSA-N 1 0 364.514 4.397 50 0 FIAARO CC(C)c1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582181 571014529 /nfs/dbraw/zinc/01/45/29/571014529.db2.gz SOGCWFBPDNWQLI-LJQANCHMSA-N 1 0 372.534 4.204 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662561 571017271 /nfs/dbraw/zinc/01/72/71/571017271.db2.gz IWFGECMEAXWAAS-GOSISDBHSA-N 1 0 372.534 4.169 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1C ZINC000027664234 571018151 /nfs/dbraw/zinc/01/81/51/571018151.db2.gz ARXCUYVAEZHGGX-IBGZPJMESA-N 1 0 372.534 4.087 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027989293 571024998 /nfs/dbraw/zinc/02/49/98/571024998.db2.gz MPFBFMYFANYXDX-OAQYLSRUSA-N 1 0 354.469 4.481 50 0 FIAARO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000028290697 571030054 /nfs/dbraw/zinc/03/00/54/571030054.db2.gz ZEXRZWRPIJQSHV-LJQANCHMSA-N 1 0 350.462 4.391 50 0 FIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000028925135 571035634 /nfs/dbraw/zinc/03/56/34/571035634.db2.gz YDKJNOAACQZTOK-CYBMUJFWSA-N 1 0 374.868 4.311 50 0 FIAARO C[N@H+](CC(=O)Nc1ccccc1Br)[C@@H]1CCc2ccccc21 ZINC000029483375 571040424 /nfs/dbraw/zinc/04/04/24/571040424.db2.gz YLFLWYLSRKUXAF-QGZVFWFLSA-N 1 0 359.267 4.007 50 0 FIAARO COc1cc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000038478226 571043449 /nfs/dbraw/zinc/04/34/49/571043449.db2.gz BMDCJUWNAMQNNG-UHFFFAOYSA-N 1 0 369.383 4.064 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1cccc(F)c1 ZINC000029837939 571044020 /nfs/dbraw/zinc/04/40/20/571044020.db2.gz BRHDQWQVFYGOQY-NRFANRHFSA-N 1 0 362.448 4.110 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000038629336 571047616 /nfs/dbraw/zinc/04/76/16/571047616.db2.gz IXJUTVBEAZDPJW-ZDUSSCGKSA-N 1 0 357.401 4.191 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000038677329 571048803 /nfs/dbraw/zinc/04/88/03/571048803.db2.gz MFUCKUWUDDKTBB-INIZCTEOSA-N 1 0 351.372 4.130 50 0 FIAARO CCCOc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1 ZINC000008613224 571052807 /nfs/dbraw/zinc/05/28/07/571052807.db2.gz CUFPPKQGAUNEED-HXUWFJFHSA-N 1 0 358.526 4.346 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000072309360 571067857 /nfs/dbraw/zinc/06/78/57/571067857.db2.gz UTYGFBHIRGWICE-OAHLLOKOSA-N 1 0 371.333 4.407 50 0 FIAARO O=C(COc1ccccc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960716 571067894 /nfs/dbraw/zinc/06/78/94/571067894.db2.gz QGCKSMXSLGFFKJ-UHFFFAOYSA-N 1 0 371.440 4.366 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000040067070 571070931 /nfs/dbraw/zinc/07/09/31/571070931.db2.gz BLOAWBJDLRBEDT-ROUUACIJSA-N 1 0 361.869 4.228 50 0 FIAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004725581 571072434 /nfs/dbraw/zinc/07/24/34/571072434.db2.gz FFHXVHHHMNLQSV-SFHVURJKSA-N 1 0 366.505 4.175 50 0 FIAARO C[C@@H]([NH2+]C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005073769 571072774 /nfs/dbraw/zinc/07/27/74/571072774.db2.gz ZBVOHBSEOKWMAV-AFPPVCGUSA-N 1 0 357.538 4.321 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000008924887 571074712 /nfs/dbraw/zinc/07/47/12/571074712.db2.gz ZNQDDYNWXSTWTF-GOSISDBHSA-N 1 0 352.409 4.118 50 0 FIAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2cccs2)cc1 ZINC000036096672 571079571 /nfs/dbraw/zinc/07/95/71/571079571.db2.gz OEONEMYCHATEDT-KRWDZBQOSA-N 1 0 363.523 4.045 50 0 FIAARO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000040139320 571083783 /nfs/dbraw/zinc/08/37/83/571083783.db2.gz IPCIYKAWWAXOQK-FQEVSTJZSA-N 1 0 370.493 4.240 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1[nH]c2ccccc2c1Cl ZINC000040143280 571084895 /nfs/dbraw/zinc/08/48/95/571084895.db2.gz PYDLQAVXPLVEDC-UHFFFAOYSA-N 1 0 367.880 4.216 50 0 FIAARO Cc1onc(-c2ccccc2)c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000040154761 571087302 /nfs/dbraw/zinc/08/73/02/571087302.db2.gz RVGDNIJHGKYOKT-IAGOWNOFSA-N 1 0 369.509 4.138 50 0 FIAARO O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000084594846 571091413 /nfs/dbraw/zinc/09/14/13/571091413.db2.gz GTWUAMREJCWSHX-LJQANCHMSA-N 1 0 370.399 4.297 50 0 FIAARO O=C(Nc1ccc(Br)cc1F)c1ccc(C[NH+]2CCCC2)o1 ZINC000027984126 571093539 /nfs/dbraw/zinc/09/35/39/571093539.db2.gz OAJDZPLNXINIAV-UHFFFAOYSA-N 1 0 367.218 4.029 50 0 FIAARO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062845 571094672 /nfs/dbraw/zinc/09/46/72/571094672.db2.gz ZPUIJTOCKZNDRU-UHFFFAOYSA-N 1 0 352.478 4.325 50 0 FIAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000012422054 571098332 /nfs/dbraw/zinc/09/83/32/571098332.db2.gz WDXBFLWWNCFYBQ-SWXIYASGSA-N 1 0 351.575 4.194 50 0 FIAARO CCc1cc2c(ncn(CC[C@@H]3CCCC[N@@H+]3C3CCCC3)c2=O)s1 ZINC000043125155 571099635 /nfs/dbraw/zinc/09/96/35/571099635.db2.gz ASKOIJSWVDMLIS-INIZCTEOSA-N 1 0 359.539 4.208 50 0 FIAARO CCOc1cccc(-c2cccc(C(=O)N3CC([NH+]4CCCCC4)C3)c2)c1 ZINC000426640546 571104833 /nfs/dbraw/zinc/10/48/33/571104833.db2.gz SPNQJOYGMBCYCY-UHFFFAOYSA-N 1 0 364.489 4.063 50 0 FIAARO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000033026534 571108813 /nfs/dbraw/zinc/10/88/13/571108813.db2.gz STWWCCUZLUPTTK-IUODEOHRSA-N 1 0 368.955 4.301 50 0 FIAARO c1ccc(C(c2ccccc2)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000244899974 571120029 /nfs/dbraw/zinc/12/00/29/571120029.db2.gz ZTRUTDROCGPOCI-UHFFFAOYSA-N 1 0 352.547 4.289 50 0 FIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc2cccnc21 ZINC000010022755 571122313 /nfs/dbraw/zinc/12/23/13/571122313.db2.gz YGQSRXLYKXIHID-UHFFFAOYSA-N 1 0 351.494 4.153 50 0 FIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1nc2ccccc2s1 ZINC000010283376 571124929 /nfs/dbraw/zinc/12/49/29/571124929.db2.gz PMDIBTDLABUAQW-UHFFFAOYSA-N 1 0 368.506 4.460 50 0 FIAARO Cc1cn2c(nc(C[N@@H+](Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000033068945 571144865 /nfs/dbraw/zinc/14/48/65/571144865.db2.gz BVFOUQQHDDRDDN-UHFFFAOYSA-N 1 0 355.507 4.031 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OC)cc3OC)n2C)cc1 ZINC000004678735 571158606 /nfs/dbraw/zinc/15/86/06/571158606.db2.gz PZBYBVJICGCXKT-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO CCOC(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C[NH2+]C(C)C ZINC000075284291 571160006 /nfs/dbraw/zinc/16/00/06/571160006.db2.gz LZLGLXRZWPTOIL-UHFFFAOYSA-N 1 0 353.418 4.480 50 0 FIAARO O=C(CC[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1)NC1CC1 ZINC000072125409 571170396 /nfs/dbraw/zinc/17/03/96/571170396.db2.gz VWNKSDCJRUOCJV-HNNXBMFYSA-N 1 0 368.443 4.019 50 0 FIAARO COc1ccccc1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072128364 571170673 /nfs/dbraw/zinc/17/06/73/571170673.db2.gz WQRALQNSEIMYCB-UHFFFAOYSA-N 1 0 365.395 4.198 50 0 FIAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)OC1=O ZINC000072128145 571170707 /nfs/dbraw/zinc/17/07/07/571170707.db2.gz PPEGSESADBODMJ-HXUWFJFHSA-N 1 0 374.868 4.407 50 0 FIAARO CC1=C(c2ccccc2)[N+](=O)[C@](C)(c2ccc(Br)cc2)N1O ZINC000035475834 571171244 /nfs/dbraw/zinc/17/12/44/571171244.db2.gz WSWANZNJUDDIDM-QGZVFWFLSA-N 1 0 360.231 4.494 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1csc2ccccc21 ZINC000575621849 571172826 /nfs/dbraw/zinc/17/28/26/571172826.db2.gz WCTSPOLKYHKECN-QGZVFWFLSA-N 1 0 360.429 4.212 50 0 FIAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c(C)c1=O ZINC000072147503 571173670 /nfs/dbraw/zinc/17/36/70/571173670.db2.gz ZBHJECSGBOKHTI-KRWDZBQOSA-N 1 0 360.448 4.115 50 0 FIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)cc1Cn1cccn1 ZINC000072151521 571174291 /nfs/dbraw/zinc/17/42/91/571174291.db2.gz UIZVIGGJPBBNMA-OAQYLSRUSA-N 1 0 362.477 4.062 50 0 FIAARO Fc1cccc(CN2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)c1 ZINC000072154256 571174731 /nfs/dbraw/zinc/17/47/31/571174731.db2.gz JVRHFKBHNJGRJT-UHFFFAOYSA-N 1 0 361.464 4.206 50 0 FIAARO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc(-c2cccnc2)cc1 ZINC000072161229 571175667 /nfs/dbraw/zinc/17/56/67/571175667.db2.gz WIHZDKGUZDCKGW-UHFFFAOYSA-N 1 0 356.429 4.431 50 0 FIAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](OCc4ccccn4)C3)c(C)c2c1 ZINC000072162591 571176057 /nfs/dbraw/zinc/17/60/57/571176057.db2.gz ICZMXQHUYKXDDC-LJQANCHMSA-N 1 0 365.477 4.061 50 0 FIAARO COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3ccccn32)c1 ZINC000035622033 571183430 /nfs/dbraw/zinc/18/34/30/571183430.db2.gz QQSCAUCMJVTDFZ-UHFFFAOYSA-N 1 0 359.385 4.237 50 0 FIAARO CCCc1nc2cc(CCC(=O)Nc3ccc(OC)c(OC)c3)ccc2[nH]1 ZINC000075465601 571186251 /nfs/dbraw/zinc/18/62/51/571186251.db2.gz NRZULIGSPWHXGQ-UHFFFAOYSA-N 1 0 367.449 4.104 50 0 FIAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H]([NH3+])C1 ZINC000072433194 571196069 /nfs/dbraw/zinc/19/60/69/571196069.db2.gz VSYOXPBHSKAIKG-SFHVURJKSA-N 1 0 363.461 4.365 50 0 FIAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)cc1C ZINC000072454359 571197241 /nfs/dbraw/zinc/19/72/41/571197241.db2.gz JTEUMDHPMJWJCV-QHCPKHFHSA-N 1 0 361.489 4.095 50 0 FIAARO COc1ccccc1-c1nc2cc(Cl)ccc2cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000072474712 571198961 /nfs/dbraw/zinc/19/89/61/571198961.db2.gz RNNHEMZAMPFZPH-QGZVFWFLSA-N 1 0 368.864 4.130 50 0 FIAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)c1 ZINC000077342243 571208116 /nfs/dbraw/zinc/20/81/16/571208116.db2.gz SFCFRCGTZRNSFF-QGZVFWFLSA-N 1 0 364.445 4.348 50 0 FIAARO Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(Cl)cc3)C[C@H]2[NH+](C)C)cc1 ZINC000077470709 571212890 /nfs/dbraw/zinc/21/28/90/571212890.db2.gz HRFPMXDLLVHDCX-RBUKOAKNSA-N 1 0 357.885 4.210 50 0 FIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023105511 571215819 /nfs/dbraw/zinc/21/58/19/571215819.db2.gz AEBGUGDERPLZSQ-KRWDZBQOSA-N 1 0 368.502 4.333 50 0 FIAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(-c4ccc(F)c(Cl)c4)c3)C[C@H]12 ZINC000426383178 571217556 /nfs/dbraw/zinc/21/75/56/571217556.db2.gz WICXYVFVFHRCIL-NNZMDNLPSA-N 1 0 372.871 4.026 50 0 FIAARO COc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000004733912 571227070 /nfs/dbraw/zinc/22/70/70/571227070.db2.gz NEPJECFLGZRQSZ-UHFFFAOYSA-N 1 0 359.385 4.482 50 0 FIAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000426584717 571232408 /nfs/dbraw/zinc/23/24/08/571232408.db2.gz OBQRGOUUIGMHIT-LJQANCHMSA-N 1 0 374.431 4.060 50 0 FIAARO COc1ccc(Cl)cc1-c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000426649584 571234167 /nfs/dbraw/zinc/23/41/67/571234167.db2.gz JBHVBZBINVLWEL-GOSISDBHSA-N 1 0 372.896 4.230 50 0 FIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000023248923 571237487 /nfs/dbraw/zinc/23/74/87/571237487.db2.gz IQZVAIKLSVCURN-HSZRJFAPSA-N 1 0 374.532 4.172 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031107 571238969 /nfs/dbraw/zinc/23/89/69/571238969.db2.gz SFCCMILXRNEZJW-PBHICJAKSA-N 1 0 353.915 4.442 50 0 FIAARO C=C1[NH+]=C(NC)S[C@@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000006666337 571240156 /nfs/dbraw/zinc/24/01/56/571240156.db2.gz RUSWPASHMKPZFL-SFHVURJKSA-N 1 0 352.459 4.067 50 0 FIAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000036096209 571240754 /nfs/dbraw/zinc/24/07/54/571240754.db2.gz FXJSLHZJUMREAC-JOCHJYFZSA-N 1 0 371.521 4.121 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)c(C)c1 ZINC000036099001 571241410 /nfs/dbraw/zinc/24/14/10/571241410.db2.gz MUJPMCCZUMGXTN-HSZRJFAPSA-N 1 0 373.512 4.478 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102554 571241918 /nfs/dbraw/zinc/24/19/18/571241918.db2.gz WBSGWMQKCAMMQH-SFHVURJKSA-N 1 0 351.849 4.129 50 0 FIAARO CCOc1cc(C)c(C[N@@H+]2CC[C@@](O)(CCOC)[C@H](C)C2)cc1C(C)C ZINC000091713207 571242821 /nfs/dbraw/zinc/24/28/21/571242821.db2.gz HGKMNTVGILJASJ-XMSQKQJNSA-N 1 0 363.542 4.127 50 0 FIAARO COc1cc(C[N@@H+](Cc2ccc(C(C)(C)O)o2)CC(C)C)cc(OC)c1 ZINC000036203670 571244980 /nfs/dbraw/zinc/24/49/80/571244980.db2.gz HTODPNJAZMNJNV-UHFFFAOYSA-N 1 0 361.482 4.182 50 0 FIAARO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000006786226 571246369 /nfs/dbraw/zinc/24/63/69/571246369.db2.gz ZKWQIQKTIYVQMA-INIZCTEOSA-N 1 0 367.276 4.082 50 0 FIAARO CC[NH+](CC)CCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000036613618 571257960 /nfs/dbraw/zinc/25/79/60/571257960.db2.gz APWMMRXVCFZZPN-UHFFFAOYSA-N 1 0 352.404 4.225 50 0 FIAARO Cc1oc2c(c1C(=O)N1CCCCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291964 571260597 /nfs/dbraw/zinc/26/05/97/571260597.db2.gz UFUPNECAXPUEQE-UHFFFAOYSA-N 1 0 370.468 4.302 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000006819323 571272112 /nfs/dbraw/zinc/27/21/12/571272112.db2.gz COLANWJOGNIFBV-FQEVSTJZSA-N 1 0 351.494 4.255 50 0 FIAARO c1sc(COc2ccccc2)nc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836477 571272316 /nfs/dbraw/zinc/27/23/16/571272316.db2.gz LBCJPEVGUBULCZ-GOSISDBHSA-N 1 0 371.550 4.030 50 0 FIAARO CC(=O)O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCCC1 ZINC000016839764 571273086 /nfs/dbraw/zinc/27/30/86/571273086.db2.gz TWSPREIBPMBEHY-SFHVURJKSA-N 1 0 350.462 4.212 50 0 FIAARO O=C(CCCn1ccnc1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830384 571273599 /nfs/dbraw/zinc/27/35/99/571273599.db2.gz HOXCUSDIGXOKMK-QFIPXVFZSA-N 1 0 359.473 4.032 50 0 FIAARO CC[NH+](CC)CCc1ccc(NC(=O)Nc2cccc(COC)c2)cc1 ZINC000252492283 571281030 /nfs/dbraw/zinc/28/10/30/571281030.db2.gz MHHYDSPYFBQBFY-UHFFFAOYSA-N 1 0 355.482 4.361 50 0 FIAARO O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000252527564 571282645 /nfs/dbraw/zinc/28/26/45/571282645.db2.gz CWOXDMSJQXDQCF-FQEVSTJZSA-N 1 0 371.525 4.154 50 0 FIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037570636 571288115 /nfs/dbraw/zinc/28/81/15/571288115.db2.gz ILJHIRCMVZHPNI-UHFFFAOYSA-N 1 0 366.505 4.411 50 0 FIAARO CC(C)Oc1ccc(CCC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000253402709 571312134 /nfs/dbraw/zinc/31/21/34/571312134.db2.gz GPWULONUYSOOOR-RBBKRZOGSA-N 1 0 372.553 4.129 50 0 biogenic FIAARO Cc1nc(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)ccc1Cl ZINC000584887162 571314066 /nfs/dbraw/zinc/31/40/66/571314066.db2.gz GJOTXSGIVAOKQC-UHFFFAOYSA-N 1 0 371.912 4.316 50 0 FIAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc(OC)c(C)c3OC)c2c1 ZINC000002384505 571321066 /nfs/dbraw/zinc/32/10/66/571321066.db2.gz WFLRKQZQAYVLQJ-UHFFFAOYSA-N 1 0 368.477 4.143 50 0 FIAARO O=C(c1ccoc1)N1CCC([NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000095939191 571332352 /nfs/dbraw/zinc/33/23/52/571332352.db2.gz AJONNDVAELPNKI-UHFFFAOYSA-N 1 0 352.478 4.029 50 0 FIAARO O=C(OCC[NH+]1CCCCC1)c1ccc(COc2ccccc2Cl)o1 ZINC000002752233 571340840 /nfs/dbraw/zinc/34/08/40/571340840.db2.gz SRBPTPMMOWSCNI-UHFFFAOYSA-N 1 0 363.841 4.155 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccc(Cl)cc1 ZINC000003183876 571345303 /nfs/dbraw/zinc/34/53/03/571345303.db2.gz NFZGAICDILYENF-HKUYNNGSSA-N 1 0 355.869 4.488 50 0 FIAARO C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003206343 571345475 /nfs/dbraw/zinc/34/54/75/571345475.db2.gz XIAOEYNSXORRSX-SUMWQHHRSA-N 1 0 363.527 4.399 50 0 FIAARO CCOc1ccc2oc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c2c1 ZINC000003292602 571346807 /nfs/dbraw/zinc/34/68/07/571346807.db2.gz QLFFXUJVERRSIF-UHFFFAOYSA-N 1 0 358.482 4.179 50 0 FIAARO O[C@H](C[NH2+]CCc1ccc(Cl)cc1)COc1cc(Cl)ccc1Cl ZINC000003383825 571348793 /nfs/dbraw/zinc/34/87/93/571348793.db2.gz GXPXXNSHNFOFNY-OAHLLOKOSA-N 1 0 374.695 4.219 50 0 FIAARO O[C@H](C[NH2+][C@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl ZINC000003401903 571349087 /nfs/dbraw/zinc/34/90/87/571349087.db2.gz GQJNFXXFTZTBLZ-KDOFPFPSSA-N 1 0 366.288 4.400 50 0 FIAARO Cc1ccc(NC(=S)N(CC[NH+]2CCCCC2)Cc2ccco2)cc1 ZINC000003665462 571352099 /nfs/dbraw/zinc/35/20/99/571352099.db2.gz WHBWHZVPNAURHW-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO Cc1ccc2c(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)coc2c1C ZINC000008231970 571359981 /nfs/dbraw/zinc/35/99/81/571359981.db2.gz ONIAVTRWGIJILB-IBGZPJMESA-N 1 0 366.461 4.138 50 0 FIAARO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000182528256 1125545154 /nfs/dbraw/zinc/54/51/54/1125545154.db2.gz BTOUAABGFPHTMI-NRFANRHFSA-N 1 0 352.453 4.115 50 0 FIAARO CC(C)Oc1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193842680 1082272834 /nfs/dbraw/zinc/27/28/34/1082272834.db2.gz MFMWZCSXPINMFP-INIZCTEOSA-N 1 0 361.530 4.097 50 0 FIAARO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCc3c(OC)cccc32)cc1 ZINC000194842119 1083627986 /nfs/dbraw/zinc/62/79/86/1083627986.db2.gz NZRKNJUHNYJTGS-NRFANRHFSA-N 1 0 366.505 4.344 50 0 FIAARO CC(C)(C)[NH+]1CCC(NC(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000194285874 1084570949 /nfs/dbraw/zinc/57/09/49/1084570949.db2.gz WOONZCKXJIUZOH-UHFFFAOYSA-N 1 0 372.484 4.397 50 0 FIAARO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3ccccn3)s2)s1 ZINC000023544077 1084650264 /nfs/dbraw/zinc/65/02/64/1084650264.db2.gz XVJYIXNHGCECEK-OAHLLOKOSA-N 1 0 369.515 4.308 50 0 FIAARO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccc(C(F)F)nc1 ZINC000657924681 1087653673 /nfs/dbraw/zinc/65/36/73/1087653673.db2.gz DYRDVQLPBNYANJ-BMIGLBTASA-N 1 0 371.225 4.166 50 0 FIAARO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C\c3cccs3)cc2)CC1 ZINC000098004933 1088719218 /nfs/dbraw/zinc/71/92/18/1088719218.db2.gz CIVCHKXQEBNLJY-HJWRWDBZSA-N 1 0 354.519 4.310 50 0 FIAARO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000208079608 1089155441 /nfs/dbraw/zinc/15/54/41/1089155441.db2.gz OMQCUQQUDXGSQQ-XSLBHYSZSA-N 1 0 358.482 4.120 50 0 FIAARO CC1=C(CC[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)C(C)(C)CCC1 ZINC000019812951 1089595096 /nfs/dbraw/zinc/59/50/96/1089595096.db2.gz UGSYGUIWQKSEOJ-UHFFFAOYSA-N 1 0 355.526 4.033 50 0 FIAARO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)cc1 ZINC000585081235 1093020217 /nfs/dbraw/zinc/02/02/17/1093020217.db2.gz LVBHHQIYFYYEKS-QFIPXVFZSA-N 1 0 351.494 4.186 50 0 FIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2C ZINC000006911013 1113103605 /nfs/dbraw/zinc/10/36/05/1113103605.db2.gz IINVJJSTLHFZNN-IBGZPJMESA-N 1 0 355.526 4.180 50 0 FIAARO CC(C)(C)CC[N@@H+]1CCC[C@H](COc2ccccc2C(=O)N2CCCC2)C1 ZINC000169765182 1115681603 /nfs/dbraw/zinc/68/16/03/1115681603.db2.gz PLWJGUPGMRUWJP-IBGZPJMESA-N 1 0 372.553 4.450 50 0 FIAARO Cc1ncsc1C[NH+]1CCC2(C[N@@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257185790 1115686510 /nfs/dbraw/zinc/68/65/10/1115686510.db2.gz JUQPPMCGTRNBEG-FQEVSTJZSA-N 1 0 355.551 4.499 50 0 FIAARO CCc1ccccc1NC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCCCCC1 ZINC000257192581 1115718942 /nfs/dbraw/zinc/71/89/42/1115718942.db2.gz VCXRWOSUIPJHGF-KRWDZBQOSA-N 1 0 365.468 4.367 50 0 FIAARO O=C1CC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)CCN1CC1CC1 ZINC000012244756 1122200560 /nfs/dbraw/zinc/20/05/60/1122200560.db2.gz MLQVIOXFJQDJMG-UHFFFAOYSA-N 1 0 358.869 4.044 50 0 FIAARO COc1ccc(CC2(CO)CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc1 ZINC000011843713 1125221916 /nfs/dbraw/zinc/22/19/16/1125221916.db2.gz YPCBXMMSPVXIEG-UNMCSNQZSA-N 1 0 369.549 4.305 50 0 FIAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(SCc3ccco3)cc1)C2 ZINC000299791425 529831759 /nfs/dbraw/zinc/83/17/59/529831759.db2.gz FWMKVTFICHVCPL-DLBZAZTESA-N 1 0 371.506 4.272 50 0 FIAARO CN(CCOc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000299786618 529926755 /nfs/dbraw/zinc/92/67/55/529926755.db2.gz WVIXMAIOFFEVTF-UHFFFAOYSA-N 1 0 367.493 4.215 50 0 FIAARO COC(=O)CN1C(C)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000000655343 219310155 /nfs/dbraw/zinc/31/01/55/219310155.db2.gz ZWSKQYINLNUCMK-GOSISDBHSA-N 1 0 373.250 4.077 50 0 FIAARO Brc1ccc2c(c1)[C@H](C1=[NH+]CCN1)c1ccccc1CS2 ZINC000000717520 219316184 /nfs/dbraw/zinc/31/61/84/219316184.db2.gz JEXBWNOUCUFHHS-MRXNPFEDSA-N 1 0 359.292 4.188 50 0 FIAARO CC(C)[NH2+]C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000759143 219319162 /nfs/dbraw/zinc/31/91/62/219319162.db2.gz KOZMMZGWHLFBOI-AWEZNQCLSA-N 1 0 351.277 4.460 50 0 FIAARO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000001016845 219353878 /nfs/dbraw/zinc/35/38/78/219353878.db2.gz KSRBQPSDKBLUCK-QFIPXVFZSA-N 1 0 361.489 4.077 50 0 FIAARO Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000007941766 219835130 /nfs/dbraw/zinc/83/51/30/219835130.db2.gz FHVJEIUXOMAVIO-UHFFFAOYSA-N 1 0 371.531 4.172 50 0 FIAARO O=C1CC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000299760520 223083766 /nfs/dbraw/zinc/08/37/66/223083766.db2.gz VKESZUKOVSPDDZ-CTNGQTDRSA-N 1 0 358.501 4.219 50 0 FIAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(C)(C)C)cc1 ZINC000009052169 219874340 /nfs/dbraw/zinc/87/43/40/219874340.db2.gz QCXBWTYVVACKDI-QFIPXVFZSA-N 1 0 363.505 4.479 50 0 FIAARO O=C(NCC1(C[NH+]2CCCC2)CC1)c1ccccc1-c1ccc(F)cc1 ZINC000299783047 223095622 /nfs/dbraw/zinc/09/56/22/223095622.db2.gz WLSCECUPORLGFY-UHFFFAOYSA-N 1 0 352.453 4.099 50 0 FIAARO O=C(CCc1cccc(Cl)c1)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299800371 223104574 /nfs/dbraw/zinc/10/45/74/223104574.db2.gz XDJJEVQSUWUXGS-FQEVSTJZSA-N 1 0 370.924 4.301 50 0 FIAARO O=C(NCc1cccc(Cl)c1F)[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299793928 223100104 /nfs/dbraw/zinc/10/01/04/223100104.db2.gz JHHWEYBKFFQBBT-HNNXBMFYSA-N 1 0 352.881 4.140 50 0 FIAARO O=C(C1CCC1)N1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000012051032 219948589 /nfs/dbraw/zinc/94/85/89/219948589.db2.gz YDMFYJZMVRJDJM-IBGZPJMESA-N 1 0 360.929 4.201 50 0 FIAARO c1c2ccccc2sc1C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000012513062 220001964 /nfs/dbraw/zinc/00/19/64/220001964.db2.gz HFFQIHXAQZULRX-UHFFFAOYSA-N 1 0 374.513 4.142 50 0 FIAARO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)o1 ZINC000012592986 220011458 /nfs/dbraw/zinc/01/14/58/220011458.db2.gz BLEDDIGEEHWATF-QHCPKHFHSA-N 1 0 366.505 4.333 50 0 FIAARO Cc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)c(C)o2)o1 ZINC000012716664 220020820 /nfs/dbraw/zinc/02/08/20/220020820.db2.gz VQOBYJLOZJUUHN-QGZVFWFLSA-N 1 0 354.454 4.193 50 0 FIAARO COc1cc(O)ccc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012716035 220021251 /nfs/dbraw/zinc/02/12/51/220021251.db2.gz XTIURKARZQPRJR-MRXNPFEDSA-N 1 0 359.853 4.149 50 0 FIAARO C[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000012704816 220018070 /nfs/dbraw/zinc/01/80/70/220018070.db2.gz ATZGYSHQOCKDJI-FQEVSTJZSA-N 1 0 356.897 4.026 50 0 FIAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012708643 220019140 /nfs/dbraw/zinc/01/91/40/220019140.db2.gz LLURUPSNQVCREX-IBGZPJMESA-N 1 0 353.510 4.166 50 0 FIAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 ZINC000012708192 220020130 /nfs/dbraw/zinc/02/01/30/220020130.db2.gz FQEDBZAMPAYWJE-IBGZPJMESA-N 1 0 360.517 4.117 50 0 FIAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CO)(CCc2ccccc2)CC1 ZINC000012747567 220023962 /nfs/dbraw/zinc/02/39/62/220023962.db2.gz GCVLEBDECBRVJQ-FQEVSTJZSA-N 1 0 353.506 4.161 50 0 FIAARO COc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)cc1 ZINC000012760501 220025484 /nfs/dbraw/zinc/02/54/84/220025484.db2.gz OIIZQGFTYWRXTG-UHFFFAOYSA-N 1 0 353.491 4.017 50 0 FIAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F ZINC000012756172 220025669 /nfs/dbraw/zinc/02/56/69/220025669.db2.gz APRLTDSEYHVGKR-UHFFFAOYSA-N 1 0 374.843 4.303 50 0 FIAARO Cc1cccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000012911188 220041930 /nfs/dbraw/zinc/04/19/30/220041930.db2.gz XSMCLLIXKQAHEN-UHFFFAOYSA-N 1 0 366.461 4.107 50 0 FIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000013545303 220072465 /nfs/dbraw/zinc/07/24/65/220072465.db2.gz QMPYROSAVMWCBZ-UHFFFAOYSA-N 1 0 367.489 4.170 50 0 FIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000013596154 220076844 /nfs/dbraw/zinc/07/68/44/220076844.db2.gz QFPSJFLUYNQULW-QGZVFWFLSA-N 1 0 371.864 4.206 50 0 FIAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]C3CCCCCC3)c2)cc1 ZINC000013717684 220089785 /nfs/dbraw/zinc/08/97/85/220089785.db2.gz NTSCBPRZHIBADT-UHFFFAOYSA-N 1 0 363.465 4.267 50 0 FIAARO O=C(Cc1c(F)cccc1Cl)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000013987855 220099923 /nfs/dbraw/zinc/09/99/23/220099923.db2.gz NHCHMSDGSHJTFU-UHFFFAOYSA-N 1 0 366.908 4.327 50 0 FIAARO Cc1sc2ncnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)c2c1C ZINC000014085623 220105645 /nfs/dbraw/zinc/10/56/45/220105645.db2.gz IKWRZYAJPPVUAE-UHFFFAOYSA-N 1 0 370.497 4.160 50 0 FIAARO COc1ccc(C(=O)C2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000014094898 220106641 /nfs/dbraw/zinc/10/66/41/220106641.db2.gz BENAIZJXEWKMRY-UHFFFAOYSA-N 1 0 360.457 4.338 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccs1 ZINC000014197865 220115902 /nfs/dbraw/zinc/11/59/02/220115902.db2.gz LWPBHCWGZHOMLM-OAHLLOKOSA-N 1 0 364.470 4.268 50 0 FIAARO C[C@@H]1c2cccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c2O[C@H]1C ZINC000014252467 220121140 /nfs/dbraw/zinc/12/11/40/220121140.db2.gz CROBDJARIVZMTP-IRXDYDNUSA-N 1 0 364.489 4.097 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](C2CCC2)CC1 ZINC000015062361 220143070 /nfs/dbraw/zinc/14/30/70/220143070.db2.gz NTCMZYBZBTXDIP-UHFFFAOYSA-N 1 0 351.450 4.077 50 0 FIAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000014978288 220138540 /nfs/dbraw/zinc/13/85/40/220138540.db2.gz BQUMPROKJFYPNI-GOSISDBHSA-N 1 0 369.509 4.432 50 0 FIAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014995687 220140148 /nfs/dbraw/zinc/14/01/48/220140148.db2.gz ZSEZVSLQLGSHKS-FGZHOGPDSA-N 1 0 366.549 4.194 50 0 FIAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)c1 ZINC000015000654 220140431 /nfs/dbraw/zinc/14/04/31/220140431.db2.gz WXJKOZUKMBKFSV-LJQANCHMSA-N 1 0 372.896 4.020 50 0 FIAARO OCC1(Cc2ccccc2)CC[NH+](Cc2c[nH]nc2C2CCCCC2)CC1 ZINC000015068494 220143578 /nfs/dbraw/zinc/14/35/78/220143578.db2.gz BVYCHAUGSLXJFR-UHFFFAOYSA-N 1 0 367.537 4.275 50 0 FIAARO CCCn1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c(C)n1 ZINC000015074163 220145573 /nfs/dbraw/zinc/14/55/73/220145573.db2.gz ZDEZPGZDGNVYPS-UHFFFAOYSA-N 1 0 369.553 4.199 50 0 FIAARO CCC[NH+]1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000016604579 220187400 /nfs/dbraw/zinc/18/74/00/220187400.db2.gz VMMGFWCCDAMIAT-UHFFFAOYSA-N 1 0 354.878 4.298 50 0 FIAARO CCC[NH+]1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000016603667 220187541 /nfs/dbraw/zinc/18/75/41/220187541.db2.gz NPUYZPDDDYUWSF-UHFFFAOYSA-N 1 0 350.506 4.199 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000016753975 220193797 /nfs/dbraw/zinc/19/37/97/220193797.db2.gz OBUGSZQWOXUWIW-FQEVSTJZSA-N 1 0 372.896 4.306 50 0 biogenic FIAARO c1c(C[NH2+]Cc2ccccc2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000017309833 220212997 /nfs/dbraw/zinc/21/29/97/220212997.db2.gz QNRQTUMDMYQISP-UHFFFAOYSA-N 1 0 354.457 4.283 50 0 FIAARO CN(C)c1cc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc2n1 ZINC000018149282 220224613 /nfs/dbraw/zinc/22/46/13/220224613.db2.gz UYABOUCOLVSLGJ-UHFFFAOYSA-N 1 0 356.514 4.044 50 0 FIAARO Cc1ncc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)s1 ZINC000019145460 220237227 /nfs/dbraw/zinc/23/72/27/220237227.db2.gz OJYCLYVHDRUELJ-LJQANCHMSA-N 1 0 352.507 4.421 50 0 FIAARO c1cnn(-c2ccc(C[N@@H+]3CCc4onc(-c5ccccc5)c4C3)cc2)c1 ZINC000019792720 220296464 /nfs/dbraw/zinc/29/64/64/220296464.db2.gz JRSRQFLBDDZZKC-UHFFFAOYSA-N 1 0 356.429 4.086 50 0 FIAARO CCc1ccc(N2C(=O)C[C@@H]([NH+](CCC(C)C)CCC(C)C)C2=O)cc1 ZINC000020081793 220312245 /nfs/dbraw/zinc/31/22/45/220312245.db2.gz XDSCHLABBKFZIQ-HXUWFJFHSA-N 1 0 358.526 4.275 50 0 FIAARO O=C(Nc1ccc(O)cc1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020716786 220338561 /nfs/dbraw/zinc/33/85/61/220338561.db2.gz OTAQEGDRFDUSRT-UHFFFAOYSA-N 1 0 358.441 4.052 50 0 FIAARO CN1CCc2c(sc3c2C[NH2+][C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000020865061 220342984 /nfs/dbraw/zinc/34/29/84/220342984.db2.gz OXWWUZSLGXMFTD-IBGZPJMESA-N 1 0 369.921 4.373 50 0 FIAARO CCCC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868523 220343018 /nfs/dbraw/zinc/34/30/18/220343018.db2.gz IQLMCZGEEIPFOI-ZEQRLZLVSA-N 1 0 367.533 4.489 50 0 FIAARO Cc1cc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc(C)c1O ZINC000020911098 220346286 /nfs/dbraw/zinc/34/62/86/220346286.db2.gz YDQRXALFMUPQGL-JOCHJYFZSA-N 1 0 350.506 4.032 50 0 FIAARO Cc1cc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc(C)c1O ZINC000020911104 220346474 /nfs/dbraw/zinc/34/64/74/220346474.db2.gz YDQRXALFMUPQGL-QFIPXVFZSA-N 1 0 350.506 4.032 50 0 FIAARO CCCC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170221 220354634 /nfs/dbraw/zinc/35/46/34/220354634.db2.gz CCPOVOVGQICJJL-XZOQPEGZSA-N 1 0 371.496 4.320 50 0 FIAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718127 220364663 /nfs/dbraw/zinc/36/46/63/220364663.db2.gz BVTFHAOORXQYOQ-ROUUACIJSA-N 1 0 357.542 4.471 50 0 FIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1 ZINC000021719917 220365242 /nfs/dbraw/zinc/36/52/42/220365242.db2.gz NEACLOPWFXGAKA-GOSISDBHSA-N 1 0 352.438 4.027 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000021911996 220371089 /nfs/dbraw/zinc/37/10/89/220371089.db2.gz APQLREHTPAZSOL-QHCPKHFHSA-N 1 0 374.484 4.415 50 0 biogenic FIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2c3c(cccc31)CC2 ZINC000022277333 220381758 /nfs/dbraw/zinc/38/17/58/220381758.db2.gz QKFQPZWNJLMXAN-UHFFFAOYSA-N 1 0 370.496 4.464 50 0 FIAARO O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000022402689 220385733 /nfs/dbraw/zinc/38/57/33/220385733.db2.gz NFFNPYRELCVPPG-MZEUMTGBSA-N 1 0 358.869 4.290 50 0 FIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000022455678 220387048 /nfs/dbraw/zinc/38/70/48/220387048.db2.gz LWVZGMZPSRJCMX-UHFFFAOYSA-N 1 0 365.290 4.152 50 0 FIAARO CC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000022620352 220392513 /nfs/dbraw/zinc/39/25/13/220392513.db2.gz WDMSZBJXFVEZBV-FCHUYYIVSA-N 1 0 366.505 4.142 50 0 FIAARO CC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000022620359 220393133 /nfs/dbraw/zinc/39/31/33/220393133.db2.gz WDMSZBJXFVEZBV-VXKWHMMOSA-N 1 0 366.505 4.142 50 0 FIAARO CCc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(C)s2)[NH+](C)C)cc1 ZINC000022684007 220393632 /nfs/dbraw/zinc/39/36/32/220393632.db2.gz IQWRGFXGXFBPAX-SFHVURJKSA-N 1 0 372.534 4.001 50 0 FIAARO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697042 220395843 /nfs/dbraw/zinc/39/58/43/220395843.db2.gz APXSMXSMQKGLTB-HXUWFJFHSA-N 1 0 374.912 4.357 50 0 FIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022787598 220398145 /nfs/dbraw/zinc/39/81/45/220398145.db2.gz CXOWQXAKORYSFI-JOCHJYFZSA-N 1 0 366.484 4.021 50 0 FIAARO CC(C)c1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c2ccccc2n1 ZINC000025813478 220498866 /nfs/dbraw/zinc/49/88/66/220498866.db2.gz NSOYXZVTAGRAMP-HXUWFJFHSA-N 1 0 367.518 4.452 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027582327 220538866 /nfs/dbraw/zinc/53/88/66/220538866.db2.gz ZESXRFYKIZGJKI-KRWDZBQOSA-N 1 0 358.507 4.104 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1cccc(F)c1 ZINC000029837942 220613947 /nfs/dbraw/zinc/61/39/47/220613947.db2.gz BRHDQWQVFYGOQY-OAQYLSRUSA-N 1 0 362.448 4.110 50 0 FIAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034683123 220758701 /nfs/dbraw/zinc/75/87/01/220758701.db2.gz UEZOGIVLLNFIII-UHFFFAOYSA-N 1 0 356.466 4.055 50 0 FIAARO Cc1ccc(C)c(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)c1 ZINC000036103968 220804501 /nfs/dbraw/zinc/80/45/01/220804501.db2.gz UQXPXTYASSLXRY-QHCPKHFHSA-N 1 0 373.512 4.478 50 0 FIAARO CC(C)[C@H](CNC(=O)c1ccccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000040090761 220880019 /nfs/dbraw/zinc/88/00/19/220880019.db2.gz JLHFXBPYTRUOCR-KRWDZBQOSA-N 1 0 356.432 4.192 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCc2ccco2)C1 ZINC000048343381 221009097 /nfs/dbraw/zinc/00/90/97/221009097.db2.gz WESOEMVVYREPPO-ROUUACIJSA-N 1 0 354.494 4.007 50 0 FIAARO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048264377 221003936 /nfs/dbraw/zinc/00/39/36/221003936.db2.gz GPIBGGQWYNAGIK-FOIQADDNSA-N 1 0 367.518 4.114 50 0 FIAARO COc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1Cc1ccccc1 ZINC000048263984 221003980 /nfs/dbraw/zinc/00/39/80/221003980.db2.gz MPSNGUODYRHWEM-UHFFFAOYSA-N 1 0 352.478 4.101 50 0 FIAARO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2Cl)cc1F ZINC000052710478 221039385 /nfs/dbraw/zinc/03/93/85/221039385.db2.gz AUVDOYHXLWKCSV-NWDGAFQWSA-N 1 0 350.821 4.166 50 0 FIAARO Cc1cc2nc(N3CCC[N@H+](Cc4ccsc4)CC3)nc(C)c2cc1C ZINC000055090066 221058529 /nfs/dbraw/zinc/05/85/29/221058529.db2.gz FZZMKQNTUNNZJD-UHFFFAOYSA-N 1 0 366.534 4.329 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000055182472 221061587 /nfs/dbraw/zinc/06/15/87/221061587.db2.gz JTOWPYMSICCBIS-UHFFFAOYSA-N 1 0 357.519 4.445 50 0 FIAARO C[N@H+](CCCSc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055227769 221062865 /nfs/dbraw/zinc/06/28/65/221062865.db2.gz MASPXXXNTAOPBK-UHFFFAOYSA-N 1 0 356.466 4.281 50 0 FIAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000056851814 221082196 /nfs/dbraw/zinc/08/21/96/221082196.db2.gz FUJRHYVIMWWOQB-CHWSQXEVSA-N 1 0 366.383 4.392 50 0 FIAARO CC[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000057435038 221088864 /nfs/dbraw/zinc/08/88/64/221088864.db2.gz KMQYZFNZEAHMNK-QGZVFWFLSA-N 1 0 373.294 4.079 50 0 FIAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000057965750 221094972 /nfs/dbraw/zinc/09/49/72/221094972.db2.gz DNPVEKBBYHXKRS-UHFFFAOYSA-N 1 0 363.408 4.108 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC000058150820 221099771 /nfs/dbraw/zinc/09/97/71/221099771.db2.gz BTFFEXHSZJUEDP-GOSISDBHSA-N 1 0 365.304 4.263 50 0 FIAARO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1F ZINC000058159356 221100394 /nfs/dbraw/zinc/10/03/94/221100394.db2.gz OHLSPYONVBTZHM-KBXCAEBGSA-N 1 0 356.466 4.348 50 0 FIAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@@H]1CCCCO1)CC2 ZINC000061760063 221135229 /nfs/dbraw/zinc/13/52/29/221135229.db2.gz IVBSQJXXVFTDNJ-KKSFZXQISA-N 1 0 373.518 4.282 50 0 FIAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000058245036 221110535 /nfs/dbraw/zinc/11/05/35/221110535.db2.gz ULJHJYNNDQQYPO-ROUUACIJSA-N 1 0 363.502 4.045 50 0 FIAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000062582231 221140899 /nfs/dbraw/zinc/14/08/99/221140899.db2.gz JFWFQNSGVIQAHO-APWZRJJASA-N 1 0 371.550 4.361 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1ccc(Sc2nncn2C)o1 ZINC000063846011 221144036 /nfs/dbraw/zinc/14/40/36/221144036.db2.gz DCUZWSDXJVRDSE-ZDUSSCGKSA-N 1 0 362.524 4.422 50 0 FIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590836 221148600 /nfs/dbraw/zinc/14/86/00/221148600.db2.gz TXHGOJXXPWRHDO-UHFFFAOYSA-N 1 0 355.869 4.069 50 0 FIAARO Cn1cc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)c2cc(Cl)ccc21 ZINC000064669746 221150157 /nfs/dbraw/zinc/15/01/57/221150157.db2.gz MTJHCIZJTGSICB-UHFFFAOYSA-N 1 0 373.928 4.103 50 0 FIAARO Cc1ccc(C[N@H+]2CC=C(C(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000064817979 221152841 /nfs/dbraw/zinc/15/28/41/221152841.db2.gz VSVZLHOIHHZWJD-UHFFFAOYSA-N 1 0 354.881 4.097 50 0 FIAARO CC(=O)c1cc(-c2c(-c3ccccc3)ncn2[C@H]2CCC[NH2+]C2)cs1 ZINC000065406151 221213154 /nfs/dbraw/zinc/21/31/54/221213154.db2.gz SZNFYNWHUWTHJG-KRWDZBQOSA-N 1 0 351.475 4.406 50 0 FIAARO COc1cccc(-c2[nH]cnc2-c2ccccc2)c1OCCC[NH+](C)C ZINC000065408546 221214570 /nfs/dbraw/zinc/21/45/70/221214570.db2.gz LAUNHUJMTWRJQU-UHFFFAOYSA-N 1 0 351.450 4.083 50 0 FIAARO Cc1cc2oc(=O)cc(C[NH2+][C@H](Cn3cccn3)c3ccccc3)c2cc1C ZINC000065408664 221216244 /nfs/dbraw/zinc/21/62/44/221216244.db2.gz CAOIKQFXVMJGBJ-OAQYLSRUSA-N 1 0 373.456 4.137 50 0 FIAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(C)c3ncccc23)C[C@H]1O ZINC000065423349 221217354 /nfs/dbraw/zinc/21/73/54/221217354.db2.gz VQJKLUXPDORLGQ-RTBURBONSA-N 1 0 352.503 4.264 50 0 FIAARO Clc1cnccc1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065451890 221220422 /nfs/dbraw/zinc/22/04/22/221220422.db2.gz BVLHDQPSMGFZLC-QGZVFWFLSA-N 1 0 350.853 4.182 50 0 FIAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065554356 221233631 /nfs/dbraw/zinc/23/36/31/221233631.db2.gz ROCKRECNTRVANF-TYPHKJRUSA-N 1 0 357.519 4.340 50 0 FIAARO O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000065488800 221223918 /nfs/dbraw/zinc/22/39/18/221223918.db2.gz USCJPAXDOSNTJG-LJQANCHMSA-N 1 0 370.880 4.189 50 0 FIAARO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000065592958 221234664 /nfs/dbraw/zinc/23/46/64/221234664.db2.gz XDGQOFIFDPOALB-CYBMUJFWSA-N 1 0 373.324 4.141 50 0 FIAARO CC(C)n1ccnc1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000067655071 221266843 /nfs/dbraw/zinc/26/68/43/221266843.db2.gz BQTZOUKZRWNSEU-KRWDZBQOSA-N 1 0 367.472 4.373 50 0 FIAARO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000067790729 221287660 /nfs/dbraw/zinc/28/76/60/221287660.db2.gz AEHNMZWHIWNSHE-MRXNPFEDSA-N 1 0 359.429 4.049 50 0 FIAARO Cc1c[nH]c(-c2c(-c3ccccc3)ncn2Cc2ccccc2C[NH+](C)C)n1 ZINC000067841826 221291854 /nfs/dbraw/zinc/29/18/54/221291854.db2.gz ZULGIJOZJSRPMP-UHFFFAOYSA-N 1 0 371.488 4.359 50 0 FIAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@H]3c3cccnc3)cc2c1 ZINC000067909126 221303750 /nfs/dbraw/zinc/30/37/50/221303750.db2.gz WKLIXWNDHUSVSY-NRFANRHFSA-N 1 0 363.461 4.049 50 0 FIAARO COc1cccc([C@H](CNC(=O)C2CCC(C(C)(C)C)CC2)[NH+](C)C)c1 ZINC000069691517 221327227 /nfs/dbraw/zinc/32/72/27/221327227.db2.gz PJZATMVCPOESPF-NLPFYKDJSA-N 1 0 360.542 4.267 50 0 FIAARO CC(C)[C@@H]1CN(Cc2cncn2C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071523731 221349942 /nfs/dbraw/zinc/34/99/42/221349942.db2.gz MAJAASZAENFQTR-QFIPXVFZSA-N 1 0 372.532 4.336 50 0 FIAARO c1cc2cc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)ccc2[nH]1 ZINC000071681345 221353767 /nfs/dbraw/zinc/35/37/67/221353767.db2.gz RXKSAMSENPLMCX-QPTUXGOLSA-N 1 0 357.501 4.230 50 0 FIAARO CO[C@@H](C[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 ZINC000071821860 221380494 /nfs/dbraw/zinc/38/04/94/221380494.db2.gz JDMMOYXAOWMHHU-IBGZPJMESA-N 1 0 355.869 4.311 50 0 FIAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)CC1 ZINC000071847911 221383061 /nfs/dbraw/zinc/38/30/61/221383061.db2.gz HBIVBXZRGKDDIS-KNQAVFIVSA-N 1 0 354.538 4.077 50 0 FIAARO OC(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000071769286 221373775 /nfs/dbraw/zinc/37/37/75/221373775.db2.gz MFBIEHOAYFFRSW-DEOSSOPVSA-N 1 0 357.497 4.487 50 0 FIAARO CCOC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000071769334 221374280 /nfs/dbraw/zinc/37/42/80/221374280.db2.gz VSEADWMCWJASJY-NRFANRHFSA-N 1 0 351.490 4.266 50 0 FIAARO C[NH2+]CCN(C)Cc1nc(-c2cccc(Oc3ccccc3)c2)oc1C ZINC000072425385 221514934 /nfs/dbraw/zinc/51/49/34/221514934.db2.gz JPDNZJCNJSHBBX-UHFFFAOYSA-N 1 0 351.450 4.094 50 0 FIAARO CCCc1cc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)nc(C)n1 ZINC000095524690 132214722 /nfs/dbraw/zinc/21/47/22/132214722.db2.gz PJTJLIIPQZXHQB-UHFFFAOYSA-N 1 0 358.917 4.150 50 0 FIAARO Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]cc3)C2=O)cc1C ZINC000102305302 132234864 /nfs/dbraw/zinc/23/48/64/132234864.db2.gz OPHJAMWKYMSGEX-STZFKDTASA-N 1 0 369.424 4.338 50 0 FIAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000000755615 132378298 /nfs/dbraw/zinc/37/82/98/132378298.db2.gz WZQRPGURDJPYCP-UHFFFAOYSA-N 1 0 364.411 4.426 50 0 FIAARO Clc1ccc(-c2ccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)o2)cc1 ZINC000071810444 136141277 /nfs/dbraw/zinc/14/12/77/136141277.db2.gz WBWBUDVKDGNGGP-QGZVFWFLSA-N 1 0 368.868 4.149 50 0 FIAARO Clc1ccccc1N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000023282431 136152617 /nfs/dbraw/zinc/15/26/17/136152617.db2.gz CZQOHKQWENRRMH-UHFFFAOYSA-N 1 0 369.940 4.127 50 0 FIAARO Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc1O ZINC000077485191 221634053 /nfs/dbraw/zinc/63/40/53/221634053.db2.gz OSYISJZABDEYLG-FQEVSTJZSA-N 1 0 352.478 4.130 50 0 FIAARO CCC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1[NH+](C)C ZINC000082115102 221701884 /nfs/dbraw/zinc/70/18/84/221701884.db2.gz RXOCMLROFDTYTG-IAQYHMDHSA-N 1 0 362.823 4.161 50 0 FIAARO c1ccc(COc2cccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)c2)cc1 ZINC000082120921 221704331 /nfs/dbraw/zinc/70/43/31/221704331.db2.gz GYWQJSASNWFJHR-OAQYLSRUSA-N 1 0 367.489 4.083 50 0 FIAARO CSc1cccc(CN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)c1 ZINC000095355650 221855577 /nfs/dbraw/zinc/85/55/77/221855577.db2.gz URTVSVAXMODDJR-IBGZPJMESA-N 1 0 354.519 4.148 50 0 FIAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1cccc(-c2cccc(OC)c2)c1 ZINC000096141194 222045681 /nfs/dbraw/zinc/04/56/81/222045681.db2.gz GESJPBMIDNSTLA-KRWDZBQOSA-N 1 0 367.493 4.168 50 0 FIAARO O=C(/C=C\c1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096758980 222129160 /nfs/dbraw/zinc/12/91/60/222129160.db2.gz ODHYQXCGVWRVAB-CLFYSBASSA-N 1 0 360.910 4.196 50 0 FIAARO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2F)[C@H](C)C2CC2)cc1 ZINC000096981758 222147896 /nfs/dbraw/zinc/14/78/96/222147896.db2.gz MWUWQSWAMAJVHE-OAHLLOKOSA-N 1 0 356.441 4.074 50 0 FIAARO C[NH+]1CCN(Cc2ccc(-c3cccc(OCc4ccccc4)c3)nc2)CC1 ZINC000097819667 222215023 /nfs/dbraw/zinc/21/50/23/222215023.db2.gz DUBHOGKISDVJHH-UHFFFAOYSA-N 1 0 373.500 4.075 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 ZINC000104714533 222360838 /nfs/dbraw/zinc/36/08/38/222360838.db2.gz CQONTXQPANSLNX-UTKZUKDTSA-N 1 0 352.478 4.052 50 0 FIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000003448910 263329546 /nfs/dbraw/zinc/32/95/46/263329546.db2.gz HIGLSCZYVMEGTR-NRFANRHFSA-N 1 0 374.484 4.365 50 0 FIAARO O=C(NC[C@@H]1CCC2(CC[NH+](CC3CCCCC3)CC2)O1)c1ccccc1 ZINC000011970341 263369356 /nfs/dbraw/zinc/36/93/56/263369356.db2.gz QYDBQSKGYYLQOD-NRFANRHFSA-N 1 0 370.537 4.010 50 0 FIAARO O=C(Nc1cccc2ncccc21)NC1CC[NH+](Cc2cccs2)CC1 ZINC000299801397 534376066 /nfs/dbraw/zinc/37/60/66/534376066.db2.gz XYTADHDCMXLTPJ-UHFFFAOYSA-N 1 0 366.490 4.082 50 0 FIAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020573389 522572926 /nfs/dbraw/zinc/57/29/26/522572926.db2.gz ZDCBEIVNJXJLIB-KRWDZBQOSA-N 1 0 363.885 4.097 50 0 FIAARO COc1ccccc1/C=C/CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000248244023 524318894 /nfs/dbraw/zinc/31/88/94/524318894.db2.gz KQOOYNSRNGDGAQ-LQUGGUCVSA-N 1 0 354.538 4.437 50 0 FIAARO Cc1cccc(NC(=O)NCC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000020889668 524629732 /nfs/dbraw/zinc/62/97/32/524629732.db2.gz KZYMIVSHEZHBTD-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO c1cnn(Cc2ccccc2C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000020997606 526557447 /nfs/dbraw/zinc/55/74/47/526557447.db2.gz GZXQNSYCIOIMCE-QHCPKHFHSA-N 1 0 366.553 4.066 50 0 FIAARO c1nc([C@@H]2CCCO2)sc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000089800379 526604684 /nfs/dbraw/zinc/60/46/84/526604684.db2.gz QNYAUIHIQVATKF-HKUYNNGSSA-N 1 0 372.490 4.007 50 0 FIAARO Clc1ccc([C@@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)cc1 ZINC000020385276 526961024 /nfs/dbraw/zinc/96/10/24/526961024.db2.gz CXZVREGFEMZQGR-OAHLLOKOSA-N 1 0 354.841 4.165 50 0 FIAARO CCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057561409 534954291 /nfs/dbraw/zinc/95/42/91/534954291.db2.gz RYACMFYEFAHESJ-UHFFFAOYSA-N 1 0 351.494 4.138 50 0 FIAARO Cc1ccc(OCCCN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000215275395 568061426 /nfs/dbraw/zinc/06/14/26/568061426.db2.gz DKQSIFNVRWJHNN-NRFANRHFSA-N 1 0 366.505 4.003 50 0 FIAARO Cc1cc(-c2nn(C)c(Cl)c2CN2CC[C@H]2c2ccc(F)cc2)no1 ZINC000216531443 568127267 /nfs/dbraw/zinc/12/72/67/568127267.db2.gz NXECFYNQNSOPMP-INIZCTEOSA-N 1 0 360.820 4.123 50 0 FIAARO CC(C)c1ccc(C[N@H+](Cc2cc(=O)n3ccsc3n2)C2CC2)cc1 ZINC000007797589 568256541 /nfs/dbraw/zinc/25/65/41/568256541.db2.gz NHOWAFNYGBPVMT-UHFFFAOYSA-N 1 0 353.491 4.044 50 0 FIAARO CC(C)(C)C[N@@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000014958087 568259870 /nfs/dbraw/zinc/25/98/70/568259870.db2.gz DBSRRBNSWDLTFK-QHCPKHFHSA-N 1 0 369.505 4.214 50 0 FIAARO CCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033268851 568477072 /nfs/dbraw/zinc/47/70/72/568477072.db2.gz KHXMFIQJQOMYCX-UHFFFAOYSA-N 1 0 355.507 4.292 50 0 FIAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cccc3ccccc31)CC2 ZINC000095357369 570453449 /nfs/dbraw/zinc/45/34/49/570453449.db2.gz JRUBVNUZEPQLHW-QHCPKHFHSA-N 1 0 370.496 4.478 50 0 FIAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095372469 570456787 /nfs/dbraw/zinc/45/67/87/570456787.db2.gz VSSAXAMXDGPPCQ-AMGQUURNSA-N 1 0 364.518 4.281 50 0 FIAARO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095378350 570457817 /nfs/dbraw/zinc/45/78/17/570457817.db2.gz YBZMXCIMLZGOGM-AWEZNQCLSA-N 1 0 374.460 4.046 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H](c3nccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378806 570458290 /nfs/dbraw/zinc/45/82/90/570458290.db2.gz OHECHBVMPBYVGO-IBGZPJMESA-N 1 0 369.509 4.080 50 0 FIAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCc2ccccc2C1 ZINC000001179476 570489253 /nfs/dbraw/zinc/48/92/53/570489253.db2.gz NSLIKACYEHBJGV-UHFFFAOYSA-N 1 0 368.908 4.137 50 0 FIAARO CCCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034680504 570531196 /nfs/dbraw/zinc/53/11/96/570531196.db2.gz PROMFWUHHNHQGV-UHFFFAOYSA-N 1 0 351.494 4.188 50 0 FIAARO Cc1cccc([C@H]2C[C@@H](C(=O)NC3CC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711193 570532543 /nfs/dbraw/zinc/53/25/43/570532543.db2.gz KNEISNJTZDCOMU-VQTJNVASSA-N 1 0 366.480 4.018 50 0 FIAARO Cc1cccc([C@H]2C[C@H](C(=O)NC3CC3)C[N@H+](Cc3ccccc3F)C2)c1 ZINC000034711191 570532618 /nfs/dbraw/zinc/53/26/18/570532618.db2.gz KNEISNJTZDCOMU-PMACEKPBSA-N 1 0 366.480 4.018 50 0 FIAARO Cc1cccc([C@@H]2C[C@H](C(=O)NCC3CC3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034733575 570549735 /nfs/dbraw/zinc/54/97/35/570549735.db2.gz ZJSINPZQBKTXNZ-PKTZIBPZSA-N 1 0 362.517 4.127 50 0 FIAARO CCCC[NH2+]C[C@@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992281 570572839 /nfs/dbraw/zinc/57/28/39/570572839.db2.gz BPPZVGTWBJTIAC-UXHICEINSA-N 1 0 372.896 4.201 50 0 FIAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc2c(C)c1 ZINC000005121592 570587615 /nfs/dbraw/zinc/58/76/15/570587615.db2.gz UUBZTOCQNMEAKY-UHFFFAOYSA-N 1 0 359.520 4.183 50 0 FIAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)ccc2c1 ZINC000248080912 570596435 /nfs/dbraw/zinc/59/64/35/570596435.db2.gz VINFBPFYDDDKGD-KSZLIROESA-N 1 0 368.521 4.458 50 0 FIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000004676608 570600512 /nfs/dbraw/zinc/60/05/12/570600512.db2.gz ITIJJDJOKWSMDQ-FQEVSTJZSA-N 1 0 353.462 4.041 50 0 FIAARO CCOc1ccccc1N1CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000004981258 570615851 /nfs/dbraw/zinc/61/58/51/570615851.db2.gz BEGOJDQZBKPQOY-IBGZPJMESA-N 1 0 368.521 4.237 50 0 FIAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1Cl ZINC000005019676 570618376 /nfs/dbraw/zinc/61/83/76/570618376.db2.gz JACSZQORJLRLOR-KRWDZBQOSA-N 1 0 361.869 4.196 50 0 FIAARO O=C(CCc1ccsc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024317032 570631527 /nfs/dbraw/zinc/63/15/27/570631527.db2.gz NUFIOJGIMPWCJA-UHFFFAOYSA-N 1 0 364.514 4.178 50 0 FIAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000042340560 570638880 /nfs/dbraw/zinc/63/88/80/570638880.db2.gz NPVOLPQSGGFECB-GUYCJALGSA-N 1 0 350.915 4.393 50 0 FIAARO Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CC[NH+](C)CC2)cc1 ZINC000005498995 570663719 /nfs/dbraw/zinc/66/37/19/570663719.db2.gz KSSDCPABXIYBGP-OAQYLSRUSA-N 1 0 361.489 4.269 50 0 FIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c(OC)c1C ZINC000584904411 570664061 /nfs/dbraw/zinc/66/40/61/570664061.db2.gz JQFCOOTXXMFMNX-UNMCSNQZSA-N 1 0 372.553 4.241 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000002828251 570674719 /nfs/dbraw/zinc/67/47/19/570674719.db2.gz SMSGGUILIZIUDP-MRXNPFEDSA-N 1 0 356.897 4.429 50 0 FIAARO Cc1ccc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062522 570691405 /nfs/dbraw/zinc/69/14/05/570691405.db2.gz BLFOVVISMNTSHE-LJQANCHMSA-N 1 0 350.506 4.393 50 0 FIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](CCCSC)C3)ccc2c1 ZINC000011718526 570706117 /nfs/dbraw/zinc/70/61/17/570706117.db2.gz SBPUJDZDDBIYMF-LJQANCHMSA-N 1 0 357.519 4.496 50 0 FIAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1ccco1 ZINC000011815519 570707539 /nfs/dbraw/zinc/70/75/39/570707539.db2.gz UMVSMOBGICBWTA-UHFFFAOYSA-N 1 0 354.494 4.005 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cc(F)ccc2C)c1 ZINC000011839449 570708628 /nfs/dbraw/zinc/70/86/28/570708628.db2.gz IMMINYATICSFDH-NRFANRHFSA-N 1 0 354.469 4.113 50 0 FIAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000011821578 570708896 /nfs/dbraw/zinc/70/88/96/570708896.db2.gz YIJMJECDOZUKBN-IBGZPJMESA-N 1 0 350.441 4.210 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH+]3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000011838691 570708949 /nfs/dbraw/zinc/70/89/49/570708949.db2.gz SSZFCXOWXQPYIA-UHFFFAOYSA-N 1 0 361.489 4.113 50 0 FIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000011874614 570710943 /nfs/dbraw/zinc/71/09/43/570710943.db2.gz IZAOJCFQZIXUJE-SFHVURJKSA-N 1 0 373.589 4.079 50 0 FIAARO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000011938422 570712284 /nfs/dbraw/zinc/71/22/84/570712284.db2.gz SMBAVNPGIUKHQB-VMMLISQSSA-N 1 0 364.489 4.330 50 0 FIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)c1 ZINC000012052597 570715533 /nfs/dbraw/zinc/71/55/33/570715533.db2.gz BVXRSNLLHGLIRH-QHCPKHFHSA-N 1 0 351.490 4.015 50 0 FIAARO CC(C)c1nc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)cs1 ZINC000012072411 570716070 /nfs/dbraw/zinc/71/60/70/570716070.db2.gz YBLOKTHVBHBJHA-QGZVFWFLSA-N 1 0 357.523 4.003 50 0 FIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2F)oc1C ZINC000012111737 570718877 /nfs/dbraw/zinc/71/88/77/570718877.db2.gz KTEMDPXTUIRYNK-OAHLLOKOSA-N 1 0 362.445 4.189 50 0 FIAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)/C=C/c2cccs2)C1 ZINC000012208546 570727983 /nfs/dbraw/zinc/72/79/83/570727983.db2.gz YKJQUZYKIIOUOI-YVNCXZRQSA-N 1 0 368.546 4.174 50 0 FIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cccn3)c2)cnn1-c1ccccc1 ZINC000012299056 570733207 /nfs/dbraw/zinc/73/32/07/570733207.db2.gz MNCMULPKJGZYPP-QGZVFWFLSA-N 1 0 357.461 4.217 50 0 FIAARO CSc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000012305228 570734861 /nfs/dbraw/zinc/73/48/61/570734861.db2.gz XTYRLSQMFOFZCX-SFHVURJKSA-N 1 0 350.491 4.156 50 0 FIAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2ccncc2)CC1 ZINC000012307546 570735457 /nfs/dbraw/zinc/73/54/57/570735457.db2.gz AUVBCFMAZKEYOL-UHFFFAOYSA-N 1 0 372.896 4.123 50 0 FIAARO c1c2ccccc2oc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012319772 570736904 /nfs/dbraw/zinc/73/69/04/570736904.db2.gz DBZZQUOSYKKJKV-SFHVURJKSA-N 1 0 364.445 4.281 50 0 FIAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000012431215 570744334 /nfs/dbraw/zinc/74/43/34/570744334.db2.gz WKPNJIXECWVCDB-MRXNPFEDSA-N 1 0 356.495 4.353 50 0 FIAARO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)o1 ZINC000012438482 570745602 /nfs/dbraw/zinc/74/56/02/570745602.db2.gz RBXOCHJFWIIRCE-HSZRJFAPSA-N 1 0 366.505 4.333 50 0 FIAARO Cc1ccccc1-c1cccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000012591270 570752339 /nfs/dbraw/zinc/75/23/39/570752339.db2.gz VXVSDUVMKDUXEA-NRFANRHFSA-N 1 0 358.489 4.211 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccc(F)c1 ZINC000032729108 570783247 /nfs/dbraw/zinc/78/32/47/570783247.db2.gz AJKVBORJGPJCEO-INIZCTEOSA-N 1 0 360.429 4.212 50 0 FIAARO Cc1cc(C)cc(OCC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000032764844 570796186 /nfs/dbraw/zinc/79/61/86/570796186.db2.gz OPJZKDJBTUVYOE-UHFFFAOYSA-N 1 0 352.478 4.033 50 0 FIAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804146 570805261 /nfs/dbraw/zinc/80/52/61/570805261.db2.gz WEPCRBJQGWSVEC-KRWDZBQOSA-N 1 0 366.480 4.184 50 0 FIAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(F)cc2cccnc21 ZINC000032825210 570816667 /nfs/dbraw/zinc/81/66/67/570816667.db2.gz ULDAEDAZQBIKOJ-OAHLLOKOSA-N 1 0 361.424 4.148 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 ZINC000004886653 570915597 /nfs/dbraw/zinc/91/55/97/570915597.db2.gz HOJYIPSJFARYNJ-NRFANRHFSA-N 1 0 364.514 4.351 50 0 FIAARO c1cncc([C@H]2C[C@@H]2c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c1 ZINC000109570100 570926227 /nfs/dbraw/zinc/92/62/27/570926227.db2.gz RFQPRAKGHXRYIB-UXHICEINSA-N 1 0 360.461 4.389 50 0 FIAARO CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC)c1ccccc1 ZINC000023182552 570958250 /nfs/dbraw/zinc/95/82/50/570958250.db2.gz XPRRJJDXSXLYTE-FCHUYYIVSA-N 1 0 368.521 4.388 50 0 FIAARO Cc1ncc2c(c1-c1noc(-c3ccoc3)n1)CC[N@@H+](CCC(C)C)C2 ZINC000023191489 570959354 /nfs/dbraw/zinc/95/93/54/570959354.db2.gz XSXTYUNINONEOV-UHFFFAOYSA-N 1 0 352.438 4.104 50 0 FIAARO COc1cc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000023279972 570960975 /nfs/dbraw/zinc/96/09/75/570960975.db2.gz MOJKSRBWPQANHL-CYBMUJFWSA-N 1 0 353.384 4.443 50 0 FIAARO c1cnn(-c2cccc(C[N@@H+]3CCc4onc(-c5ccccc5)c4C3)c2)c1 ZINC000023339346 570961557 /nfs/dbraw/zinc/96/15/57/570961557.db2.gz QRKWFEFYJAHDDN-UHFFFAOYSA-N 1 0 356.429 4.086 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000024757791 570981507 /nfs/dbraw/zinc/98/15/07/570981507.db2.gz JZTHDLIFBQZNPF-GUYCJALGSA-N 1 0 358.869 4.261 50 0 FIAARO COc1ccc2cc([C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000024990021 570988306 /nfs/dbraw/zinc/98/83/06/570988306.db2.gz JBCRTGUZVWUNNV-OAHLLOKOSA-N 1 0 368.521 4.377 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331661 570994324 /nfs/dbraw/zinc/99/43/24/570994324.db2.gz KJIWDTACLCRKQK-SFHVURJKSA-N 1 0 373.909 4.291 50 0 FIAARO CSc1ccc(C)c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000025898874 571001634 /nfs/dbraw/zinc/00/16/34/571001634.db2.gz NLNSEFDAZJFOJX-UHFFFAOYSA-N 1 0 368.546 4.284 50 0 FIAARO CC(C)c1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582187 571014503 /nfs/dbraw/zinc/01/45/03/571014503.db2.gz SOGCWFBPDNWQLI-IBGZPJMESA-N 1 0 372.534 4.204 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027583067 571015148 /nfs/dbraw/zinc/01/51/48/571015148.db2.gz WROQKXBJICAENS-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)[NH+]1CCCC1 ZINC000028403347 571031649 /nfs/dbraw/zinc/03/16/49/571031649.db2.gz VOEARVVHDZFBKD-OAQYLSRUSA-N 1 0 366.505 4.215 50 0 FIAARO Cn1cnnc1C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000225419605 571034042 /nfs/dbraw/zinc/03/40/42/571034042.db2.gz UGMFDZZUXNAFME-UHFFFAOYSA-N 1 0 374.532 4.096 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000029953887 571045025 /nfs/dbraw/zinc/04/50/25/571045025.db2.gz VGEUNKUDVHRRFO-HXUWFJFHSA-N 1 0 367.880 4.229 50 0 FIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000008514517 571049404 /nfs/dbraw/zinc/04/94/04/571049404.db2.gz AAKYUMPRJLJPBR-HNNXBMFYSA-N 1 0 353.249 4.153 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2cc(Cl)sc2Cl)[NH+](C)C)cc1 ZINC000008777357 571061548 /nfs/dbraw/zinc/06/15/48/571061548.db2.gz KZMWPYLFOJTJLI-CYBMUJFWSA-N 1 0 373.305 4.096 50 0 FIAARO CCOc1ccc(NC(=O)c2ccc(SCC[NH+](CC)CC)nc2)cc1 ZINC000033115248 571062527 /nfs/dbraw/zinc/06/25/27/571062527.db2.gz RSSFVAIGVRWVSX-UHFFFAOYSA-N 1 0 373.522 4.167 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000040067072 571070990 /nfs/dbraw/zinc/07/09/90/571070990.db2.gz BLOAWBJDLRBEDT-MSOLQXFVSA-N 1 0 361.869 4.228 50 0 FIAARO Cc1cc(C)c(CNC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000455566453 571075394 /nfs/dbraw/zinc/07/53/94/571075394.db2.gz XPZIDIRYEHNJCZ-UHFFFAOYSA-N 1 0 355.457 4.002 50 0 FIAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000040161204 571089921 /nfs/dbraw/zinc/08/99/21/571089921.db2.gz JDHMXZAOLPAMAT-CABCVRRESA-N 1 0 362.429 4.246 50 0 FIAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccc(C(C)(C)C)cc1 ZINC000009052174 571094260 /nfs/dbraw/zinc/09/42/60/571094260.db2.gz QCXBWTYVVACKDI-JOCHJYFZSA-N 1 0 363.505 4.479 50 0 FIAARO Oc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043083320 571099608 /nfs/dbraw/zinc/09/96/08/571099608.db2.gz POGCYYHHZJWZFG-OAHLLOKOSA-N 1 0 369.415 4.440 50 0 FIAARO CC[NH+]1CCC(Nc2cc3c4c(cccc4C(=O)c4ccccc4-3)n2)CC1 ZINC000009184072 571100296 /nfs/dbraw/zinc/10/02/96/571100296.db2.gz GFCZHXWABSYMTJ-UHFFFAOYSA-N 1 0 357.457 4.342 50 0 FIAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1C ZINC000009218317 571101621 /nfs/dbraw/zinc/10/16/21/571101621.db2.gz VBERIVLYKLJVOF-HOCLYGCPSA-N 1 0 356.466 4.039 50 0 FIAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044933030 571104942 /nfs/dbraw/zinc/10/49/42/571104942.db2.gz RKHGVYHCABFHAI-JOCHJYFZSA-N 1 0 366.480 4.232 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccs1 ZINC000009471072 571110318 /nfs/dbraw/zinc/11/03/18/571110318.db2.gz LODLPABVAUAFDC-MRXNPFEDSA-N 1 0 357.523 4.418 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000010017947 571122274 /nfs/dbraw/zinc/12/22/74/571122274.db2.gz UWRBRSBRLUORDC-KRWDZBQOSA-N 1 0 350.384 4.047 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000252480417 571131350 /nfs/dbraw/zinc/13/13/50/571131350.db2.gz BZRVAJWVHWENFI-UHFFFAOYSA-N 1 0 369.440 4.320 50 0 FIAARO O=C(CCc1ccc(O)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000252487767 571132689 /nfs/dbraw/zinc/13/26/89/571132689.db2.gz IBIBZHFVAGLXOR-QFIPXVFZSA-N 1 0 366.505 4.058 50 0 FIAARO CCSc1ccccc1C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104012 571139726 /nfs/dbraw/zinc/13/97/26/571139726.db2.gz RVEOUXATSUIYJZ-UHFFFAOYSA-N 1 0 374.575 4.470 50 0 FIAARO CC[C@H](C(=O)NCC[NH+]1CCC(c2cccs2)CC1)c1ccccc1 ZINC000077103958 571139854 /nfs/dbraw/zinc/13/98/54/571139854.db2.gz UNIPNGZVBIQWNR-IBGZPJMESA-N 1 0 356.535 4.238 50 0 FIAARO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)sc2nc(C)cc(C)c12 ZINC000025385555 571145344 /nfs/dbraw/zinc/14/53/44/571145344.db2.gz KTENCZJAONZQCV-AWEZNQCLSA-N 1 0 373.547 4.316 50 0 FIAARO CCOC(=O)Nc1ccc2c(C[N@@H+]3C[C@H]4CCCCC[C@@H]43)cc(=O)oc2c1 ZINC000075109051 571155851 /nfs/dbraw/zinc/15/58/51/571155851.db2.gz UNEQKNUDZGYHBA-KDOFPFPSSA-N 1 0 370.449 4.126 50 0 FIAARO COc1ccccc1OCC[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000075119780 571156323 /nfs/dbraw/zinc/15/63/23/571156323.db2.gz HETNJQJAKXJRNN-UHFFFAOYSA-N 1 0 366.436 4.484 50 0 FIAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)cc1 ZINC000004678218 571158217 /nfs/dbraw/zinc/15/82/17/571158217.db2.gz TWHFPXIQIQCOFI-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO COc1cccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c1OC ZINC000004678716 571158487 /nfs/dbraw/zinc/15/84/87/571158487.db2.gz VRMZTYVRGBTLBD-UHFFFAOYSA-N 1 0 357.841 4.370 50 0 FIAARO Nc1nc(N)c2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000075260835 571158553 /nfs/dbraw/zinc/15/85/53/571158553.db2.gz YGNZMIALAGYXHG-UHFFFAOYSA-N 1 0 351.262 4.393 50 0 FIAARO Cc1ccccc1NC(=S)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000004683375 571159970 /nfs/dbraw/zinc/15/99/70/571159970.db2.gz UJFOSNOWWDWPIN-ZWKOTPCHSA-N 1 0 353.535 4.365 50 0 FIAARO CC[NH+](CC)CCCNC(=O)c1cc2occc2c(Nc2ccccc2)n1 ZINC000075351568 571162100 /nfs/dbraw/zinc/16/21/00/571162100.db2.gz KIGXAVXAVFRHBZ-UHFFFAOYSA-N 1 0 366.465 4.033 50 0 FIAARO CC[NH+](CC)CCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002460361 571163143 /nfs/dbraw/zinc/16/31/43/571163143.db2.gz HQLLPYXBPXDTCN-UHFFFAOYSA-N 1 0 353.491 4.035 50 0 FIAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1 ZINC000072145459 571173013 /nfs/dbraw/zinc/17/30/13/571173013.db2.gz QUFXCYKLJQPAAY-FQEVSTJZSA-N 1 0 370.924 4.487 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000575622522 571173208 /nfs/dbraw/zinc/17/32/08/571173208.db2.gz ZKKWGAQMJUDNQM-QGZVFWFLSA-N 1 0 371.868 4.188 50 0 FIAARO c1ccc(-c2nc3ncccn3c2C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000072168424 571177012 /nfs/dbraw/zinc/17/70/12/571177012.db2.gz HLFWGPBMGQSOMG-IBGZPJMESA-N 1 0 355.445 4.128 50 0 FIAARO Cc1cccc(C[NH+]2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000072172546 571177721 /nfs/dbraw/zinc/17/77/21/571177721.db2.gz LMYDVUJVJJHDFQ-UHFFFAOYSA-N 1 0 364.537 4.151 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)s1 ZINC000043971651 571178110 /nfs/dbraw/zinc/17/81/10/571178110.db2.gz NJTSVXQIZMRJLW-UHFFFAOYSA-N 1 0 354.928 4.105 50 0 FIAARO Cc1cc(C[NH+]2CCC(CNC(=O)Nc3ccccc3C)CC2)c(C)o1 ZINC000043972978 571178475 /nfs/dbraw/zinc/17/84/75/571178475.db2.gz RTCJVGCIPVVPHQ-UHFFFAOYSA-N 1 0 355.482 4.239 50 0 FIAARO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(Cl)nc2ccccc21 ZINC000060106923 571180042 /nfs/dbraw/zinc/18/00/42/571180042.db2.gz OHQRETGYTHWFBJ-AWEZNQCLSA-N 1 0 357.885 4.025 50 0 FIAARO CCCc1nc2cc(CCC(=O)NCc3ccccc3Cl)ccc2[nH]1 ZINC000075465611 571186107 /nfs/dbraw/zinc/18/61/07/571186107.db2.gz ZEYLTOFUMVKTTH-UHFFFAOYSA-N 1 0 355.869 4.418 50 0 FIAARO CCCc1nc2cc(CCC(=O)NCc3cccc(Cl)c3)ccc2[nH]1 ZINC000075465586 571186338 /nfs/dbraw/zinc/18/63/38/571186338.db2.gz OQOZUQVQGKABIA-UHFFFAOYSA-N 1 0 355.869 4.418 50 0 FIAARO Cc1ccc(C)c(-n2cc(CN3CC[C@H]([NH+](C)C)C3)c(-c3ccccc3)n2)c1 ZINC000072423739 571193884 /nfs/dbraw/zinc/19/38/84/571193884.db2.gz OFSVZUCOQZTRMJ-QFIPXVFZSA-N 1 0 374.532 4.292 50 0 FIAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CC[C@H](O)C2)CCC4)c1 ZINC000072468420 571198422 /nfs/dbraw/zinc/19/84/22/571198422.db2.gz GGGZDRPLPQLFIJ-QFIPXVFZSA-N 1 0 358.485 4.266 50 0 FIAARO CCn1c(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 ZINC000054173574 571202949 /nfs/dbraw/zinc/20/29/49/571202949.db2.gz SVJCRXFARGVVCW-HNNXBMFYSA-N 1 0 362.477 4.256 50 0 FIAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000534584158 571204989 /nfs/dbraw/zinc/20/49/89/571204989.db2.gz LNIJJDUVSAAIAY-JOCHJYFZSA-N 1 0 363.505 4.111 50 0 FIAARO CN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc(Cl)c1Cl ZINC000534663456 571209239 /nfs/dbraw/zinc/20/92/39/571209239.db2.gz VLIWBQFPRWCWRN-UHFFFAOYSA-N 1 0 358.313 4.011 50 0 FIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436624 571211489 /nfs/dbraw/zinc/21/14/89/571211489.db2.gz XLUPAQLNJYPMDI-OAQYLSRUSA-N 1 0 361.493 4.093 50 0 FIAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077455657 571212213 /nfs/dbraw/zinc/21/22/13/571212213.db2.gz OWHJJSIWYZCMOS-QHCPKHFHSA-N 1 0 365.521 4.028 50 0 FIAARO Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc1O ZINC000077485188 571213212 /nfs/dbraw/zinc/21/32/12/571213212.db2.gz OSYISJZABDEYLG-HXUWFJFHSA-N 1 0 352.478 4.130 50 0 FIAARO Cc1cc2cc(C(=O)N3C[C@@H](c4ccc(C)cc4)[C@H]([NH+](C)C)C3)ccc2o1 ZINC000077522397 571214595 /nfs/dbraw/zinc/21/45/95/571214595.db2.gz NWVLSWXEJPBTLP-LEWJYISDSA-N 1 0 362.473 4.219 50 0 FIAARO C[C@@H](NC(=O)N(C)CCC[NH+]1CCCCCC1)c1ccc2[nH]ccc2c1 ZINC000426398145 571219844 /nfs/dbraw/zinc/21/98/44/571219844.db2.gz RKLWDZSDAVPBGI-QGZVFWFLSA-N 1 0 356.514 4.136 50 0 FIAARO CCC(=O)c1cccc(-c2cccc(C(=O)N(C)C3CC[NH+](C)CC3)c2)c1 ZINC000426494329 571228240 /nfs/dbraw/zinc/22/82/40/571228240.db2.gz PCKWHKYVFPCIKO-UHFFFAOYSA-N 1 0 364.489 4.113 50 0 FIAARO Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H](c4ccccc4)C(C)(C)C3)o2)n1C ZINC000426506901 571228914 /nfs/dbraw/zinc/22/89/14/571228914.db2.gz YFWWJLOYFJIDTK-KRWDZBQOSA-N 1 0 350.466 4.009 50 0 FIAARO Cc1[nH]c2c(cccc2C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1C ZINC000082171961 571229783 /nfs/dbraw/zinc/22/97/83/571229783.db2.gz DETCECLQDGEMPM-UHFFFAOYSA-N 1 0 374.488 4.184 50 0 FIAARO CO[C@]12CC[N@H+](Cc3ccc(C)s3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426582832 571232350 /nfs/dbraw/zinc/23/23/50/571232350.db2.gz OFJWLDMCDUGWBO-XKGZKEIXSA-N 1 0 358.507 4.043 50 0 FIAARO COc1cc(C[N@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)cc(OC)c1 ZINC000036095140 571240717 /nfs/dbraw/zinc/24/07/17/571240717.db2.gz DEWNQQZRKIBHGK-OAQYLSRUSA-N 1 0 371.521 4.156 50 0 FIAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2)c1 ZINC000036098630 571241103 /nfs/dbraw/zinc/24/11/03/571241103.db2.gz RASKYQSHFYVESF-FQEVSTJZSA-N 1 0 351.446 4.030 50 0 FIAARO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)cc1 ZINC000036101972 571241912 /nfs/dbraw/zinc/24/19/12/571241912.db2.gz MBDIWJFMEORUQQ-JOCHJYFZSA-N 1 0 359.485 4.170 50 0 FIAARO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104280 571242121 /nfs/dbraw/zinc/24/21/21/571242121.db2.gz FQKXMZRLEXJKBP-QFIPXVFZSA-N 1 0 365.448 4.268 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169677975 571247022 /nfs/dbraw/zinc/24/70/22/571247022.db2.gz FNQQZCMZUHDVRR-TZIWHRDSSA-N 1 0 371.521 4.352 50 0 FIAARO Cc1cccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877403 571252145 /nfs/dbraw/zinc/25/21/45/571252145.db2.gz DFIVWIGQYWXXAZ-LJQANCHMSA-N 1 0 363.505 4.297 50 0 FIAARO CCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000065285353 571260074 /nfs/dbraw/zinc/26/00/74/571260074.db2.gz SVEDBLHAIVEWEA-GOSISDBHSA-N 1 0 364.493 4.228 50 0 FIAARO Cc1oc2c(c1C(=O)N1CCCC[C@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000065292003 571260553 /nfs/dbraw/zinc/26/05/53/571260553.db2.gz VFFSCYGTWGXTHE-OAHLLOKOSA-N 1 0 370.468 4.300 50 0 FIAARO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1nc2c(s1)CCC2 ZINC000170071698 571261652 /nfs/dbraw/zinc/26/16/52/571261652.db2.gz XCJGTNIDYDSAEX-LLVKDONJSA-N 1 0 366.328 4.157 50 0 FIAARO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000089977205 571274580 /nfs/dbraw/zinc/27/45/80/571274580.db2.gz BXOVHNGEFAFTQO-UXHICEINSA-N 1 0 361.489 4.348 50 0 FIAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237628904 571277238 /nfs/dbraw/zinc/27/72/38/571277238.db2.gz FPQIPZWMZHSUMR-GXSJLCMTSA-N 1 0 370.305 4.069 50 0 FIAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237529752 571277270 /nfs/dbraw/zinc/27/72/70/571277270.db2.gz FPQIPZWMZHSUMR-ONGXEEELSA-N 1 0 370.305 4.069 50 0 FIAARO COc1ccc([C@@H]2C[C@H](O)[C@H](C(C)C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000252624561 571288787 /nfs/dbraw/zinc/28/87/87/571288787.db2.gz PQRBDYZZRFRTDK-MYGLTJDJSA-N 1 0 355.478 4.113 50 0 FIAARO CC[C@@H]1CN(C(=O)c2ccc(-c3cccc(C(C)(C)C)c3)cc2)CC[NH2+]1 ZINC000584894167 571315067 /nfs/dbraw/zinc/31/50/67/571315067.db2.gz SBDRMQKYMGUBKN-OAQYLSRUSA-N 1 0 350.506 4.475 50 0 FIAARO Cc1cc(-c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2)c(Cl)cc1F ZINC000584897360 571315618 /nfs/dbraw/zinc/31/56/18/571315618.db2.gz FGIXRIHCTZWLNU-CALCHBBNSA-N 1 0 372.871 4.088 50 0 FIAARO Clc1cccc(-c2cc(C[NH2+]C3CCN(Cc4ccco4)CC3)on2)c1 ZINC000584899441 571315885 /nfs/dbraw/zinc/31/58/85/571315885.db2.gz QFPIAMDHOHIBMQ-UHFFFAOYSA-N 1 0 371.868 4.342 50 0 FIAARO CCCC[NH+](CCCC)CCCn1cnc2c3ccc(C)cc3[nH]c2c1=O ZINC000002363291 571319550 /nfs/dbraw/zinc/31/95/50/571319550.db2.gz JWZSBUDYYXGWHC-UHFFFAOYSA-N 1 0 368.525 4.479 50 0 FIAARO C[NH+](C)CCN(Cc1ccco1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000079071208 571326862 /nfs/dbraw/zinc/32/68/62/571326862.db2.gz AHBBYOIWEYDGFA-UHFFFAOYSA-N 1 0 369.292 4.109 50 0 FIAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 ZINC000095396459 571329270 /nfs/dbraw/zinc/32/92/70/571329270.db2.gz WXNKBJPVPSVNKL-WOJBJXKFSA-N 1 0 372.459 4.225 50 0 FIAARO Nc1ccc(F)c(NC(=O)CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000095409278 571329418 /nfs/dbraw/zinc/32/94/18/571329418.db2.gz PYANRDIOODUMIH-LJQANCHMSA-N 1 0 361.848 4.131 50 0 FIAARO c1cnn(-c2cccc(C[N@@H+](Cc3ccccc3)CC3CCOCC3)c2)c1 ZINC000095455419 571330020 /nfs/dbraw/zinc/33/00/20/571330020.db2.gz PFOCBLJSRUXDEL-UHFFFAOYSA-N 1 0 361.489 4.301 50 0 FIAARO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(-c2ccccc2F)o1 ZINC000095466670 571330475 /nfs/dbraw/zinc/33/04/75/571330475.db2.gz ZZLFNVLCNQISLS-SFHVURJKSA-N 1 0 357.404 4.372 50 0 FIAARO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nnc(-c2ccccc2F)o1 ZINC000095466669 571330526 /nfs/dbraw/zinc/33/05/26/571330526.db2.gz ZZLFNVLCNQISLS-GOSISDBHSA-N 1 0 357.404 4.372 50 0 FIAARO CCN(Cc1nc2oc(C)c(C)c2c(N)n1)[C@H](C)c1cccc(OC)c1 ZINC000095967000 571333218 /nfs/dbraw/zinc/33/32/18/571333218.db2.gz IPKLZKIQEHKCKH-CYBMUJFWSA-N 1 0 354.454 4.014 50 0 FIAARO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc1OCC1CC1 ZINC000095989240 571333534 /nfs/dbraw/zinc/33/35/34/571333534.db2.gz FGOSSAKNMKYADT-OYHNWAKOSA-N 1 0 373.468 4.489 50 0 FIAARO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc1OCC1CC1 ZINC000095989241 571333561 /nfs/dbraw/zinc/33/35/61/571333561.db2.gz FGOSSAKNMKYADT-IVZQSRNASA-N 1 0 373.468 4.489 50 0 FIAARO CC1(C)CC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC(C)(C)[NH2+]1 ZINC000029787416 571343059 /nfs/dbraw/zinc/34/30/59/571343059.db2.gz SBWKVFREBHBXFE-UHFFFAOYSA-N 1 0 354.494 4.305 50 0 FIAARO C[C@H](c1ccco1)N(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003047160 571344034 /nfs/dbraw/zinc/34/40/34/571344034.db2.gz BYELRHWLOBPYFH-GFCCVEGCSA-N 1 0 369.893 4.394 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)c1 ZINC000003050156 571344193 /nfs/dbraw/zinc/34/41/93/571344193.db2.gz WDERZBUQGWLODL-HNNXBMFYSA-N 1 0 374.579 4.125 50 0 FIAARO C[NH+](C)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003192662 571345415 /nfs/dbraw/zinc/34/54/15/571345415.db2.gz AICNPCABIMNBQK-QGZVFWFLSA-N 1 0 354.277 4.022 50 0 FIAARO C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211453 571345574 /nfs/dbraw/zinc/34/55/74/571345574.db2.gz LDSSHFVKURPSKD-PBHICJAKSA-N 1 0 351.585 4.070 50 0 FIAARO C[n+]1ccccc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003344454 571347841 /nfs/dbraw/zinc/34/78/41/571347841.db2.gz SPFLIVSTLFZEKD-UHFFFAOYSA-N 1 0 357.462 4.181 50 0 FIAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1C[NH+](CC)CC ZINC000003646840 571351891 /nfs/dbraw/zinc/35/18/91/571351891.db2.gz OKOGAIZKXQPQGU-UHFFFAOYSA-N 1 0 366.461 4.355 50 0 FIAARO C[NH+](C)CCN(Cc1cccs1)C(=S)Nc1ccc(Cl)cc1 ZINC000003662263 571352061 /nfs/dbraw/zinc/35/20/61/571352061.db2.gz OIDQRBVTYBBLLB-UHFFFAOYSA-N 1 0 353.944 4.162 50 0 FIAARO Cc1cc(C)c(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c(C)c1 ZINC000003665585 571352137 /nfs/dbraw/zinc/35/21/37/571352137.db2.gz BSMGJPZNDFBSMB-UHFFFAOYSA-N 1 0 361.580 4.434 50 0 FIAARO Cc1cccc(NC(=S)N(CCC[NH+]2CCCC2)Cc2ccco2)c1 ZINC000003665495 571352159 /nfs/dbraw/zinc/35/21/59/571352159.db2.gz JVXZTLWHJRDXTC-UHFFFAOYSA-N 1 0 357.523 4.273 50 0 FIAARO CC(=O)Nc1ccc2nc(C[N@H+]3CC=C(c4ccccc4)CC3)ccc2c1 ZINC000670453932 571353391 /nfs/dbraw/zinc/35/33/91/571353391.db2.gz OWVAQUUGSLNDIC-UHFFFAOYSA-N 1 0 357.457 4.483 50 0 FIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)OC)c3)c2c1 ZINC000003953596 571353441 /nfs/dbraw/zinc/35/34/41/571353441.db2.gz BXHQFPLAWSDLAA-UHFFFAOYSA-N 1 0 364.401 4.250 50 0 FIAARO CCOc1cc2[nH+]ccc(NCc3nccc(C(F)F)n3)c2cc1OCC ZINC000288144330 1080543470 /nfs/dbraw/zinc/54/34/70/1080543470.db2.gz GBPSBDJJVBOTNQ-UHFFFAOYSA-N 1 0 374.391 4.372 50 0 FIAARO CC[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)[NH+]1CCCC1 ZINC000024798344 1080825589 /nfs/dbraw/zinc/82/55/89/1080825589.db2.gz PNMMOIBNCCQDEG-GFCCVEGCSA-N 1 0 354.878 4.298 50 0 FIAARO O[C@H](C[NH2+]CC1(c2ccccc2)CCCC1)COc1ccc(Cl)cc1 ZINC000022364040 1082411177 /nfs/dbraw/zinc/41/11/77/1082411177.db2.gz UVWJHSIRFYJJQL-LJQANCHMSA-N 1 0 359.897 4.181 50 0 FIAARO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)cc1 ZINC000194842107 1083628174 /nfs/dbraw/zinc/62/81/74/1083628174.db2.gz NZRKNJUHNYJTGS-OAQYLSRUSA-N 1 0 366.505 4.344 50 0 FIAARO Cc1ccc(-c2csc(NC(=O)C3CC[NH+](C4CC4)CC3)n2)c(C)c1 ZINC000195301997 1085463807 /nfs/dbraw/zinc/46/38/07/1085463807.db2.gz OOMLQFIWRNSDNN-UHFFFAOYSA-N 1 0 355.507 4.240 50 0 FIAARO c1cn([C@@H]2CC[N@@H+](C3CCN(c4ccc(-c5ccccc5)cc4)CC3)C2)cn1 ZINC000023145479 1086053857 /nfs/dbraw/zinc/05/38/57/1086053857.db2.gz HSYPRQUZAVUFCE-XMMPIXPASA-N 1 0 372.516 4.466 50 0 FIAARO Fc1ccc2nc([C@H]3CCC[N@H+](Cc4cnc5ccccc5n4)C3)oc2c1 ZINC000888101401 1086780896 /nfs/dbraw/zinc/78/08/96/1086780896.db2.gz SNSFHSJUUDKLSC-AWEZNQCLSA-N 1 0 362.408 4.290 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCCC[C@H]1CCn1cc(-c2ccccc2)nn1 ZINC000575556103 1107253124 /nfs/dbraw/zinc/25/31/24/1107253124.db2.gz LWJSOWIJYSWTEA-SFHVURJKSA-N 1 0 367.522 4.155 50 0 FIAARO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC2(O)CCC2)CCC3)cc1 ZINC000793565467 1113308521 /nfs/dbraw/zinc/30/85/21/1113308521.db2.gz PYRHJKDJARBSLL-INIZCTEOSA-N 1 0 358.507 4.091 50 0 FIAARO COc1ccc(-c2csc(=Nc3ccccc3)n2CCC[NH+](C)C)cc1 ZINC000254479276 1114098611 /nfs/dbraw/zinc/09/86/11/1114098611.db2.gz POVGDMXEDGPTGA-UHFFFAOYSA-N 1 0 367.518 4.409 50 0 FIAARO O=C(Nc1ccccc1OC1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171524242 1115870719 /nfs/dbraw/zinc/87/07/19/1115870719.db2.gz ZCXWSONBNSXPDB-QGZVFWFLSA-N 1 0 357.498 4.100 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1C ZINC000011661254 1124885648 /nfs/dbraw/zinc/88/56/48/1124885648.db2.gz YFEOXXQFCXBRIC-LJQANCHMSA-N 1 0 351.446 4.127 50 0 FIAARO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc3ccccc3s2)CC1 ZINC000092149106 1125135844 /nfs/dbraw/zinc/13/58/44/1125135844.db2.gz ZDNMONLWDZCRCI-UHFFFAOYSA-N 1 0 356.516 4.311 50 0 FIAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCc2ccccc2C1 ZINC000011843967 1125223018 /nfs/dbraw/zinc/22/30/18/1125223018.db2.gz FZBIMEPWNLARQE-NRFANRHFSA-N 1 0 366.549 4.420 50 0 FIAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCCCC4)C3)C2)c1 ZINC000011879454 1125411394 /nfs/dbraw/zinc/41/13/94/1125411394.db2.gz GKPBGGQIFTWSAD-QHCPKHFHSA-N 1 0 354.538 4.390 50 0 FIAARO Cc1ccc(SCCN(C)C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000215640163 222650988 /nfs/dbraw/zinc/65/09/88/222650988.db2.gz SRAWZZSWGQUKIW-HXUWFJFHSA-N 1 0 368.546 4.326 50 0 FIAARO C[C@@H]1CCC[C@@H]([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C1 ZINC000000757892 219318837 /nfs/dbraw/zinc/31/88/37/219318837.db2.gz LXLXQWAPLMGBSB-RHSMWYFYSA-N 1 0 352.316 4.311 50 0 FIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000000757324 219318955 /nfs/dbraw/zinc/31/89/55/219318955.db2.gz JWKJCDFWLWVQMS-JOCHJYFZSA-N 1 0 364.533 4.399 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3OC)n2C)cc1 ZINC000000819173 219325561 /nfs/dbraw/zinc/32/55/61/219325561.db2.gz KLJZNKLSHDYXET-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002451864 219445149 /nfs/dbraw/zinc/44/51/49/219445149.db2.gz RUZLWXFDGJEGSC-JOCHJYFZSA-N 1 0 373.924 4.172 50 0 FIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCCCC1 ZINC000253412667 222986315 /nfs/dbraw/zinc/98/63/15/222986315.db2.gz RRJUUSCLDPJTOV-LEWJYISDSA-N 1 0 371.569 4.261 50 0 biogenic FIAARO Brc1ncc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000253431737 222990149 /nfs/dbraw/zinc/99/01/49/222990149.db2.gz XICXNWZVTHQQCC-WFASDCNBSA-N 1 0 367.312 4.163 50 0 FIAARO C[NH+](C)CCCN(C(=O)C1CCCCC1)c1nc2ccc(F)cc2s1 ZINC000006931577 219782921 /nfs/dbraw/zinc/78/29/21/219782921.db2.gz XNSVDPZLFLRJKD-UHFFFAOYSA-N 1 0 363.502 4.300 50 0 FIAARO O=C(COc1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011791 219841408 /nfs/dbraw/zinc/84/14/08/219841408.db2.gz APKOILPWRIOPNO-UHFFFAOYSA-N 1 0 374.484 4.131 50 0 FIAARO O=C(NCc1ccc(F)cc1Cl)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299803188 223106030 /nfs/dbraw/zinc/10/60/30/223106030.db2.gz ZPELDNSIGDLQPW-SXLOBPIMSA-N 1 0 372.871 4.321 50 0 FIAARO O=C(NCc1c(F)cccc1Cl)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299795273 223100669 /nfs/dbraw/zinc/10/06/69/223100669.db2.gz KNBMZJZPEXUIFP-BEVDRBHNSA-N 1 0 372.871 4.321 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2F)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000299795710 223101429 /nfs/dbraw/zinc/10/14/29/223101429.db2.gz LRZPKUNQODOAJV-NRFANRHFSA-N 1 0 369.440 4.225 50 0 FIAARO CC1(C)CC(NC(=O)c2ccccc2Nc2ccccc2)CC(C)(C)[NH2+]1 ZINC000010558257 219905744 /nfs/dbraw/zinc/90/57/44/219905744.db2.gz WZHRMQHWUAJSDE-UHFFFAOYSA-N 1 0 351.494 4.469 50 0 FIAARO Clc1cc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 ZINC000011171229 219915940 /nfs/dbraw/zinc/91/59/40/219915940.db2.gz FOUHDBFLDFIKGS-KBPBESRZSA-N 1 0 352.887 4.005 50 0 FIAARO O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+]1CCCCCC1 ZINC000012421975 219992482 /nfs/dbraw/zinc/99/24/82/219992482.db2.gz FIOBYMQSTLWAEX-MRXNPFEDSA-N 1 0 360.929 4.410 50 0 FIAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000012572519 220007842 /nfs/dbraw/zinc/00/78/42/220007842.db2.gz HWYCPVUJAWADAU-LJQANCHMSA-N 1 0 363.461 4.430 50 0 FIAARO COc1ccc(C(=O)NC2CCCCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012590086 220010852 /nfs/dbraw/zinc/01/08/52/220010852.db2.gz UOIMCIZCYJPWTJ-UHFFFAOYSA-N 1 0 374.525 4.009 50 0 FIAARO Cc1cccc(-n2cc(C[N@@H+](CCO)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000012589363 220011401 /nfs/dbraw/zinc/01/14/01/220011401.db2.gz VTIMHZRXSMFVAY-UHFFFAOYSA-N 1 0 367.468 4.190 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000012597688 220012657 /nfs/dbraw/zinc/01/26/57/220012657.db2.gz VINANCUAJXIRCO-IBGZPJMESA-N 1 0 361.551 4.160 50 0 FIAARO C[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000012704820 220018094 /nfs/dbraw/zinc/01/80/94/220018094.db2.gz ATZGYSHQOCKDJI-HXUWFJFHSA-N 1 0 356.897 4.026 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H](c1cccs1)C1CC1 ZINC000012736677 220022779 /nfs/dbraw/zinc/02/27/79/220022779.db2.gz YQHBAKJYNFUGFP-FQEVSTJZSA-N 1 0 369.534 4.294 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000012770886 220026940 /nfs/dbraw/zinc/02/69/40/220026940.db2.gz IHOZVOBZJYBCHS-IBGZPJMESA-N 1 0 365.429 4.153 50 0 FIAARO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000012771038 220028185 /nfs/dbraw/zinc/02/81/85/220028185.db2.gz SBNKZGLRQXKCMF-AWEZNQCLSA-N 1 0 362.926 4.199 50 0 FIAARO CC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012749944 220024596 /nfs/dbraw/zinc/02/45/96/220024596.db2.gz JWNDXRQCAICFKG-CQSZACIVSA-N 1 0 351.425 4.373 50 0 FIAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(Cl)s1 ZINC000012759196 220025943 /nfs/dbraw/zinc/02/59/43/220025943.db2.gz HYDUXWBKHPYSSB-MRXNPFEDSA-N 1 0 362.926 4.229 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000012761665 220025951 /nfs/dbraw/zinc/02/59/51/220025951.db2.gz RZYVULQHTLCYQG-OAQYLSRUSA-N 1 0 370.924 4.396 50 0 FIAARO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012778761 220029071 /nfs/dbraw/zinc/02/90/71/220029071.db2.gz DDQAODLITQYTBY-QGZVFWFLSA-N 1 0 352.478 4.172 50 0 FIAARO O=C(NCc1ccccc1OC(F)F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012787792 220030463 /nfs/dbraw/zinc/03/04/63/220030463.db2.gz VUDOGANEFXLLKR-UHFFFAOYSA-N 1 0 374.431 4.204 50 0 FIAARO C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccco4)[NH+](C)C)c32)C1 ZINC000012856394 220036130 /nfs/dbraw/zinc/03/61/30/220036130.db2.gz FXFXNZBMQSIEAG-OCCSQVGLSA-N 1 0 356.495 4.124 50 0 FIAARO C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000012918042 220043174 /nfs/dbraw/zinc/04/31/74/220043174.db2.gz FLWFLVSMCULURD-JOCHJYFZSA-N 1 0 365.448 4.364 50 0 FIAARO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000012928133 220044573 /nfs/dbraw/zinc/04/45/73/220044573.db2.gz JEORSIFIRWRAEO-GOSISDBHSA-N 1 0 351.494 4.233 50 0 FIAARO O=C(COc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000012980877 220048243 /nfs/dbraw/zinc/04/82/43/220048243.db2.gz DZSNBELMLHYPCL-UHFFFAOYSA-N 1 0 374.484 4.131 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 ZINC000013011199 220052935 /nfs/dbraw/zinc/05/29/35/220052935.db2.gz XWOAPCFNZZPVKY-OAQYLSRUSA-N 1 0 364.514 4.377 50 0 FIAARO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000013667757 220081542 /nfs/dbraw/zinc/08/15/42/220081542.db2.gz UNVKRXOQDVWWDJ-UHFFFAOYSA-N 1 0 352.478 4.001 50 0 FIAARO Cc1csc2nc(C[NH2+][C@@H](c3ccc(Cl)cc3)C(C)C)cc(=O)n12 ZINC000014084437 220105064 /nfs/dbraw/zinc/10/50/64/220105064.db2.gz JTVZZHSJTJBUOO-QGZVFWFLSA-N 1 0 361.898 4.205 50 0 FIAARO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 ZINC000014116439 220107744 /nfs/dbraw/zinc/10/77/44/220107744.db2.gz AGZUGQQOFUFKAM-MRXNPFEDSA-N 1 0 362.477 4.441 50 0 FIAARO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccs1 ZINC000014123900 220108908 /nfs/dbraw/zinc/10/89/08/220108908.db2.gz FHYMXDVHBCQHKL-AWEZNQCLSA-N 1 0 372.490 4.469 50 0 FIAARO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000014964048 220137169 /nfs/dbraw/zinc/13/71/69/220137169.db2.gz NIBCXBHAWWBXIK-OAQYLSRUSA-N 1 0 368.452 4.075 50 0 FIAARO Oc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000014958700 220137376 /nfs/dbraw/zinc/13/73/76/220137376.db2.gz RILFUQFOZRUPKN-DEOSSOPVSA-N 1 0 364.533 4.313 50 0 FIAARO Cc1ccc2c(C[N@H+](C)CCOc3cccc(Cl)c3)cc(=O)oc2c1 ZINC000015049318 220142925 /nfs/dbraw/zinc/14/29/25/220142925.db2.gz XAQVAUROLMAMOA-UHFFFAOYSA-N 1 0 357.837 4.266 50 0 FIAARO COc1ccc(NC(=O)[C@H]2CC23CC[NH+](CCC(C)C)CC3)cc1Cl ZINC000014993942 220140357 /nfs/dbraw/zinc/14/03/57/220140357.db2.gz SKQRIMGSAYVKGH-MRXNPFEDSA-N 1 0 364.917 4.435 50 0 FIAARO COc1ccc2cc(-c3n[nH]cc3C[N@H+](C)C[C@H]3CCCCO3)ccc2c1 ZINC000015079206 220147689 /nfs/dbraw/zinc/14/76/89/220147689.db2.gz FNTULCLZDSPHHC-OAQYLSRUSA-N 1 0 365.477 4.239 50 0 FIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000015105584 220148731 /nfs/dbraw/zinc/14/87/31/220148731.db2.gz DMJFEPKFVJZFKH-NRFANRHFSA-N 1 0 370.468 4.068 50 0 FIAARO O=C(c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)cc1)N1CCCC1 ZINC000015075784 220145623 /nfs/dbraw/zinc/14/56/23/220145623.db2.gz FGOQZNVISMWMGM-UHFFFAOYSA-N 1 0 370.537 4.346 50 0 FIAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000015300645 220151268 /nfs/dbraw/zinc/15/12/68/220151268.db2.gz OYFFPOCBRQYALS-UWJYYQICSA-N 1 0 352.478 4.018 50 0 FIAARO Cn1cc(CC[N@H+](C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)cn1 ZINC000015961694 220173392 /nfs/dbraw/zinc/17/33/92/220173392.db2.gz BOHDIIZPUTXTIZ-UHFFFAOYSA-N 1 0 371.488 4.152 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860322 220169059 /nfs/dbraw/zinc/16/90/59/220169059.db2.gz IKSKEGOPXQCTIU-GOSISDBHSA-N 1 0 360.885 4.444 50 0 FIAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019361543 220252362 /nfs/dbraw/zinc/25/23/62/220252362.db2.gz OWGHSDXRNVLLLV-CRAIPNDOSA-N 1 0 351.332 4.145 50 0 FIAARO COc1cc(C)c(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000019536544 220269635 /nfs/dbraw/zinc/26/96/35/220269635.db2.gz NNOMBDRMLPCRPX-JXMROGBWSA-N 1 0 350.506 4.143 50 0 FIAARO COc1ccc(CC[N@H+](C)Cc2ccccc2C(F)(F)F)cc1OC ZINC000019606857 220280765 /nfs/dbraw/zinc/28/07/65/220280765.db2.gz LYDWAUFDFAZXQT-UHFFFAOYSA-N 1 0 353.384 4.397 50 0 FIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2Br)cc1OC ZINC000019608819 220281493 /nfs/dbraw/zinc/28/14/93/220281493.db2.gz FGNXDZYIUCJCBA-CYBMUJFWSA-N 1 0 364.283 4.187 50 0 FIAARO O=C(Nc1ccccc1C(F)(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020532087 220330968 /nfs/dbraw/zinc/33/09/68/220330968.db2.gz UYJJFKSEVMTBIW-UHFFFAOYSA-N 1 0 355.404 4.045 50 0 FIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000020639634 220337860 /nfs/dbraw/zinc/33/78/60/220337860.db2.gz QZZVBNCYAJUNSK-OAHLLOKOSA-N 1 0 367.605 4.152 50 0 FIAARO Cc1cc(C)cc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1 ZINC000021170887 220354365 /nfs/dbraw/zinc/35/43/65/220354365.db2.gz KICYLYAMQZEUPJ-OAQYLSRUSA-N 1 0 372.553 4.329 50 0 FIAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1 ZINC000021719919 220365172 /nfs/dbraw/zinc/36/51/72/220365172.db2.gz NEACLOPWFXGAKA-SFHVURJKSA-N 1 0 352.438 4.027 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3)CC2)c1 ZINC000021783962 220366239 /nfs/dbraw/zinc/36/62/39/220366239.db2.gz HWVRTEINKWRAQB-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO COc1cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)ccc1OCc1ccccc1 ZINC000022023021 220373726 /nfs/dbraw/zinc/37/37/26/220373726.db2.gz ANQFWUAQTULTRG-VJBMBRPKSA-N 1 0 367.489 4.230 50 0 FIAARO Fc1ccc([C@@H](c2ccc(C(F)(F)F)cc2)N2CCC[NH2+]CC2)cc1 ZINC000022028434 220373900 /nfs/dbraw/zinc/37/39/00/220373900.db2.gz LNPSQSBSSAFBPW-GOSISDBHSA-N 1 0 352.375 4.229 50 0 FIAARO COc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)ccc1OCc1ccccc1 ZINC000022023023 220374150 /nfs/dbraw/zinc/37/41/50/220374150.db2.gz ANQFWUAQTULTRG-AJSBUHFISA-N 1 0 367.489 4.230 50 0 FIAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccn1 ZINC000024841129 220465165 /nfs/dbraw/zinc/46/51/65/220465165.db2.gz LQJCMIYKDKGXPZ-UHFFFAOYSA-N 1 0 371.484 4.274 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1C ZINC000036102257 220802908 /nfs/dbraw/zinc/80/29/08/220802908.db2.gz OHVKUZKKWAZCKW-QUCCMNQESA-N 1 0 357.494 4.044 50 0 FIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC(Cc2ccccc2)CC1 ZINC000048324395 221007606 /nfs/dbraw/zinc/00/76/06/221007606.db2.gz PHPSWTIKVQAVND-OAQYLSRUSA-N 1 0 368.546 4.366 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1ccsc1 ZINC000048235291 221001471 /nfs/dbraw/zinc/00/14/71/221001471.db2.gz YXODWGDGJZNPQL-INIZCTEOSA-N 1 0 372.519 4.296 50 0 FIAARO C[C@H]1CCCC[C@@H]1OCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000048237298 221002236 /nfs/dbraw/zinc/00/22/36/221002236.db2.gz FYCYQQRHCFJUHJ-JTSKRJEESA-N 1 0 370.537 4.139 50 0 FIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000055037162 221057616 /nfs/dbraw/zinc/05/76/16/221057616.db2.gz JLCAFRKUVTXPBD-INIZCTEOSA-N 1 0 367.474 4.040 50 0 FIAARO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)n1 ZINC000055271808 221064064 /nfs/dbraw/zinc/06/40/64/221064064.db2.gz OMZVQTURFYWCAU-QFIPXVFZSA-N 1 0 371.475 4.156 50 0 FIAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)o1 ZINC000055271118 221064559 /nfs/dbraw/zinc/06/45/59/221064559.db2.gz WRFPAEYCRBRDLQ-NRFANRHFSA-N 1 0 360.448 4.354 50 0 FIAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000056851811 221081557 /nfs/dbraw/zinc/08/15/57/221081557.db2.gz FUJRHYVIMWWOQB-OLZOCXBDSA-N 1 0 366.383 4.392 50 0 FIAARO Fc1ccccc1Oc1ncccc1C[NH2+]Cc1cccn1-c1cccnc1 ZINC000055328008 221067225 /nfs/dbraw/zinc/06/72/25/221067225.db2.gz ILWKZMNZRCYDQS-UHFFFAOYSA-N 1 0 374.419 4.489 50 0 FIAARO COc1ccc2ccccc2c1C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000057801373 221094178 /nfs/dbraw/zinc/09/41/78/221094178.db2.gz QNPIAJJVMNQZFQ-UHFFFAOYSA-N 1 0 367.445 4.164 50 0 FIAARO COc1cccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)c1 ZINC000058096701 221098289 /nfs/dbraw/zinc/09/82/89/221098289.db2.gz IMVUAPWNMKFAEU-UHFFFAOYSA-N 1 0 369.534 4.174 50 0 FIAARO Cc1ccc2c(C[N@H+]3CCC[C@H]3CN(C)c3ccccc3)cc(=O)oc2c1 ZINC000058156867 221099726 /nfs/dbraw/zinc/09/97/26/221099726.db2.gz QSICZGJWEAZIIK-FQEVSTJZSA-N 1 0 362.473 4.202 50 0 FIAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000061002745 221133607 /nfs/dbraw/zinc/13/36/07/221133607.db2.gz DMNRPYKHKDJNID-UHFFFAOYSA-N 1 0 357.860 4.365 50 0 FIAARO COc1c2ccc(Cl)cc2sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000064756829 221151009 /nfs/dbraw/zinc/15/10/09/221151009.db2.gz GJKKIQNJZAWMAS-LBPRGKRZSA-N 1 0 366.914 4.168 50 0 FIAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1)N2 ZINC000065298500 221197002 /nfs/dbraw/zinc/19/70/02/221197002.db2.gz VPHDKNVNYLVFQV-FQEVSTJZSA-N 1 0 363.505 4.116 50 0 biogenic FIAARO Cc1c(-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)cnn1-c1ccccc1 ZINC000065366144 221203199 /nfs/dbraw/zinc/20/31/99/221203199.db2.gz DUQRMVUMIKBJCY-FQEVSTJZSA-N 1 0 369.472 4.246 50 0 FIAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cccnc1)Nc1nc2ccccc2s1 ZINC000065385134 221208895 /nfs/dbraw/zinc/20/88/95/221208895.db2.gz WJOVYRKUUHRTPW-KRWDZBQOSA-N 1 0 366.490 4.247 50 0 FIAARO COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1C[C@H]1CCC[NH2+]1 ZINC000065388007 221210098 /nfs/dbraw/zinc/21/00/98/221210098.db2.gz SKTKNWHUIVJZGZ-QGZVFWFLSA-N 1 0 351.425 4.117 50 0 FIAARO CCCCN(C(=O)c1nc(C)n(C2CC[NH+](C)CC2)c1C)c1ccccc1 ZINC000065257306 221189686 /nfs/dbraw/zinc/18/96/86/221189686.db2.gz HGGAKQSUGCIYPJ-UHFFFAOYSA-N 1 0 368.525 4.214 50 0 FIAARO COc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000065465042 221223439 /nfs/dbraw/zinc/22/34/39/221223439.db2.gz INOGHVKHNOSNPK-INIZCTEOSA-N 1 0 352.478 4.488 50 0 FIAARO O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065565258 221233729 /nfs/dbraw/zinc/23/37/29/221233729.db2.gz VXJZMYYHXCDGFC-OAHLLOKOSA-N 1 0 355.309 4.013 50 0 FIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c(-c2ccccc2)nc2ncccn12 ZINC000067675042 221268873 /nfs/dbraw/zinc/26/88/73/221268873.db2.gz IARKWUXOKSOQJI-GOSISDBHSA-N 1 0 373.460 4.338 50 0 FIAARO c1c[nH]c(-c2c(-c3ccccc3)ncn2[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000067674805 221269604 /nfs/dbraw/zinc/26/96/04/221269604.db2.gz JHLVXBOSNJDCRL-FQEVSTJZSA-N 1 0 369.472 4.387 50 0 FIAARO C[NH+]1CCC(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067935100 221307262 /nfs/dbraw/zinc/30/72/62/221307262.db2.gz KCNBIEHPQRREGZ-UHFFFAOYSA-N 1 0 372.896 4.001 50 0 FIAARO CC(C)(CNC(=O)c1cccnc1Sc1ccccc1)[NH+]1CCCCC1 ZINC000069179645 221322731 /nfs/dbraw/zinc/32/27/31/221322731.db2.gz KSYGULIEFCOGLA-UHFFFAOYSA-N 1 0 369.534 4.227 50 0 FIAARO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000069248827 221323230 /nfs/dbraw/zinc/32/32/30/221323230.db2.gz IFZOUZDBWPENAB-DDLCOGFTSA-N 1 0 358.551 4.359 50 0 FIAARO Cc1csc(NC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)n1 ZINC000071279248 221337409 /nfs/dbraw/zinc/33/74/09/221337409.db2.gz BTIGPRPQTDOHKE-UHFFFAOYSA-N 1 0 363.486 4.111 50 0 FIAARO OCc1cc2ccccc2nc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071416096 221346195 /nfs/dbraw/zinc/34/61/95/221346195.db2.gz LDNWUTAIXDDWOS-FQEVSTJZSA-N 1 0 362.473 4.174 50 0 FIAARO C[C@@H](c1ccc(-c2ccc(N3CCSCC3)nn2)cc1)[NH+]1CCCCC1 ZINC000097575128 132229795 /nfs/dbraw/zinc/22/97/95/132229795.db2.gz CCRQMMPEUQLACH-KRWDZBQOSA-N 1 0 368.550 4.244 50 0 FIAARO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000222476932 132277231 /nfs/dbraw/zinc/27/72/31/132277231.db2.gz WBUAPWYGQQJEFN-JOCHJYFZSA-N 1 0 363.505 4.013 50 0 FIAARO CCc1nc2c3ccccc3oc2c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057099764 136128312 /nfs/dbraw/zinc/12/83/12/136128312.db2.gz RJWKBURVNIMQIO-UHFFFAOYSA-N 1 0 372.472 4.261 50 0 FIAARO Clc1nc(N2CC[NH+](CCc3cccs3)CC2)cc2ccccc21 ZINC000071824048 136141221 /nfs/dbraw/zinc/14/12/21/136141221.db2.gz RWBOSRXDBNOUSV-UHFFFAOYSA-N 1 0 357.910 4.314 50 0 FIAARO OC[C@H]1CCC[N@@H+](C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)C1 ZINC000023380254 136152718 /nfs/dbraw/zinc/15/27/18/136152718.db2.gz KLJRYIRCUGTFHC-SFHVURJKSA-N 1 0 368.496 4.166 50 0 FIAARO COc1cccc(C[NH2+]C2CCN(c3cccc(-c4cnco4)c3)CC2)c1 ZINC000023543116 136153064 /nfs/dbraw/zinc/15/30/64/136153064.db2.gz CVOREFUTLWWTED-UHFFFAOYSA-N 1 0 363.461 4.109 50 0 FIAARO C[C@@H]1C[NH+](CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@H]1C ZINC000095992876 221986595 /nfs/dbraw/zinc/98/65/95/221986595.db2.gz MNDICUAYTKIMGP-HUUCEWRRSA-N 1 0 357.885 4.118 50 0 FIAARO CC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000096131063 222036956 /nfs/dbraw/zinc/03/69/56/222036956.db2.gz GALWPPPIARYADR-LJQANCHMSA-N 1 0 370.518 4.298 50 0 FIAARO O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc2cnccc21 ZINC000096133367 222039334 /nfs/dbraw/zinc/03/93/34/222039334.db2.gz FNXWUIROLHYJNG-LJQANCHMSA-N 1 0 374.488 4.269 50 0 FIAARO CCSc1ccc(NC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000096165637 222064445 /nfs/dbraw/zinc/06/44/45/222064445.db2.gz SPQNVSRBAYIHBT-UHFFFAOYSA-N 1 0 370.522 4.246 50 0 FIAARO CCOc1ccccc1CCNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000097495182 222185811 /nfs/dbraw/zinc/18/58/11/222185811.db2.gz OQGITVXZBGHLAB-KRWDZBQOSA-N 1 0 370.493 4.198 50 0 FIAARO FC(F)(F)c1cccc(OCc2ccc(-c3nc4c([nH]3)C[NH2+]CC4)cc2)c1 ZINC000097568915 222192870 /nfs/dbraw/zinc/19/28/70/222192870.db2.gz YQIIDEQFGJYRAH-UHFFFAOYSA-N 1 0 373.378 4.320 50 0 FIAARO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000097604028 222198495 /nfs/dbraw/zinc/19/84/95/222198495.db2.gz SMCVBXMQGXQYMI-OAHLLOKOSA-N 1 0 373.543 4.311 50 0 FIAARO Cc1nccc(C2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)n1 ZINC000097716980 222206644 /nfs/dbraw/zinc/20/66/44/222206644.db2.gz GPDMGPOYQWPIDF-IBGZPJMESA-N 1 0 357.523 4.468 50 0 FIAARO CCN(C(=O)Nc1ccccc1OC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106924961 222390833 /nfs/dbraw/zinc/39/08/33/222390833.db2.gz GCNFOUSLLJUFNE-IEBWSBKVSA-N 1 0 367.493 4.385 50 0 FIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000003448914 263329436 /nfs/dbraw/zinc/32/94/36/263329436.db2.gz HIGLSCZYVMEGTR-OAQYLSRUSA-N 1 0 374.484 4.365 50 0 FIAARO CC(=O)c1ccccc1-c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000426478030 263599283 /nfs/dbraw/zinc/59/92/83/263599283.db2.gz OXOBOYHBONEVSH-UHFFFAOYSA-N 1 0 364.489 4.162 50 0 FIAARO Cc1ccc(CN(C(=O)c2cc(C)ccc2OCC[NH3+])C2CCCC2)cc1 ZINC000426485944 263601432 /nfs/dbraw/zinc/60/14/32/263601432.db2.gz ACUPFOOWWDCOPF-UHFFFAOYSA-N 1 0 366.505 4.226 50 0 FIAARO CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000241961270 519655195 /nfs/dbraw/zinc/65/51/95/519655195.db2.gz UQVOMRMVIYDFTC-BHIFYINESA-N 1 0 370.537 4.451 50 0 FIAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000020203936 521358171 /nfs/dbraw/zinc/35/81/71/521358171.db2.gz ACOQFNMXCMTPTN-NRFANRHFSA-N 1 0 372.534 4.148 50 0 FIAARO COCCc1noc(C[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)n1 ZINC000089420260 522038459 /nfs/dbraw/zinc/03/84/59/522038459.db2.gz CXLMQGMRXLCXSQ-MOPGFXCFSA-N 1 0 361.530 4.362 50 0 FIAARO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)cc1Cl ZINC000020018581 523132892 /nfs/dbraw/zinc/13/28/92/523132892.db2.gz NAHSWSLFZSVYKW-SFHVURJKSA-N 1 0 357.837 4.432 50 0 FIAARO CCn1ccc2ccc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc21 ZINC000091475691 523495418 /nfs/dbraw/zinc/49/54/18/523495418.db2.gz CFEXMYGHNZUSID-JTHBVZDNSA-N 1 0 374.532 4.153 50 0 FIAARO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)N[C@H](C)c2ccco2)CC1 ZINC000079943965 525441147 /nfs/dbraw/zinc/44/11/47/525441147.db2.gz KWJFAOYSRXQCCS-OAHLLOKOSA-N 1 0 365.477 4.126 50 0 FIAARO O=C(CCc1cn(C[NH+]2CCCCCC2)c2ccccc12)N1CCCCC1 ZINC000020647153 526635695 /nfs/dbraw/zinc/63/56/95/526635695.db2.gz UMNIAZVISMTPSA-UHFFFAOYSA-N 1 0 367.537 4.420 50 0 FIAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082137398 527502048 /nfs/dbraw/zinc/50/20/48/527502048.db2.gz QOKPEIZQQAGTGG-GOSISDBHSA-N 1 0 352.507 4.076 50 0 FIAARO CC(C)c1cc(CN(C)C(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)on1 ZINC000299791945 528043655 /nfs/dbraw/zinc/04/36/55/528043655.db2.gz DMOAKWJTHBBCJX-HNNXBMFYSA-N 1 0 359.470 4.210 50 0 FIAARO c1csc([C@@H]2CCCCN2Cc2ccc(OCCn3ccnc3)cc2)n1 ZINC000215088760 568050632 /nfs/dbraw/zinc/05/06/32/568050632.db2.gz IKICTEOSSUWEKS-IBGZPJMESA-N 1 0 368.506 4.146 50 0 FIAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(c3nccn3C)CC2)s1 ZINC000216050956 568102727 /nfs/dbraw/zinc/10/27/27/568102727.db2.gz TVLIOTZUVJMUBK-UHFFFAOYSA-N 1 0 352.507 4.232 50 0 FIAARO c1ccc(OC2CCCC2)c(C[N@H+]2CCCN(Cc3cccnc3)CC2)c1 ZINC000216105015 568105731 /nfs/dbraw/zinc/10/57/31/568105731.db2.gz OGKIBWFLIVXIAU-UHFFFAOYSA-N 1 0 365.521 4.111 50 0 FIAARO Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000216430027 568123089 /nfs/dbraw/zinc/12/30/89/568123089.db2.gz 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Cc1nccn1CC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023153377 570957945 /nfs/dbraw/zinc/95/79/45/570957945.db2.gz XMNQKWYFJYZYSZ-UHFFFAOYSA-N 1 0 360.505 4.117 50 0 FIAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)cc(=O)[nH]1 ZINC000023399791 570963283 /nfs/dbraw/zinc/96/32/83/570963283.db2.gz NTMWRBDDMQHPGJ-IBGZPJMESA-N 1 0 371.484 4.029 50 0 FIAARO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000005073890 570966171 /nfs/dbraw/zinc/96/61/71/570966171.db2.gz MBCFSQHAVZFMOR-XLNBUVHKSA-N 1 0 369.549 4.029 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000024102870 570971596 /nfs/dbraw/zinc/97/15/96/570971596.db2.gz ZOPIEBLDHXABNY-KRWDZBQOSA-N 1 0 361.493 4.368 50 0 FIAARO O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1 ZINC000024668260 570979697 /nfs/dbraw/zinc/97/96/97/570979697.db2.gz ZNOCGZQNPSSOAI-HNNXBMFYSA-N 1 0 367.424 4.175 50 0 FIAARO CC(C)c1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c2ccccc2n1 ZINC000025813483 571000610 /nfs/dbraw/zinc/00/06/10/571000610.db2.gz NSOYXZVTAGRAMP-FQEVSTJZSA-N 1 0 367.518 4.452 50 0 FIAARO Cc1ccc([C@@H](c2ccccc2C)[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000072260010 571002025 /nfs/dbraw/zinc/00/20/25/571002025.db2.gz MQDQEOTYSYNVOD-QFIPXVFZSA-N 1 0 350.506 4.193 50 0 FIAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662539 571016944 /nfs/dbraw/zinc/01/69/44/571016944.db2.gz DJZMPMHSSDJUKS-IBGZPJMESA-N 1 0 372.534 4.169 50 0 FIAARO Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027662563 571017173 /nfs/dbraw/zinc/01/71/73/571017173.db2.gz IWFGECMEAXWAAS-SFHVURJKSA-N 1 0 372.534 4.169 50 0 FIAARO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662755 571017298 /nfs/dbraw/zinc/01/72/98/571017298.db2.gz LKIMYFHDLCWDES-LJQANCHMSA-N 1 0 372.534 4.033 50 0 FIAARO CCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027741247 571019449 /nfs/dbraw/zinc/01/94/49/571019449.db2.gz QCVXQFZRGUKSOG-SFHVURJKSA-N 1 0 372.534 4.494 50 0 FIAARO Brc1ccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)cc1 ZINC000027789161 571021149 /nfs/dbraw/zinc/02/11/49/571021149.db2.gz CTXGAVQUKPIMLY-UHFFFAOYSA-N 1 0 370.294 4.443 50 0 FIAARO Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027793103 571021227 /nfs/dbraw/zinc/02/12/27/571021227.db2.gz PAOGETRXILQXDJ-FQEVSTJZSA-N 1 0 356.897 4.144 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(OC)cc1)c1ccccc1Cl ZINC000027794421 571021632 /nfs/dbraw/zinc/02/16/32/571021632.db2.gz KJXIUBZOMATXLF-HXUWFJFHSA-N 1 0 374.912 4.090 50 0 biogenic FIAARO COc1ccc([C@H](CNC(=O)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000028247793 571028425 /nfs/dbraw/zinc/02/84/25/571028425.db2.gz ZWKYBEYAVNJUMB-IBGZPJMESA-N 1 0 373.884 4.307 50 0 FIAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c1 ZINC000028292001 571030538 /nfs/dbraw/zinc/03/05/38/571030538.db2.gz DEDQAUFNDQXMNV-QFIPXVFZSA-N 1 0 366.505 4.026 50 0 FIAARO Cc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000038489575 571043636 /nfs/dbraw/zinc/04/36/36/571043636.db2.gz XUKDMNOFGLGFHP-UHFFFAOYSA-N 1 0 351.494 4.337 50 0 FIAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3CC)c(=O)c2c1 ZINC000008714119 571056965 /nfs/dbraw/zinc/05/69/65/571056965.db2.gz OAYGFIBVRGGAQX-MRXNPFEDSA-N 1 0 356.466 4.190 50 0 FIAARO CC[NH+](CC)CCOC1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000072305614 571061506 /nfs/dbraw/zinc/06/15/06/571061506.db2.gz VELAYUPYUZNUOP-UHFFFAOYSA-N 1 0 359.341 4.316 50 0 FIAARO CCn1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000040017425 571068246 /nfs/dbraw/zinc/06/82/46/571068246.db2.gz KLBHEVVGRDSOEA-UHFFFAOYSA-N 1 0 361.489 4.009 50 0 FIAARO COc1cccc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000040107915 571078199 /nfs/dbraw/zinc/07/81/99/571078199.db2.gz QLUICGRKRIDLEV-KRWDZBQOSA-N 1 0 352.478 4.108 50 0 FIAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000040112679 571079351 /nfs/dbraw/zinc/07/93/51/571079351.db2.gz WUIJLCLFZKWXPG-OAHLLOKOSA-N 1 0 373.928 4.439 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000040120492 571080569 /nfs/dbraw/zinc/08/05/69/571080569.db2.gz CKFHTRNHNHLVIV-AWEZNQCLSA-N 1 0 355.429 4.064 50 0 FIAARO COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000032983599 571082844 /nfs/dbraw/zinc/08/28/44/571082844.db2.gz ZMGXAURLYSWZFQ-HXUWFJFHSA-N 1 0 366.436 4.020 50 0 FIAARO O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000040160811 571089782 /nfs/dbraw/zinc/08/97/82/571089782.db2.gz GPAWKVXHDRFKME-FQEVSTJZSA-N 1 0 365.477 4.037 50 0 FIAARO CC(C)N(C)c1cccc(NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000084597197 571091305 /nfs/dbraw/zinc/09/13/05/571091305.db2.gz CDYATLYZAFGQNR-UHFFFAOYSA-N 1 0 372.488 4.054 50 0 FIAARO C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000229845159 571095276 /nfs/dbraw/zinc/09/52/76/571095276.db2.gz JVJPAORAUCDFDI-HOTGVXAUSA-N 1 0 374.916 4.259 50 0 FIAARO CCc1cc2c(ncn(CC[C@H]3CCCC[N@@H+]3C3CCCC3)c2=O)s1 ZINC000043125157 571099853 /nfs/dbraw/zinc/09/98/53/571099853.db2.gz ASKOIJSWVDMLIS-MRXNPFEDSA-N 1 0 359.539 4.208 50 0 FIAARO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044932209 571104803 /nfs/dbraw/zinc/10/48/03/571104803.db2.gz MMBVCERWXTUMLQ-UHFFFAOYSA-N 1 0 366.505 4.002 50 0 FIAARO Cc1ccc(C2=[NH+]CCc3nc4ccccc4n3C(=C(Cl)Cl)N2)cc1 ZINC000041097518 571107321 /nfs/dbraw/zinc/10/73/21/571107321.db2.gz CQTGAMBKIOHQFQ-UHFFFAOYSA-N 1 0 371.271 4.498 50 0 FIAARO COc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2ccc(C)c(F)c2)c(OC)c1 ZINC000244852998 571117707 /nfs/dbraw/zinc/11/77/07/571117707.db2.gz VDIJGNHWUCBARB-HNNXBMFYSA-N 1 0 374.456 4.173 50 0 FIAARO Cn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000009942212 571121329 /nfs/dbraw/zinc/12/13/29/571121329.db2.gz VUJFVAQSDDPAHG-UHFFFAOYSA-N 1 0 368.525 4.468 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000010017946 571122235 /nfs/dbraw/zinc/12/22/35/571122235.db2.gz UWRBRSBRLUORDC-QGZVFWFLSA-N 1 0 350.384 4.047 50 0 FIAARO CC(C)Oc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000010281336 571124554 /nfs/dbraw/zinc/12/45/54/571124554.db2.gz FMAXQGODPCRHLJ-UHFFFAOYSA-N 1 0 366.505 4.390 50 0 FIAARO Cc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(Br)c1 ZINC000058054083 571124753 /nfs/dbraw/zinc/12/47/53/571124753.db2.gz MWFWDGFGHZTGRL-UHFFFAOYSA-N 1 0 368.319 4.096 50 0 FIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000058415004 571132674 /nfs/dbraw/zinc/13/26/74/571132674.db2.gz DJDXTDLKAKKTDQ-UHFFFAOYSA-N 1 0 368.864 4.350 50 0 FIAARO Fc1cc(-c2cccs2)ccc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000075126246 571156365 /nfs/dbraw/zinc/15/63/65/571156365.db2.gz OAJZXIVEDJIWBN-CQSZACIVSA-N 1 0 358.404 4.280 50 0 FIAARO Cn1cc([C@H](CNC(=O)Nc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000075149225 571156820 /nfs/dbraw/zinc/15/68/20/571156820.db2.gz NHJYSWILEADZJV-IBGZPJMESA-N 1 0 370.884 4.256 50 0 FIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(OC)c(OC)c3)n2C)cc1 ZINC000004678877 571158448 /nfs/dbraw/zinc/15/84/48/571158448.db2.gz QJJVQCDVJMRDKQ-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO COc1ccc(-c2c[nH+]c(NCc3cccc(Br)c3)n2C)cc1 ZINC000004678623 571158458 /nfs/dbraw/zinc/15/84/58/571158458.db2.gz AOYDHLQHLYTJCY-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO CCOc1ccc(CNc2[nH+]cc(-c3cccc(OC)c3)n2C)cc1OC ZINC000004678562 571158545 /nfs/dbraw/zinc/15/85/45/571158545.db2.gz LPYSCWLLFYFEBS-UHFFFAOYSA-N 1 0 367.449 4.115 50 0 FIAARO Cc1ccccc1[C@](CC[NH+]1CCCCC1)(C(N)=O)c1c(C)cccc1C ZINC000075280202 571159657 /nfs/dbraw/zinc/15/96/57/571159657.db2.gz VDKQSUNYNKZXLW-DEOSSOPVSA-N 1 0 364.533 4.259 50 0 FIAARO CCc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000004700190 571163788 /nfs/dbraw/zinc/16/37/88/571163788.db2.gz LFZLNELXDFXYDT-UHFFFAOYSA-N 1 0 350.506 4.086 50 0 FIAARO CCOc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000001179401 571164979 /nfs/dbraw/zinc/16/49/79/571164979.db2.gz MWSURKVSKPIOGZ-UHFFFAOYSA-N 1 0 358.526 4.136 50 0 FIAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@H]1CCCCO1)CC2 ZINC000024787414 571166477 /nfs/dbraw/zinc/16/64/77/571166477.db2.gz IVBSQJXXVFTDNJ-IIBYNOLFSA-N 1 0 373.518 4.282 50 0 FIAARO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCCC2)CC[C@]1(O)c1ccccc1 ZINC000004721470 571169158 /nfs/dbraw/zinc/16/91/58/571169158.db2.gz LNTVSDPXHOIVLW-VWNXMTODSA-N 1 0 363.501 4.412 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000575618671 571171269 /nfs/dbraw/zinc/17/12/69/571171269.db2.gz AWDHGVAYLARJQU-HNNXBMFYSA-N 1 0 365.458 4.075 50 0 FIAARO CC(C)(C)CC(=O)N1CCC2(CC1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000072173973 571177629 /nfs/dbraw/zinc/17/76/29/571177629.db2.gz WGYHWFLGQKXBPB-UHFFFAOYSA-N 1 0 368.565 4.295 50 0 FIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000229793866 571178089 /nfs/dbraw/zinc/17/80/89/571178089.db2.gz UQRSQANWYFCMSK-RCCFBDPRSA-N 1 0 374.491 4.326 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1c(F)cccc1Cl ZINC000043971749 571178137 /nfs/dbraw/zinc/17/81/37/571178137.db2.gz UMXRZHKPFRVGFQ-UHFFFAOYSA-N 1 0 366.889 4.183 50 0 FIAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(Cl)nc2ccccc21 ZINC000060106920 571180133 /nfs/dbraw/zinc/18/01/33/571180133.db2.gz OHQRETGYTHWFBJ-CQSZACIVSA-N 1 0 357.885 4.025 50 0 FIAARO O=C1CCC(=O)N1C1CCC([NH2+][C@H]2CCCC[C@H]2C2=CCCCC2)CC1 ZINC000090854797 571189801 /nfs/dbraw/zinc/18/98/01/571189801.db2.gz WUBLBBMREYEIKM-GUMHCPJTSA-N 1 0 358.526 4.095 50 0 FIAARO COc1cccc2ccc(N[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)nc21 ZINC000072427973 571194866 /nfs/dbraw/zinc/19/48/66/571194866.db2.gz PYVQHZUTEXVRJT-HXUWFJFHSA-N 1 0 373.500 4.287 50 0 FIAARO O=C1CC[C@@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1Cc1ccncc1 ZINC000072473294 571198709 /nfs/dbraw/zinc/19/87/09/571198709.db2.gz GEAANTHNFSBIDV-HSZRJFAPSA-N 1 0 369.553 4.257 50 0 FIAARO Cc1nc(-c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)cs1 ZINC000072474323 571199022 /nfs/dbraw/zinc/19/90/22/571199022.db2.gz ZKZBWTJZEHRJNA-UHFFFAOYSA-N 1 0 370.909 4.231 50 0 FIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(F)c2F)cc1 ZINC000077343539 571208341 /nfs/dbraw/zinc/20/83/41/571208341.db2.gz BRBYQDYMVZORKW-LJQANCHMSA-N 1 0 358.432 4.394 50 0 FIAARO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000006587731 571210516 /nfs/dbraw/zinc/21/05/16/571210516.db2.gz YDNOWTUPSNIEFG-QFBILLFUSA-N 1 0 365.477 4.046 50 0 FIAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](Cc1cccs1)CC2 ZINC000077489430 571213723 /nfs/dbraw/zinc/21/37/23/571213723.db2.gz XFQHIGREJXZTKF-UHFFFAOYSA-N 1 0 374.937 4.416 50 0 FIAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(-c3ccc4cc[nH]c4c3)cc1)CC2 ZINC000426405458 571220910 /nfs/dbraw/zinc/22/09/10/571220910.db2.gz FSSMDJQLGZVYPH-UHFFFAOYSA-N 1 0 373.500 4.393 50 0 FIAARO CC(C)[N@@H+]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc2ccccc2n1 ZINC000426415697 571222262 /nfs/dbraw/zinc/22/22/62/571222262.db2.gz XLQAPIJKRCRFNY-FQEVSTJZSA-N 1 0 368.525 4.029 50 0 FIAARO Cc1ccc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)c(C)n1 ZINC000426470550 571226521 /nfs/dbraw/zinc/22/65/21/571226521.db2.gz HMKSODQFAABDIW-KRWDZBQOSA-N 1 0 363.505 4.064 50 0 FIAARO Cc1nc(C[N@@H+]2CCC[C@H](Nc3ccc(Cl)cn3)CC2)c2ccccn12 ZINC000082097022 571228092 /nfs/dbraw/zinc/22/80/92/571228092.db2.gz QXAOFLNTAPYCAC-KRWDZBQOSA-N 1 0 369.900 4.158 50 0 FIAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccs3)C2)CN1CCc1ccccc1 ZINC000082121470 571228827 /nfs/dbraw/zinc/22/88/27/571228827.db2.gz VMVGJRJBEMTZOO-QFIPXVFZSA-N 1 0 368.546 4.195 50 0 FIAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)NCCC2=CCCCC2)cc1 ZINC000426674246 571234834 /nfs/dbraw/zinc/23/48/34/571234834.db2.gz PSUUUJFPRFECFJ-OAQYLSRUSA-N 1 0 355.526 4.485 50 0 FIAARO CC(=O)CCc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624658 571237658 /nfs/dbraw/zinc/23/76/58/571237658.db2.gz GQRMDNLGTXJRTK-JOCHJYFZSA-N 1 0 352.478 4.209 50 0 biogenic FIAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1C1CCCC1 ZINC000091587083 571240698 /nfs/dbraw/zinc/24/06/98/571240698.db2.gz ZVJNBHBWDGZJSV-UHFFFAOYSA-N 1 0 360.929 4.487 50 0 FIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)cc1 ZINC000036095292 571240878 /nfs/dbraw/zinc/24/08/78/571240878.db2.gz HBRZBHOIAPXPHX-QFIPXVFZSA-N 1 0 371.521 4.121 50 0 FIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)Cc2ccccc2)c1OC ZINC000036097292 571241171 /nfs/dbraw/zinc/24/11/71/571241171.db2.gz QQHYDPMQAHIWPR-NRFANRHFSA-N 1 0 371.521 4.156 50 0 FIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036100038 571241669 /nfs/dbraw/zinc/24/16/69/571241669.db2.gz SANORVMSNZTMIF-QHCPKHFHSA-N 1 0 355.522 4.421 50 0 FIAARO CCOc1cc(Cl)c(C[N@@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc1OC ZINC000091645745 571241797 /nfs/dbraw/zinc/24/17/97/571241797.db2.gz XTNDHAPZNFJQFW-VLIAUNLRSA-N 1 0 367.917 4.120 50 0 FIAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103313 571242298 /nfs/dbraw/zinc/24/22/98/571242298.db2.gz GXGMBBHZALCCIW-NRFANRHFSA-N 1 0 367.514 4.328 50 0 FIAARO CC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1 ZINC000091691215 571242281 /nfs/dbraw/zinc/24/22/81/571242281.db2.gz RESZQSLLIJTHBV-NZQKXSOJSA-N 1 0 366.480 4.125 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169678023 571247016 /nfs/dbraw/zinc/24/70/16/571247016.db2.gz VVFBVXIKWUPQFJ-NZQKXSOJSA-N 1 0 355.522 4.482 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000169681885 571247083 /nfs/dbraw/zinc/24/70/83/571247083.db2.gz BMEANQPHAINZRF-AZUAARDMSA-N 1 0 357.494 4.044 50 0 FIAARO CCCC[NH+](CCCC)CCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000006809358 571247564 /nfs/dbraw/zinc/24/75/64/571247564.db2.gz XFUQOSOGWOGUGN-UHFFFAOYSA-N 1 0 374.916 4.433 50 0 FIAARO CCCC[N@H+](CC)CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000006809344 571247630 /nfs/dbraw/zinc/24/76/30/571247630.db2.gz BWSMFCYUEWRZOZ-UHFFFAOYSA-N 1 0 360.889 4.043 50 0 FIAARO O=C(Nc1ccc(F)cc1)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000006877410 571252138 /nfs/dbraw/zinc/25/21/38/571252138.db2.gz LNPDDMJCHGQPHQ-QGZVFWFLSA-N 1 0 367.468 4.128 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000036400871 571253441 /nfs/dbraw/zinc/25/34/41/571253441.db2.gz CRLAIAQPBJRWEB-XMSQKQJNSA-N 1 0 366.505 4.326 50 0 FIAARO CSc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000036700665 571261431 /nfs/dbraw/zinc/26/14/31/571261431.db2.gz OUAYCNYCDMFWCJ-UHFFFAOYSA-N 1 0 354.519 4.243 50 0 FIAARO CSc1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000036875387 571263562 /nfs/dbraw/zinc/26/35/62/571263562.db2.gz HXJUOPFTSZEXIB-HNNXBMFYSA-N 1 0 360.910 4.066 50 0 FIAARO Clc1ccc(CCCC[N@@H+]2CCOC3(CCOCC3)C2)cc1Cl ZINC000170600007 571266906 /nfs/dbraw/zinc/26/69/06/571266906.db2.gz XSSGHADZSNRQDT-UHFFFAOYSA-N 1 0 358.309 4.198 50 0 FIAARO CC(C)n1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000170613468 571267995 /nfs/dbraw/zinc/26/79/95/571267995.db2.gz ONWYPDKTCIPTDT-UXHICEINSA-N 1 0 353.510 4.217 50 0 FIAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000170625356 571269343 /nfs/dbraw/zinc/26/93/43/571269343.db2.gz MHQXBXQDXLYZAM-HTAPYJJXSA-N 1 0 365.521 4.041 50 0 biogenic FIAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3cc(C)cc(C)c3)C2)cc1 ZINC000006819321 571272084 /nfs/dbraw/zinc/27/20/84/571272084.db2.gz COLANWJOGNIFBV-HXUWFJFHSA-N 1 0 351.494 4.255 50 0 FIAARO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089927466 571274130 /nfs/dbraw/zinc/27/41/30/571274130.db2.gz YZTZSPKENDEKTI-IRXDYDNUSA-N 1 0 351.494 4.047 50 0 FIAARO CC(C)CC[N@@H+]1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037356553 571274930 /nfs/dbraw/zinc/27/49/30/571274930.db2.gz VSWVHWGNPLDBIN-MRXNPFEDSA-N 1 0 374.916 4.479 50 0 FIAARO CC[NH+](CC)CCc1ccc(NC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000252501320 571281312 /nfs/dbraw/zinc/28/13/12/571281312.db2.gz UDZKGMJUWWAOAY-UHFFFAOYSA-N 1 0 359.558 4.020 50 0 FIAARO CCOC(=O)c1c(CSCC[NH+](CC)CC)oc2ccc(OC)cc21 ZINC000002208161 571284652 /nfs/dbraw/zinc/28/46/52/571284652.db2.gz CORPGBHJCUPYKW-UHFFFAOYSA-N 1 0 365.495 4.193 50 0 FIAARO O[C@@H](c1ccc(Br)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000002333337 571318207 /nfs/dbraw/zinc/31/82/07/571318207.db2.gz PKEBDCQVVWGBKG-MOPGFXCFSA-N 1 0 360.295 4.362 50 0 FIAARO CCOC(=O)[C@]1(CCCc2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000012373732 571318691 /nfs/dbraw/zinc/31/86/91/571318691.db2.gz SDAFDLHVLJZYSF-HSZRJFAPSA-N 1 0 366.505 4.250 50 0 FIAARO CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000095402773 571329289 /nfs/dbraw/zinc/32/92/89/571329289.db2.gz GTCXZNIJGBHSSQ-UWJYYQICSA-N 1 0 352.478 4.387 50 0 FIAARO Nc1ccc(F)c(NC(=O)CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000095409279 571329386 /nfs/dbraw/zinc/32/93/86/571329386.db2.gz PYANRDIOODUMIH-IBGZPJMESA-N 1 0 361.848 4.131 50 0 FIAARO CCCCOc1ccc(C[N@@H+]2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000095453839 571329909 /nfs/dbraw/zinc/32/99/09/571329909.db2.gz MJOHLZYPDJSVEG-UHFFFAOYSA-N 1 0 373.566 4.338 50 0 FIAARO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)cc1OCC1CC1 ZINC000095989238 571333544 /nfs/dbraw/zinc/33/35/44/571333544.db2.gz FGOSSAKNMKYADT-NYHFZMIOSA-N 1 0 373.468 4.489 50 0 FIAARO CCNC(=O)OCCCCC[NH+]1CCC(c2ccccc2OCC)CC1 ZINC000096026732 571334110 /nfs/dbraw/zinc/33/41/10/571334110.db2.gz LWJOPMLAKJQDSS-UHFFFAOYSA-N 1 0 362.514 4.181 50 0 FIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(F)c(F)cc1Cl ZINC000021639447 571335270 /nfs/dbraw/zinc/33/52/70/571335270.db2.gz OCUXSIPNCQUHSW-UHFFFAOYSA-N 1 0 366.839 4.390 50 0 FIAARO Cc1cc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c(C)c1 ZINC000002934055 571341972 /nfs/dbraw/zinc/34/19/72/571341972.db2.gz WDDANUKCLVOFLY-SFHVURJKSA-N 1 0 370.566 4.328 50 0 FIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccccn1 ZINC000003025914 571343613 /nfs/dbraw/zinc/34/36/13/571343613.db2.gz HGXPYQCYZHTZBV-QGZVFWFLSA-N 1 0 356.539 4.020 50 0 FIAARO CC(C)[N@H+](C)C1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000003042010 571343960 /nfs/dbraw/zinc/34/39/60/571343960.db2.gz AWFDHOWAPIVVNZ-UHFFFAOYSA-N 1 0 360.354 4.495 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccco1 ZINC000003047167 571344045 /nfs/dbraw/zinc/34/40/45/571344045.db2.gz REHJFZLWNJKHCF-MRXNPFEDSA-N 1 0 359.539 4.472 50 0 FIAARO C[NH+](C)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000003192659 571345410 /nfs/dbraw/zinc/34/54/10/571345410.db2.gz AICNPCABIMNBQK-KRWDZBQOSA-N 1 0 354.277 4.022 50 0 FIAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000003205148 571345504 /nfs/dbraw/zinc/34/55/04/571345504.db2.gz GUNQOZRFBCLYMX-DEOSSOPVSA-N 1 0 373.496 4.212 50 0 FIAARO C[C@H](NC(=O)c1ccc(F)cc1Cl)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003261396 571346306 /nfs/dbraw/zinc/34/63/06/571346306.db2.gz QWEKCQFTYATLDE-YVEFUNNKSA-N 1 0 366.889 4.496 50 0 FIAARO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000003347622 571347970 /nfs/dbraw/zinc/34/79/70/571347970.db2.gz GUUNSUFKFQVCAM-UHFFFAOYSA-N 1 0 353.535 4.254 50 0 FIAARO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCc4c[nH]nc4C2)CCC3)cc1 ZINC000484516013 571351816 /nfs/dbraw/zinc/35/18/16/571351816.db2.gz YYNWACLCMZBIJC-DLBZAZTESA-N 1 0 364.518 4.366 50 0 FIAARO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCc4c[nH]nc4C2)CCC3)cc1 ZINC000484516015 571351840 /nfs/dbraw/zinc/35/18/40/571351840.db2.gz YYNWACLCMZBIJC-IRXDYDNUSA-N 1 0 364.518 4.366 50 0 FIAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000031536788 571352739 /nfs/dbraw/zinc/35/27/39/571352739.db2.gz OPHKOIPROXGCFT-UHFFFAOYSA-N 1 0 360.461 4.315 50 0 FIAARO C[C@H](Nc1ccc([NH+]2CCCCCC2)cc1)C(=O)N1CCc2ccccc21 ZINC000008133977 571359375 /nfs/dbraw/zinc/35/93/75/571359375.db2.gz HIGYNHOOMUIOPA-SFHVURJKSA-N 1 0 363.505 4.457 50 0 FIAARO CC(C)CC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000581802461 1084614599 /nfs/dbraw/zinc/61/45/99/1084614599.db2.gz KHSUMIYLWRYITE-QFIPXVFZSA-N 1 0 369.553 4.426 50 0 FIAARO C[NH2+]C1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000237136366 1085073734 /nfs/dbraw/zinc/07/37/34/1085073734.db2.gz OGBMIBZOCYBZDP-UHFFFAOYSA-N 1 0 362.832 4.095 50 0 FIAARO O=C(NCc1ccncc1)c1ccc([C@H]2CCCN2Cc2ccco2)s1 ZINC000019812969 1089595227 /nfs/dbraw/zinc/59/52/27/1089595227.db2.gz HEXHBPBBWQMXFQ-QGZVFWFLSA-N 1 0 367.474 4.003 50 0 FIAARO Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2nc3c(s2)CCCC3)C1 ZINC000020418694 1089666720 /nfs/dbraw/zinc/66/67/20/1089666720.db2.gz QQKXAAOGKGTBQF-CQSZACIVSA-N 1 0 360.548 4.487 50 0 FIAARO Oc1cccc(C[N@@H+]2CC3(C[C@H]2COc2ccncc2)CCCCC3)c1 ZINC000257191139 1090323308 /nfs/dbraw/zinc/32/33/08/1090323308.db2.gz PCDRLGPIZRKGST-IBGZPJMESA-N 1 0 352.478 4.391 50 0 FIAARO O=C(C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1)N1CCCCC1 ZINC000162639385 1091182843 /nfs/dbraw/zinc/18/28/43/1091182843.db2.gz YSTJYIIAYZQGFB-UHFFFAOYSA-N 1 0 361.555 4.025 50 0 FIAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)Nc1cccc(F)c1)CCO2 ZINC000169779308 1115682902 /nfs/dbraw/zinc/68/29/02/1115682902.db2.gz KKQPBXCVIJBIRK-UHFFFAOYSA-N 1 0 371.456 4.094 50 0 FIAARO CC(C)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(C(C)C)cc3)CC2)O1 ZINC000011782625 1125111981 /nfs/dbraw/zinc/11/19/81/1125111981.db2.gz FTKJAROQDIKNQQ-OAQYLSRUSA-N 1 0 372.553 4.096 50 0 FIAARO CCOC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000000757914 219318876 /nfs/dbraw/zinc/31/88/76/219318876.db2.gz SHBQBJCROSLCCC-OAQYLSRUSA-N 1 0 352.478 4.181 50 0 FIAARO COc1ccc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000818019 219326082 /nfs/dbraw/zinc/32/60/82/219326082.db2.gz AYMYUXZBTYZYRV-UHFFFAOYSA-N 1 0 350.300 4.372 50 0 FIAARO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1 ZINC000000858822 219331988 /nfs/dbraw/zinc/33/19/88/219331988.db2.gz ZUPRUYKDNMXKSG-UHFFFAOYSA-N 1 0 360.461 4.060 50 0 biogenic FIAARO CC1(C)CC(Nc2ncnc3ccc(Br)cc32)CC(C)(C)[NH2+]1 ZINC000000951939 219346991 /nfs/dbraw/zinc/34/69/91/219346991.db2.gz ZEAOPKYYJHGEJF-UHFFFAOYSA-N 1 0 363.303 4.113 50 0 FIAARO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000000978084 219349175 /nfs/dbraw/zinc/34/91/75/219349175.db2.gz UFHWOVCVCKOHGI-PKOBYXMFSA-N 1 0 364.272 4.016 50 0 FIAARO C[n+]1cccc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002208450 219431560 /nfs/dbraw/zinc/43/15/60/219431560.db2.gz QARZSYZJDVOGIV-QGZVFWFLSA-N 1 0 350.269 4.185 50 0 FIAARO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)COc1ccc2ccccc2c1 ZINC000003383818 219505886 /nfs/dbraw/zinc/50/58/86/219505886.db2.gz HTUFETLGSIIEPM-FQEVSTJZSA-N 1 0 355.865 4.065 50 0 FIAARO COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(OC)cc1)=[N+]2C ZINC000004313476 219563728 /nfs/dbraw/zinc/56/37/28/219563728.db2.gz MUBAJBQWVGFGPA-MDWZMJQESA-N 1 0 350.438 4.201 50 0 FIAARO C[NH+](C)CCCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000005348797 219672781 /nfs/dbraw/zinc/67/27/81/219672781.db2.gz PFMILCZJCYKEIP-UHFFFAOYSA-N 1 0 352.394 4.106 50 0 FIAARO CC(C)(C)[NH2+]C/C=C(/Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000006669986 219745428 /nfs/dbraw/zinc/74/54/28/219745428.db2.gz CKUDSVRGAVWIRI-NBVRZTHBSA-N 1 0 365.506 4.184 50 0 FIAARO C[C@@H]1c2cccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2O[C@H]1C ZINC000008389199 219861447 /nfs/dbraw/zinc/86/14/47/219861447.db2.gz RPJZVWPRBTXCKE-IRXDYDNUSA-N 1 0 364.489 4.097 50 0 FIAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc2[nH]ccc2c1 ZINC000299757984 223082742 /nfs/dbraw/zinc/08/27/42/223082742.db2.gz JGCKKBVORPXGKM-GOSISDBHSA-N 1 0 362.477 4.202 50 0 FIAARO O=C(CC[NH+]1CCCCCC1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000299779107 223093889 /nfs/dbraw/zinc/09/38/89/223093889.db2.gz PTNJNTKQHVUUPW-NRFANRHFSA-N 1 0 371.912 4.207 50 0 FIAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccccc2OCCCc2ccccc2)CC1 ZINC000299796058 223101830 /nfs/dbraw/zinc/10/18/30/223101830.db2.gz NXOFBBQTYYAVDY-LJQANCHMSA-N 1 0 367.493 4.043 50 0 FIAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC000011788565 219931877 /nfs/dbraw/zinc/93/18/77/219931877.db2.gz PMZPLDSUGXJOSU-JOCHJYFZSA-N 1 0 368.565 4.418 50 0 FIAARO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1ccccc1)C1CCCCC1 ZINC000012521137 220001813 /nfs/dbraw/zinc/00/18/13/220001813.db2.gz FNDFVWLCSMIXKV-UHFFFAOYSA-N 1 0 372.534 4.393 50 0 FIAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2c(C)nc3ccccc32)c1 ZINC000012541288 220004754 /nfs/dbraw/zinc/00/47/54/220004754.db2.gz YBYOCKDQBCEQEQ-IBGZPJMESA-N 1 0 351.450 4.157 50 0 FIAARO Cn1cc(C[NH+]2CCC(CO)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012571887 220007857 /nfs/dbraw/zinc/00/78/57/220007857.db2.gz UENSZLKVFVKDBS-UHFFFAOYSA-N 1 0 367.537 4.339 50 0 FIAARO Cn1cc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(-c2cccc(Cl)c2)n1 ZINC000012591244 220010361 /nfs/dbraw/zinc/01/03/61/220010361.db2.gz HTZJZNRAVQERNQ-LJQANCHMSA-N 1 0 367.880 4.176 50 0 FIAARO O=C(C1CCCC1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012595294 220011021 /nfs/dbraw/zinc/01/10/21/220011021.db2.gz FZMCCEFLVDLNFS-HSZRJFAPSA-N 1 0 354.538 4.124 50 0 FIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012597686 220012026 /nfs/dbraw/zinc/01/20/26/220012026.db2.gz VINANCUAJXIRCO-LJQANCHMSA-N 1 0 361.551 4.160 50 0 FIAARO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1ccccc1-c1ccco1)C2 ZINC000012597800 220012504 /nfs/dbraw/zinc/01/25/04/220012504.db2.gz UDOWUZCQDJIZGI-HSZRJFAPSA-N 1 0 364.489 4.171 50 0 FIAARO CCCn1ncc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1C ZINC000012710371 220019971 /nfs/dbraw/zinc/01/99/71/220019971.db2.gz XOJVPERMIPEYBS-ZDUSSCGKSA-N 1 0 373.451 4.225 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2C)[NH+]2CCCCC2)cc1 ZINC000012754898 220024758 /nfs/dbraw/zinc/02/47/58/220024758.db2.gz KHWFNFNEJQLIDV-JOCHJYFZSA-N 1 0 366.505 4.269 50 0 FIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000012788024 220030527 /nfs/dbraw/zinc/03/05/27/220030527.db2.gz DMNDUPZFTARMOY-PXAZEXFGSA-N 1 0 359.267 4.053 50 0 FIAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)o1 ZINC000012798146 220031050 /nfs/dbraw/zinc/03/10/50/220031050.db2.gz HPICLOFKJZZLCS-OJAWGZOXSA-N 1 0 369.505 4.290 50 0 FIAARO C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccco4)[NH+](C)C)c32)C1 ZINC000012856400 220035832 /nfs/dbraw/zinc/03/58/32/220035832.db2.gz FXFXNZBMQSIEAG-JSGCOSHPSA-N 1 0 356.495 4.124 50 0 FIAARO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 ZINC000012885302 220038988 /nfs/dbraw/zinc/03/89/88/220038988.db2.gz DRGGEXIIJYRJAU-AWEZNQCLSA-N 1 0 356.267 4.486 50 0 FIAARO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2n1 ZINC000012899936 220039944 /nfs/dbraw/zinc/03/99/44/220039944.db2.gz VJTKGSBPTXATDE-FQEVSTJZSA-N 1 0 363.461 4.093 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(SC(F)F)cc1)c1cccc(F)c1 ZINC000012952822 220046327 /nfs/dbraw/zinc/04/63/27/220046327.db2.gz VNRHUKKBWXPUJN-INIZCTEOSA-N 1 0 368.424 4.173 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000012987534 220049544 /nfs/dbraw/zinc/04/95/44/220049544.db2.gz CQONTXQPANSLNX-LAUBAEHRSA-N 1 0 352.478 4.052 50 0 FIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 ZINC000014602434 220127511 /nfs/dbraw/zinc/12/75/11/220127511.db2.gz HOPMMYOCZAENTN-QHCPKHFHSA-N 1 0 370.496 4.209 50 0 FIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2CCOC)c(C)o1 ZINC000014979153 220138472 /nfs/dbraw/zinc/13/84/72/220138472.db2.gz GPOKTDIWUUYVRW-KRWDZBQOSA-N 1 0 358.482 4.440 50 0 FIAARO CCC(CC)C(=O)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000014993229 220140124 /nfs/dbraw/zinc/14/01/24/220140124.db2.gz WBCJDSUFNSFMEM-UHFFFAOYSA-N 1 0 372.553 4.479 50 0 FIAARO O=C(CCCc1cccs1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015071909 220146375 /nfs/dbraw/zinc/14/63/75/220146375.db2.gz OPALAZWAWVTJHU-FQEVSTJZSA-N 1 0 370.562 4.284 50 0 FIAARO Cc1c([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000015076371 220147471 /nfs/dbraw/zinc/14/74/71/220147471.db2.gz VVFKKUAXZPSMDX-IBGZPJMESA-N 1 0 374.532 4.496 50 0 FIAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000015069146 220144945 /nfs/dbraw/zinc/14/49/45/220144945.db2.gz BLFKYZKXCOZFLP-NRFANRHFSA-N 1 0 372.896 4.123 50 0 FIAARO Cc1ccc(C)c(-n2cc(C[NH2+]C3CCN(C)CC3)c(-c3ccccc3)n2)c1 ZINC000015073958 220145329 /nfs/dbraw/zinc/14/53/29/220145329.db2.gz RQNDZLVHUNYRHZ-UHFFFAOYSA-N 1 0 374.532 4.340 50 0 FIAARO CSc1ccc(Cl)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000015582532 220156174 /nfs/dbraw/zinc/15/61/74/220156174.db2.gz DWUPQFNNTMMIQL-UHFFFAOYSA-N 1 0 374.937 4.456 50 0 FIAARO Cc1ccc2nc3sc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3cc2c1 ZINC000015784569 220165715 /nfs/dbraw/zinc/16/57/15/220165715.db2.gz XWUYDSKGLHYRRX-HNNXBMFYSA-N 1 0 367.518 4.362 50 0 FIAARO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860321 220169066 /nfs/dbraw/zinc/16/90/66/220169066.db2.gz IKSKEGOPXQCTIU-SFHVURJKSA-N 1 0 360.885 4.444 50 0 FIAARO Cc1ccc2c(C[N@H+](C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1 ZINC000016587291 220187581 /nfs/dbraw/zinc/18/75/81/220187581.db2.gz SQQKAFJSXLRWFK-UHFFFAOYSA-N 1 0 359.372 4.335 50 0 FIAARO c1csc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCCO4)cc2)c1 ZINC000016577896 220188091 /nfs/dbraw/zinc/18/80/91/220188091.db2.gz DDPOWRZOFDJRHP-UHFFFAOYSA-N 1 0 367.470 4.388 50 0 FIAARO CC[NH+](CC)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000018125783 220225298 /nfs/dbraw/zinc/22/52/98/220225298.db2.gz SEMFKNVFKSUDSC-UHFFFAOYSA-N 1 0 351.494 4.037 50 0 FIAARO CC1CCC([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000019361670 220252704 /nfs/dbraw/zinc/25/27/04/220252704.db2.gz QAFXUFKOGYJUAS-UHFFFAOYSA-N 1 0 351.332 4.145 50 0 FIAARO COc1cc(-c2nc(CN3CCOc4ccccc4C3)c(C)o2)ccc1F ZINC000019535272 220268777 /nfs/dbraw/zinc/26/87/77/220268777.db2.gz BIWBTDIXBKHENV-UHFFFAOYSA-N 1 0 368.408 4.192 50 0 FIAARO CCOc1ccccc1-c1n[nH]c2c1C[N@H+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC000020783541 220341306 /nfs/dbraw/zinc/34/13/06/220341306.db2.gz YVXWIJGJJOVUBK-INIZCTEOSA-N 1 0 369.509 4.039 50 0 FIAARO CC1CC[NH+](Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 ZINC000020893147 220344485 /nfs/dbraw/zinc/34/44/85/220344485.db2.gz JBHBAEDOEXMZOF-UHFFFAOYSA-N 1 0 368.525 4.324 50 0 FIAARO CCC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169770 220355083 /nfs/dbraw/zinc/35/50/83/220355083.db2.gz UOXZQEYPNAMLJI-XZOQPEGZSA-N 1 0 353.506 4.099 50 0 FIAARO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000021714608 220363889 /nfs/dbraw/zinc/36/38/89/220363889.db2.gz YBLSZWAOKPOENU-AWEZNQCLSA-N 1 0 369.444 4.100 50 0 FIAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3cc(F)ccc3F)CC2)C1 ZINC000021718251 220364993 /nfs/dbraw/zinc/36/49/93/220364993.db2.gz NLPCBJRYXSCGJL-GJZGRUSLSA-N 1 0 365.468 4.187 50 0 FIAARO CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000022197811 220378763 /nfs/dbraw/zinc/37/87/63/220378763.db2.gz SMRLPSAYXXFRAI-UHFFFAOYSA-N 1 0 364.489 4.173 50 0 FIAARO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)sc2nc(C)cc(C)c12 ZINC000025385559 220484439 /nfs/dbraw/zinc/48/44/39/220484439.db2.gz KTENCZJAONZQCV-CQSZACIVSA-N 1 0 373.547 4.316 50 0 FIAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc2ccccc2n1 ZINC000036395551 220819594 /nfs/dbraw/zinc/81/95/94/220819594.db2.gz PRDWWXYOJIISQD-UHFFFAOYSA-N 1 0 363.461 4.208 50 0 FIAARO COc1ccc2cc(C[NH2+]Cc3ccc(Cn4cccn4)cc3)ccc2c1 ZINC000048301130 221006935 /nfs/dbraw/zinc/00/69/35/221006935.db2.gz MXCMYYGSUVKCRR-UHFFFAOYSA-N 1 0 357.457 4.383 50 0 FIAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 ZINC000048366867 221011076 /nfs/dbraw/zinc/01/10/76/221011076.db2.gz SIQMDGKOQNMYDY-QGZVFWFLSA-N 1 0 363.421 4.401 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1ccsc1 ZINC000048235292 221002120 /nfs/dbraw/zinc/00/21/20/221002120.db2.gz YXODWGDGJZNPQL-MRXNPFEDSA-N 1 0 372.519 4.296 50 0 FIAARO Cc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)c(C)c1 ZINC000055182972 221061328 /nfs/dbraw/zinc/06/13/28/221061328.db2.gz JSHJMJVPFYKQND-DEOSSOPVSA-N 1 0 374.484 4.175 50 0 FIAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000055199947 221061845 /nfs/dbraw/zinc/06/18/45/221061845.db2.gz OBHBSSIUPFMMHZ-OAHLLOKOSA-N 1 0 353.441 4.335 50 0 FIAARO C(=C/c1ccccc1)\C[NH+]1CCC(Cc2nncn2-c2ccccc2)CC1 ZINC000055307623 221065668 /nfs/dbraw/zinc/06/56/68/221065668.db2.gz ODGSSHINIBZEBF-JXMROGBWSA-N 1 0 358.489 4.235 50 0 FIAARO Cc1noc(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000053720472 221048299 /nfs/dbraw/zinc/04/82/99/221048299.db2.gz DYYALFZUCZNFRQ-HNNXBMFYSA-N 1 0 355.482 4.237 50 0 FIAARO Oc1ccc(C2=CC[N@H+](CCCc3nc(-c4cccs4)no3)CC2)cc1 ZINC000053815194 221048533 /nfs/dbraw/zinc/04/85/33/221048533.db2.gz JFUIOECUAWYEPV-UHFFFAOYSA-N 1 0 367.474 4.226 50 0 FIAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000057315252 221085907 /nfs/dbraw/zinc/08/59/07/221085907.db2.gz SHNFPECLZFCHSM-NSHDSACASA-N 1 0 368.811 4.225 50 0 FIAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CSCCSC2)C1 ZINC000055343484 221067375 /nfs/dbraw/zinc/06/73/75/221067375.db2.gz HDGUXJXBVCANMW-AWEZNQCLSA-N 1 0 355.956 4.083 50 0 FIAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000055369850 221067448 /nfs/dbraw/zinc/06/74/48/221067448.db2.gz CZIJONVUZHHJMK-FQEVSTJZSA-N 1 0 361.507 4.083 50 0 FIAARO CSc1cccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 ZINC000055371520 221068641 /nfs/dbraw/zinc/06/86/41/221068641.db2.gz FTAZDFLOWFKIGU-LJQANCHMSA-N 1 0 362.502 4.428 50 0 FIAARO O=c1cc(C[NH2+]C(c2ccccc2)c2ccccc2)c2ccc(O)cc2o1 ZINC000057406360 221087573 /nfs/dbraw/zinc/08/75/73/221087573.db2.gz BBHBWSCLUNLGBQ-UHFFFAOYSA-N 1 0 357.409 4.378 50 0 FIAARO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c(OC)c1 ZINC000057369668 221088008 /nfs/dbraw/zinc/08/80/08/221088008.db2.gz XSANLMOQFFALMF-OAHLLOKOSA-N 1 0 364.445 4.146 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCSCC2)cc1)c1cc(Cl)ccc1F ZINC000058310734 221113820 /nfs/dbraw/zinc/11/38/20/221113820.db2.gz RDNHQXVLROKSSY-UHFFFAOYSA-N 1 0 364.873 4.280 50 0 FIAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000058377484 221116778 /nfs/dbraw/zinc/11/67/78/221116778.db2.gz OCMWSBZAPCZYAK-MRXNPFEDSA-N 1 0 373.349 4.066 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000062582089 221140401 /nfs/dbraw/zinc/14/04/01/221140401.db2.gz VFYPDIKMYIIOSI-OAQYLSRUSA-N 1 0 364.489 4.423 50 0 FIAARO Cc1ccc(-c2ccc(N3CCC([NH+]4CCC(O)CC4)CC3)cc2)cc1 ZINC000063882752 221145420 /nfs/dbraw/zinc/14/54/20/221145420.db2.gz LLBLRJGJCYURKJ-UHFFFAOYSA-N 1 0 350.506 4.088 50 0 FIAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000064590870 221149322 /nfs/dbraw/zinc/14/93/22/221149322.db2.gz CGKIUXLNOIJJCL-UHFFFAOYSA-N 1 0 355.869 4.069 50 0 FIAARO CCCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccccc2OCC)C1 ZINC000065285357 221194488 /nfs/dbraw/zinc/19/44/88/221194488.db2.gz VLVBZWXEDXPVQP-GOSISDBHSA-N 1 0 364.493 4.230 50 0 FIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC000065370540 221204467 /nfs/dbraw/zinc/20/44/67/221204467.db2.gz YMWBILZVFJVBTD-NRFANRHFSA-N 1 0 353.510 4.135 50 0 FIAARO Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1C ZINC000065255109 221188713 /nfs/dbraw/zinc/18/87/13/221188713.db2.gz ZZVOEZJAECNHBK-UHFFFAOYSA-N 1 0 362.477 4.001 50 0 FIAARO O=C(c1ccc(-c2ccsc2)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000067446985 221254952 /nfs/dbraw/zinc/25/49/52/221254952.db2.gz VWUADCWFQZPFTP-UHFFFAOYSA-N 1 0 369.534 4.291 50 0 FIAARO CC[N@H+](Cc1cnc2c(-c3ccccc3)cnn2c1)[C@@H]1CCOC(C)(C)C1 ZINC000067868643 221297241 /nfs/dbraw/zinc/29/72/41/221297241.db2.gz NPSGVLZTQQRKJB-LJQANCHMSA-N 1 0 364.493 4.176 50 0 FIAARO C[C@@H](c1ccc(-c2ccc(O)c(-c3ccno3)c2)cc1)[NH+]1CCOCC1 ZINC000067954423 221307579 /nfs/dbraw/zinc/30/75/79/221307579.db2.gz JQFHGJISADJMAT-HNNXBMFYSA-N 1 0 350.418 4.107 50 0 FIAARO [NH3+]CCCCCC(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071746411 221358109 /nfs/dbraw/zinc/35/81/09/221358109.db2.gz XGQISFLVQPWYJM-KRWDZBQOSA-N 1 0 370.459 4.396 50 0 FIAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071753734 221363643 /nfs/dbraw/zinc/36/36/43/221363643.db2.gz ZEYWVQKRNYULDI-HNNXBMFYSA-N 1 0 360.452 4.031 50 0 FIAARO c1ccc([C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071752847 221363677 /nfs/dbraw/zinc/36/36/77/221363677.db2.gz CPRWVZMXTIZNJZ-ICDZXHCJSA-N 1 0 369.512 4.297 50 0 FIAARO CC(C)Nc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071761444 221368380 /nfs/dbraw/zinc/36/83/80/221368380.db2.gz ZRMDVLWMNUDNHP-INIZCTEOSA-N 1 0 374.479 4.420 50 0 FIAARO Cc1cc(C)c(-n2c[n+]3c(n2)COC(C)(C)[C@@H]3Cc2ccccc2)c(C)c1 ZINC000071772031 221374017 /nfs/dbraw/zinc/37/40/17/221374017.db2.gz PEAPBLXOZOPHTK-FQEVSTJZSA-N 1 0 362.497 4.178 50 0 FIAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)cc1 ZINC000072169003 221445049 /nfs/dbraw/zinc/44/50/49/221445049.db2.gz LPYCCYAWMSBQOJ-IBGZPJMESA-N 1 0 350.506 4.199 50 0 FIAARO Cc1csc([C@@H](C)[NH2+]C2CCN(c3nc(C)nc4sccc43)CC2)n1 ZINC000095507277 132212800 /nfs/dbraw/zinc/21/28/00/132212800.db2.gz DOOITIVTUQQPLK-GFCCVEGCSA-N 1 0 373.551 4.084 50 0 FIAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCc2cc(F)c(F)cc21 ZINC000058332126 132303693 /nfs/dbraw/zinc/30/36/93/132303693.db2.gz RLMPURRGPYVGMW-GOSISDBHSA-N 1 0 370.443 4.156 50 0 FIAARO CC[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000000940564 132379356 /nfs/dbraw/zinc/37/93/56/132379356.db2.gz RIVXOYKYGATCJH-UHFFFAOYSA-N 1 0 352.869 4.092 50 0 FIAARO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057399343 136129172 /nfs/dbraw/zinc/12/91/72/136129172.db2.gz GNNFXXGZHORZHT-UHFFFAOYSA-N 1 0 371.484 4.261 50 0 FIAARO Clc1ccc(-c2ccc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)o2)cc1 ZINC000071810443 136141299 /nfs/dbraw/zinc/14/12/99/136141299.db2.gz WBWBUDVKDGNGGP-KRWDZBQOSA-N 1 0 368.868 4.149 50 0 FIAARO CN1C[C@@]2(CCCN(c3cc(-c4ccccc4)[nH+]c4ccccc43)C2)OC1=O ZINC000072425505 136146388 /nfs/dbraw/zinc/14/63/88/136146388.db2.gz LBWNXRQMENFEFK-HSZRJFAPSA-N 1 0 373.456 4.323 50 0 FIAARO O=C1CC2(CN1)CC[NH+](Cc1cccc(-c3ccc(Cl)cc3)c1)CC2 ZINC000077458197 221630135 /nfs/dbraw/zinc/63/01/35/221630135.db2.gz VEKORJPYJNXJIM-UHFFFAOYSA-N 1 0 354.881 4.109 50 0 FIAARO Cc1cc(C[NH+]2CCCC2)cc(-c2cccc(CN3CCOCC3)c2)c1 ZINC000096148829 222050638 /nfs/dbraw/zinc/05/06/38/222050638.db2.gz JPNCRPWYSLEMNT-UHFFFAOYSA-N 1 0 350.506 4.090 50 0 FIAARO C[NH+](C)Cc1csc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413320 222179936 /nfs/dbraw/zinc/17/99/36/222179936.db2.gz QJHDNYILMGEHFC-IBGZPJMESA-N 1 0 354.523 4.413 50 0 FIAARO Cc1cccc([C@@H](NC(=O)C2CC[NH+](C3CCCCC3)CC2)C2CC2)n1 ZINC000097729610 222207182 /nfs/dbraw/zinc/20/71/82/222207182.db2.gz HEZQSFYCKGQQFV-NRFANRHFSA-N 1 0 355.526 4.002 50 0 FIAARO COCCOC1CC[NH+](C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000097729715 222209271 /nfs/dbraw/zinc/20/92/71/222209271.db2.gz QJMNEGWOLDJSFT-JOCHJYFZSA-N 1 0 365.517 4.120 50 0 FIAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(SC(F)(F)F)cc1)C2 ZINC000102832700 222310014 /nfs/dbraw/zinc/31/00/14/222310014.db2.gz SLRNLAAEAFMZBT-JYAVWHMHSA-N 1 0 373.444 4.102 50 0 FIAARO Cc1nn(C(F)F)c(C)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000005176023 263339523 /nfs/dbraw/zinc/33/95/23/263339523.db2.gz DCZLGDHVIKPDBL-UHFFFAOYSA-N 1 0 362.424 4.133 50 0 FIAARO Cc1nc2sccn2c1CN1CCc2onc(-c3ccccc3F)c2C1 ZINC000020450377 263380391 /nfs/dbraw/zinc/38/03/91/263380391.db2.gz ZQHZHLMIPWSUKI-UHFFFAOYSA-N 1 0 368.437 4.057 50 0 FIAARO Cc1ccc(O)c(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000426395974 263575697 /nfs/dbraw/zinc/57/56/97/263575697.db2.gz QOPRTNXLPQAIBS-UHFFFAOYSA-N 1 0 364.489 4.068 50 0 FIAARO CC(=O)[C@@H]1[C@H]([NH+](C)C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499587 518210710 /nfs/dbraw/zinc/21/07/10/518210710.db2.gz KIIFJDKQTHOFGN-PSYBGMFNSA-N 1 0 359.554 4.055 50 0 biogenic FIAARO CC(=O)c1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cs1 ZINC000020598840 518276438 /nfs/dbraw/zinc/27/64/38/518276438.db2.gz UJIVFSOXRSFFPB-HXUWFJFHSA-N 1 0 356.535 4.090 50 0 FIAARO CC(C)(CO)C[NH2+]C1CCN(c2cccc(-c3cccc(F)c3)c2)CC1 ZINC000020537835 519279008 /nfs/dbraw/zinc/27/90/08/519279008.db2.gz INEHAJXJFQRKSH-UHFFFAOYSA-N 1 0 356.485 4.070 50 0 FIAARO CC(C)=CC[N@H+]1CCN(Cc2cn(C(C)C)c3ccccc23)C[C@@H]1CCO ZINC000020543042 519428061 /nfs/dbraw/zinc/42/80/61/519428061.db2.gz XZNLTPCHZDIQHW-NRFANRHFSA-N 1 0 369.553 4.057 50 0 FIAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2sc(CCOC)nc2C)C12CCCC2 ZINC000242048021 520377298 /nfs/dbraw/zinc/37/72/98/520377298.db2.gz VSACRZXFFBFASW-FVQBIDKESA-N 1 0 352.544 4.029 50 0 FIAARO CCCCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(C)c1 ZINC000089954813 520884985 /nfs/dbraw/zinc/88/49/85/520884985.db2.gz CSPXWZBTQINIID-FXAWDEMLSA-N 1 0 361.530 4.368 50 0 FIAARO C[NH+](C)Cc1cc(CNC(=O)c2cccc(Cl)c2Cl)ccc1F ZINC000078735022 521889589 /nfs/dbraw/zinc/88/95/89/521889589.db2.gz ZACBGEPLDIGNHA-UHFFFAOYSA-N 1 0 355.240 4.124 50 0 FIAARO COc1cc(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1F ZINC000020204258 522486929 /nfs/dbraw/zinc/48/69/29/522486929.db2.gz PAHDHFDZSGRUCC-SFHVURJKSA-N 1 0 362.876 4.242 50 0 FIAARO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000065508951 524297555 /nfs/dbraw/zinc/29/75/55/524297555.db2.gz HNBWUWBFURNRMF-OAQYLSRUSA-N 1 0 366.505 4.293 50 0 FIAARO O=C(OC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2cnco2)cc1 ZINC000089834888 526421011 /nfs/dbraw/zinc/42/10/11/526421011.db2.gz YMDPQGYEGUQFNI-GOSISDBHSA-N 1 0 362.429 4.021 50 0 FIAARO c1ccc(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)cc1 ZINC000019877305 526488310 /nfs/dbraw/zinc/48/83/10/526488310.db2.gz UBFHWVSEKJUEFQ-UHFFFAOYSA-N 1 0 359.473 4.192 50 0 FIAARO Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156219222 526573461 /nfs/dbraw/zinc/57/34/61/526573461.db2.gz DLEYOCOXFFZJIR-MWLCHTKSSA-N 1 0 369.943 4.033 50 0 FIAARO c1csc(Cn2[nH]cc3nc(-c4cc(C[NH+]5CCCC5)cs4)nc2-3)c1 ZINC000020776989 526582944 /nfs/dbraw/zinc/58/29/44/526582944.db2.gz YCLFRSURVSBQFI-UHFFFAOYSA-N 1 0 369.519 4.194 50 0 FIAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)N1CCC(Cc2ccccc2)CC1 ZINC000089830342 526888786 /nfs/dbraw/zinc/88/87/86/526888786.db2.gz SVDJDYDHLPZZIC-HSZRJFAPSA-N 1 0 362.517 4.135 50 0 FIAARO O=C(Cc1ccccc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000019841722 527277983 /nfs/dbraw/zinc/27/79/83/527277983.db2.gz MSXYSZWIJJHNJS-UHFFFAOYSA-N 1 0 362.517 4.100 50 0 FIAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1nnc(-c2ccccc2)o1 ZINC000215509067 568074219 /nfs/dbraw/zinc/07/42/19/568074219.db2.gz VUGMIOVUFZZOFB-UHFFFAOYSA-N 1 0 368.506 4.026 50 0 FIAARO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](Cn4ccnc4)C3)o2)cc1 ZINC000216125150 568107118 /nfs/dbraw/zinc/10/71/18/568107118.db2.gz TUWKWMXPAJVEQO-KRWDZBQOSA-N 1 0 351.450 4.064 50 0 FIAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCc3cc(SC)ccc3C2)c1 ZINC000216280148 568116240 /nfs/dbraw/zinc/11/62/40/568116240.db2.gz JLNNVOQTMBULAK-UHFFFAOYSA-N 1 0 365.502 4.161 50 0 FIAARO OC1(c2ccccc2)CC[NH+](Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000220727276 568359337 /nfs/dbraw/zinc/35/93/37/568359337.db2.gz RQSYCGXFDSFTSB-LJQANCHMSA-N 1 0 357.519 4.473 50 0 FIAARO CSc1ccccc1C(=O)N1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000221321490 568397853 /nfs/dbraw/zinc/39/78/53/568397853.db2.gz VSMCUOPAWXVEPA-LJQANCHMSA-N 1 0 354.519 4.447 50 0 FIAARO CCc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000091769480 570438100 /nfs/dbraw/zinc/43/81/00/570438100.db2.gz IPJNMXLUPQWJTO-IFMALSPDSA-N 1 0 363.505 4.377 50 0 FIAARO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)on1 ZINC000092107768 570447308 /nfs/dbraw/zinc/44/73/08/570447308.db2.gz PKCZEVUPUJBHSA-IBGZPJMESA-N 1 0 355.482 4.227 50 0 FIAARO O=C(c1ccc2occc2c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095361352 570453975 /nfs/dbraw/zinc/45/39/75/570453975.db2.gz JZXRMLCZXAZFSJ-WIYYLYMNSA-N 1 0 360.457 4.169 50 0 FIAARO Cc1nc([C@@H](C)N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)s1 ZINC000095373217 570456507 /nfs/dbraw/zinc/45/65/07/570456507.db2.gz WCWUFCQPAKIKJN-CQSZACIVSA-N 1 0 357.523 4.189 50 0 FIAARO Cc1ccc2nc(C[N@@H+]3CCC[C@H](c4nccn4CC4CCC4)C3)cn2c1 ZINC000095380109 570458423 /nfs/dbraw/zinc/45/84/23/570458423.db2.gz OOYVXJWUFWQGFV-IBGZPJMESA-N 1 0 363.509 4.019 50 0 FIAARO CC(C)c1ncc(C[N@@H+]2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000095523865 570468384 /nfs/dbraw/zinc/46/83/84/570468384.db2.gz XMENEESEQKWICB-JOCHJYFZSA-N 1 0 367.493 4.174 50 0 FIAARO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)c3cc4sccc4[nH]3)CC2)o1 ZINC000095527725 570468913 /nfs/dbraw/zinc/46/89/13/570468913.db2.gz QJGWDRHBRJIQTC-UHFFFAOYSA-N 1 0 371.506 4.115 50 0 FIAARO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000247795850 570488025 /nfs/dbraw/zinc/48/80/25/570488025.db2.gz RDKZWLSCMXBVOZ-ICSRJNTNSA-N 1 0 353.487 4.478 50 0 FIAARO O=C(NC1CC1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000034669640 570526870 /nfs/dbraw/zinc/52/68/70/570526870.db2.gz BYGVPQASNMCXRJ-RXVVDRJESA-N 1 0 352.453 4.058 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000002735969 570528951 /nfs/dbraw/zinc/52/89/51/570528951.db2.gz BUCHHVOLSDDWQM-LJQANCHMSA-N 1 0 356.897 4.211 50 0 FIAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000002735968 570529068 /nfs/dbraw/zinc/52/90/68/570529068.db2.gz BUCHHVOLSDDWQM-IBGZPJMESA-N 1 0 356.897 4.211 50 0 FIAARO Cc1cccc(C)c1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000002869107 570540731 /nfs/dbraw/zinc/54/07/31/570540731.db2.gz QHCRDLXGZVVAFP-UHFFFAOYSA-N 1 0 353.535 4.038 50 0 FIAARO CCCC[NH2+]C[C@H]1[C@H](Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C ZINC000004992282 570572902 /nfs/dbraw/zinc/57/29/02/570572902.db2.gz BPPZVGTWBJTIAC-PMACEKPBSA-N 1 0 372.896 4.201 50 0 FIAARO CC1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000005047159 570578898 /nfs/dbraw/zinc/57/88/98/570578898.db2.gz AZNACGFBMHSSCH-UHFFFAOYSA-N 1 0 352.478 4.326 50 0 FIAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c1 ZINC000004841800 570609886 /nfs/dbraw/zinc/60/98/86/570609886.db2.gz XZZMNUQJHNEWLV-UHFFFAOYSA-N 1 0 369.292 4.065 50 0 FIAARO CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000004898830 570612798 /nfs/dbraw/zinc/61/27/98/570612798.db2.gz MZXLADZDUIOTCA-OAQYLSRUSA-N 1 0 361.489 4.432 50 0 FIAARO CCOc1cc(C[NH2+]C2CCCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000005064734 570620509 /nfs/dbraw/zinc/62/05/09/570620509.db2.gz YFASBRYEKGXVOV-UHFFFAOYSA-N 1 0 368.477 4.135 50 0 FIAARO FC1(F)CC[C@H](C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000252481717 570622088 /nfs/dbraw/zinc/62/20/88/570622088.db2.gz CQWWCCSWDIYENR-HOCLYGCPSA-N 1 0 352.473 4.467 50 0 FIAARO FC1(F)CC[C@@H](C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1 ZINC000252481718 570622239 /nfs/dbraw/zinc/62/22/39/570622239.db2.gz CQWWCCSWDIYENR-ZBFHGGJFSA-N 1 0 352.473 4.467 50 0 FIAARO CC(=O)[C@H]1Sc2ccccc2N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000005314002 570623436 /nfs/dbraw/zinc/62/34/36/570623436.db2.gz KJKUTCSZMKBGKI-LEWJYISDSA-N 1 0 354.519 4.249 50 0 FIAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000006731046 570653227 /nfs/dbraw/zinc/65/32/27/570653227.db2.gz FTUADTJDRPPKHO-UHFFFAOYSA-N 1 0 357.885 4.435 50 0 FIAARO Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CC[NH+](C)CC2)cc1 ZINC000005498992 570663812 /nfs/dbraw/zinc/66/38/12/570663812.db2.gz KSSDCPABXIYBGP-NRFANRHFSA-N 1 0 361.489 4.269 50 0 FIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1F ZINC000008745149 570687100 /nfs/dbraw/zinc/68/71/00/570687100.db2.gz IMWXXFCJFDALSZ-APWZRJJASA-N 1 0 358.844 4.236 50 0 FIAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1C ZINC000011844592 570709710 /nfs/dbraw/zinc/70/97/10/570709710.db2.gz KKZGAJQJDMDVKM-QGZVFWFLSA-N 1 0 359.901 4.350 50 0 FIAARO CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873542 570710387 /nfs/dbraw/zinc/71/03/87/570710387.db2.gz JROGNEVSNLHYJJ-FQEVSTJZSA-N 1 0 357.929 4.122 50 0 FIAARO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000011874536 570710835 /nfs/dbraw/zinc/71/08/35/570710835.db2.gz GBBPTFZZNFNSQV-SFHVURJKSA-N 1 0 365.502 4.337 50 0 FIAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000011909505 570711347 /nfs/dbraw/zinc/71/13/47/570711347.db2.gz RWSVZVWMIKZUIU-LJQANCHMSA-N 1 0 352.526 4.110 50 0 FIAARO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1C1CCC1 ZINC000011933529 570712017 /nfs/dbraw/zinc/71/20/17/570712017.db2.gz HBPGYSGAUXCSQR-IBGZPJMESA-N 1 0 351.450 4.219 50 0 FIAARO C/C=C(\C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012053146 570715340 /nfs/dbraw/zinc/71/53/40/570715340.db2.gz FFYKTULFRJOEIL-JFQJCAQQSA-N 1 0 356.510 4.122 50 0 FIAARO COc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c(F)c1 ZINC000012198192 570726693 /nfs/dbraw/zinc/72/66/93/570726693.db2.gz SCXORPLYAPVXSI-UHFFFAOYSA-N 1 0 371.496 4.432 50 0 FIAARO Cc1cccc(-n2cc(C[NH2+]C[C@@H]3CCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000012200965 570727207 /nfs/dbraw/zinc/72/72/07/570727207.db2.gz VRGYYZUVTHSXJM-NRFANRHFSA-N 1 0 365.452 4.255 50 0 FIAARO CC[NH+]1CCC(CC(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1 ZINC000012205492 570727583 /nfs/dbraw/zinc/72/75/83/570727583.db2.gz DMUVFHZYYPBCOC-HXUWFJFHSA-N 1 0 360.517 4.119 50 0 FIAARO Cc1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012208921 570728000 /nfs/dbraw/zinc/72/80/00/570728000.db2.gz DCNRHUAPKNIIOV-FQEVSTJZSA-N 1 0 368.496 4.161 50 0 FIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000012315223 570735748 /nfs/dbraw/zinc/73/57/48/570735748.db2.gz MCOHIWCWKOKLLI-INIZCTEOSA-N 1 0 374.481 4.058 50 0 FIAARO CC(C)[C@@H](C)Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000012432522 570744866 /nfs/dbraw/zinc/74/48/66/570744866.db2.gz BFUYLVNZAWYRKQ-GOSISDBHSA-N 1 0 372.557 4.019 50 0 FIAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000012441783 570746170 /nfs/dbraw/zinc/74/61/70/570746170.db2.gz GMRLUCYARYAKIN-HSZRJFAPSA-N 1 0 353.506 4.291 50 0 FIAARO CN(C(=O)c1ccc(Cl)s1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012456536 570747027 /nfs/dbraw/zinc/74/70/27/570747027.db2.gz IQMWLGJESGRVHM-MRXNPFEDSA-N 1 0 362.926 4.181 50 0 FIAARO COCC[N@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012459338 570747719 /nfs/dbraw/zinc/74/77/19/570747719.db2.gz HVQSTRGEJFIASM-UHFFFAOYSA-N 1 0 371.431 4.204 50 0 FIAARO CCCCOc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000032594029 570750625 /nfs/dbraw/zinc/75/06/25/570750625.db2.gz UGIKWMOEICEVML-LJQANCHMSA-N 1 0 356.466 4.025 50 0 FIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000012584269 570751936 /nfs/dbraw/zinc/75/19/36/570751936.db2.gz GSRIIPQUHBUHIT-NRFANRHFSA-N 1 0 359.897 4.253 50 0 FIAARO Cc1cccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)c1 ZINC000004359302 570757089 /nfs/dbraw/zinc/75/70/89/570757089.db2.gz XRSFOPICOMPKFE-UHFFFAOYSA-N 1 0 373.909 4.467 50 0 FIAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1 ZINC000004359647 570758846 /nfs/dbraw/zinc/75/88/46/570758846.db2.gz HRWZLSGNASCXOO-UHFFFAOYSA-N 1 0 363.870 4.141 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc(Br)c1O ZINC000004988948 570775036 /nfs/dbraw/zinc/77/50/36/570775036.db2.gz GHCGQOCTIDGCLX-HIFRSBDPSA-N 1 0 354.288 4.318 50 0 FIAARO Cc1csc2nc(C[N@@H+](C)[C@H](C)c3cc4ccccc4o3)cc(=O)n12 ZINC000032754481 570794246 /nfs/dbraw/zinc/79/42/46/570794246.db2.gz IEBLSPSUYJJGNX-CYBMUJFWSA-N 1 0 353.447 4.004 50 0 FIAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1ccccc1Cl ZINC000174937334 570811661 /nfs/dbraw/zinc/81/16/61/570811661.db2.gz CLIPXHQIRCTYJW-LJQANCHMSA-N 1 0 370.924 4.253 50 0 FIAARO O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005704795 570824119 /nfs/dbraw/zinc/82/41/19/570824119.db2.gz BMBUWTVEMVCOAM-MRXNPFEDSA-N 1 0 367.276 4.082 50 0 FIAARO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2ccc(C)o2)C[C@@H]1c1ccccc1 ZINC000105050463 570866846 /nfs/dbraw/zinc/86/68/46/570866846.db2.gz QXLUXORXUFTQCC-JTHBVZDNSA-N 1 0 368.521 4.308 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1OC(F)F ZINC000023241049 570960602 /nfs/dbraw/zinc/96/06/02/570960602.db2.gz MYCNVXBNPYHZLR-UHFFFAOYSA-N 1 0 374.431 4.204 50 0 FIAARO CC(C)[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000024082716 570971214 /nfs/dbraw/zinc/97/12/14/570971214.db2.gz DSKVDEOGUDSDRW-JOCHJYFZSA-N 1 0 363.461 4.130 50 0 FIAARO Cc1ccc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024115583 570972104 /nfs/dbraw/zinc/97/21/04/570972104.db2.gz BLQUUOKJEIXVTI-GOSISDBHSA-N 1 0 368.546 4.388 50 0 FIAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000024837989 570983924 /nfs/dbraw/zinc/98/39/24/570983924.db2.gz CFNGBKLQSSXKHR-UHFFFAOYSA-N 1 0 371.484 4.274 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 ZINC000024973241 570987423 /nfs/dbraw/zinc/98/74/23/570987423.db2.gz WVARMQAELLRQFZ-UHFFFAOYSA-N 1 0 369.896 4.077 50 0 FIAARO Cc1noc(C)c1COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000025357577 570995099 /nfs/dbraw/zinc/99/50/99/570995099.db2.gz VGPXCCOLDVANFB-NRFANRHFSA-N 1 0 364.445 4.484 50 0 FIAARO CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025439355 570996019 /nfs/dbraw/zinc/99/60/19/570996019.db2.gz ZERCMJQPEDDOLL-NRFANRHFSA-N 1 0 350.506 4.457 50 0 FIAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000027580616 571013946 /nfs/dbraw/zinc/01/39/46/571013946.db2.gz IZYDVFJUUWJYMY-SFHVURJKSA-N 1 0 372.534 4.087 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCCC2)cc1 ZINC000027584401 571015658 /nfs/dbraw/zinc/01/56/58/571015658.db2.gz CKFNWSSBDBXWEM-JOCHJYFZSA-N 1 0 366.505 4.351 50 0 biogenic FIAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027584803 571015704 /nfs/dbraw/zinc/01/57/04/571015704.db2.gz DKTBMQUXYNRRRZ-IBGZPJMESA-N 1 0 372.534 4.492 50 0 FIAARO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027749574 571020372 /nfs/dbraw/zinc/02/03/72/571020372.db2.gz ONAOQTQZSDQEFK-GOSISDBHSA-N 1 0 358.507 4.104 50 0 FIAARO CCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027989277 571025039 /nfs/dbraw/zinc/02/50/39/571025039.db2.gz RMHGVMCBPROFCT-SFHVURJKSA-N 1 0 358.507 4.104 50 0 FIAARO COc1ccc([C@@H](CNC(=O)Nc2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000028247786 571028354 /nfs/dbraw/zinc/02/83/54/571028354.db2.gz ZWKYBEYAVNJUMB-LJQANCHMSA-N 1 0 373.884 4.307 50 0 FIAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+]2CCCC2)c1 ZINC000028403429 571031807 /nfs/dbraw/zinc/03/18/07/571031807.db2.gz YBKXVGSQKPFJTC-QFIPXVFZSA-N 1 0 366.505 4.215 50 0 FIAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nc(C3CC3)cs2)C1 ZINC000072277769 571033810 /nfs/dbraw/zinc/03/38/10/571033810.db2.gz YQSIMYOFDMHYAC-ZDUSSCGKSA-N 1 0 350.532 4.043 50 0 FIAARO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000008328997 571040671 /nfs/dbraw/zinc/04/06/71/571040671.db2.gz LVPYIAZWVJZZBR-KBXCAEBGSA-N 1 0 356.491 4.239 50 0 FIAARO Cc1ccc2nc(C)cc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c2c1 ZINC000029836006 571044255 /nfs/dbraw/zinc/04/42/55/571044255.db2.gz VMOPCGKXTMVNNM-NRFANRHFSA-N 1 0 365.452 4.023 50 0 FIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(C)c4ccccc24)N3)C1 ZINC000004124925 571049289 /nfs/dbraw/zinc/04/92/89/571049289.db2.gz SLKUAWZKJGNYQT-SFHVURJKSA-N 1 0 366.490 4.047 50 0 FIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000008514474 571049383 /nfs/dbraw/zinc/04/93/83/571049383.db2.gz AAKYUMPRJLJPBR-OAHLLOKOSA-N 1 0 353.249 4.153 50 0 FIAARO CCN1CC[NH+](C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1 ZINC000032513800 571058329 /nfs/dbraw/zinc/05/83/29/571058329.db2.gz ZJDWLKZOKHBRCG-UHFFFAOYSA-N 1 0 367.512 4.099 50 0 FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000008862610 571063766 /nfs/dbraw/zinc/06/37/66/571063766.db2.gz VQYPMFWODCRCTO-HXUWFJFHSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000008862622 571063849 /nfs/dbraw/zinc/06/38/49/571063849.db2.gz BUBTWENTEQSRDV-HXUWFJFHSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000008862609 571063890 /nfs/dbraw/zinc/06/38/90/571063890.db2.gz VQYPMFWODCRCTO-FQEVSTJZSA-N 1 0 350.487 4.468 50 0 FIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000039975562 571066552 /nfs/dbraw/zinc/06/65/52/571066552.db2.gz XLVUFEJONDJOEN-UHFFFAOYSA-N 1 0 362.395 4.100 50 0 FIAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000072309079 571067363 /nfs/dbraw/zinc/06/73/63/571067363.db2.gz MQHAGTLODIMPDI-CYBMUJFWSA-N 1 0 355.413 4.176 50 0 FIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1OC ZINC000004981277 571072797 /nfs/dbraw/zinc/07/27/97/571072797.db2.gz WBVNPOSYZRWQHQ-LJQANCHMSA-N 1 0 368.521 4.074 50 0 FIAARO C[C@H]([NH2+]C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005073767 571072856 /nfs/dbraw/zinc/07/28/56/571072856.db2.gz ZBVOHBSEOKWMAV-ZNTRSTIXSA-N 1 0 357.538 4.321 50 0 FIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccccc1Br ZINC000040090877 571075093 /nfs/dbraw/zinc/07/50/93/571075093.db2.gz LHTHTWNYHHFPBE-UHFFFAOYSA-N 1 0 359.267 4.297 50 0 FIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCc2nc3ccccc3s2)C1 ZINC000040118856 571080102 /nfs/dbraw/zinc/08/01/02/571080102.db2.gz UOMLMFBWHHTDPJ-IAGOWNOFSA-N 1 0 373.566 4.103 50 0 FIAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000040161206 571089908 /nfs/dbraw/zinc/08/99/08/571089908.db2.gz JDHMXZAOLPAMAT-HUUCEWRRSA-N 1 0 362.429 4.246 50 0 FIAARO COc1ccc(N2C(=O)c3ccccc3[C@@H]([NH3+])[C@@H]2c2ccccc2)cc1OC ZINC000044126455 571101443 /nfs/dbraw/zinc/10/14/43/571101443.db2.gz MSERYHHWHNAJSJ-YADHBBJMSA-N 1 0 374.440 4.105 50 0 FIAARO Cc1cccnc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000244620018 571113996 /nfs/dbraw/zinc/11/39/96/571113996.db2.gz FKIXRXPYMMTBDV-CQSZACIVSA-N 1 0 363.864 4.074 50 0 FIAARO C[N@H+](CCSc1ccccc1)CCC(=O)Nc1ccc(F)c(F)c1 ZINC000244724658 571115768 /nfs/dbraw/zinc/11/57/68/571115768.db2.gz MYDMSAFRUWCIPY-UHFFFAOYSA-N 1 0 350.434 4.018 50 0 FIAARO CC(=O)OCc1c(C)cc(C)c(C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)c1C ZINC000055576066 571121447 /nfs/dbraw/zinc/12/14/47/571121447.db2.gz MVCYVVZDUSWGOA-INIZCTEOSA-N 1 0 365.477 4.402 50 0 FIAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000009958715 571121793 /nfs/dbraw/zinc/12/17/93/571121793.db2.gz SLMLNPOQJXGQFB-UHFFFAOYSA-N 1 0 356.514 4.417 50 0 FIAARO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](O)c4cccc(F)c4)CC3)c2c1 ZINC000060039660 571135879 /nfs/dbraw/zinc/13/58/79/571135879.db2.gz SZMVBCMOVIBEKD-JOCHJYFZSA-N 1 0 368.452 4.229 50 0 FIAARO C[N@H+](Cc1cc(=O)n2c(-c3ccccc3)csc2n1)C1CCCCC1 ZINC000033068887 571141859 /nfs/dbraw/zinc/14/18/59/571141859.db2.gz IVFNJOBTYOVPIL-UHFFFAOYSA-N 1 0 353.491 4.188 50 0 FIAARO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1F ZINC000025363040 571145124 /nfs/dbraw/zinc/14/51/24/571145124.db2.gz GVHBEUTWKPZHMR-SNVBAGLBSA-N 1 0 352.203 4.168 50 0 FIAARO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000209930064 571146261 /nfs/dbraw/zinc/14/62/61/571146261.db2.gz PMVUKWUXUVWXEP-DNQXCXABSA-N 1 0 358.485 4.192 50 0 FIAARO CCCCCN(C)c1ccc(F)cc1C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000075093160 571154349 /nfs/dbraw/zinc/15/43/49/571154349.db2.gz SKXXSFCOVYEWTB-UHFFFAOYSA-N 1 0 371.500 4.102 50 0 FIAARO CCOC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H]4CCCCC[C@@H]43)cc(=O)oc2c1 ZINC000075109053 571155703 /nfs/dbraw/zinc/15/57/03/571155703.db2.gz UNEQKNUDZGYHBA-KSSFIOAISA-N 1 0 370.449 4.126 50 0 FIAARO COc1cc(COCC2CC[NH+](Cc3ccccc3F)CC2)cc(OC)c1 ZINC000075156554 571157143 /nfs/dbraw/zinc/15/71/43/571157143.db2.gz DTDHYGAHGLGGMF-UHFFFAOYSA-N 1 0 373.468 4.272 50 0 FIAARO C[C@H](CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000004672278 571157441 /nfs/dbraw/zinc/15/74/41/571157441.db2.gz GITPWLWBSBMIGW-CYBMUJFWSA-N 1 0 373.909 4.081 50 0 FIAARO COc1cccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)c1 ZINC000004678339 571158483 /nfs/dbraw/zinc/15/84/83/571158483.db2.gz OMZRLQDVMYWURO-UHFFFAOYSA-N 1 0 372.266 4.470 50 0 FIAARO CC(C)Oc1cccc(C[NH+]2CCC3(CCN(C(=O)C4CC4)CC3)CC2)c1 ZINC000072138981 571171664 /nfs/dbraw/zinc/17/16/64/571171664.db2.gz ZUYXQBQZBAFFHW-UHFFFAOYSA-N 1 0 370.537 4.088 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1csc2ccccc21 ZINC000575619460 571172406 /nfs/dbraw/zinc/17/24/06/571172406.db2.gz FOSBRTWNOYYDPY-LJQANCHMSA-N 1 0 363.486 4.415 50 0 FIAARO CCCC[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000006399191 571183954 /nfs/dbraw/zinc/18/39/54/571183954.db2.gz CHVIABYJXVEWCA-QGZVFWFLSA-N 1 0 359.857 4.000 50 0 FIAARO COc1ccc2c(C)cc(N3CC[C@]4(C3)CCC[N@H+](CC3CC3)C4)nc2c1 ZINC000072407609 571191156 /nfs/dbraw/zinc/19/11/56/571191156.db2.gz LOIVFNJTHFJWAA-HSZRJFAPSA-N 1 0 365.521 4.254 50 0 FIAARO Cc1ccc2cc(CN3CCC[N@@H+](C)CC3)c(-c3cccs3)nc2c1 ZINC000072410077 571191636 /nfs/dbraw/zinc/19/16/36/571191636.db2.gz GPDMDMSDKNIKHJ-UHFFFAOYSA-N 1 0 351.519 4.409 50 0 FIAARO Cc1ccc(C[NH+]2CCC3(CN(C[C@@H](C)c4ccccc4)C(=O)O3)CC2)o1 ZINC000072411545 571192071 /nfs/dbraw/zinc/19/20/71/571192071.db2.gz SFDOTOOFCZUQIZ-QGZVFWFLSA-N 1 0 368.477 4.179 50 0 FIAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CC[C@](O)(c2ccccc2)C1 ZINC000072432948 571196028 /nfs/dbraw/zinc/19/60/28/571196028.db2.gz AKMHDEIRQIXYPE-OAQYLSRUSA-N 1 0 368.864 4.397 50 0 FIAARO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000072441721 571197091 /nfs/dbraw/zinc/19/70/91/571197091.db2.gz IJKJHJMECRKMRV-GOSISDBHSA-N 1 0 366.505 4.093 50 0 FIAARO COc1ccccc1-c1ccc(C(=O)N2CCCC[C@@H]2CC[NH+](C)C)cc1 ZINC000072453699 571197272 /nfs/dbraw/zinc/19/72/72/571197272.db2.gz BPFXRKBFOJLYBU-HXUWFJFHSA-N 1 0 366.505 4.309 50 0 FIAARO CN(Cc1cccc2ncccc12)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000077299274 571206646 /nfs/dbraw/zinc/20/66/46/571206646.db2.gz MBBPQRCOFBKHOD-UHFFFAOYSA-N 1 0 373.500 4.073 50 0 FIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH2+]CCc1ccc(F)cc1 ZINC000004040147 571209541 /nfs/dbraw/zinc/20/95/41/571209541.db2.gz OJQZAFPFLBEQDS-LUBSMZHTSA-N 1 0 371.496 4.416 50 0 biogenic FIAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccc(O)cc3)cc2)CC[N@@H+]1C(C)C ZINC000077452169 571212048 /nfs/dbraw/zinc/21/20/48/571212048.db2.gz JOXLTPRTLKXHHO-FQEVSTJZSA-N 1 0 352.478 4.004 50 0 FIAARO CCCn1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000077472484 571213080 /nfs/dbraw/zinc/21/30/80/571213080.db2.gz KXFYCYZIWNHACO-NRFANRHFSA-N 1 0 368.525 4.031 50 0 FIAARO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH+]3CCCC3)cc2)cn1 ZINC000426380661 571217265 /nfs/dbraw/zinc/21/72/65/571217265.db2.gz QEZVARHKZUIQON-QFIPXVFZSA-N 1 0 363.505 4.148 50 0 FIAARO CC(C)c1ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nn1 ZINC000426383160 571217566 /nfs/dbraw/zinc/21/75/66/571217566.db2.gz UKJOQUJPGLDNBE-QFIPXVFZSA-N 1 0 368.500 4.232 50 0 FIAARO C[C@H](c1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1)[NH+]1CCCC1 ZINC000426399473 571220268 /nfs/dbraw/zinc/22/02/68/571220268.db2.gz YBVWCNTWGJOVOW-QGZVFWFLSA-N 1 0 351.494 4.465 50 0 FIAARO CCOc1cc(C)c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1C(C)C ZINC000426405524 571221045 /nfs/dbraw/zinc/22/10/45/571221045.db2.gz MLNLBHSPKJHDIS-BVYCBKJFSA-N 1 0 361.526 4.021 50 0 FIAARO CC(=O)c1ccccc1-c1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000426478918 571227574 /nfs/dbraw/zinc/22/75/74/571227574.db2.gz LLFYCNUJQJLNIS-GOSISDBHSA-N 1 0 364.489 4.018 50 0 FIAARO CC(=O)c1ccccc1-c1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000426478920 571227596 /nfs/dbraw/zinc/22/75/96/571227596.db2.gz LLFYCNUJQJLNIS-SFHVURJKSA-N 1 0 364.489 4.018 50 0 FIAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082114360 571228553 /nfs/dbraw/zinc/22/85/53/571228553.db2.gz KTLKRRLKSBPOMQ-UHFFFAOYSA-N 1 0 363.461 4.106 50 0 FIAARO C[C@@H](O)c1ccc(-c2cccc(C(=O)NCCCC[NH+]3CCCC3)c2)cc1 ZINC000426544669 571231028 /nfs/dbraw/zinc/23/10/28/571231028.db2.gz HVGXIBLGAIZZIC-GOSISDBHSA-N 1 0 366.505 4.013 50 0 FIAARO CO[C@]12CC[N@H+](Cc3cccc4cnccc43)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426545214 571231245 /nfs/dbraw/zinc/23/12/45/571231245.db2.gz VABULVCIMYQDGQ-ACIOBRDBSA-N 1 0 366.505 4.173 50 0 FIAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031109 571238940 /nfs/dbraw/zinc/23/89/40/571238940.db2.gz SFCCMILXRNEZJW-YOEHRIQHSA-N 1 0 353.915 4.442 50 0 FIAARO c1coc([C@@H](CNc2ncnc3sc4c(c32)CCC4)[NH+]2CCCCC2)c1 ZINC000006653060 571239159 /nfs/dbraw/zinc/23/91/59/571239159.db2.gz MQTRMCNJOMLINH-OAHLLOKOSA-N 1 0 368.506 4.412 50 0 FIAARO Cc1cc2cccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)c2o1 ZINC000091434984 571239682 /nfs/dbraw/zinc/23/96/82/571239682.db2.gz NELOGVPMQGCQMT-IEBWSBKVSA-N 1 0 352.478 4.078 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000036079711 571240397 /nfs/dbraw/zinc/24/03/97/571240397.db2.gz VNRXOYIJPVDCSI-RXXSEBCPSA-N 1 0 352.522 4.156 50 0 FIAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COc1ccccc1C ZINC000036096220 571241325 /nfs/dbraw/zinc/24/13/25/571241325.db2.gz GLHZCQMLFZGENN-NRFANRHFSA-N 1 0 371.521 4.292 50 0 FIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)s1 ZINC000036101646 571241594 /nfs/dbraw/zinc/24/15/94/571241594.db2.gz SHMXHWOAUAQRBX-FQEVSTJZSA-N 1 0 361.551 4.482 50 0 FIAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102505 571241876 /nfs/dbraw/zinc/24/18/76/571241876.db2.gz SIYVCWYVFDDUHA-JOCHJYFZSA-N 1 0 365.448 4.268 50 0 FIAARO CNc1nc(N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)cc(C)[nH+]1 ZINC000091726081 571242908 /nfs/dbraw/zinc/24/29/08/571242908.db2.gz JTZINAMBEVRXQC-AWEZNQCLSA-N 1 0 354.502 4.040 50 0 FIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)CCCc1cn(C)c2ccccc12 ZINC000006782701 571246327 /nfs/dbraw/zinc/24/63/27/571246327.db2.gz SBLCWCGYTBJALC-OALUTQOASA-N 1 0 369.553 4.270 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169677153 571246919 /nfs/dbraw/zinc/24/69/19/571246919.db2.gz GSVFDHHQPLTUFJ-NFBKMPQASA-N 1 0 355.522 4.482 50 0 FIAARO Cc1ccc(C)c([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC000036344596 571248592 /nfs/dbraw/zinc/24/85/92/571248592.db2.gz IQMMVNNYDJDBRA-QFIPXVFZSA-N 1 0 363.505 4.321 50 0 FIAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000036396269 571253014 /nfs/dbraw/zinc/25/30/14/571253014.db2.gz CTYAQAFRZCPWHK-UHFFFAOYSA-N 1 0 369.317 4.403 50 0 FIAARO CN(CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(Cl)cc1 ZINC000007444098 571265676 /nfs/dbraw/zinc/26/56/76/571265676.db2.gz OWUXRSUHRLPKTD-UHFFFAOYSA-N 1 0 354.784 4.012 50 0 FIAARO C[C@@H]1C[NH+](CCCNc2cc(C(F)(F)F)nc3ccccc32)C[C@@H](C)O1 ZINC000089936642 571274201 /nfs/dbraw/zinc/27/42/01/571274201.db2.gz ASCLLYJBEUMKJR-ZIAGYGMSSA-N 1 0 367.415 4.165 50 0 FIAARO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCSCC2)c1 ZINC000089981123 571274621 /nfs/dbraw/zinc/27/46/21/571274621.db2.gz ARGRRCUDVOSMQZ-HXUWFJFHSA-N 1 0 354.519 4.422 50 0 FIAARO Cc1cc(C[NH2+]C[C@@H](c2ccnn2C)C(C)C)ccc1Oc1cccnc1 ZINC000252490161 571280626 /nfs/dbraw/zinc/28/06/26/571280626.db2.gz KKSIKPLPMUWBPI-HXUWFJFHSA-N 1 0 364.493 4.445 50 0 FIAARO Brc1ccc(OCC[n+]2cccc(-c3ccccc3)c2)cc1 ZINC000007760945 571288264 /nfs/dbraw/zinc/28/82/64/571288264.db2.gz PEVIZZBEWNAFDU-UHFFFAOYSA-N 1 0 355.255 4.483 50 0 FIAARO CC(C)c1ccc([C@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C(C)C)cc1 ZINC000007803985 571289552 /nfs/dbraw/zinc/28/95/52/571289552.db2.gz FBBOWKSAZMVPJN-LJQANCHMSA-N 1 0 355.507 4.366 50 0 FIAARO C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000007922148 571294344 /nfs/dbraw/zinc/29/43/44/571294344.db2.gz ZYAWUWPGVUGHAD-LLVKDONJSA-N 1 0 361.417 4.206 50 0 FIAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000584908319 571320069 /nfs/dbraw/zinc/32/00/69/571320069.db2.gz NCDBXRQTQBFJDZ-UHFFFAOYSA-N 1 0 364.489 4.423 50 0 FIAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000095385633 571329189 /nfs/dbraw/zinc/32/91/89/571329189.db2.gz NXHXVJRWXYVBRN-AWEZNQCLSA-N 1 0 360.383 4.479 50 0 FIAARO CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000095389806 571329258 /nfs/dbraw/zinc/32/92/58/571329258.db2.gz BZZVFZSAXLVLJD-INIZCTEOSA-N 1 0 372.534 4.276 50 0 FIAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 ZINC000095393015 571329268 /nfs/dbraw/zinc/32/92/68/571329268.db2.gz KZFKDZJAMMCACO-OAQYLSRUSA-N 1 0 364.533 4.353 50 0 FIAARO COc1ccc(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1F ZINC000095951869 571332744 /nfs/dbraw/zinc/33/27/44/571332744.db2.gz OHWAOYMXKCYEJT-WMZOPIPTSA-N 1 0 370.251 4.231 50 0 FIAARO CC(C)[C@@H](O)C1(C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000095988231 571333474 /nfs/dbraw/zinc/33/34/74/571333474.db2.gz BVEYUJHFXOYVMI-NVXWUHKLSA-N 1 0 368.315 4.050 50 0 FIAARO O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1ccn2c[nH+]cc2c1 ZINC000096013268 571333950 /nfs/dbraw/zinc/33/39/50/571333950.db2.gz HFJFKZMJYGXREZ-UHFFFAOYSA-N 1 0 371.368 4.093 50 0 FIAARO O=C(Nc1ccccc1Cl)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687796 571337890 /nfs/dbraw/zinc/33/78/90/571337890.db2.gz ZQQIWSQXAOQCLI-KRWDZBQOSA-N 1 0 355.869 4.005 50 0 FIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1OC(F)F ZINC000029065574 571341796 /nfs/dbraw/zinc/34/17/96/571341796.db2.gz MLFLWOSFGOFDOR-UHFFFAOYSA-N 1 0 362.420 4.060 50 0 FIAARO Cc1cc(C)c(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c(C)c1 ZINC000002934056 571341931 /nfs/dbraw/zinc/34/19/31/571341931.db2.gz WDDANUKCLVOFLY-GOSISDBHSA-N 1 0 370.566 4.328 50 0 FIAARO CSc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1 ZINC000002934102 571341960 /nfs/dbraw/zinc/34/19/60/571341960.db2.gz BPJXWMRCGMFPHQ-HNNXBMFYSA-N 1 0 374.579 4.125 50 0 FIAARO CCc1cccc(C)c1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000003050170 571344209 /nfs/dbraw/zinc/34/42/09/571344209.db2.gz ZWZHIEGNGOBERW-QGZVFWFLSA-N 1 0 370.566 4.274 50 0 FIAARO COc1ccc2cc([C@H](C)NC(=O)C3([NH+]4CCCC4)CCCC3)ccc2c1 ZINC000670453153 571352896 /nfs/dbraw/zinc/35/28/96/571352896.db2.gz LIGXRINZDPYVGK-KRWDZBQOSA-N 1 0 366.505 4.434 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000031987244 571354814 /nfs/dbraw/zinc/35/48/14/571354814.db2.gz SUWOVEMSCLELTJ-MRXNPFEDSA-N 1 0 354.878 4.354 50 0 FIAARO O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000004086878 571354971 /nfs/dbraw/zinc/35/49/71/571354971.db2.gz HSUAXACORVUTNN-HXUWFJFHSA-N 1 0 359.852 4.129 50 0 FIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cncc(Cl)c1 ZINC000670465983 571358635 /nfs/dbraw/zinc/35/86/35/571358635.db2.gz LXTLFCYIKFZEQB-IBGZPJMESA-N 1 0 357.885 4.082 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc12 ZINC000008076463 571358841 /nfs/dbraw/zinc/35/88/41/571358841.db2.gz SXJPEXNFEMZRKB-LJQANCHMSA-N 1 0 364.445 4.008 50 0 FIAARO Cc1ccc2c(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)coc2c1C ZINC000008231971 571359958 /nfs/dbraw/zinc/35/99/58/571359958.db2.gz ONIAVTRWGIJILB-LJQANCHMSA-N 1 0 366.461 4.138 50 0 FIAARO O[C@@H](C[NH2+]CC1(c2ccccc2)CCCC1)COc1ccc(Cl)cc1 ZINC000022364035 1082410754 /nfs/dbraw/zinc/41/07/54/1082410754.db2.gz UVWJHSIRFYJJQL-IBGZPJMESA-N 1 0 359.897 4.181 50 0 FIAARO CC(C)COC(C(=O)O[C@H](C)C[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000002462062 1082430251 /nfs/dbraw/zinc/43/02/51/1082430251.db2.gz QFLQCXIOIPLKLY-LJQANCHMSA-N 1 0 369.505 4.096 50 0 FIAARO C[C@H](CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)c1ccccc1 ZINC000194021151 1083049626 /nfs/dbraw/zinc/04/96/26/1083049626.db2.gz XZHXPDWHXMPBBE-QGZVFWFLSA-N 1 0 350.462 4.195 50 0 FIAARO COc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000581788062 1084599177 /nfs/dbraw/zinc/59/91/77/1084599177.db2.gz RGUQJISMLZLSKP-SFHVURJKSA-N 1 0 359.514 4.061 50 0 FIAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581808051 1084623265 /nfs/dbraw/zinc/62/32/65/1084623265.db2.gz PEHAMWIQVLZDQE-QGZVFWFLSA-N 1 0 358.530 4.213 50 0 FIAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000019830751 1089597898 /nfs/dbraw/zinc/59/78/98/1089597898.db2.gz NGESLXVAJOLVMR-QFIPXVFZSA-N 1 0 355.570 4.162 50 0 FIAARO Cc1cnc([C@@H]2CCCO2)n1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000257176198 1090252879 /nfs/dbraw/zinc/25/28/79/1090252879.db2.gz SBWLUHUACPRUNB-NRFANRHFSA-N 1 0 353.510 4.313 50 0 FIAARO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc3[nH]ccc3c2)CCCCCN1 ZINC000257181289 1090279118 /nfs/dbraw/zinc/27/91/18/1090279118.db2.gz MTTKVHCRDCKYFQ-QFIPXVFZSA-N 1 0 361.489 4.401 50 0 FIAARO Cc1nc(CCC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)no1 ZINC000675019924 1090901911 /nfs/dbraw/zinc/90/19/11/1090901911.db2.gz RLTOHTMGOHICDA-UHFFFAOYSA-N 1 0 369.387 4.121 50 0 FIAARO CC(C)[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)N2CCC(C)CC2)C1 ZINC000169765014 1115681761 /nfs/dbraw/zinc/68/17/61/1115681761.db2.gz MWEXHPCZDATREM-LJQANCHMSA-N 1 0 358.526 4.058 50 0 FIAARO COc1ccc(C[C@H]2CCOC3(CC[NH+](Cc4cccn4C)CC3)C2)cc1 ZINC000169791431 1115684629 /nfs/dbraw/zinc/68/46/29/1115684629.db2.gz NRBCJQGJMLRQKF-HXUWFJFHSA-N 1 0 368.521 4.038 50 0 FIAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1C ZINC000011661253 1124885712 /nfs/dbraw/zinc/88/57/12/1124885712.db2.gz YFEOXXQFCXBRIC-IBGZPJMESA-N 1 0 351.446 4.127 50 0 FIAARO c1ccc(COc2cccc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)c2)nc1 ZINC000092785896 1125242928 /nfs/dbraw/zinc/24/29/28/1125242928.db2.gz CQUQVKUJEKQZFH-JOCHJYFZSA-N 1 0 365.521 4.111 50 0 FIAARO Brc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000000757079 219319338 /nfs/dbraw/zinc/31/93/38/219319338.db2.gz AGKSEXFEKDWOCB-UHFFFAOYSA-N 1 0 373.338 4.246 50 0 FIAARO CCOC(=O)N1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000000757907 219319465 /nfs/dbraw/zinc/31/94/65/219319465.db2.gz SISNEQLNMWKDHR-UHFFFAOYSA-N 1 0 366.505 4.352 50 0 FIAARO COc1cc2c(cc1OC)CN(Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000000759094 219319490 /nfs/dbraw/zinc/31/94/90/219319490.db2.gz VOASGCJNNZYNJX-UHFFFAOYSA-N 1 0 367.367 4.161 50 0 FIAARO CCOC(=O)Nc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1CC2 ZINC000000869985 219334252 /nfs/dbraw/zinc/33/42/52/219334252.db2.gz CKELFICVSPGALA-UHFFFAOYSA-N 1 0 367.493 4.443 50 0 FIAARO CCCc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000001073516 219365536 /nfs/dbraw/zinc/36/55/36/219365536.db2.gz MOXXIZVLOOJUTN-UHFFFAOYSA-N 1 0 361.489 4.146 50 0 FIAARO CCOc1cc(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)ccc1OC ZINC000002192635 219430121 /nfs/dbraw/zinc/43/01/21/219430121.db2.gz GVXIRDNERWUKFH-UHFFFAOYSA-N 1 0 368.477 4.225 50 0 FIAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000252487460 222971926 /nfs/dbraw/zinc/97/19/26/222971926.db2.gz HWLANYKCBGQQJJ-UHFFFAOYSA-N 1 0 372.538 4.458 50 0 FIAARO CC[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000008428737 219862376 /nfs/dbraw/zinc/86/23/76/219862376.db2.gz AICVPLFFMRZOSX-INIZCTEOSA-N 1 0 363.461 4.199 50 0 FIAARO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCOc2ccc(Cl)cc2)c1 ZINC000299778444 223091514 /nfs/dbraw/zinc/09/15/14/223091514.db2.gz MRPNNEBEJGQKJF-INIZCTEOSA-N 1 0 360.885 4.376 50 0 FIAARO Clc1cccc(-c2cc3c(c(OC[C@H]4CCCCO4)c2)OCC[NH2+]C3)c1 ZINC000299797942 223101440 /nfs/dbraw/zinc/10/14/40/223101440.db2.gz TZTBINVUALRRMK-LJQANCHMSA-N 1 0 373.880 4.437 50 0 FIAARO Cc1cc(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)on1 ZINC000299796331 223102129 /nfs/dbraw/zinc/10/21/29/223102129.db2.gz QKJQXGFINRCHQM-INIZCTEOSA-N 1 0 356.470 4.021 50 0 FIAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012469325 220000244 /nfs/dbraw/zinc/00/02/44/220000244.db2.gz QRKYNFWSJPMMNX-OAQYLSRUSA-N 1 0 359.897 4.384 50 0 FIAARO CCN(CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000012541033 220004956 /nfs/dbraw/zinc/00/49/56/220004956.db2.gz LAIMPNCXZKKOAK-UHFFFAOYSA-N 1 0 352.457 4.222 50 0 FIAARO CSc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cc1 ZINC000012582124 220009562 /nfs/dbraw/zinc/00/95/62/220009562.db2.gz MDUFFTXBQAMTOS-HXUWFJFHSA-N 1 0 368.546 4.188 50 0 FIAARO CCCn1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c(C)n1 ZINC000012593313 220011620 /nfs/dbraw/zinc/01/16/20/220011620.db2.gz NBUKVUOHDOCPQO-HNNXBMFYSA-N 1 0 355.461 4.086 50 0 FIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000012591145 220011565 /nfs/dbraw/zinc/01/15/65/220011565.db2.gz WAVZXGONCMYUQN-QFIPXVFZSA-N 1 0 350.506 4.132 50 0 FIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H](c1cccs1)C1CC1 ZINC000012736680 220022834 /nfs/dbraw/zinc/02/28/34/220022834.db2.gz YQHBAKJYNFUGFP-HXUWFJFHSA-N 1 0 369.534 4.294 50 0 FIAARO CC(=O)c1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cs1 ZINC000012706224 220019541 /nfs/dbraw/zinc/01/95/41/220019541.db2.gz JRSSFAYQFFNANL-FQEVSTJZSA-N 1 0 370.562 4.337 50 0 FIAARO CCN(C(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)C1=CCCC1 ZINC000012776937 220028410 /nfs/dbraw/zinc/02/84/10/220028410.db2.gz ALYYCRMKTDMSGE-UHFFFAOYSA-N 1 0 351.494 4.264 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000012758056 220025567 /nfs/dbraw/zinc/02/55/67/220025567.db2.gz YKZDVPVLNJBZIH-QHCPKHFHSA-N 1 0 372.512 4.108 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000012925201 220044592 /nfs/dbraw/zinc/04/45/92/220044592.db2.gz OTBJZSGZWWJSOA-INIZCTEOSA-N 1 0 355.240 4.165 50 0 FIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000012973541 220047472 /nfs/dbraw/zinc/04/74/72/220047472.db2.gz XWGHQFDZTZIJDB-GOSISDBHSA-N 1 0 361.848 4.438 50 0 FIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccccc1F ZINC000012981220 220048296 /nfs/dbraw/zinc/04/82/96/220048296.db2.gz LQUUCEXZKJEJCI-GOSISDBHSA-N 1 0 361.848 4.438 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000013020191 220054986 /nfs/dbraw/zinc/05/49/86/220054986.db2.gz RSRKVJNOMGPRTD-MGPUTAFESA-N 1 0 356.441 4.307 50 0 FIAARO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000013325003 220063867 /nfs/dbraw/zinc/06/38/67/220063867.db2.gz QETLDUIPGMLYRX-UHFFFAOYSA-N 1 0 359.857 4.125 50 0 FIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000013324250 220064222 /nfs/dbraw/zinc/06/42/22/220064222.db2.gz DVSYBOYPFGITEO-UHFFFAOYSA-N 1 0 353.422 4.045 50 0 FIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](C2CCSCC2)CC1 ZINC000013595723 220077159 /nfs/dbraw/zinc/07/71/59/220077159.db2.gz AHEGYYASSGGKDE-UHFFFAOYSA-N 1 0 361.551 4.160 50 0 FIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000014190265 220114835 /nfs/dbraw/zinc/11/48/35/220114835.db2.gz YUWZMTVODYIJMW-QGZVFWFLSA-N 1 0 356.853 4.427 50 0 FIAARO O=C(/C=C/c1ccc(Cl)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014261201 220122187 /nfs/dbraw/zinc/12/21/87/220122187.db2.gz ODHYQXCGVWRVAB-VQHVLOKHSA-N 1 0 360.910 4.196 50 0 FIAARO Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138181 /nfs/dbraw/zinc/13/81/81/220138181.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 1 0 372.459 4.159 50 0 FIAARO CC(C)CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000014995821 220140098 /nfs/dbraw/zinc/14/00/98/220140098.db2.gz WHXUVTYGXYWGRB-KRWDZBQOSA-N 1 0 356.432 4.222 50 0 FIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cccc(C(C)=O)c3)c2C)cc1 ZINC000015069912 220146117 /nfs/dbraw/zinc/14/61/17/220146117.db2.gz OCHGJCUGDLRCRI-HNNXBMFYSA-N 1 0 363.461 4.243 50 0 FIAARO C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)OC21CC(C)(C)[NH2+]C(C)(C)C1 ZINC000015106214 220148449 /nfs/dbraw/zinc/14/84/49/220148449.db2.gz LGIABOLBJXWIES-NRFANRHFSA-N 1 0 367.493 4.071 50 0 FIAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)NCc1ccc(F)cc1 ZINC000015063472 220143525 /nfs/dbraw/zinc/14/35/25/220143525.db2.gz WIINEIWPOWENAE-HXUWFJFHSA-N 1 0 358.501 4.290 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2C)cc1 ZINC000015300646 220151408 /nfs/dbraw/zinc/15/14/08/220151408.db2.gz OYFFPOCBRQYALS-LAUBAEHRSA-N 1 0 352.478 4.018 50 0 FIAARO Cc1c(O)ccc2c(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 ZINC000015550540 220156134 /nfs/dbraw/zinc/15/61/34/220156134.db2.gz XGOKNTIKVIXIRQ-HXUWFJFHSA-N 1 0 355.409 4.433 50 0 FIAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015539456 220156261 /nfs/dbraw/zinc/15/62/61/220156261.db2.gz NPFQITMNVNKDMI-DEOSSOPVSA-N 1 0 370.496 4.287 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)o1 ZINC000015860265 220168470 /nfs/dbraw/zinc/16/84/70/220168470.db2.gz SOERLYIOMMVLHY-RQJZOYDLSA-N 1 0 356.510 4.058 50 0 FIAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCCC3)n2)cc1 ZINC000015781558 220165536 /nfs/dbraw/zinc/16/55/36/220165536.db2.gz BDFAJDFXGPTAEP-UHFFFAOYSA-N 1 0 362.477 4.203 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+]2CCCCC2)o1 ZINC000015860187 220168927 /nfs/dbraw/zinc/16/89/27/220168927.db2.gz FVDONFNAYZSDOO-HXUWFJFHSA-N 1 0 370.493 4.332 50 0 FIAARO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862349 220169905 /nfs/dbraw/zinc/16/99/05/220169905.db2.gz UJFKVJNDOBGKDX-UHFFFAOYSA-N 1 0 356.853 4.212 50 0 FIAARO O=C(NCc1ccccc1)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016622964 220189252 /nfs/dbraw/zinc/18/92/52/220189252.db2.gz KUKUKXLUZRAWKU-UHFFFAOYSA-N 1 0 371.912 4.051 50 0 FIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000016662702 220189339 /nfs/dbraw/zinc/18/93/39/220189339.db2.gz UOCIFKVMNNJQIT-ZDUSSCGKSA-N 1 0 364.283 4.187 50 0 FIAARO c1c2ccccc2[nH]c1SCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019370530 220253866 /nfs/dbraw/zinc/25/38/66/220253866.db2.gz HQJHECLPPWWBMM-UHFFFAOYSA-N 1 0 365.546 4.468 50 0 FIAARO C[N@H+](Cc1cccc2cccnc21)C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000019838659 220302201 /nfs/dbraw/zinc/30/22/01/220302201.db2.gz ZQKRVUJSMSSQEB-QFIPXVFZSA-N 1 0 350.437 4.164 50 0 FIAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865480 220304309 /nfs/dbraw/zinc/30/43/09/220304309.db2.gz VFZCHBMRNKYGDO-JOCHJYFZSA-N 1 0 362.517 4.343 50 0 FIAARO Cc1oc(-c2ccoc2)nc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000020255470 220320767 /nfs/dbraw/zinc/32/07/67/220320767.db2.gz VJKFMMYUMVXQSB-UHFFFAOYSA-N 1 0 362.433 4.499 50 0 FIAARO Cc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021169786 220354573 /nfs/dbraw/zinc/35/45/73/220354573.db2.gz NOXQTTDWSQRJNF-ZEQRLZLVSA-N 1 0 367.533 4.345 50 0 FIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Nc3ccccc3F)CC2)c1 ZINC000021174974 220354846 /nfs/dbraw/zinc/35/48/46/220354846.db2.gz HIQSJALFBCLPDW-UHFFFAOYSA-N 1 0 369.484 4.476 50 0 FIAARO Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170819 220355112 /nfs/dbraw/zinc/35/51/12/220355112.db2.gz UHIQVIYSIIDJEF-OAQYLSRUSA-N 1 0 372.553 4.329 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc(OC)c1 ZINC000020999636 220348076 /nfs/dbraw/zinc/34/80/76/220348076.db2.gz RBJWZOQLXZYUSU-KRWDZBQOSA-N 1 0 357.498 4.005 50 0 FIAARO O=C1CC[N@@H+](Cc2cccs2)CCN1Cc1ccccc1C(F)(F)F ZINC000020999680 220348277 /nfs/dbraw/zinc/34/82/77/220348277.db2.gz SOPMNECAKOCPOH-UHFFFAOYSA-N 1 0 368.424 4.001 50 0 FIAARO Cc1nn2c(nc(C(C)(C)C)cc2NCC[NH+](C)C)c1-c1ccc(F)cc1 ZINC000021799240 220367127 /nfs/dbraw/zinc/36/71/27/220367127.db2.gz GDQSAJGSKAABGQ-UHFFFAOYSA-N 1 0 369.488 4.115 50 0 FIAARO FC(F)(F)c1ccccc1[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000022115507 220377658 /nfs/dbraw/zinc/37/76/58/220377658.db2.gz VADSPJCOYHVKIX-QGZVFWFLSA-N 1 0 354.803 4.353 50 0 FIAARO C[C@H](NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000022197807 220379168 /nfs/dbraw/zinc/37/91/68/220379168.db2.gz HBXOTBZHHICZSD-IBGZPJMESA-N 1 0 350.506 4.209 50 0 FIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000022089105 220376530 /nfs/dbraw/zinc/37/65/30/220376530.db2.gz BISYYRCOAMRFGY-NRFANRHFSA-N 1 0 364.493 4.009 50 0 FIAARO CCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000022766960 220396917 /nfs/dbraw/zinc/39/69/17/220396917.db2.gz UENNDDZKCMTHOF-QGZVFWFLSA-N 1 0 359.495 4.105 50 0 FIAARO CC(C)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000023192437 220418718 /nfs/dbraw/zinc/41/87/18/220418718.db2.gz VVJMJHUFVLXXFO-UHFFFAOYSA-N 1 0 362.477 4.252 50 0 FIAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2C)cc1 ZINC000026311295 220509788 /nfs/dbraw/zinc/50/97/88/220509788.db2.gz VUNGEBBHVQZZLM-SFHVURJKSA-N 1 0 374.550 4.185 50 0 FIAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1C ZINC000027580612 220539090 /nfs/dbraw/zinc/53/90/90/220539090.db2.gz IZYDVFJUUWJYMY-GOSISDBHSA-N 1 0 372.534 4.087 50 0 FIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000032763293 220677510 /nfs/dbraw/zinc/67/75/10/220677510.db2.gz BZANGZFZOMLLAJ-OAHLLOKOSA-N 1 0 352.862 4.108 50 0 FIAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(F)cc1 ZINC000044934190 220965185 /nfs/dbraw/zinc/96/51/85/220965185.db2.gz ZRVFJIBLYBKRRL-OAHLLOKOSA-N 1 0 358.432 4.054 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 ZINC000048299811 221005708 /nfs/dbraw/zinc/00/57/08/221005708.db2.gz RRSSGAGWCSJGBG-LJQANCHMSA-N 1 0 355.507 4.053 50 0 FIAARO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000048781326 221014060 /nfs/dbraw/zinc/01/40/60/221014060.db2.gz QWRBGZLFXCJHRS-UHFFFAOYSA-N 1 0 365.477 4.064 50 0 FIAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000048784752 221014579 /nfs/dbraw/zinc/01/45/79/221014579.db2.gz SPAQFFKGOXBRIF-UHFFFAOYSA-N 1 0 363.408 4.108 50 0 FIAARO C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000048237300 221002073 /nfs/dbraw/zinc/00/20/73/221002073.db2.gz FYCYQQRHCFJUHJ-VGOFRKELSA-N 1 0 370.537 4.139 50 0 FIAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000055107694 221058463 /nfs/dbraw/zinc/05/84/63/221058463.db2.gz KCGKYNZVRUJZQT-HNNXBMFYSA-N 1 0 359.491 4.169 50 0 FIAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000055107696 221059059 /nfs/dbraw/zinc/05/90/59/221059059.db2.gz KCGKYNZVRUJZQT-OAHLLOKOSA-N 1 0 359.491 4.169 50 0 FIAARO COCc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059235 /nfs/dbraw/zinc/05/92/35/221059235.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 1 0 372.484 4.053 50 0 FIAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)n1 ZINC000055182666 221061480 /nfs/dbraw/zinc/06/14/80/221061480.db2.gz FKBPVYWFMQVRPT-KRWDZBQOSA-N 1 0 371.488 4.288 50 0 FIAARO Cc1noc(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000053720475 221048566 /nfs/dbraw/zinc/04/85/66/221048566.db2.gz DYYALFZUCZNFRQ-OAHLLOKOSA-N 1 0 355.482 4.237 50 0 FIAARO COc1cc(C[NH2+]Cc2ccccc2C(F)(F)F)cc(OC)c1OC ZINC000055429600 221070495 /nfs/dbraw/zinc/07/04/95/221070495.db2.gz PBVRPYBMGWZXPV-UHFFFAOYSA-N 1 0 355.356 4.021 50 0 FIAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000056851810 221082096 /nfs/dbraw/zinc/08/20/96/221082096.db2.gz FUJRHYVIMWWOQB-STQMWFEESA-N 1 0 366.383 4.392 50 0 FIAARO O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000057940716 221094984 /nfs/dbraw/zinc/09/49/84/221094984.db2.gz RHTWNPZPZPSNGP-LJQANCHMSA-N 1 0 370.541 4.159 50 0 FIAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057992095 221096566 /nfs/dbraw/zinc/09/65/66/221096566.db2.gz YICQWIYCXHRRBM-UHFFFAOYSA-N 1 0 368.569 4.255 50 0 FIAARO Cc1ccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)cc1 ZINC000058096675 221098250 /nfs/dbraw/zinc/09/82/50/221098250.db2.gz QEEATUJLQKVBSN-UHFFFAOYSA-N 1 0 353.535 4.474 50 0 FIAARO CSc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000058143503 221099578 /nfs/dbraw/zinc/09/95/78/221099578.db2.gz YZQJRLCHUHHLAZ-UHFFFAOYSA-N 1 0 355.459 4.161 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062231302 221139133 /nfs/dbraw/zinc/13/91/33/221139133.db2.gz IPECTTDKKGVPAH-QFIPXVFZSA-N 1 0 372.512 4.411 50 0 FIAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590905 221148939 /nfs/dbraw/zinc/14/89/39/221148939.db2.gz PGQUTCHDCAIJCD-UHFFFAOYSA-N 1 0 373.859 4.145 50 0 FIAARO COc1c2cc(Cl)ccc2sc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000064756689 221151457 /nfs/dbraw/zinc/15/14/57/221151457.db2.gz UQLCMUMNMNTRQH-LBPRGKRZSA-N 1 0 366.914 4.168 50 0 FIAARO CC[C@H](NC(=O)C1=CC[N@H+](Cc2cccc(C)c2)CC1)c1cccs1 ZINC000064818035 221152497 /nfs/dbraw/zinc/15/24/97/221152497.db2.gz BULAFTJQAUGMOL-IBGZPJMESA-N 1 0 354.519 4.456 50 0 FIAARO CCCCc1nc(-c2c(-c3ccccc3)ncn2CC2CC[NH2+]CC2)c[nH]1 ZINC000065373745 221205383 /nfs/dbraw/zinc/20/53/83/221205383.db2.gz CPIIXVRCJSRQKA-UHFFFAOYSA-N 1 0 363.509 4.282 50 0 FIAARO CCCN(Cc1cccnc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065493603 221225932 /nfs/dbraw/zinc/22/59/32/221225932.db2.gz KTUNBACGKZDMBL-UHFFFAOYSA-N 1 0 351.494 4.120 50 0 FIAARO CCc1ccccc1-c1cnc(N2CC[NH+](C)CC2)nc1-c1ccc(C)cc1 ZINC000065525650 221229439 /nfs/dbraw/zinc/22/94/39/221229439.db2.gz UNUNCISZWMRSEK-UHFFFAOYSA-N 1 0 372.516 4.433 50 0 FIAARO O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066945368 221246202 /nfs/dbraw/zinc/24/62/02/221246202.db2.gz NRSNCPLMVSMSCR-OAHLLOKOSA-N 1 0 358.869 4.300 50 0 FIAARO c1cn(CC[N@@H+]2CCc3onc(-c4ccc(-c5ccccc5)cc4)c3C2)cn1 ZINC000067724969 221277772 /nfs/dbraw/zinc/27/77/72/221277772.db2.gz AEAFMKDVYFQMIW-UHFFFAOYSA-N 1 0 370.456 4.263 50 0 FIAARO Cc1cc([C@H](C)NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)o1 ZINC000067729385 221278297 /nfs/dbraw/zinc/27/82/97/221278297.db2.gz RXTKXQDNQARLAJ-INIZCTEOSA-N 1 0 355.482 4.053 50 0 FIAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067841369 221292662 /nfs/dbraw/zinc/29/26/62/221292662.db2.gz XFXIZHAWAAVUCR-GOSISDBHSA-N 1 0 371.488 4.163 50 0 FIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(C(F)(F)F)cn1 ZINC000067872786 221298781 /nfs/dbraw/zinc/29/87/81/221298781.db2.gz ITXYKTHWZZRARP-UHFFFAOYSA-N 1 0 352.356 4.497 50 0 FIAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](CCC(C)C)C3)n1 ZINC000067919759 221304208 /nfs/dbraw/zinc/30/42/08/221304208.db2.gz XGQOIPHWUMYIRT-UHFFFAOYSA-N 1 0 356.466 4.006 50 0 FIAARO c1ccc(COc2ccc(C[NH2+]C[C@@H]3COc4ccccc4C3)cc2)nc1 ZINC000068258263 221313991 /nfs/dbraw/zinc/31/39/91/221313991.db2.gz JLQGANGYTFVNMM-LJQANCHMSA-N 1 0 360.457 4.002 50 0 FIAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071775874 221374942 /nfs/dbraw/zinc/37/49/42/221374942.db2.gz IWVPHLCWUSVJIK-GOSISDBHSA-N 1 0 362.489 4.091 50 0 FIAARO COCCn1ccnc1[C@@H]1CCCN(c2cc[nH+]c3c(C)c(C)ccc23)C1 ZINC000095527026 132214715 /nfs/dbraw/zinc/21/47/15/132214715.db2.gz LPBNLGMQETYEOK-GOSISDBHSA-N 1 0 364.493 4.079 50 0 FIAARO CC[C@@H](C)c1ccc(NC(=S)N2CCN(c3ccccn3)CC2)cc1 ZINC000100776922 132233087 /nfs/dbraw/zinc/23/30/87/132233087.db2.gz BXDZSEGUROVOQQ-MRXNPFEDSA-N 1 0 354.523 4.114 50 0 FIAARO Cc1cc(N2CCC(CNC(=O)Nc3ccccc3Cl)CC2)cc[nH+]1 ZINC000253403761 132377215 /nfs/dbraw/zinc/37/72/15/132377215.db2.gz QKDAQRQNXGSGDE-UHFFFAOYSA-N 1 0 358.873 4.082 50 0 FIAARO CC[NH+]1CCN(c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000000752809 132378276 /nfs/dbraw/zinc/37/82/76/132378276.db2.gz JYQSOZQQJFNJJJ-UHFFFAOYSA-N 1 0 352.869 4.092 50 0 FIAARO Clc1ccc2[nH]c3c(ncnc3N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000002311701 132383199 /nfs/dbraw/zinc/38/31/99/132383199.db2.gz DESIZIOGJNEJEK-UHFFFAOYSA-N 1 0 369.900 4.219 50 0 FIAARO CCCC1([NH2+]C2CCN(c3ccc(N4C(=O)CC[C@@H]4C)cc3)CC2)CC1 ZINC000055393495 136126679 /nfs/dbraw/zinc/12/66/79/136126679.db2.gz MBBYXJAHWYJXFN-KRWDZBQOSA-N 1 0 355.526 4.093 50 0 FIAARO Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1C ZINC000057547070 136129590 /nfs/dbraw/zinc/12/95/90/136129590.db2.gz BLIQMJUDTOBNCV-UHFFFAOYSA-N 1 0 364.468 4.155 50 0 FIAARO O=C(CC[C@H]1CCCN(c2cc[nH+]cc2)C1)NCc1ccccc1Cl ZINC000096130734 136151118 /nfs/dbraw/zinc/15/11/18/136151118.db2.gz DCPFPQWHGVQAEC-MRXNPFEDSA-N 1 0 357.885 4.048 50 0 FIAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000095352955 221853131 /nfs/dbraw/zinc/85/31/31/221853131.db2.gz NSKIPSYYMKTCCX-LJQANCHMSA-N 1 0 367.443 4.414 50 0 FIAARO O=C(c1cc(F)ccc1Cl)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095372477 221874518 /nfs/dbraw/zinc/87/45/18/221874518.db2.gz FQZQQVVAIWVOHD-FUHWJXTLSA-N 1 0 372.871 4.216 50 0 FIAARO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000095467123 221915229 /nfs/dbraw/zinc/91/52/29/221915229.db2.gz MWZNJIZVUFCYLV-UHFFFAOYSA-N 1 0 363.449 4.065 50 0 FIAARO COc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c(F)c1 ZINC000096131156 222036252 /nfs/dbraw/zinc/03/62/52/222036252.db2.gz XVOKQGIKNPDFBJ-HXUWFJFHSA-N 1 0 371.456 4.183 50 0 FIAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1cccc(-c2cccc(OC)c2)c1 ZINC000096141193 222045490 /nfs/dbraw/zinc/04/54/90/222045490.db2.gz GESJPBMIDNSTLA-QGZVFWFLSA-N 1 0 367.493 4.168 50 0 FIAARO CN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000096142176 222045889 /nfs/dbraw/zinc/04/58/89/222045889.db2.gz NKFCVWNHUUFCOY-UHFFFAOYSA-N 1 0 368.481 4.214 50 0 FIAARO c1ccc(C[NH+]2CCC(CCNc3nccc(-c4cccnc4)n3)CC2)cc1 ZINC000096150078 222051602 /nfs/dbraw/zinc/05/16/02/222051602.db2.gz XADHVRFRLODLES-UHFFFAOYSA-N 1 0 373.504 4.253 50 0 FIAARO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C\c2ccc(OC)c(F)c2)cc1 ZINC000096912145 222138913 /nfs/dbraw/zinc/13/89/13/222138913.db2.gz NMUUILLKVRWKQK-QBFSEMIESA-N 1 0 370.468 4.006 50 0 FIAARO CCOc1cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971434 222146968 /nfs/dbraw/zinc/14/69/68/222146968.db2.gz GITJIQDMVLTHPX-SFHVURJKSA-N 1 0 362.901 4.140 50 0 FIAARO C[NH+](C)C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000096997353 222149878 /nfs/dbraw/zinc/14/98/78/222149878.db2.gz KSEJGYKHLHOGMF-INIZCTEOSA-N 1 0 352.265 4.418 50 0 FIAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1cccc2ccccc12)c1ccsc1 ZINC000097026864 222151808 /nfs/dbraw/zinc/15/18/08/222151808.db2.gz WCFLZWKQTZPMDR-JPMGXVIASA-N 1 0 350.487 4.334 50 0 FIAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc1 ZINC000011817876 263368395 /nfs/dbraw/zinc/36/83/95/263368395.db2.gz DYGGDIZATHHTRS-QFIPXVFZSA-N 1 0 368.521 4.258 50 0 FIAARO CCc1oc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1C[NH+]1CCCC1 ZINC000426599784 263642539 /nfs/dbraw/zinc/64/25/39/263642539.db2.gz SXCNNVQHFTZLKB-IBGZPJMESA-N 1 0 367.493 4.200 50 0 FIAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCCO4)c2)OCC[NH2+]C3)s1 ZINC000299766488 534184587 /nfs/dbraw/zinc/18/45/87/534184587.db2.gz JEROMLAUCMDXGX-KRWDZBQOSA-N 1 0 359.491 4.153 50 0 FIAARO Cc1ccc(-c2cncc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)c2)cc1 ZINC000328591327 534196564 /nfs/dbraw/zinc/19/65/64/534196564.db2.gz BILVPAIQTMWEGY-UHFFFAOYSA-N 1 0 363.505 4.005 50 0 FIAARO CC(=O)c1cccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000020272458 518420887 /nfs/dbraw/zinc/42/08/87/518420887.db2.gz NNPMJPQFZXZWDA-QHCPKHFHSA-N 1 0 350.506 4.028 50 0 FIAARO CC[NH2+]CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000253415722 519911533 /nfs/dbraw/zinc/91/15/33/519911533.db2.gz FESFVHJCEOTYDL-OFULPQPTSA-N 1 0 373.500 4.419 50 0 FIAARO CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccc1OCc1ccccc1 ZINC000078761219 520728409 /nfs/dbraw/zinc/72/84/09/520728409.db2.gz SXFBUBQJVWAWSR-WOJBJXKFSA-N 1 0 355.478 4.057 50 0 FIAARO CCOc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccc1OCc1ccccc1 ZINC000078761212 520730595 /nfs/dbraw/zinc/73/05/95/520730595.db2.gz SXFBUBQJVWAWSR-PMACEKPBSA-N 1 0 355.478 4.057 50 0 FIAARO COc1ccc(-c2nc(C[N@H+](C)C3CCOCC3)c(C)o2)c2ccccc12 ZINC000020206339 523198206 /nfs/dbraw/zinc/19/82/06/523198206.db2.gz VRUKUHBTALHKLG-UHFFFAOYSA-N 1 0 366.461 4.423 50 0 FIAARO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252470002 524159212 /nfs/dbraw/zinc/15/92/12/524159212.db2.gz IFZOUZDBWPENAB-UWAICQJNSA-N 1 0 358.551 4.359 50 0 FIAARO C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(C[NH2+][C@@H](c1ccccc1)C(C)(C)C)C2=O ZINC000252444491 524363324 /nfs/dbraw/zinc/36/33/24/524363324.db2.gz MNRPXOCBBMECMK-QCMGHPBJSA-N 1 0 371.525 4.068 50 0 FIAARO COc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000241869066 524759670 /nfs/dbraw/zinc/75/96/70/524759670.db2.gz SUDWFVNSRVJNFN-HZPDHXFCSA-N 1 0 371.477 4.272 50 0 FIAARO CC(=O)c1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)cs1 ZINC000072410608 534818382 /nfs/dbraw/zinc/81/83/82/534818382.db2.gz VCONFNIFEGGLKB-UHFFFAOYSA-N 1 0 369.534 4.289 50 0 FIAARO COc1coc(CNc2ccccc2C[N@H+](C)C2CCCCC2)cc1=O ZINC000079108065 524943192 /nfs/dbraw/zinc/94/31/92/524943192.db2.gz XLEBCHAQNTZJBC-UHFFFAOYSA-N 1 0 356.466 4.025 50 0 FIAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(CC(C)C)s2)C1 ZINC000091411021 527211570 /nfs/dbraw/zinc/21/15/70/527211570.db2.gz WYHKAXSEMRXDON-ZWKOTPCHSA-N 1 0 372.582 4.075 50 0 FIAARO Cn1cc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3CC3CCCC3)s2)cn1 ZINC000020168778 527273914 /nfs/dbraw/zinc/27/39/14/527273914.db2.gz YTRCQOFJLVBHFQ-INIZCTEOSA-N 1 0 358.511 4.061 50 0 FIAARO CC(C)C[NH+]1CCC2(CC1)Nc1ccccc1N(CCC(C)(C)C)C2=O ZINC000063845272 535072651 /nfs/dbraw/zinc/07/26/51/535072651.db2.gz ZKPYALILQGDGSL-UHFFFAOYSA-N 1 0 357.542 4.372 50 0 FIAARO COc1cccc(-c2ccc(N3CCC([N@@H+]4CCCOCC4)CC3)cc2)c1 ZINC000082039340 537065740 /nfs/dbraw/zinc/06/57/40/537065740.db2.gz ZFILSWVIEIXSSX-UHFFFAOYSA-N 1 0 366.505 4.053 50 0 FIAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000214997463 568039712 /nfs/dbraw/zinc/03/97/12/568039712.db2.gz SHSOUXPPSJUPFL-UHFFFAOYSA-N 1 0 368.912 4.233 50 0 FIAARO Cc1c2ccccc2oc1CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000215524397 568075105 /nfs/dbraw/zinc/07/51/05/568075105.db2.gz FDYAKCLSDGQHMG-OAQYLSRUSA-N 1 0 360.501 4.416 50 0 FIAARO CN(Cc1cccc(Cl)c1Cl)C[C@@H](O)COCc1ccccc1 ZINC000006939090 568120783 /nfs/dbraw/zinc/12/07/83/568120783.db2.gz WAYZABODHJKSJA-MRXNPFEDSA-N 1 0 354.277 4.003 50 0 FIAARO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007816576 568258092 /nfs/dbraw/zinc/25/80/92/568258092.db2.gz DSZMUIFDJFNZQA-IENJSVCTSA-N 1 0 362.395 4.138 50 0 FIAARO CC[NH+]1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 ZINC000022877272 568312817 /nfs/dbraw/zinc/31/28/17/568312817.db2.gz FSUUEVPKEDJMBW-UHFFFAOYSA-N 1 0 374.912 4.065 50 0 FIAARO CCOc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)cc1OCC ZINC000024840324 568497028 /nfs/dbraw/zinc/49/70/28/568497028.db2.gz RODRGIYOQFPXHQ-UHFFFAOYSA-N 1 0 370.493 4.333 50 0 FIAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](Cc1ccsc1)CC2 ZINC000091943395 570442905 /nfs/dbraw/zinc/44/29/05/570442905.db2.gz ANNYGQBYNIYXQZ-QPJJXVBHSA-N 1 0 366.530 4.276 50 0 FIAARO CC(C)=CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000092002562 570444898 /nfs/dbraw/zinc/44/48/98/570444898.db2.gz PEKZAMWTJYTWLA-NRFANRHFSA-N 1 0 352.522 4.213 50 0 FIAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095359617 570453915 /nfs/dbraw/zinc/45/39/15/570453915.db2.gz JDUSVTYBFRGZCN-RBZQAINGSA-N 1 0 362.517 4.066 50 0 FIAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nccc1-c1ccccc1)C2 ZINC000095364555 570454937 /nfs/dbraw/zinc/45/49/37/570454937.db2.gz OAYIZUFBVXTHTN-UYAOXDASSA-N 1 0 363.505 4.003 50 0 FIAARO O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095369634 570456202 /nfs/dbraw/zinc/45/62/02/570456202.db2.gz XTGOBCCYRPVINK-SJLPKXTDSA-N 1 0 372.871 4.216 50 0 FIAARO O=C(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095374872 570457436 /nfs/dbraw/zinc/45/74/36/570457436.db2.gz PECSRCQTIGAZHK-FUHWJXTLSA-N 1 0 372.871 4.216 50 0 FIAARO CSc1ccc2c(c1)CCN(C(=O)c1ccc([C@H]3CCC[NH2+]C3)cc1)C2 ZINC000095377164 570457843 /nfs/dbraw/zinc/45/78/43/570457843.db2.gz NZIHFXICAASLKQ-IBGZPJMESA-N 1 0 366.530 4.074 50 0 FIAARO Fc1cccc([C@@H]2C[N@H+](Cc3ccsc3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095385884 570460355 /nfs/dbraw/zinc/46/03/55/570460355.db2.gz RBNHLNBOBOUKIF-PWIZWCRZSA-N 1 0 360.473 4.089 50 0 FIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001655390 570503672 /nfs/dbraw/zinc/50/36/72/570503672.db2.gz PSQWUJYJGGAOTN-KDURUIRLSA-N 1 0 350.506 4.111 50 0 FIAARO CC[NH+](CC)CCOc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 ZINC000001691528 570505007 /nfs/dbraw/zinc/50/50/07/570505007.db2.gz PWMOTLQYHOGCIO-UHFFFAOYSA-N 1 0 351.446 4.489 50 0 FIAARO CCCC[NH+](CCCC)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000002462036 570521464 /nfs/dbraw/zinc/52/14/64/570521464.db2.gz OPQOYUFUFWQEFT-UHFFFAOYSA-N 1 0 368.525 4.068 50 0 FIAARO Ic1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000002494261 570522434 /nfs/dbraw/zinc/52/24/34/570522434.db2.gz CQIGCVSUNJEQHQ-UHFFFAOYSA-N 1 0 373.278 4.326 50 0 FIAARO Cc1ccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 ZINC000002580975 570525813 /nfs/dbraw/zinc/52/58/13/570525813.db2.gz HSYYVIJYVPBYQH-OAQYLSRUSA-N 1 0 352.478 4.401 50 0 FIAARO Cc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034682921 570532185 /nfs/dbraw/zinc/53/21/85/570532185.db2.gz CWMKAQWMWUJYFA-UHFFFAOYSA-N 1 0 365.521 4.434 50 0 FIAARO C[NH2+]C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 ZINC000237149782 570543499 /nfs/dbraw/zinc/54/34/99/570543499.db2.gz QQXPYQQTUNCMIS-UHFFFAOYSA-N 1 0 362.832 4.095 50 0 FIAARO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4CCC(C)CC4)oc3nc2c1 ZINC000004906407 570557872 /nfs/dbraw/zinc/55/78/72/570557872.db2.gz NCHDJUXGEVSBPH-UHFFFAOYSA-N 1 0 365.477 4.141 50 0 FIAARO c1ccc2sc(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000004967393 570568754 /nfs/dbraw/zinc/56/87/54/570568754.db2.gz JKCDJIJATSFBGF-INIZCTEOSA-N 1 0 366.486 4.316 50 0 FIAARO Cc1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004122066 570577282 /nfs/dbraw/zinc/57/72/82/570577282.db2.gz UXWDVQVDWOURDH-QHCPKHFHSA-N 1 0 361.485 4.437 50 0 FIAARO CCCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005035027 570578218 /nfs/dbraw/zinc/57/82/18/570578218.db2.gz XEVLACCZPZZGJT-UHFFFAOYSA-N 1 0 373.928 4.229 50 0 FIAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004223009 570581338 /nfs/dbraw/zinc/58/13/38/570581338.db2.gz NSXWEEAPXQWNAA-UHFFFAOYSA-N 1 0 370.537 4.039 50 0 FIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000005093575 570583780 /nfs/dbraw/zinc/58/37/80/570583780.db2.gz QOYKGDXYXGESTA-FQEVSTJZSA-N 1 0 365.452 4.181 50 0 FIAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000005115308 570586423 /nfs/dbraw/zinc/58/64/23/570586423.db2.gz XRLQWMCMIPNKNQ-UHFFFAOYSA-N 1 0 365.911 4.220 50 0 FIAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000004553794 570596049 /nfs/dbraw/zinc/59/60/49/570596049.db2.gz AMFZOWBHJQOTBS-UHFFFAOYSA-N 1 0 368.521 4.190 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC)c1ccccc1Cl ZINC000011917286 570602061 /nfs/dbraw/zinc/60/20/61/570602061.db2.gz RJTBNQGKLBYREH-SFHVURJKSA-N 1 0 360.885 4.162 50 0 FIAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1 ZINC000004725565 570603360 /nfs/dbraw/zinc/60/33/60/570603360.db2.gz ZWOQLDSIEYREFA-UHFFFAOYSA-N 1 0 368.908 4.137 50 0 FIAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000004899235 570612768 /nfs/dbraw/zinc/61/27/68/570612768.db2.gz JNEYXKOAZVGKBG-IBGZPJMESA-N 1 0 351.490 4.410 50 0 FIAARO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000133601889 570618749 /nfs/dbraw/zinc/61/87/49/570618749.db2.gz WQZUXNKRWQOANO-MSOLQXFVSA-N 1 0 350.384 4.109 50 0 FIAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(NC[C@@H]2CCCO2)c(F)c1F ZINC000005065480 570620484 /nfs/dbraw/zinc/62/04/84/570620484.db2.gz ZFHMXJQVTWJMTK-ZCRIDZFUSA-N 1 0 360.395 4.189 50 0 FIAARO CC[NH+](CC)CCc1ccc(NC(=O)NCc2cc(C(C)C)no2)cc1 ZINC000252494646 570623142 /nfs/dbraw/zinc/62/31/42/570623142.db2.gz OATDJLSUVADEKI-UHFFFAOYSA-N 1 0 358.486 4.004 50 0 FIAARO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000253392210 570625436 /nfs/dbraw/zinc/62/54/36/570625436.db2.gz HFSFNHORMIHPAT-SJORKVTESA-N 1 0 356.897 4.495 50 0 FIAARO CCOC(=O)Nc1ccc2c(C[N@H+](C)C3CCCCC3)cc(=O)oc2c1 ZINC000003344748 570660752 /nfs/dbraw/zinc/66/07/52/570660752.db2.gz CCSPHTRJHKNLNQ-UHFFFAOYSA-N 1 0 358.438 4.126 50 0 FIAARO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1C ZINC000011754170 570706079 /nfs/dbraw/zinc/70/60/79/570706079.db2.gz QEFCIWGVIHLZNR-IBGZPJMESA-N 1 0 369.509 4.094 50 0 FIAARO C=Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000011842521 570709217 /nfs/dbraw/zinc/70/92/17/570709217.db2.gz GLKXJLBSCYNWLN-QFIPXVFZSA-N 1 0 360.501 4.033 50 0 FIAARO c1c2ccccc2oc1C[NH2+][C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000011874135 570710710 /nfs/dbraw/zinc/71/07/10/570710710.db2.gz PAFGPVQVVACNBI-IBGZPJMESA-N 1 0 356.429 4.452 50 0 FIAARO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4ccccn4)C3)ccc2c1 ZINC000011933201 570711718 /nfs/dbraw/zinc/71/17/18/570711718.db2.gz ABNMRAPJUZZUAX-HXUWFJFHSA-N 1 0 360.457 4.338 50 0 FIAARO Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012112100 570718647 /nfs/dbraw/zinc/71/86/47/570718647.db2.gz TZQLPFJQPROAKO-NRFANRHFSA-N 1 0 372.509 4.324 50 0 FIAARO c1coc(-c2cccc(C[N@H+]3CCc4nnc(-c5ccccc5)n4CC3)c2)c1 ZINC000012133463 570720685 /nfs/dbraw/zinc/72/06/85/570720685.db2.gz BAPZYSVALOPVDF-UHFFFAOYSA-N 1 0 370.456 4.263 50 0 FIAARO Cc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccc(Cl)cc2)c1 ZINC000012185481 570724711 /nfs/dbraw/zinc/72/47/11/570724711.db2.gz ULBWGLGNZQRVGN-NRFANRHFSA-N 1 0 370.924 4.362 50 0 FIAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)/C=C/c2cccs2)C1 ZINC000012208554 570728172 /nfs/dbraw/zinc/72/81/72/570728172.db2.gz YKJQUZYKIIOUOI-SGWGQVFISA-N 1 0 368.546 4.174 50 0 FIAARO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000012304081 570734216 /nfs/dbraw/zinc/73/42/16/570734216.db2.gz NMYURCAKHKMUMY-FQEVSTJZSA-N 1 0 351.450 4.077 50 0 FIAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012306423 570734746 /nfs/dbraw/zinc/73/47/46/570734746.db2.gz JEMYZIANYKODRK-QGZVFWFLSA-N 1 0 365.477 4.467 50 0 FIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012307415 570735418 /nfs/dbraw/zinc/73/54/18/570735418.db2.gz ZASIDJSWGGGYRP-FQEVSTJZSA-N 1 0 356.469 4.428 50 0 FIAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012373653 570740103 /nfs/dbraw/zinc/74/01/03/570740103.db2.gz NQVQXLBXBPFMCB-QFIPXVFZSA-N 1 0 354.538 4.494 50 0 FIAARO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCCO)c(C)o2)cc1 ZINC000012438685 570745559 /nfs/dbraw/zinc/74/55/59/570745559.db2.gz XEFLQLZIIYBDPW-SFHVURJKSA-N 1 0 358.482 4.176 50 0 FIAARO c1ccc(-c2nc3c(c(N4CC[NH+](C[C@H]5CC=CCC5)CC4)n2)CCC3)cc1 ZINC000012478674 570748693 /nfs/dbraw/zinc/74/86/93/570748693.db2.gz OCUMLUOLNXEUTF-IBGZPJMESA-N 1 0 374.532 4.111 50 0 FIAARO Cc1ccccc1-c1cccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000012591265 570752352 /nfs/dbraw/zinc/75/23/52/570752352.db2.gz VXVSDUVMKDUXEA-OAQYLSRUSA-N 1 0 358.489 4.211 50 0 FIAARO COc1cccc(Cn2cccc2C[N@H+](C[C@@H](C)O)CC2CCCCC2)c1 ZINC000004354147 570753926 /nfs/dbraw/zinc/75/39/26/570753926.db2.gz PUWABSXDKRLHJW-LJQANCHMSA-N 1 0 370.537 4.308 50 0 FIAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Br)c2)cc1OC ZINC000012383603 570813435 /nfs/dbraw/zinc/81/34/35/570813435.db2.gz DSETXUZNKGFVOK-ZDUSSCGKSA-N 1 0 364.283 4.187 50 0 FIAARO CCc1ccc2c(CC(=O)NCCC[N@H+](C)Cc3ccccc3)coc2c1 ZINC000032841721 570820042 /nfs/dbraw/zinc/82/00/42/570820042.db2.gz YAJODJPKNCUUFY-UHFFFAOYSA-N 1 0 364.489 4.176 50 0 FIAARO O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704796 570824205 /nfs/dbraw/zinc/82/42/05/570824205.db2.gz BMBUWTVEMVCOAM-INIZCTEOSA-N 1 0 367.276 4.082 50 0 FIAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1cc(Cl)ccc1F ZINC000014947780 570826272 /nfs/dbraw/zinc/82/62/72/570826272.db2.gz RMSWSWUSQZVBNL-OAHLLOKOSA-N 1 0 352.881 4.396 50 0 FIAARO O=C(NCCCCc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000032870558 570826382 /nfs/dbraw/zinc/82/63/82/570826382.db2.gz BAIQHPDCKOAHAA-UHFFFAOYSA-N 1 0 365.521 4.105 50 0 FIAARO CCOC(=O)N1CCC([N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000108157376 570903663 /nfs/dbraw/zinc/90/36/63/570903663.db2.gz WSVFEFZCVUBJEG-GJZGRUSLSA-N 1 0 352.906 4.385 50 0 FIAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 ZINC000108172350 570904063 /nfs/dbraw/zinc/90/40/63/570904063.db2.gz WJYFAQYBMUXADQ-KCPJHIHWSA-N 1 0 366.552 4.181 50 0 FIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Cl)cc1OC ZINC000046037852 570922030 /nfs/dbraw/zinc/92/20/30/570922030.db2.gz DVNWMZUTUPZTAB-MSOLQXFVSA-N 1 0 361.869 4.228 50 0 FIAARO CCOC(=O)c1ccc(N2C[C@@H]3CCCC[N@@H+]3[C@H]2c2ccccc2)cc1 ZINC000001032994 570924383 /nfs/dbraw/zinc/92/43/83/570924383.db2.gz IUKCBZVVAUOCOM-LEWJYISDSA-N 1 0 350.462 4.237 50 0 FIAARO COc1ccc2cc(C[NH2+][C@@H](CN3CCCC3=O)c3ccccc3)ccc2c1 ZINC000047794691 570931448 /nfs/dbraw/zinc/93/14/48/570931448.db2.gz BGVQBTJMCDNJNQ-QHCPKHFHSA-N 1 0 374.484 4.302 50 0 FIAARO C1CC1c1nc2sc3c(c2c(N2CC[C@H]([NH+]4CCCC4)C2)n1)CCCC3 ZINC000072089509 570936778 /nfs/dbraw/zinc/93/67/78/570936778.db2.gz VYAZWWDZZSIXSI-HNNXBMFYSA-N 1 0 368.550 4.122 50 0 FIAARO c1nc2ccccc2n1CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022923944 570953214 /nfs/dbraw/zinc/95/32/14/570953214.db2.gz JEWJDZIPAVNQDZ-UHFFFAOYSA-N 1 0 362.502 4.026 50 0 FIAARO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1cccc(Cl)c1)c1cccs1 ZINC000023128789 570956964 /nfs/dbraw/zinc/95/69/64/570956964.db2.gz MMRZBAJCJJOIAT-MRXNPFEDSA-N 1 0 361.898 4.279 50 0 FIAARO CC(C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000023153299 570957788 /nfs/dbraw/zinc/95/77/88/570957788.db2.gz LCFWRURGTHQKIZ-UHFFFAOYSA-N 1 0 358.489 4.031 50 0 FIAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)cc(=O)[nH]1 ZINC000023399789 570963244 /nfs/dbraw/zinc/96/32/44/570963244.db2.gz NTMWRBDDMQHPGJ-LJQANCHMSA-N 1 0 371.484 4.029 50 0 FIAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](C3CCC3)CC2)c1 ZINC000023542646 570965012 /nfs/dbraw/zinc/96/50/12/570965012.db2.gz LACDXJFTCQAJLH-UHFFFAOYSA-N 1 0 364.489 4.012 50 0 FIAARO Cc1nn(C)c(C)c1C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000023994842 570969919 /nfs/dbraw/zinc/96/99/19/570969919.db2.gz GSXWWNRYXMTUKX-NRFANRHFSA-N 1 0 358.489 4.440 50 0 FIAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000025330040 570993896 /nfs/dbraw/zinc/99/38/96/570993896.db2.gz DQKSKQFLCPFATM-HNNXBMFYSA-N 1 0 357.306 4.017 50 0 FIAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581629 571014452 /nfs/dbraw/zinc/01/44/52/571014452.db2.gz WPUHVIGBUQQYAQ-QFIPXVFZSA-N 1 0 366.505 4.026 50 0 FIAARO CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584180 571015127 /nfs/dbraw/zinc/01/51/27/571015127.db2.gz AZLSZBSWNZWMNB-KRWDZBQOSA-N 1 0 358.507 4.104 50 0 FIAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027744240 571019943 /nfs/dbraw/zinc/01/99/43/571019943.db2.gz AOXPIRXPUNQORD-JOCHJYFZSA-N 1 0 366.505 4.107 50 0 FIAARO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1)c1cccc(OC)c1 ZINC000029328237 571038836 /nfs/dbraw/zinc/03/88/36/571038836.db2.gz YITHKZWXNMYMBI-UWJYYQICSA-N 1 0 369.509 4.139 50 0 FIAARO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000008328525 571040899 /nfs/dbraw/zinc/04/08/99/571040899.db2.gz GBHNLGZJDNHEAB-KBXCAEBGSA-N 1 0 356.491 4.239 50 0 FIAARO C[C@H]1Oc2c(cccc2C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H]1C ZINC000008389191 571043104 /nfs/dbraw/zinc/04/31/04/571043104.db2.gz RPJZVWPRBTXCKE-DLBZAZTESA-N 1 0 364.489 4.097 50 0 FIAARO C[N@H+](CCOc1ccc(O)cc1)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000072289474 571044014 /nfs/dbraw/zinc/04/40/14/571044014.db2.gz CEAZTWRNJZOSAE-UHFFFAOYSA-N 1 0 358.825 4.211 50 0 FIAARO COc1ccc([C@H](CNC(=O)CCc2ccsc2)[NH+]2CCCCC2)cc1 ZINC000008428378 571046850 /nfs/dbraw/zinc/04/68/50/571046850.db2.gz YOSWODSXQFMVPB-FQEVSTJZSA-N 1 0 372.534 4.033 50 0 FIAARO COc1cc(SC)ccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000008708464 571056298 /nfs/dbraw/zinc/05/62/98/571056298.db2.gz WLIQPRMIRJNGMU-UHFFFAOYSA-N 1 0 356.491 4.265 50 0 FIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(C(=O)OCCC)cc2c1=O ZINC000008717190 571057120 /nfs/dbraw/zinc/05/71/20/571057120.db2.gz KIKZCJQKRGLBMQ-UHFFFAOYSA-N 1 0 358.482 4.438 50 0 FIAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1=Cc2ccccc2OC=C1 ZINC000670474369 571059304 /nfs/dbraw/zinc/05/93/04/571059304.db2.gz PSNFKVZMBNOISH-UHFFFAOYSA-N 1 0 374.484 4.005 50 0 FIAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000033018790 571061458 /nfs/dbraw/zinc/06/14/58/571061458.db2.gz FQGHVQNEBVDYER-UHFFFAOYSA-N 1 0 365.473 4.367 50 0 FIAARO COc1ccc([C@H](CNC(=O)c2cc(Cl)sc2Cl)[NH+](C)C)cc1 ZINC000008777356 571061613 /nfs/dbraw/zinc/06/16/13/571061613.db2.gz KZMWPYLFOJTJLI-ZDUSSCGKSA-N 1 0 373.305 4.096 50 0 FIAARO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008862968 571063797 /nfs/dbraw/zinc/06/37/97/571063797.db2.gz VGMNFWUTOCGKIC-LJQANCHMSA-N 1 0 358.507 4.104 50 0 FIAARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455744 571071508 /nfs/dbraw/zinc/07/15/08/571071508.db2.gz AHXJGCRQMRGWMD-MUPIXQSSSA-N 1 0 350.506 4.044 50 0 FIAARO O[C@@H](C[NH2+]Cc1ccco1)CN1c2ccccc2Sc2ccccc21 ZINC000004139810 571072464 /nfs/dbraw/zinc/07/24/64/571072464.db2.gz ZCLJBMYIKYDEFB-HNNXBMFYSA-N 1 0 352.459 4.033 50 0 FIAARO CCCC[C@@H](CC)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103827 571076582 /nfs/dbraw/zinc/07/65/82/571076582.db2.gz DHDIGCPZMDOGKV-GOSISDBHSA-N 1 0 360.546 4.085 50 0 FIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1 ZINC000040121675 571080908 /nfs/dbraw/zinc/08/09/08/571080908.db2.gz HRQLZOXQFWGHDF-MRXNPFEDSA-N 1 0 365.474 4.100 50 0 FIAARO C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000040156913 571087793 /nfs/dbraw/zinc/08/77/93/571087793.db2.gz JXBUCFCIJHPQAD-LJQANCHMSA-N 1 0 350.506 4.036 50 0 FIAARO O=C(c1cccc(Cl)c1Cl)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000084539304 571088252 /nfs/dbraw/zinc/08/82/52/571088252.db2.gz WDTLKLSGRLBWPC-HNNXBMFYSA-N 1 0 363.288 4.388 50 0 FIAARO CC1CC[NH+](C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 ZINC000012421972 571097748 /nfs/dbraw/zinc/09/77/48/571097748.db2.gz MEVCGRIXYSZRDS-MRXNPFEDSA-N 1 0 360.929 4.266 50 0 FIAARO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1cccc2ccccc21 ZINC000242389466 571111156 /nfs/dbraw/zinc/11/11/56/571111156.db2.gz ZXLZDQZQHGJFCD-CEMLEFRQSA-N 1 0 366.505 4.184 50 0 FIAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000244605537 571113982 /nfs/dbraw/zinc/11/39/82/571113982.db2.gz FAJWRGMNBMHLOX-IBGZPJMESA-N 1 0 360.885 4.033 50 0 FIAARO C[C@H](Sc1ccccc1F)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042095797 571119448 /nfs/dbraw/zinc/11/94/48/571119448.db2.gz XBRPSIATCXYLQG-INIZCTEOSA-N 1 0 372.509 4.087 50 0 FIAARO CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000010328083 571125207 /nfs/dbraw/zinc/12/52/07/571125207.db2.gz UWNQPVIODPTADZ-HXUWFJFHSA-N 1 0 362.473 4.271 50 0 FIAARO COc1cccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010330596 571125259 /nfs/dbraw/zinc/12/52/59/571125259.db2.gz XTEUUYIKZDRCJG-HSZRJFAPSA-N 1 0 374.484 4.415 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc(Br)c1O ZINC000226156704 571126455 /nfs/dbraw/zinc/12/64/55/571126455.db2.gz GHCGQOCTIDGCLX-UKRRQHHQSA-N 1 0 354.288 4.318 50 0 FIAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3cc(-c4ccccn4)no3)c2)n1 ZINC000252504021 571133537 /nfs/dbraw/zinc/13/35/37/571133537.db2.gz VHVUIGXMDMWWKB-UHFFFAOYSA-N 1 0 373.460 4.171 50 0 FIAARO Cc1[nH]c2ccc(NC=C3C(C)=NN(c4ccc(C)cc4C)C3=O)cc2[nH+]1 ZINC000005445977 571139580 /nfs/dbraw/zinc/13/95/80/571139580.db2.gz LCPPOJRYYICCIE-GZTJUZNOSA-N 1 0 359.433 4.207 50 0 FIAARO OC1CC[NH+](Cc2ccccc2NCc2cc3cc(F)ccc3o2)CC1 ZINC000075092329 571154192 /nfs/dbraw/zinc/15/41/92/571154192.db2.gz RRFXFXALUKRFSU-UHFFFAOYSA-N 1 0 354.425 4.141 50 0 FIAARO Cc1cc(NC(=O)N(CC[NH+](C)C)C2CCCC2)ccc1Br ZINC000075107824 571155546 /nfs/dbraw/zinc/15/55/46/571155546.db2.gz SDBCJAANQLJFHP-UHFFFAOYSA-N 1 0 368.319 4.096 50 0 FIAARO CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 ZINC000005835934 571166763 /nfs/dbraw/zinc/16/67/63/571166763.db2.gz SDPSRWQRMDXBED-HXUWFJFHSA-N 1 0 366.513 4.189 50 0 FIAARO CC[C@@](C)([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 ZINC000005961127 571169552 /nfs/dbraw/zinc/16/95/52/571169552.db2.gz MVGBZVBZQSAEHQ-OAQYLSRUSA-N 1 0 366.513 4.117 50 0 FIAARO c1ccc(-c2cccc(C[NH+]3CCC(OCc4cccnc4)CC3)c2)nc1 ZINC000072144161 571172399 /nfs/dbraw/zinc/17/23/99/571172399.db2.gz DJGCHEKWBIWOKL-UHFFFAOYSA-N 1 0 359.473 4.325 50 0 FIAARO c1c2ccccc2oc1C[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000072145914 571173450 /nfs/dbraw/zinc/17/34/50/571173450.db2.gz UAAKDMCVUWLXOS-UHFFFAOYSA-N 1 0 350.466 4.130 50 0 FIAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)cc(=O)[nH]1 ZINC000072150948 571174413 /nfs/dbraw/zinc/17/44/13/571174413.db2.gz XFTPWBDUPNIKGC-QGZVFWFLSA-N 1 0 365.502 4.186 50 0 FIAARO Fc1cccc(CN2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)c1 ZINC000072173850 571177680 /nfs/dbraw/zinc/17/76/80/571177680.db2.gz MCIDZDSTAGUCSF-UHFFFAOYSA-N 1 0 361.464 4.206 50 0 FIAARO CN(C)c1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000044081722 571181892 /nfs/dbraw/zinc/18/18/92/571181892.db2.gz HNFXWVTUFOWFIM-UHFFFAOYSA-N 1 0 366.509 4.060 50 0 FIAARO O=C1CCC(=O)N1C1CCC([NH2+][C@H]2CCCC[C@@H]2C2=CCCCC2)CC1 ZINC000090854798 571189890 /nfs/dbraw/zinc/18/98/90/571189890.db2.gz WUBLBBMREYEIKM-TUNPWDSISA-N 1 0 358.526 4.095 50 0 FIAARO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1F ZINC000028915391 571192165 /nfs/dbraw/zinc/19/21/65/571192165.db2.gz OHLSPYONVBTZHM-KDOFPFPSSA-N 1 0 356.466 4.348 50 0 FIAARO C[NH+](C)[C@H]1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000072425249 571194210 /nfs/dbraw/zinc/19/42/10/571194210.db2.gz FUGXHSRTBMFZRR-INIZCTEOSA-N 1 0 367.880 4.264 50 0 FIAARO c1nc(CC2CCCC2)[nH]c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072431756 571195865 /nfs/dbraw/zinc/19/58/65/571195865.db2.gz AISRPERKXOSACR-QGZVFWFLSA-N 1 0 363.509 4.398 50 0 FIAARO Cc1ccc(-n2cc(CN3CCC[N@@H+](C)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000072474544 571198902 /nfs/dbraw/zinc/19/89/02/571198902.db2.gz PAGFQJJEUANDEZ-UHFFFAOYSA-N 1 0 374.532 4.294 50 0 FIAARO CCCc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)no1 ZINC000299796674 571202279 /nfs/dbraw/zinc/20/22/79/571202279.db2.gz PYFMOVPPNPQLIT-UHOSZYNNSA-N 1 0 364.449 4.370 50 0 FIAARO CCOc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2cc(CC)no2)cc1 ZINC000075448541 571203299 /nfs/dbraw/zinc/20/32/99/571203299.db2.gz ASRMTODRMGXFFH-LJQANCHMSA-N 1 0 366.465 4.363 50 0 FIAARO O=C(c1cccc(-c2ccco2)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077287436 571206270 /nfs/dbraw/zinc/20/62/70/571206270.db2.gz LCVSJNXAKJLIRZ-UHFFFAOYSA-N 1 0 366.486 4.356 50 0 FIAARO CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=[NH2+])oc2c1 ZINC000006517586 571206649 /nfs/dbraw/zinc/20/66/49/571206649.db2.gz UWZUQVOWGKLWLO-HNNXBMFYSA-N 1 0 363.461 4.249 50 0 FIAARO Cc1cc(Cl)c(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)cc1F ZINC000534655943 571207663 /nfs/dbraw/zinc/20/76/63/571207663.db2.gz PELSSNKISBLLIN-KRWDZBQOSA-N 1 0 372.871 4.375 50 0 FIAARO CCCCN1C[C@@]2(CCC[N@H+](Cc3sc(C)nc3CC)C2)CCC1=O ZINC000077379888 571209701 /nfs/dbraw/zinc/20/97/01/571209701.db2.gz OEMVTSVCILZOTO-FQEVSTJZSA-N 1 0 363.571 4.019 50 0 FIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407855 571210485 /nfs/dbraw/zinc/21/04/85/571210485.db2.gz ZOTBVPUHSZHSFG-FQEVSTJZSA-N 1 0 367.472 4.166 50 0 FIAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CN1C1CC1 ZINC000077423706 571211037 /nfs/dbraw/zinc/21/10/37/571211037.db2.gz NIFVQJKLJJRSNA-IBGZPJMESA-N 1 0 366.427 4.072 50 0 FIAARO CC(=O)c1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077469933 571212572 /nfs/dbraw/zinc/21/25/72/571212572.db2.gz RZCLDVRGMZHGHO-IBGZPJMESA-N 1 0 370.518 4.380 50 0 FIAARO COc1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3CCn3ccnc3C)c(C)c2c1 ZINC000077519245 571214370 /nfs/dbraw/zinc/21/43/70/571214370.db2.gz OKBZWKYFONPDTC-SFHVURJKSA-N 1 0 366.509 4.435 50 0 FIAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1c(F)cccc1Cl ZINC000023128061 571217520 /nfs/dbraw/zinc/21/75/20/571217520.db2.gz SSZNDYMGLVJKHH-UHFFFAOYSA-N 1 0 366.889 4.183 50 0 FIAARO CC[C@@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC[NH2+]1 ZINC000426406176 571221096 /nfs/dbraw/zinc/22/10/96/571221096.db2.gz OPZOOMVJTFFKPV-GOSISDBHSA-N 1 0 362.395 4.196 50 0 FIAARO Cc1ccsc1CNC(=O)N1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000426445576 571226427 /nfs/dbraw/zinc/22/64/27/571226427.db2.gz MUKRSOKUOZWGSN-SFHVURJKSA-N 1 0 357.523 4.165 50 0 FIAARO CCC[C@@H]1CN(c2ccnc3c2cccc3C(F)(F)F)C[C@H]1[NH+](C)C ZINC000082087010 571227629 /nfs/dbraw/zinc/22/76/29/571227629.db2.gz LOGCRCHRQHNYGS-CXAGYDPISA-N 1 0 351.416 4.420 50 0 FIAARO Cc1c(Cl)cccc1-c1ccc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)cc1 ZINC000426613705 571233301 /nfs/dbraw/zinc/23/33/01/571233301.db2.gz ZHIJEBGNQHDWKL-OWZKRDHZSA-N 1 0 368.908 4.195 50 0 FIAARO COc1ccc([C@@H](CNC(=O)c2sccc2C)[NH+]2CCCCC2)cc1 ZINC000006640053 571238300 /nfs/dbraw/zinc/23/83/00/571238300.db2.gz JSGKIAHSSUYVIK-GOSISDBHSA-N 1 0 358.507 4.022 50 0 FIAARO CC(C)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)on1 ZINC000091574631 571240716 /nfs/dbraw/zinc/24/07/16/571240716.db2.gz WELIXTRJIWHMEX-LJQANCHMSA-N 1 0 355.482 4.145 50 0 FIAARO CNc1cc(C)[nH+]c(N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)n1 ZINC000091603139 571241028 /nfs/dbraw/zinc/24/10/28/571241028.db2.gz DAENYNYBZRXLCI-HNNXBMFYSA-N 1 0 354.502 4.040 50 0 FIAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)c1OC ZINC000036097290 571241058 /nfs/dbraw/zinc/24/10/58/571241058.db2.gz QQHYDPMQAHIWPR-OAQYLSRUSA-N 1 0 371.521 4.156 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(OC)cc1 ZINC000036098935 571241308 /nfs/dbraw/zinc/24/13/08/571241308.db2.gz FNQQZCMZUHDVRR-CTNGQTDRSA-N 1 0 371.521 4.352 50 0 FIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036098919 571241343 /nfs/dbraw/zinc/24/13/43/571241343.db2.gz GSVFDHHQPLTUFJ-OFNKIYASSA-N 1 0 355.522 4.482 50 0 FIAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036099227 571241358 /nfs/dbraw/zinc/24/13/58/571241358.db2.gz TYKINCUGOYEAEL-KRWDZBQOSA-N 1 0 353.915 4.299 50 0 FIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccco2)s1 ZINC000036101140 571241495 /nfs/dbraw/zinc/24/14/95/571241495.db2.gz LMMPQVBJYYPHQH-IBGZPJMESA-N 1 0 371.502 4.229 50 0 FIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000036100040 571241629 /nfs/dbraw/zinc/24/16/29/571241629.db2.gz SANORVMSNZTMIF-HSZRJFAPSA-N 1 0 355.522 4.421 50 0 FIAARO O[C@H](COc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103310 571242176 /nfs/dbraw/zinc/24/21/76/571242176.db2.gz OQMWDBSEOXNEFI-IBGZPJMESA-N 1 0 353.487 4.190 50 0 FIAARO CC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145893 571243424 /nfs/dbraw/zinc/24/34/24/571243424.db2.gz ZCCVGEGPKZRHNQ-UXHICEINSA-N 1 0 372.896 4.106 50 0 FIAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccccc1 ZINC000036341582 571248454 /nfs/dbraw/zinc/24/84/54/571248454.db2.gz RXQKBAKNSXDWJJ-JOCHJYFZSA-N 1 0 363.505 4.323 50 0 FIAARO CCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000065285354 571260025 /nfs/dbraw/zinc/26/00/25/571260025.db2.gz SVEDBLHAIVEWEA-SFHVURJKSA-N 1 0 364.493 4.228 50 0 FIAARO Cc1oc2c(c1C(=O)NC1CCCCC1)CN(Cc1cccc(F)c1)CC2 ZINC000065291996 571260617 /nfs/dbraw/zinc/26/06/17/571260617.db2.gz LXFOMTDMGAAVAO-UHFFFAOYSA-N 1 0 370.468 4.348 50 0 FIAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000036710016 571261977 /nfs/dbraw/zinc/26/19/77/571261977.db2.gz VXKXPUJXHLYGTC-NRFANRHFSA-N 1 0 366.480 4.028 50 0 FIAARO CN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 ZINC000037212964 571265937 /nfs/dbraw/zinc/26/59/37/571265937.db2.gz PIIFSMMXKWSOTG-FQEVSTJZSA-N 1 0 368.527 4.420 50 0 FIAARO CC1CC[NH+]([C@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CC1 ZINC000010216976 571270242 /nfs/dbraw/zinc/27/02/42/571270242.db2.gz IPJKGMSJBOUDHU-QGZVFWFLSA-N 1 0 361.486 4.482 50 0 FIAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089927468 571274085 /nfs/dbraw/zinc/27/40/85/571274085.db2.gz YZTZSPKENDEKTI-IAGOWNOFSA-N 1 0 351.494 4.047 50 0 FIAARO CCCOc1ccc([C@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cc1OC ZINC000002126751 571278797 /nfs/dbraw/zinc/27/87/97/571278797.db2.gz BSCXKXYPXYVBLR-OAQYLSRUSA-N 1 0 366.461 4.209 50 0 biogenic FIAARO O=C(Nc1ccccc1)NC1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000252527565 571282547 /nfs/dbraw/zinc/28/25/47/571282547.db2.gz CWOXDMSJQXDQCF-HXUWFJFHSA-N 1 0 371.525 4.154 50 0 FIAARO [NH3+][C@H](CC(=O)Nc1ccccc1OCCc1ccccc1)c1ccccc1 ZINC000170682379 571285215 /nfs/dbraw/zinc/28/52/15/571285215.db2.gz AZKBJMLTGFMFJJ-HXUWFJFHSA-N 1 0 360.457 4.337 50 0 FIAARO CCN(CC(=O)NCc1cccs1)Cc1ccc(Cl)cc1Cl ZINC000007682088 571285767 /nfs/dbraw/zinc/28/57/67/571285767.db2.gz NHZXNZMLCCRLTG-UHFFFAOYSA-N 1 0 357.306 4.193 50 0 FIAARO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037560510 571288040 /nfs/dbraw/zinc/28/80/40/571288040.db2.gz KSSWGDUPWCUVNH-UHFFFAOYSA-N 1 0 370.468 4.242 50 0 FIAARO Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1F ZINC000007922491 571294324 /nfs/dbraw/zinc/29/43/24/571294324.db2.gz DLMOOMPKGSSFIW-ZDUSSCGKSA-N 1 0 357.454 4.375 50 0 FIAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 ZINC000002271776 571294362 /nfs/dbraw/zinc/29/43/62/571294362.db2.gz ZNWMRRHCABXOEN-UHFFFAOYSA-N 1 0 369.538 4.180 50 0 FIAARO CC(=O)[C@@H]1Sc2ccccc2N(CCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000005314006 571308022 /nfs/dbraw/zinc/30/80/22/571308022.db2.gz KJKUTCSZMKBGKI-SFTDATJTSA-N 1 0 354.519 4.249 50 0 FIAARO CC[NH+](CC)CCOc1nnc(-c2ccc(OC)cc2)c2ccccc21 ZINC000002281108 571311523 /nfs/dbraw/zinc/31/15/23/571311523.db2.gz DMSMAMXEARRJSQ-UHFFFAOYSA-N 1 0 351.450 4.026 50 0 FIAARO C[C@@H](CCNC(=O)N(Cc1c(F)cccc1Cl)C1CC1)[NH+]1CCCC1 ZINC000584897494 571315587 /nfs/dbraw/zinc/31/55/87/571315587.db2.gz XDUIHXBPPWTRJD-AWEZNQCLSA-N 1 0 367.896 4.028 50 0 FIAARO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000584901127 571316197 /nfs/dbraw/zinc/31/61/97/571316197.db2.gz NCQJDBNKWKEADN-OAHLLOKOSA-N 1 0 365.468 4.076 50 0 FIAARO O=C(Cc1ccc2ccccc2c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000078722624 571324465 /nfs/dbraw/zinc/32/44/65/571324465.db2.gz YLKUHJGXILIFAN-UHFFFAOYSA-N 1 0 372.512 4.206 50 0 FIAARO Cc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)c2cc(Cl)cc(C)c2[nH+]1 ZINC000328770262 571326318 /nfs/dbraw/zinc/32/63/18/571326318.db2.gz CLTKQCLEESEGJH-YJBOKZPZSA-N 1 0 356.857 4.181 50 0 FIAARO COCCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1OC ZINC000095453817 571329917 /nfs/dbraw/zinc/32/99/17/571329917.db2.gz NOCIBAJKDNGCEX-FQEVSTJZSA-N 1 0 370.493 4.233 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc(F)cc1 ZINC000096003585 571333813 /nfs/dbraw/zinc/33/38/13/571333813.db2.gz RVPDFAUNTVWFSN-APWZRJJASA-N 1 0 373.468 4.006 50 0 FIAARO COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc(F)cc1 ZINC000096003584 571333822 /nfs/dbraw/zinc/33/38/22/571333822.db2.gz RVPDFAUNTVWFSN-LPHOPBHVSA-N 1 0 373.468 4.006 50 0 FIAARO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000225687147 571337815 /nfs/dbraw/zinc/33/78/15/571337815.db2.gz RQIYVQGBXQZVGW-JOCHJYFZSA-N 1 0 362.517 4.257 50 0 FIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(Cl)c1 ZINC000003184617 571345332 /nfs/dbraw/zinc/34/53/32/571345332.db2.gz YOMCMCXNHFXHSG-HKUYNNGSSA-N 1 0 355.869 4.488 50 0 biogenic FIAARO C[C@@H](NC(=S)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211456 571345551 /nfs/dbraw/zinc/34/55/51/571345551.db2.gz LDSSHFVKURPSKD-RHSMWYFYSA-N 1 0 351.585 4.070 50 0 FIAARO Cc1ccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(C)c1 ZINC000003357830 571348273 /nfs/dbraw/zinc/34/82/73/571348273.db2.gz QSAOESZUZPSIHM-SFHVURJKSA-N 1 0 357.523 4.410 50 0 FIAARO Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCc4c[nH]nc4C2)CCC3)cc1 ZINC000484516014 571351825 /nfs/dbraw/zinc/35/18/25/571351825.db2.gz YYNWACLCMZBIJC-IAGOWNOFSA-N 1 0 364.518 4.366 50 0 FIAARO CC[NH+](CC)CCCNC(=O)C[C@@H](CCC(C)C)[C@H]1CCOC(C)(C)C1 ZINC000004086211 571355003 /nfs/dbraw/zinc/35/50/03/571355003.db2.gz OVLXPNIOIDLIFE-UXHICEINSA-N 1 0 368.606 4.482 50 0 biogenic FIAARO O=C(c1ccccc1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004302764 571357768 /nfs/dbraw/zinc/35/77/68/571357768.db2.gz VOLKWLCESSWDLU-UHFFFAOYSA-N 1 0 358.913 4.067 50 0 FIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cncc(Cl)c1 ZINC000670465984 571358619 /nfs/dbraw/zinc/35/86/19/571358619.db2.gz LXTLFCYIKFZEQB-LJQANCHMSA-N 1 0 357.885 4.082 50 0 FIAARO