smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCC[NH+]1CCC(NC(=O)C2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000952990014 762540820 /nfs/dbraw/zinc/54/08/20/762540820.db2.gz FAQXIEJJLPIEOC-UHFFFAOYSA-N 2 0 367.603 3.119 50 0 FGAARP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1cccc(C)c1 ZINC000040720784 205076791 /nfs/dbraw/zinc/07/67/91/205076791.db2.gz KXIAINDYVOJCEL-UHFFFAOYSA-N 2 0 372.509 3.034 50 0 FGAARP Cc1ccc(CN(CC[NH+](C)C)c2nc(CC[NH3+])nc3ccccc32)cc1 ZINC000065422136 205350588 /nfs/dbraw/zinc/35/05/88/205350588.db2.gz INBSSJFRQQOTDG-UHFFFAOYSA-N 2 0 363.509 3.008 50 0 FGAARP COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000067756608 205389592 /nfs/dbraw/zinc/38/95/92/205389592.db2.gz NGANAGHYULAFKD-GOSISDBHSA-N 2 0 354.450 3.346 50 0 FGAARP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000106455107 206014803 /nfs/dbraw/zinc/01/48/03/206014803.db2.gz QUHSHZDWFTYFQF-QFIPXVFZSA-N 2 0 365.521 3.072 50 0 FGAARP CN1CCC[N@H+](Cc2ccc([C@H]3CCCCO3)o2)CC12CC[NH+](C)CC2 ZINC000216452987 206359028 /nfs/dbraw/zinc/35/90/28/206359028.db2.gz DLQXQQDCCOADKY-LJQANCHMSA-N 2 0 361.530 3.123 50 0 FGAARP COc1cc(F)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000072140320 494132334 /nfs/dbraw/zinc/13/23/34/494132334.db2.gz VOMNRENMPJRYPA-UHFFFAOYSA-N 2 0 350.478 3.397 50 0 FGAARP Cc1cc(C[NH+]2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)[nH]n1 ZINC000011664083 494184884 /nfs/dbraw/zinc/18/48/84/494184884.db2.gz SIBLJMHFCNXVDK-NRFANRHFSA-N 2 0 352.526 3.495 50 0 FGAARP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000230237289 497103936 /nfs/dbraw/zinc/10/39/36/497103936.db2.gz BZJOJWPXUHIIQF-YPAWHYETSA-N 2 0 369.553 3.183 50 0 FGAARP Cc1ccc2[nH]c(CCCNc3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)nc2c1C ZINC000244893016 497373597 /nfs/dbraw/zinc/37/35/97/497373597.db2.gz YTUUDPMNVYOXPB-GASCZTMLSA-N 2 0 350.470 3.219 50 0 FGAARP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000096007906 205803503 /nfs/dbraw/zinc/80/35/03/205803503.db2.gz HZFWJNVTLYUCPU-LJQANCHMSA-N 2 0 368.587 3.460 50 0 FGAARP CC(C)[NH+]1CCC(N2CC[N@H+](CCCC3CCCC3)C[C@H]2CCO)CC1 ZINC000104363605 206237790 /nfs/dbraw/zinc/23/77/90/206237790.db2.gz GXHMUJGRDYYDEE-JOCHJYFZSA-N 2 0 365.606 3.198 50 0 FGAARP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)CC1 ZINC000215553528 206348761 /nfs/dbraw/zinc/34/87/61/206348761.db2.gz SXPYTFWRGPCPHF-SFHVURJKSA-N 2 0 353.913 3.471 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)CCc2ccncc2)cc1CN1CC[NH+](C)CC1 ZINC000215929349 206351154 /nfs/dbraw/zinc/35/11/54/206351154.db2.gz JYRGMVYKUMTRSL-UHFFFAOYSA-N 2 0 366.553 3.120 50 0 FGAARP CC[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000095369904 494966683 /nfs/dbraw/zinc/96/66/83/494966683.db2.gz UMNPDRKAEDKFNS-FQEVSTJZSA-N 2 0 361.505 3.201 50 0 FGAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534648377 504202937 /nfs/dbraw/zinc/20/29/37/504202937.db2.gz ANAALHAAIUVSSW-GOSISDBHSA-N 2 0 360.461 3.260 50 0 FGAARP Cc1cc(C[NH+]2CCCC2)cc(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)c1 ZINC000584901792 507563972 /nfs/dbraw/zinc/56/39/72/507563972.db2.gz AIJHSRIJNREQFL-JOCHJYFZSA-N 2 0 363.505 3.431 50 0 FGAARP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039748184 205047616 /nfs/dbraw/zinc/04/76/16/205047616.db2.gz UWEVVMJQXYZQES-BGYRXZFFSA-N 2 0 371.569 3.383 50 0 FGAARP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000426596626 263641987 /nfs/dbraw/zinc/64/19/87/263641987.db2.gz PZZHEVHHUROULD-JOCHJYFZSA-N 2 0 363.505 3.431 50 0 FGAARP CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072428189 494171811 /nfs/dbraw/zinc/17/18/11/494171811.db2.gz OJWZFJUVNXXIRN-FQEVSTJZSA-N 2 0 353.514 3.331 50 0 FGAARP COc1ccc(CC[N@@H+](Cc2cccnc2)CC2CC[NH+](C)CC2)cc1 ZINC000012449269 494234271 /nfs/dbraw/zinc/23/42/71/494234271.db2.gz MIULNDJDOSHIKA-UHFFFAOYSA-N 2 0 353.510 3.477 50 0 FGAARP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000014542410 494320017 /nfs/dbraw/zinc/32/00/17/494320017.db2.gz GLBPAUPBZUYZGL-FGZHOGPDSA-N 2 0 369.553 3.233 50 0 FGAARP Cc1ccc([C@H]2CN(C(=O)C3([NH+]4CCCCC4)CCCCC3)C[C@@H]2[NH3+])o1 ZINC000091829174 494694079 /nfs/dbraw/zinc/69/40/79/494694079.db2.gz RHECITMJZFXFBZ-ROUUACIJSA-N 2 0 359.514 3.030 50 0 FGAARP Cc1cc(F)ccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420913 494703404 /nfs/dbraw/zinc/70/34/04/494703404.db2.gz HXCFRAHLIFKBFR-FQEVSTJZSA-N 2 0 369.484 3.121 50 0 FGAARP CCOC1CC(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000253417445 497333008 /nfs/dbraw/zinc/33/30/08/497333008.db2.gz OPSJPESEZYMXSB-KITAHSCOSA-N 2 0 360.542 3.179 50 0 FGAARP [NH3+][C@H]1C[C@H](c2cc(N3CCC[N@@H+](C4CCCCC4)CC3)nc(C3CC3)n2)C1 ZINC000244887885 497373349 /nfs/dbraw/zinc/37/33/49/497373349.db2.gz YQCGWCPCEPKCGE-IYARVYRRSA-N 2 0 369.557 3.404 50 0 FGAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccco1 ZINC000245237337 520832286 /nfs/dbraw/zinc/83/22/86/520832286.db2.gz JZYGICUQJYIOCJ-PMACEKPBSA-N 2 0 369.509 3.398 50 0 FGAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000072166911 695959959 /nfs/dbraw/zinc/95/99/59/695959959.db2.gz LTCOUDYVEYBROV-IBGZPJMESA-N 2 0 363.502 3.228 50 0 FGAARP Cc1ccccc1C[N@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000055107633 205206889 /nfs/dbraw/zinc/20/68/89/205206889.db2.gz QPOONBJKUCKPJV-QFIPXVFZSA-N 2 0 354.494 3.159 50 0 FGAARP COc1ccc(F)c(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(C)o2)c1 ZINC000067867577 205399867 /nfs/dbraw/zinc/39/98/67/205399867.db2.gz HLUIMQULLFHXAM-UHFFFAOYSA-N 2 0 359.445 3.373 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)CCC[C@H]2CCCO2)cc1CN1CC[NH+](C)CC1 ZINC000215892894 206351807 /nfs/dbraw/zinc/35/18/07/206351807.db2.gz LHQYRNCZDAVMFA-QHCPKHFHSA-N 2 0 373.585 3.442 50 0 FGAARP Cc1c[nH+]ccc1N1CC[NH+](C[C@]2(c3cccc(F)c3)CCOC2)CC1 ZINC000096834906 132225837 /nfs/dbraw/zinc/22/58/37/132225837.db2.gz KCKJVCCMVBVNNO-OAQYLSRUSA-N 2 0 355.457 3.009 50 0 FGAARP Cc1cc(N2CCC[N@H+](Cc3cnc(N4CCCC4)s3)CC2)cc[nH+]1 ZINC000072149990 494134349 /nfs/dbraw/zinc/13/43/49/494134349.db2.gz TVQPERNRFXSGCZ-UHFFFAOYSA-N 2 0 357.527 3.159 50 0 FGAARP Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c2ccccn12 ZINC000091587070 494620932 /nfs/dbraw/zinc/62/09/32/494620932.db2.gz ZFDXBJREQMCARI-VQTJNVASSA-N 2 0 361.493 3.134 50 0 FGAARP C[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)(c2ccccc2)CC1 ZINC000095386640 494972201 /nfs/dbraw/zinc/97/22/01/494972201.db2.gz AETOQZVZBXCDPC-HXUWFJFHSA-N 2 0 357.542 3.031 50 0 FGAARP COc1cc(C)c(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000097272522 495031201 /nfs/dbraw/zinc/03/12/01/495031201.db2.gz HETUFYVXVYXRKW-LJQANCHMSA-N 2 0 359.558 3.160 50 0 FGAARP Cc1cnccc1OC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000366188665 498813620 /nfs/dbraw/zinc/81/36/20/498813620.db2.gz WLVMAXRXBOVSLL-UHFFFAOYSA-N 2 0 353.466 3.135 50 0 FGAARP C[N@@H+]1CCC[C@H]1CCOc1cc(-c2cccnc2)cc2c1OCC[NH2+]C2 ZINC000299785414 523847497 /nfs/dbraw/zinc/84/74/97/523847497.db2.gz ZFVFJIUMXGZNDX-IBGZPJMESA-N 2 0 353.466 3.094 50 0 FGAARP CSc1ccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)cc1 ZINC000011815114 695602747 /nfs/dbraw/zinc/60/27/47/695602747.db2.gz VTBGOXDAUDISCO-UHFFFAOYSA-N 2 0 363.571 3.079 50 0 FGAARP Cc1c(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)cnn1CC[N@H+]1CC=CCC1 ZINC000065424560 205351058 /nfs/dbraw/zinc/35/10/58/205351058.db2.gz FDDQGGNQDXZUAG-UHFFFAOYSA-N 2 0 373.589 3.194 50 0 FGAARP Cc1c(C)n(CCC[NH+]2CCOCC2)c2[nH+]c3c(c(N)c12)CCCCC3 ZINC000012322802 494224103 /nfs/dbraw/zinc/22/41/03/494224103.db2.gz LTDVYAVMRVIJCY-UHFFFAOYSA-N 2 0 356.514 3.227 50 0 FGAARP O[C@@H](COc1ccc(C[NH+]2CCC(F)(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095498404 494980476 /nfs/dbraw/zinc/98/04/76/494980476.db2.gz BLWKSAVGVOZALE-GOSISDBHSA-N 2 0 368.468 3.143 50 0 FGAARP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000095939820 494990527 /nfs/dbraw/zinc/99/05/27/494990527.db2.gz OIIODFGGYXZRNI-IFMALSPDSA-N 2 0 369.553 3.231 50 0 FGAARP COc1cccc2c1CC[C@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000192445087 497116985 /nfs/dbraw/zinc/11/69/85/497116985.db2.gz WCNBLVOJGBCHEA-IBGZPJMESA-N 2 0 351.494 3.454 50 0 FGAARP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252549275 497311799 /nfs/dbraw/zinc/31/17/99/497311799.db2.gz RBGOAJACXDSWPR-FVJLSDCUSA-N 2 0 354.542 3.468 50 0 FGAARP CC[N@H+](Cc1ccccc1)C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000220691965 132275849 /nfs/dbraw/zinc/27/58/49/132275849.db2.gz BXEWQROSBMLMAL-UHFFFAOYSA-N 2 0 365.525 3.172 50 0 FGAARP O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077341755 494061314 /nfs/dbraw/zinc/06/13/14/494061314.db2.gz SCNYYUVZLFQXKB-HXUWFJFHSA-N 2 0 369.553 3.319 50 0 FGAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)[C@H]1O ZINC000072150222 494135986 /nfs/dbraw/zinc/13/59/86/494135986.db2.gz WAUDAGRYMMXCHL-MOPGFXCFSA-N 2 0 360.860 3.387 50 0 FGAARP C[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072437775 494174541 /nfs/dbraw/zinc/17/45/41/494174541.db2.gz JHIFUMOTEVNJRY-LJQANCHMSA-N 2 0 357.542 3.137 50 0 FGAARP COCCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH+](CC=C(C)C)CC2)[C@H]1O ZINC000019148246 494436512 /nfs/dbraw/zinc/43/65/12/494436512.db2.gz KZPZXUJXCGZULU-YADHBBJMSA-N 2 0 372.553 3.370 50 0 FGAARP Cc1nc2c(c(NC[C@H](c3ccccc3)[NH+]3CCCCC3)n1)CC[NH2+]C2 ZINC000067895556 494685667 /nfs/dbraw/zinc/68/56/67/494685667.db2.gz HKMFUNWJAVMWKT-HXUWFJFHSA-N 2 0 351.498 3.070 50 0 FGAARP Cc1cc(F)ccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420915 494702888 /nfs/dbraw/zinc/70/28/88/494702888.db2.gz HXCFRAHLIFKBFR-HXUWFJFHSA-N 2 0 369.484 3.121 50 0 FGAARP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000095993835 494994094 /nfs/dbraw/zinc/99/40/94/494994094.db2.gz CTUXOIVAZYWRGS-DYESRHJHSA-N 2 0 369.509 3.255 50 0 FGAARP CC(C)C[C@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)NC(=O)OC(C)(C)C ZINC000252571743 497311551 /nfs/dbraw/zinc/31/15/51/497311551.db2.gz YMPGWGWJJNLTRF-SJLPKXTDSA-N 2 0 363.502 3.474 50 0 FGAARP CCn1ccnc1CN(C)C(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000244887816 497373441 /nfs/dbraw/zinc/37/34/41/497373441.db2.gz YPCFZBVTWBEMFE-IBGZPJMESA-N 2 0 358.461 3.228 50 0 FGAARP C([C@@H]1CCCO1)[N@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000012314147 695605808 /nfs/dbraw/zinc/60/58/08/695605808.db2.gz CQDCCUNJSCDKKU-NRFANRHFSA-N 2 0 350.547 3.301 50 0 FGAARP C[N@@H+]1CCCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000952975124 762537709 /nfs/dbraw/zinc/53/77/09/762537709.db2.gz RUHVHKUUKWFNBI-LJQANCHMSA-N 2 0 363.933 3.295 50 0 FGAARP C[N@@H+]1CCCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000952975105 762537755 /nfs/dbraw/zinc/53/77/55/762537755.db2.gz RUHVHKUUKWFNBI-IBGZPJMESA-N 2 0 363.933 3.295 50 0 FGAARP Nc1nccc(C2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)n1 ZINC000215163884 222642049 /nfs/dbraw/zinc/64/20/49/222642049.db2.gz BPDVBNLJKZOBMN-UHFFFAOYSA-N 2 0 357.527 3.096 50 0 FGAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000299738415 205115738 /nfs/dbraw/zinc/11/57/38/205115738.db2.gz ANFYHIWDKXFVFN-BVYCBKJFSA-N 2 0 365.521 3.446 50 0 FGAARP Cc1sc2nc(CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)[nH]c(=O)c2c1C ZINC000067675050 205381805 /nfs/dbraw/zinc/38/18/05/205381805.db2.gz LJYPEIIQBGQEQS-UHFFFAOYSA-N 2 0 374.554 3.046 50 0 FGAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccco1 ZINC000042643895 206001848 /nfs/dbraw/zinc/00/18/48/206001848.db2.gz JZYGICUQJYIOCJ-UXHICEINSA-N 2 0 369.509 3.398 50 0 FGAARP FC1CC[NH+](Cc2ccccc2OCCCC[NH+]2CCOCC2)CC1 ZINC000215626168 206349336 /nfs/dbraw/zinc/34/93/36/206349336.db2.gz TTZYADRSWSHVOR-UHFFFAOYSA-N 2 0 350.478 3.112 50 0 FGAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc(OCC[NH+]3CCCCC3)c1)C2 ZINC000216206364 206356718 /nfs/dbraw/zinc/35/67/18/206356718.db2.gz GSFIAWSRUNXDKN-LEWJYISDSA-N 2 0 357.542 3.220 50 0 FGAARP Cc1c[nH+]ccc1N1CCN(C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000095353134 132207053 /nfs/dbraw/zinc/20/70/53/132207053.db2.gz UWLBTPYMVVVKLG-PZJWPPBQSA-N 2 0 370.541 3.083 50 0 FGAARP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)c3cccc(OC)c3)ccn2)CC1 ZINC000095407536 132210772 /nfs/dbraw/zinc/21/07/72/132210772.db2.gz WHCMSNGQHQDGJS-QGZVFWFLSA-N 2 0 354.498 3.083 50 0 FGAARP Cc1c[nH+]ccc1N1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000097099108 132227554 /nfs/dbraw/zinc/22/75/54/132227554.db2.gz CROUUCFGSNEUFG-UHFFFAOYSA-N 2 0 356.539 3.370 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071779871 494101405 /nfs/dbraw/zinc/10/14/05/494101405.db2.gz WAVDYMKYZBBCGB-IBGZPJMESA-N 2 0 352.906 3.072 50 0 FGAARP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072137200 494132471 /nfs/dbraw/zinc/13/24/71/494132471.db2.gz PHINLIFTTLHWTH-HXUWFJFHSA-N 2 0 363.521 3.226 50 0 FGAARP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)c1C ZINC000067921468 494693992 /nfs/dbraw/zinc/69/39/92/494693992.db2.gz XJALCMHPUTUNPB-UHFFFAOYSA-N 2 0 357.542 3.026 50 0 FGAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091858306 494707185 /nfs/dbraw/zinc/70/71/85/494707185.db2.gz WFFYXZHKBIWIMV-NRFANRHFSA-N 2 0 369.553 3.200 50 0 FGAARP CC(C)N1CCC[C@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821283 494764822 /nfs/dbraw/zinc/76/48/22/494764822.db2.gz QOFOCINVIYFGON-FQEVSTJZSA-N 2 0 358.530 3.019 50 0 FGAARP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095360730 494963778 /nfs/dbraw/zinc/96/37/78/494963778.db2.gz ABAGFICHWILCPM-HXUWFJFHSA-N 2 0 355.526 3.244 50 0 FGAARP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095364523 494965598 /nfs/dbraw/zinc/96/55/98/494965598.db2.gz GJBNDZSHDZYJEB-NRFANRHFSA-N 2 0 357.542 3.492 50 0 FGAARP O[C@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095529750 494988307 /nfs/dbraw/zinc/98/83/07/494988307.db2.gz JOBQXZBZJGBZSN-FQEVSTJZSA-N 2 0 364.505 3.236 50 0 FGAARP CN(c1ccccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000095997181 494993747 /nfs/dbraw/zinc/99/37/47/494993747.db2.gz CDMQXQFNHHKSMT-UNMCSNQZSA-N 2 0 373.585 3.446 50 0 FGAARP O=C1OCC2(CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)O1 ZINC000097505398 495037259 /nfs/dbraw/zinc/03/72/59/495037259.db2.gz CLRRQLZCUIBEPJ-UHFFFAOYSA-N 2 0 350.484 3.235 50 0 FGAARP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccsc1)C[C@@H]2CO ZINC000097609974 495040199 /nfs/dbraw/zinc/04/01/99/495040199.db2.gz SVNZNTGWKPHFAO-GOSISDBHSA-N 2 0 368.612 3.398 50 0 FGAARP CCCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)o1 ZINC000091445184 521397085 /nfs/dbraw/zinc/39/70/85/521397085.db2.gz XHQHUPIIIDWNOW-SFHVURJKSA-N 2 0 373.541 3.141 50 0 FGAARP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000108428962 570906808 /nfs/dbraw/zinc/90/68/08/570906808.db2.gz ABZZLPUCKQPYBY-LJQANCHMSA-N 2 0 355.482 3.101 50 0 FGAARP Cc1ccc(C2(C[N@H+](C)Cc3ccc4nsnc4c3)CC[NH2+]CC2)nc1 ZINC000065495198 205355247 /nfs/dbraw/zinc/35/52/47/205355247.db2.gz HPLRLSQGRJGUHD-UHFFFAOYSA-N 2 0 367.522 3.148 50 0 FGAARP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000067452919 205373555 /nfs/dbraw/zinc/37/35/55/205373555.db2.gz DEXQTYBONZNHKK-GASCZTMLSA-N 2 0 355.320 3.428 50 0 FGAARP C[C@@H](c1ccc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)cc1)[NH+]1CCOCC1 ZINC000067803624 205392877 /nfs/dbraw/zinc/39/28/77/205392877.db2.gz OVGSVCIVIJYHHM-SFHVURJKSA-N 2 0 366.505 3.318 50 0 FGAARP O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000072153888 494137410 /nfs/dbraw/zinc/13/74/10/494137410.db2.gz SSTZIFCSYZZRFR-QFIPXVFZSA-N 2 0 369.553 3.319 50 0 FGAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1C ZINC000023129362 494551518 /nfs/dbraw/zinc/55/15/18/494551518.db2.gz GMNLSDYYCTYMIW-QHCPKHFHSA-N 2 0 373.585 3.045 50 0 FGAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)N3CCCC3)CC2)C1 ZINC000092107671 494794151 /nfs/dbraw/zinc/79/41/51/494794151.db2.gz QVBMZYRGXQTUAG-NRFANRHFSA-N 2 0 369.553 3.200 50 0 FGAARP CN(CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000020907761 521747837 /nfs/dbraw/zinc/74/78/37/521747837.db2.gz YKWJHTUBAYJKMT-FQEVSTJZSA-N 2 0 359.558 3.466 50 0 FGAARP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000242273582 209897757 /nfs/dbraw/zinc/89/77/57/209897757.db2.gz YECVEASKKCGMPF-CQSZACIVSA-N 2 0 355.320 3.335 50 0 FGAARP COc1cc(C[NH+]2CCCC2)ccc1Oc1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000067974965 208744441 /nfs/dbraw/zinc/74/44/41/208744441.db2.gz DQLQLQAARIICML-SFHVURJKSA-N 2 0 354.450 3.346 50 0 FGAARP CC[NH+]1CCC(CC(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000095378758 209038503 /nfs/dbraw/zinc/03/85/03/209038503.db2.gz IMTXTOQPNXFGSV-OAQYLSRUSA-N 2 0 357.542 3.104 50 0 FGAARP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000048072049 136122910 /nfs/dbraw/zinc/12/29/10/136122910.db2.gz AHXNOERYZNOGBI-UHFFFAOYSA-N 2 0 367.541 3.305 50 0 FGAARP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000048711591 493841986 /nfs/dbraw/zinc/84/19/86/493841986.db2.gz ZNTSQJFFHSIPIS-HNNXBMFYSA-N 2 0 360.452 3.341 50 0 FGAARP CC(C)[C@@H]1CN(C(=O)C[NH+](C)C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072162819 494139944 /nfs/dbraw/zinc/13/99/44/494139944.db2.gz NYKIPBLNXHJWDU-FQEVSTJZSA-N 2 0 363.521 3.225 50 0 FGAARP C[NH+](C)CCCNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072430329 494172420 /nfs/dbraw/zinc/17/24/20/494172420.db2.gz BFMDRTNZEGYJEC-UHFFFAOYSA-N 2 0 373.932 3.163 50 0 FGAARP Cc1cc(C[NH2+]C[C@@H](C)n2cncn2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000055197051 494313174 /nfs/dbraw/zinc/31/31/74/494313174.db2.gz JVASELVVVIEWGI-GOSISDBHSA-N 2 0 355.530 3.478 50 0 FGAARP Cc1c(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)cnn1C ZINC000091365003 494587733 /nfs/dbraw/zinc/58/77/33/494587733.db2.gz CNMRQTVNBGKUNY-HXUWFJFHSA-N 2 0 352.526 3.430 50 0 FGAARP COc1ccc(/C=C/c2nc3ccccc3c([C@@H](C[NH3+])C[NH+](C)C)n2)cc1 ZINC000299803819 497929139 /nfs/dbraw/zinc/92/91/39/497929139.db2.gz FJTVMDDTEJWJIV-RTGRKSDTSA-N 2 0 362.477 3.413 50 0 FGAARP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1F ZINC000108421082 570906632 /nfs/dbraw/zinc/90/66/32/570906632.db2.gz IRQUDIFYWXHHFJ-FQEVSTJZSA-N 2 0 369.484 3.121 50 0 FGAARP CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCC[N@H+](C)CC3)CC2)cc1 ZINC000012149287 207344243 /nfs/dbraw/zinc/34/42/43/207344243.db2.gz FGBIPPATQGALOS-OAQYLSRUSA-N 2 0 369.553 3.015 50 0 FGAARP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000095993834 209093537 /nfs/dbraw/zinc/09/35/37/209093537.db2.gz CTUXOIVAZYWRGS-UTKZUKDTSA-N 2 0 369.509 3.255 50 0 FGAARP O[C@H](COc1ccccc1C[NH+]1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000095512785 209068638 /nfs/dbraw/zinc/06/86/38/209068638.db2.gz BFIMWBIXSYVGAV-SFHVURJKSA-N 2 0 368.468 3.143 50 0 FGAARP CCc1cc(N2CCC([NH2+][C@@H](CC)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000095529198 132214840 /nfs/dbraw/zinc/21/48/40/132214840.db2.gz DOTFTQZKUCWSJM-IBGZPJMESA-N 2 0 368.529 3.210 50 0 FGAARP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000095939821 209086764 /nfs/dbraw/zinc/08/67/64/209086764.db2.gz OIIODFGGYXZRNI-RBBKRZOGSA-N 2 0 369.553 3.231 50 0 FGAARP CC(C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072133909 494131295 /nfs/dbraw/zinc/13/12/95/494131295.db2.gz RAQQYFTVKHTDQU-FQEVSTJZSA-N 2 0 363.521 3.226 50 0 FGAARP CC1(C)CC(N2CCN(C3CC(C)(C)[NH2+]C(C)(C)C3)CC2)CC(C)(C)[NH2+]1 ZINC000019372370 494443394 /nfs/dbraw/zinc/44/33/94/494443394.db2.gz ZMSOWGAYZMVMPV-UHFFFAOYSA-N 2 0 364.622 3.222 50 0 FGAARP Clc1ccc(Cl)c(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)c1 ZINC000020435947 494473227 /nfs/dbraw/zinc/47/32/27/494473227.db2.gz UBOHJEKJOSDQPQ-UHFFFAOYSA-N 2 0 354.281 3.248 50 0 FGAARP CC(C)C[C@@H](C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)NC(=O)OC(C)(C)C ZINC000252571741 497311769 /nfs/dbraw/zinc/31/17/69/497311769.db2.gz YMPGWGWJJNLTRF-FUHWJXTLSA-N 2 0 363.502 3.474 50 0 FGAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549203 500288081 /nfs/dbraw/zinc/28/80/81/500288081.db2.gz SIMZTJQRRIEMAN-JOCHJYFZSA-N 2 0 357.542 3.198 50 0 FGAARP Cc1ccc([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CCCC2)[NH+](C)C)cc1 ZINC000534639235 504199228 /nfs/dbraw/zinc/19/92/28/504199228.db2.gz REQXSFWEBYKDAV-HXUWFJFHSA-N 2 0 360.546 3.114 50 0 FGAARP COc1cc(Br)cc(C[NH2+]CC2CC[NH2+]CC2)c1OC(C)C ZINC000040719569 522028016 /nfs/dbraw/zinc/02/80/16/522028016.db2.gz IMPYSWJGUMBZGS-UHFFFAOYSA-N 2 0 371.319 3.334 50 0 FGAARP CCCC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](CC)CC)c(OC)c1 ZINC000011998107 695604251 /nfs/dbraw/zinc/60/42/51/695604251.db2.gz ZDLARKMIRRSQQF-GOSISDBHSA-N 2 0 352.519 3.009 50 0 FGAARP CSCCC[NH2+]Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000014953666 695615719 /nfs/dbraw/zinc/61/57/19/695615719.db2.gz DKBSZFODWBEPPY-IBGZPJMESA-N 2 0 366.571 3.145 50 0 FGAARP OC[C@H]1C[N@H+](Cc2cccc(O)c2)CCC12CC[NH+](C1CCCC1)CC2 ZINC000097602493 209188710 /nfs/dbraw/zinc/18/87/10/209188710.db2.gz VVHZCWUQFMVILH-LJQANCHMSA-N 2 0 358.526 3.231 50 0 FGAARP CCC[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1NC(C)=O ZINC000095501232 209061412 /nfs/dbraw/zinc/06/14/12/209061412.db2.gz AEDDMDJFXUDCGP-UYAOXDASSA-N 2 0 363.571 3.471 50 0 FGAARP Cc1cc(-c2nn(C)c(Cl)c2C[NH+]2CCC([C@H](C)[NH+](C)C)CC2)no1 ZINC000077286744 494049057 /nfs/dbraw/zinc/04/90/57/494049057.db2.gz UPAVNJDBENIQKJ-ZDUSSCGKSA-N 2 0 365.909 3.199 50 0 FGAARP CCCCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071524407 494092822 /nfs/dbraw/zinc/09/28/22/494092822.db2.gz VVVRSLZMJSBXOS-FQEVSTJZSA-N 2 0 372.557 3.064 50 0 FGAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc4ccccc4n3)CC2)[C@H]1O ZINC000072143957 494133315 /nfs/dbraw/zinc/13/33/15/494133315.db2.gz IURAZIQYJBCYTK-YADHBBJMSA-N 2 0 359.473 3.143 50 0 FGAARP O[C@H]1[C@H]([NH2+]CCc2c[nH]c3ccccc23)c2ccccc2C12CC[NH2+]CC2 ZINC000072162331 494139988 /nfs/dbraw/zinc/13/99/88/494139988.db2.gz AKVDNNNQASYXQU-YADHBBJMSA-N 2 0 361.489 3.037 50 0 FGAARP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014748699 494324429 /nfs/dbraw/zinc/32/44/29/494324429.db2.gz LTOKXLFFZSXEDC-FGZHOGPDSA-N 2 0 371.569 3.035 50 0 FGAARP Cc1c[nH+]ccc1NCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091678681 494642142 /nfs/dbraw/zinc/64/21/42/494642142.db2.gz QCVQDBKZWBTYQP-UHFFFAOYSA-N 2 0 352.482 3.218 50 0 FGAARP CN1CCC[N@H+](Cc2ccc([C@@H]3CCCCO3)o2)CC12CC[NH+](C)CC2 ZINC000067805519 494651556 /nfs/dbraw/zinc/65/15/56/494651556.db2.gz DLQXQQDCCOADKY-IBGZPJMESA-N 2 0 361.530 3.123 50 0 FGAARP CCOc1ccc(-c2noc(CN3CC[C@@H](C)[C@@H](n4ccnc4)C3)n2)cc1 ZINC000229946956 497100997 /nfs/dbraw/zinc/10/09/97/497100997.db2.gz SAAGKMFSULVDQB-QAPCUYQASA-N 2 0 367.453 3.415 50 0 FGAARP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000242273581 497353688 /nfs/dbraw/zinc/35/36/88/497353688.db2.gz YECVEASKKCGMPF-AWEZNQCLSA-N 2 0 355.320 3.335 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CC[C@@H](n3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000575550169 505980952 /nfs/dbraw/zinc/98/09/52/505980952.db2.gz RJOLLSJAQHQLOL-HXUWFJFHSA-N 2 0 353.514 3.375 50 0 FGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000011812814 695602757 /nfs/dbraw/zinc/60/27/57/695602757.db2.gz RBEOBMHELDPCAK-KRWDZBQOSA-N 2 0 363.571 3.293 50 0 FGAARP CN(C(=O)OCc1ccccc1)[C@H](CC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000012650992 207405744 /nfs/dbraw/zinc/40/57/44/207405744.db2.gz RWNSCXSOKSKTEF-OAQYLSRUSA-N 2 0 373.541 3.451 50 0 FGAARP O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095359976 209028042 /nfs/dbraw/zinc/02/80/42/209028042.db2.gz SRDPHOJDLKVBQG-FQEVSTJZSA-N 2 0 363.505 3.289 50 0 FGAARP Cc1cc(N2CCC([N@H+]3CC=C(c4ccc(F)cc4)CC3)CC2)nc(N)[nH+]1 ZINC000095384626 132209711 /nfs/dbraw/zinc/20/97/11/132209711.db2.gz DYDSUTKXABITDJ-UHFFFAOYSA-N 2 0 367.472 3.264 50 0 FGAARP Cc1cc(N2CCC([N@H+](C)Cc3ccoc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095383609 132209914 /nfs/dbraw/zinc/20/99/14/132209914.db2.gz LYYJAVAQFPBGNU-UHFFFAOYSA-N 2 0 355.486 3.079 50 0 FGAARP Cc1ccccc1N1CCC([NH+]2CCC(CO)(C[NH+]3CCCC3)CC2)CC1 ZINC000252502601 132293001 /nfs/dbraw/zinc/29/30/01/132293001.db2.gz URJKRUZVUYJSAE-UHFFFAOYSA-N 2 0 371.569 3.134 50 0 FGAARP C[C@@H](C[NH3+])Oc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000299800804 132300713 /nfs/dbraw/zinc/30/07/13/132300713.db2.gz IYNOBCLHBAGBAU-INIZCTEOSA-N 2 0 359.901 3.388 50 0 FGAARP O[C@@H](COc1cccc(C[NH+]2CCC(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095529749 209076920 /nfs/dbraw/zinc/07/69/20/209076920.db2.gz JOBQXZBZJGBZSN-HXUWFJFHSA-N 2 0 364.505 3.236 50 0 FGAARP COc1cc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cc(Cl)c1O ZINC000072130783 494130532 /nfs/dbraw/zinc/13/05/32/494130532.db2.gz UICKAOZKZCSJCV-UHFFFAOYSA-N 2 0 361.873 3.470 50 0 FGAARP CN1CC2(CC[NH+](Cc3cc(C[NH+]4CCCCC4)cs3)CC2)OC1=O ZINC000072411364 494166864 /nfs/dbraw/zinc/16/68/64/494166864.db2.gz DCWBDIXOYUVDCH-UHFFFAOYSA-N 2 0 363.527 3.151 50 0 FGAARP CCCOc1c(Br)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000020968205 494484809 /nfs/dbraw/zinc/48/48/09/494484809.db2.gz OJNQIZHIYVWLQN-UHFFFAOYSA-N 2 0 371.319 3.336 50 0 FGAARP COC[C@@H]1CCCC[N@@H+]1Cc1cc(CN2CC[NH+](C)CC2)c(C)cc1C ZINC000215939636 496984620 /nfs/dbraw/zinc/98/46/20/496984620.db2.gz QIATUSYCTNEVBG-QFIPXVFZSA-N 2 0 359.558 3.052 50 0 FGAARP Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000216215923 496987490 /nfs/dbraw/zinc/98/74/90/496987490.db2.gz OHVYHXPIEJEYCJ-UHFFFAOYSA-N 2 0 356.514 3.032 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CC[C@H](n3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000575550166 505981019 /nfs/dbraw/zinc/98/10/19/505981019.db2.gz RJOLLSJAQHQLOL-FQEVSTJZSA-N 2 0 353.514 3.375 50 0 FGAARP Cc1cc(C[NH+]2CCCC2)cc(-c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)c1 ZINC000584901793 507564388 /nfs/dbraw/zinc/56/43/88/507564388.db2.gz AIJHSRIJNREQFL-QFIPXVFZSA-N 2 0 363.505 3.431 50 0 FGAARP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000105421710 570872377 /nfs/dbraw/zinc/87/23/77/570872377.db2.gz NXGUFYHZJDDYIM-IRXDYDNUSA-N 2 0 370.541 3.419 50 0 FGAARP COC[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC12CC[NH2+]CC2 ZINC000169789812 705351601 /nfs/dbraw/zinc/35/16/01/705351601.db2.gz CNGXGZBRNAGKAC-HNNXBMFYSA-N 2 0 358.404 3.033 50 0 FGAARP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585654 209350898 /nfs/dbraw/zinc/35/08/98/209350898.db2.gz IIXNMFJKPWAWEP-QIJUGHKUSA-N 2 0 365.521 3.240 50 0 FGAARP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000097102813 209171604 /nfs/dbraw/zinc/17/16/04/209171604.db2.gz MWVOKKFVNUQMFR-UHFFFAOYSA-N 2 0 370.541 3.500 50 0 FGAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C/C=C/c2ccco2)CC1 ZINC000012432031 207376062 /nfs/dbraw/zinc/37/60/62/207376062.db2.gz MVIYLFLYFGDAFW-PDGUBNMISA-N 2 0 373.541 3.386 50 0 FGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccn2)CC1 ZINC000012443123 207378256 /nfs/dbraw/zinc/37/82/56/207378256.db2.gz YDOOVGYOAZOCKR-UHFFFAOYSA-N 2 0 353.510 3.477 50 0 FGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)CCC(C)C)ccc1OC ZINC000015063618 207540913 /nfs/dbraw/zinc/54/09/13/207540913.db2.gz NLYLBLUYQVIMNK-IBGZPJMESA-N 2 0 366.546 3.255 50 0 FGAARP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000039490421 208210067 /nfs/dbraw/zinc/21/00/67/208210067.db2.gz KLGFOZOLTJSYOQ-HSZRJFAPSA-N 2 0 373.585 3.045 50 0 FGAARP CC[N@H+](C)Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000039541480 208210850 /nfs/dbraw/zinc/21/08/50/208210850.db2.gz ULQNBBNTSGDNDV-IBGZPJMESA-N 2 0 364.530 3.153 50 0 FGAARP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CN2 ZINC000069350113 493961721 /nfs/dbraw/zinc/96/17/21/493961721.db2.gz UQUXNEZUXZGTII-HXUWFJFHSA-N 2 0 353.514 3.009 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071779873 494101133 /nfs/dbraw/zinc/10/11/33/494101133.db2.gz WAVDYMKYZBBCGB-LJQANCHMSA-N 2 0 352.906 3.072 50 0 FGAARP C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCC[NH+]1CCCCC1)C2 ZINC000215163506 496979435 /nfs/dbraw/zinc/97/94/35/496979435.db2.gz AYSGFJZOLMHUIB-PZJWPPBQSA-N 2 0 357.542 3.077 50 0 FGAARP C[NH+]1CCC(CNC(=O)C2([NH+]3CCCC3)CCCC2)(c2ccccc2)CC1 ZINC000223714742 497041653 /nfs/dbraw/zinc/04/16/53/497041653.db2.gz IHMSGEDDLJEYRZ-UHFFFAOYSA-N 2 0 369.553 3.175 50 0 FGAARP Cc1ccccc1[C@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000534676235 504212766 /nfs/dbraw/zinc/21/27/66/504212766.db2.gz UVCAHYHWHSZDPM-NRFANRHFSA-N 2 0 372.557 3.258 50 0 FGAARP CC1CC[NH+](Cc2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](c4ccccc4)C3)o2)CC1 ZINC000091665153 521021495 /nfs/dbraw/zinc/02/14/95/521021495.db2.gz RQYXDIHCLUSQHP-UXHICEINSA-N 2 0 367.493 3.078 50 0 FGAARP COCC[NH+]1CCC(C[N@H+](CCCC(F)(F)F)C[C@@H]2CCCO2)CC1 ZINC000011954853 695603519 /nfs/dbraw/zinc/60/35/19/695603519.db2.gz HIVIISJQCUSJGB-KRWDZBQOSA-N 2 0 366.468 3.168 50 0 FGAARP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(C)o1)C[C@@H]2CO ZINC000097713602 209193081 /nfs/dbraw/zinc/19/30/81/209193081.db2.gz DRGVUJGQUFENEP-GOSISDBHSA-N 2 0 366.571 3.238 50 0 FGAARP C[NH+]1CCC(N2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2=O)CC1 ZINC000012300625 207355540 /nfs/dbraw/zinc/35/55/40/207355540.db2.gz NOZMKPIQPUNVKS-LRQRDZAKSA-N 2 0 373.928 3.172 50 0 FGAARP c1cnn(CCC[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012467321 207379937 /nfs/dbraw/zinc/37/99/37/207379937.db2.gz PEKCYYYFHOQXSC-QFIPXVFZSA-N 2 0 374.573 3.409 50 0 FGAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000091933482 209005931 /nfs/dbraw/zinc/00/59/31/209005931.db2.gz HXWBXMBDZKLIAW-HXUWFJFHSA-N 2 0 350.510 3.365 50 0 FGAARP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000095993837 209093574 /nfs/dbraw/zinc/09/35/74/209093574.db2.gz CTUXOIVAZYWRGS-LAUBAEHRSA-N 2 0 369.509 3.255 50 0 FGAARP C[NH+](C)CCN1C[C@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000092022808 209012872 /nfs/dbraw/zinc/01/28/72/209012872.db2.gz USUWCQMYQSFCGR-JOCHJYFZSA-N 2 0 369.509 3.199 50 0 FGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC ZINC000095507367 209067858 /nfs/dbraw/zinc/06/78/58/209067858.db2.gz QVRADJXCDLGSMS-SFHVURJKSA-N 2 0 364.530 3.151 50 0 FGAARP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(C)(C)C ZINC000076016692 493809208 /nfs/dbraw/zinc/80/92/08/493809208.db2.gz HWKVOUTZFFVWKW-ZBFHGGJFSA-N 2 0 354.564 3.016 50 0 FGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000002651522 493814549 /nfs/dbraw/zinc/81/45/49/493814549.db2.gz FSOJSOFWGSSZTL-QUCCMNQESA-N 2 0 350.547 3.452 50 0 FGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CCc1ccccc1)C2 ZINC000072129716 494130980 /nfs/dbraw/zinc/13/09/80/494130980.db2.gz RSJHLGYFVXAXQW-ZLNRFVROSA-N 2 0 372.553 3.069 50 0 FGAARP CN(C)CC[NH+]1CCC(C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000072274481 494147664 /nfs/dbraw/zinc/14/76/64/494147664.db2.gz IZJVGHXHPLDVCI-UHFFFAOYSA-N 2 0 364.584 3.235 50 0 FGAARP C[C@H](C1CC[NH+](Cc2cccc(OCC[NH+](C)C)c2)CC1)[NH+]1CCCC1 ZINC000072427291 494171852 /nfs/dbraw/zinc/17/18/52/494171852.db2.gz DKXSWXMCPYQWDL-LJQANCHMSA-N 3 0 359.558 3.323 50 0 FGAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](CCCc2ccccc2)CC3)C1 ZINC000091707488 494655401 /nfs/dbraw/zinc/65/54/01/494655401.db2.gz XYHXUJOBDTYZSA-OAQYLSRUSA-N 2 0 369.553 3.028 50 0 FGAARP C[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000075109363 494692272 /nfs/dbraw/zinc/69/22/72/494692272.db2.gz YEUOFQLSMOLHEM-DYESRHJHSA-N 2 0 355.526 3.345 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247739200 496911777 /nfs/dbraw/zinc/91/17/77/496911777.db2.gz MONFWAAHLGTHBO-UHFFFAOYSA-N 2 0 371.912 3.405 50 0 FGAARP Cc1cccc(Cn2cc(C[NH2+]CCC[NH2+]CCO)c3ccccc32)c1 ZINC000247871008 496923798 /nfs/dbraw/zinc/92/37/98/496923798.db2.gz LEFBQRPQBQHOSM-UHFFFAOYSA-N 2 0 351.494 3.060 50 0 FGAARP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000225406438 497061623 /nfs/dbraw/zinc/06/16/23/497061623.db2.gz GWEYFTXLFCKVAE-VQIMIIECSA-N 2 0 365.562 3.486 50 0 FGAARP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccc4[nH+]ccc(N)c4c3)c2)C1 ZINC000534648378 504202486 /nfs/dbraw/zinc/20/24/86/504202486.db2.gz ANAALHAAIUVSSW-SFHVURJKSA-N 2 0 360.461 3.260 50 0 FGAARP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000108428964 570906604 /nfs/dbraw/zinc/90/66/04/570906604.db2.gz ABZZLPUCKQPYBY-IBGZPJMESA-N 2 0 355.482 3.101 50 0 FGAARP CC[NH+](CC)Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(-c2ccccc2)o1 ZINC000077487146 571140501 /nfs/dbraw/zinc/14/05/01/571140501.db2.gz AFXOWJAQPBSYMG-FXAWDEMLSA-N 2 0 367.493 3.222 50 0 FGAARP CSCCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000014953671 695615735 /nfs/dbraw/zinc/61/57/35/695615735.db2.gz DKBSZFODWBEPPY-LJQANCHMSA-N 2 0 366.571 3.145 50 0 FGAARP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337194 209178383 /nfs/dbraw/zinc/17/83/83/209178383.db2.gz SRFHETVTVBRRMM-FQEVSTJZSA-N 2 0 360.546 3.243 50 0 FGAARP c1ccc(C[NH+]2CCOCC[NH+](Cc3ccccc3)CCOCC2)cc1 ZINC000000639113 493766848 /nfs/dbraw/zinc/76/68/48/493766848.db2.gz ORNZFALTEDJMDJ-UHFFFAOYSA-N 2 0 354.494 3.038 50 0 FGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000002651525 493814177 /nfs/dbraw/zinc/81/41/77/493814177.db2.gz FSOJSOFWGSSZTL-AZUAARDMSA-N 2 0 350.547 3.452 50 0 FGAARP C[C@H](C1CC[NH+](Cc2ccccc2OC(F)F)CC1)[NH+]1CCOCC1 ZINC000072409365 494165659 /nfs/dbraw/zinc/16/56/59/494165659.db2.gz QSBITQUJEIGEOL-OAHLLOKOSA-N 2 0 354.441 3.221 50 0 FGAARP [NH3+]CCc1cccc(C[NH+]2CCC([C@H](O)CCc3ccccc3)CC2)c1 ZINC000072422537 494169365 /nfs/dbraw/zinc/16/93/65/494169365.db2.gz KNWKVVVZGHCKGF-HSZRJFAPSA-N 2 0 352.522 3.394 50 0 FGAARP Cc1ccc2cc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)c(=O)[nH]c2c1 ZINC000067789300 494648618 /nfs/dbraw/zinc/64/86/18/494648618.db2.gz UVTJOLCIOMMCNX-UHFFFAOYSA-N 2 0 353.510 3.390 50 0 FGAARP C[NH+](C)Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000222367661 497022266 /nfs/dbraw/zinc/02/22/66/497022266.db2.gz OOWPDOUWYKVITA-UHFFFAOYSA-N 2 0 365.521 3.244 50 0 FGAARP O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCC12CCC[NH+]1CCC2 ZINC000223238059 497034695 /nfs/dbraw/zinc/03/46/95/497034695.db2.gz DEDSEVBSPSZHPE-UHFFFAOYSA-N 2 0 355.526 3.001 50 0 FGAARP CCCC[C@H]1C[N@H+](CCC(=O)NCc2nc(C)c[nH]2)Cc2ccccc2O1 ZINC000299759134 497913400 /nfs/dbraw/zinc/91/34/00/497913400.db2.gz OUIVIKLFNJHHNR-SFHVURJKSA-N 2 0 370.497 3.178 50 0 FGAARP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000108428887 570906588 /nfs/dbraw/zinc/90/65/88/570906588.db2.gz YAUPPULZXGYSGM-GOSISDBHSA-N 2 0 373.497 3.310 50 0 FGAARP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000108394268 570906825 /nfs/dbraw/zinc/90/68/25/570906825.db2.gz OIIODFGGYXZRNI-UNMCSNQZSA-N 2 0 369.553 3.231 50 0 FGAARP Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000670461998 571357087 /nfs/dbraw/zinc/35/70/87/571357087.db2.gz YSBPWRNAPPTSJN-IBGZPJMESA-N 2 0 374.554 3.023 50 0 FGAARP CCCC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](CC)CC)c(OC)c1 ZINC000011998106 695604331 /nfs/dbraw/zinc/60/43/31/695604331.db2.gz ZDLARKMIRRSQQF-SFHVURJKSA-N 2 0 352.519 3.009 50 0 FGAARP c1sc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cc1C[NH+]1CCCCC1 ZINC000039508879 208211477 /nfs/dbraw/zinc/21/14/77/208211477.db2.gz NIFXMKVRRKWJNG-IBGZPJMESA-N 2 0 363.571 3.031 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)CC1 ZINC000012072814 494201802 /nfs/dbraw/zinc/20/18/02/494201802.db2.gz BTSKLLFYEOBSTP-QFIPXVFZSA-N 3 0 365.606 3.035 50 0 FGAARP CCC(CC)[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012448274 494234981 /nfs/dbraw/zinc/23/49/81/494234981.db2.gz OAZYRFLFUJANAV-UHFFFAOYSA-N 2 0 372.557 3.063 50 0 FGAARP CCc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](CCOC)CC2)o1 ZINC000012760863 494255042 /nfs/dbraw/zinc/25/50/42/494255042.db2.gz XIMZKQHTNMRNBA-FQEVSTJZSA-N 2 0 364.530 3.181 50 0 FGAARP CC(C)[C@H]1CCC[N@H+](Cc2ccccc2OCCN2CC[NH+](C)CC2)C1 ZINC000215350043 496980691 /nfs/dbraw/zinc/98/06/91/496980691.db2.gz FTRNOKOQWYMUKV-FQEVSTJZSA-N 2 0 359.558 3.181 50 0 FGAARP O=c1cc([C@H]2C[C@@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)nc(C2CC2)[nH]1 ZINC000253535373 497336737 /nfs/dbraw/zinc/33/67/37/497336737.db2.gz NGSJTJRZKRWWFQ-WOVMCDHWSA-N 2 0 356.514 3.208 50 0 FGAARP Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426551312 500288227 /nfs/dbraw/zinc/28/82/27/500288227.db2.gz OHWPGGCJZIVDQA-QGZVFWFLSA-N 2 0 366.575 3.004 50 0 FGAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H](C[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269253264 525415659 /nfs/dbraw/zinc/41/56/59/525415659.db2.gz IIXNMFJKPWAWEP-STZQEDGTSA-N 2 0 365.521 3.240 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040720713 211755293 /nfs/dbraw/zinc/75/52/93/211755293.db2.gz WNEFJYVHCSVCLW-UHFFFAOYSA-N 2 0 366.864 3.120 50 0 FGAARP Cc1ccc(C2(C[N@H+](C)Cc3[nH]nc4c3CCCCC4)CC[NH2+]CC2)nc1 ZINC000067692342 221272635 /nfs/dbraw/zinc/27/26/35/221272635.db2.gz XPZOEUYZUPXGSF-UHFFFAOYSA-N 2 0 367.541 3.135 50 0 FGAARP OC[C@@H]1C[N@H+](Cc2ccoc2)CCC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000097610096 222198614 /nfs/dbraw/zinc/19/86/14/222198614.db2.gz KHGHFUJYNQBALR-FQEVSTJZSA-N 2 0 370.493 3.082 50 0 FGAARP Cc1cccc(CC2([NH2+][C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)c1 ZINC000072409682 494166461 /nfs/dbraw/zinc/16/64/61/494166461.db2.gz UIGFWIBKKFABFU-YADHBBJMSA-N 2 0 362.517 3.397 50 0 FGAARP CC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000012458004 494234722 /nfs/dbraw/zinc/23/47/22/494234722.db2.gz KFCFWFKIEXEKOZ-JOCHJYFZSA-N 2 0 361.574 3.366 50 0 FGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012589126 494245480 /nfs/dbraw/zinc/24/54/80/494245480.db2.gz MGENZOSHHAYOMQ-ONEGZZNKSA-N 2 0 361.505 3.009 50 0 FGAARP O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095378652 494969463 /nfs/dbraw/zinc/96/94/63/494969463.db2.gz DCXZNGRLVXWCGG-HXUWFJFHSA-N 2 0 355.526 3.244 50 0 FGAARP C[NH+]1CCC(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)(c2ccccc2)CC1 ZINC000095386639 494971991 /nfs/dbraw/zinc/97/19/91/494971991.db2.gz AETOQZVZBXCDPC-FQEVSTJZSA-N 2 0 357.542 3.031 50 0 FGAARP CN(CCC[NH+]1CCCCCC1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095390731 494973146 /nfs/dbraw/zinc/97/31/46/494973146.db2.gz KMQLEMKABNUMFA-OAQYLSRUSA-N 2 0 357.542 3.492 50 0 FGAARP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000108428966 570906675 /nfs/dbraw/zinc/90/66/75/570906675.db2.gz YPVVCOQNXODQTJ-GOSISDBHSA-N 2 0 355.482 3.101 50 0 FGAARP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000058172678 221102912 /nfs/dbraw/zinc/10/29/12/221102912.db2.gz JREZLPZBOCDAOA-LJQANCHMSA-N 2 0 374.573 3.448 50 0 FGAARP c1ccc(CSc2ncc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000097334242 222176340 /nfs/dbraw/zinc/17/63/40/222176340.db2.gz DMAJTUAADPHZQB-UHFFFAOYSA-N 2 0 354.523 3.344 50 0 FGAARP OC[C@@H]1C[N@H+](Cc2cccc(O)c2)CCC12CC[NH+](C1CCCC1)CC2 ZINC000097602491 222197582 /nfs/dbraw/zinc/19/75/82/222197582.db2.gz VVHZCWUQFMVILH-IBGZPJMESA-N 2 0 358.526 3.231 50 0 FGAARP Cc1cccc(NC(=S)N(CC[NH+](C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000003026003 493828808 /nfs/dbraw/zinc/82/88/08/493828808.db2.gz WQJNTZOQVXVJJR-UHFFFAOYSA-N 2 0 362.587 3.428 50 0 FGAARP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(-c2cc3ccccc3o2)n1 ZINC000058224483 493835761 /nfs/dbraw/zinc/83/57/61/493835761.db2.gz FKIINHLJIIQPRW-UHFFFAOYSA-N 2 0 368.481 3.035 50 0 FGAARP O=C1CC[C@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@H]2N1CCC1=CCCCC1 ZINC000072424366 494170578 /nfs/dbraw/zinc/17/05/78/494170578.db2.gz PQJZMFBJCNXVNJ-LEWJYISDSA-N 2 0 359.558 3.189 50 0 FGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012093236 494203597 /nfs/dbraw/zinc/20/35/97/494203597.db2.gz SMYQHJKCNYZZQO-UHFFFAOYSA-N 2 0 351.922 3.010 50 0 FGAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000012586524 494243342 /nfs/dbraw/zinc/24/33/42/494243342.db2.gz CXZQQGBTZOELJH-QFIPXVFZSA-N 2 0 371.569 3.308 50 0 FGAARP COc1ccc(C[NH2+]C(C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012597493 494245192 /nfs/dbraw/zinc/24/51/92/494245192.db2.gz YVNXDBKVJVEJEJ-HXUWFJFHSA-N 2 0 372.509 3.065 50 0 FGAARP CN(C(=O)OCc1ccccc1)[C@@H](CC1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000012650988 494249485 /nfs/dbraw/zinc/24/94/85/494249485.db2.gz RWNSCXSOKSKTEF-NRFANRHFSA-N 2 0 373.541 3.451 50 0 FGAARP CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000091746504 494665244 /nfs/dbraw/zinc/66/52/44/494665244.db2.gz DYZBJWOZAUXMHG-UHFFFAOYSA-N 2 0 368.460 3.062 50 0 FGAARP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000095378653 494969797 /nfs/dbraw/zinc/96/97/97/494969797.db2.gz DCXZNGRLVXWCGG-FQEVSTJZSA-N 2 0 355.526 3.244 50 0 FGAARP COc1ccc2cc(C[N@@H+]3CCC[C@@H](CN4CC[NH+](C)CC4)C3)ccc2c1 ZINC000215723542 496982954 /nfs/dbraw/zinc/98/29/54/496982954.db2.gz DHDLJWUUBRIZBA-FQEVSTJZSA-N 2 0 367.537 3.308 50 0 FGAARP COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OCc1ccccc1F ZINC000216349833 496988349 /nfs/dbraw/zinc/98/83/49/496988349.db2.gz RAVHWLPBLITFRW-KDURUIRLSA-N 2 0 370.468 3.407 50 0 FGAARP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000237443262 497238253 /nfs/dbraw/zinc/23/82/53/497238253.db2.gz JBRRVZIPUHNRBN-AWEZNQCLSA-N 2 0 358.404 3.210 50 0 FGAARP Cc1cc(N2CCC[N@H+](C[C@H]3CC(c4ccccc4)=NO3)CC2)cc[nH+]1 ZINC000252482074 497302814 /nfs/dbraw/zinc/30/28/14/497302814.db2.gz CXKLUSLDZNSKQL-HXUWFJFHSA-N 2 0 350.466 3.095 50 0 FGAARP CN(C)Cc1nnc([C@H]2C[C@@H](Nc3ccnc4cc(Cl)ccc43)C2)n1C ZINC000252528008 497310508 /nfs/dbraw/zinc/31/05/08/497310508.db2.gz DXUONXKETRMSDL-XBXGTLAGSA-N 2 0 370.888 3.436 50 0 FGAARP O=C(NC1CC[NH2+]CC1)c1cccc(-c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000426527661 500285478 /nfs/dbraw/zinc/28/54/78/500285478.db2.gz DRDCAZUWYFHQGM-UHFFFAOYSA-N 2 0 363.505 3.431 50 0 FGAARP COCC[NH+]1CCC(C[N@H+](CCc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000011996778 210101062 /nfs/dbraw/zinc/10/10/62/210101062.db2.gz AFIUEVIEYSOOFH-QFIPXVFZSA-N 2 0 360.542 3.069 50 0 FGAARP O[C@H](COc1ccccc1C[NH2+]C1CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012716303 220021429 /nfs/dbraw/zinc/02/14/29/220021429.db2.gz USQUJYMRZNMKMV-QFIPXVFZSA-N 2 0 366.505 3.127 50 0 FGAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCCCCCC3)C[C@@H]2CCO)CC1 ZINC000020481348 211282778 /nfs/dbraw/zinc/28/27/78/211282778.db2.gz LBYYZIVQTYSWPZ-QFIPXVFZSA-N 2 0 365.606 3.341 50 0 FGAARP O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101374041 222271763 /nfs/dbraw/zinc/27/17/63/222271763.db2.gz UCJXUHSKMQQRFI-SFHVURJKSA-N 2 0 368.477 3.321 50 0 FGAARP COc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000077406098 494076134 /nfs/dbraw/zinc/07/61/34/494076134.db2.gz GDIRJIUQAWRAJM-INIZCTEOSA-N 2 0 365.949 3.197 50 0 FGAARP Cc1cc(N2CCC[N@H+](Cc3ccc(Cn4cccn4)cc3)CC2)cc[nH+]1 ZINC000072154197 494136872 /nfs/dbraw/zinc/13/68/72/494136872.db2.gz HUGQWSKOURXYIG-UHFFFAOYSA-N 2 0 361.493 3.347 50 0 FGAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCCc1ccccc1 ZINC000040719371 494146145 /nfs/dbraw/zinc/14/61/45/494146145.db2.gz QIZAAKWZVNJGJR-UHFFFAOYSA-N 2 0 354.494 3.406 50 0 FGAARP C[NH+](C)CCNC(=O)c1sc2ccccc2c1C1CCC(C[NH3+])CC1 ZINC000072345877 494154736 /nfs/dbraw/zinc/15/47/36/494154736.db2.gz IAFZOVPODQLCKF-UHFFFAOYSA-N 2 0 359.539 3.425 50 0 FGAARP CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072428190 494171564 /nfs/dbraw/zinc/17/15/64/494171564.db2.gz OJWZFJUVNXXIRN-HXUWFJFHSA-N 2 0 353.514 3.331 50 0 FGAARP Cc1ccc(CN(C(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)C2CCCC2)cc1 ZINC000072432810 494173422 /nfs/dbraw/zinc/17/34/22/494173422.db2.gz FNDIPJNNDSFPFX-NRFANRHFSA-N 2 0 369.553 3.340 50 0 FGAARP CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072431466 494173631 /nfs/dbraw/zinc/17/36/31/494173631.db2.gz DWSLIUYTAFCRHA-SFHVURJKSA-N 2 0 363.933 3.153 50 0 FGAARP Cc1cc(C[NH+]2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)[nH]n1 ZINC000011664082 494184929 /nfs/dbraw/zinc/18/49/29/494184929.db2.gz SIBLJMHFCNXVDK-OAQYLSRUSA-N 2 0 352.526 3.495 50 0 FGAARP Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)s1 ZINC000012752923 494255855 /nfs/dbraw/zinc/25/58/55/494255855.db2.gz FZAYENFNGWGNEQ-KRWDZBQOSA-N 2 0 363.571 3.258 50 0 FGAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(-c3ccccc3)s1)CC2 ZINC000091908052 494718716 /nfs/dbraw/zinc/71/87/16/494718716.db2.gz RBUYWGXANINSGF-UXHICEINSA-N 2 0 372.534 3.106 50 0 FGAARP CN(c1ccccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000095997180 494994150 /nfs/dbraw/zinc/99/41/50/494994150.db2.gz CDMQXQFNHHKSMT-IRLDBZIGSA-N 2 0 373.585 3.446 50 0 FGAARP Cc1cc(C[N@H+]2CCCC[C@@H]2C)c(C)c(C[NH+]2CCC(=O)N(C)CC2)c1 ZINC000215613698 496981791 /nfs/dbraw/zinc/98/17/91/496981791.db2.gz QDWAFXSNQBAUEN-SFHVURJKSA-N 2 0 357.542 3.342 50 0 FGAARP c1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)sc1C[NH+]1CCCCC1 ZINC000020599222 526424682 /nfs/dbraw/zinc/42/46/82/526424682.db2.gz SZOVAQJQNYSTLF-SFHVURJKSA-N 2 0 363.571 3.031 50 0 FGAARP c1ccc(OCC[NH+]2CCCCC2)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000216129048 568107309 /nfs/dbraw/zinc/10/73/09/568107309.db2.gz CXKPBQOVXQNKDC-NRFANRHFSA-N 2 0 357.542 3.221 50 0 FGAARP NC(=O)C1CC[NH+](CCC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000048375454 570954012 /nfs/dbraw/zinc/95/40/12/570954012.db2.gz TVLBASLSMMUVBE-UHFFFAOYSA-N 2 0 357.523 3.092 50 0 FGAARP CSCC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000011844313 695603213 /nfs/dbraw/zinc/60/32/13/695603213.db2.gz CFBDJKJADJUFPZ-IBGZPJMESA-N 2 0 366.571 3.143 50 0 FGAARP c1cnn(CCC[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012467328 210961253 /nfs/dbraw/zinc/96/12/53/210961253.db2.gz PEKCYYYFHOQXSC-JOCHJYFZSA-N 2 0 374.573 3.409 50 0 FGAARP Clc1cccc(-c2noc(CC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000075109036 136150193 /nfs/dbraw/zinc/15/01/93/136150193.db2.gz NIGKDBXWKHDXPD-UHFFFAOYSA-N 2 0 369.856 3.150 50 0 FGAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000097619713 222200205 /nfs/dbraw/zinc/20/02/05/222200205.db2.gz TYXSSIRAQISYLL-LJQANCHMSA-N 2 0 363.933 3.295 50 0 FGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000002489765 493810055 /nfs/dbraw/zinc/81/00/55/493810055.db2.gz VVSFFTWYJQJTLV-UHFFFAOYSA-N 2 0 356.352 3.155 50 0 FGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccccc1)C2 ZINC000072166872 494141724 /nfs/dbraw/zinc/14/17/24/494141724.db2.gz RUZZSTLWGYHLIL-VSKRKVRLSA-N 2 0 358.526 3.026 50 0 FGAARP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118944 494304283 /nfs/dbraw/zinc/30/42/83/494304283.db2.gz FRCPSSNJVNMOPR-GOSISDBHSA-N 2 0 356.514 3.142 50 0 FGAARP C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000095446763 494975153 /nfs/dbraw/zinc/97/51/53/494975153.db2.gz OPFVGQYKHFCDBN-SFHVURJKSA-N 2 0 355.448 3.306 50 0 FGAARP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)CC(C)C ZINC000095459572 494976783 /nfs/dbraw/zinc/97/67/83/494976783.db2.gz JITJUZMWLTYJAX-LJQANCHMSA-N 2 0 351.579 3.467 50 0 FGAARP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000584889093 507557010 /nfs/dbraw/zinc/55/70/10/507557010.db2.gz MXFKVFUDXOLMBI-NRFANRHFSA-N 2 0 372.557 3.339 50 0 FGAARP C[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000020058113 524314878 /nfs/dbraw/zinc/31/48/78/524314878.db2.gz LHORUFSBIBEAIK-GOSISDBHSA-N 2 0 359.558 3.206 50 0 FGAARP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399237 571220029 /nfs/dbraw/zinc/22/00/29/571220029.db2.gz OLXWAGHMSLCSQN-QFIPXVFZSA-N 2 0 357.542 3.198 50 0 FGAARP Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012031368 211316723 /nfs/dbraw/zinc/31/67/23/211316723.db2.gz LXKQNJBHWAYIQV-QHCPKHFHSA-N 2 0 369.553 3.151 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013733274 211053525 /nfs/dbraw/zinc/05/35/25/211053525.db2.gz JSDSPESFJPJIGJ-UHFFFAOYSA-N 2 0 371.912 3.405 50 0 FGAARP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)CC1 ZINC000065381194 221206103 /nfs/dbraw/zinc/20/61/03/221206103.db2.gz GMRBFTOODDQYHO-HXUWFJFHSA-N 2 0 352.526 3.227 50 0 FGAARP C[C@H](C[NH3+])Oc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000299800807 132300769 /nfs/dbraw/zinc/30/07/69/132300769.db2.gz IYNOBCLHBAGBAU-MRXNPFEDSA-N 2 0 359.901 3.388 50 0 FGAARP Cc1ccc(NC(=O)COc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)cc1 ZINC000040719947 494146385 /nfs/dbraw/zinc/14/63/85/494146385.db2.gz OFTVNHWUYFLFBM-UHFFFAOYSA-N 2 0 367.493 3.102 50 0 FGAARP Cn1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012300693 494220636 /nfs/dbraw/zinc/22/06/36/494220636.db2.gz LPHQTRGGABHAPK-OAQYLSRUSA-N 2 0 360.546 3.056 50 0 FGAARP COc1ccc(C[N@@H+]2CCCC2(C)C)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095497463 494980614 /nfs/dbraw/zinc/98/06/14/494980614.db2.gz XLNOAZWZGYLZBA-GOSISDBHSA-N 2 0 364.530 3.150 50 0 FGAARP CN(CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998065 521748551 /nfs/dbraw/zinc/74/85/51/521748551.db2.gz AWRCQVUQGVZQIS-GOSISDBHSA-N 2 0 358.555 3.268 50 0 FGAARP c1coc(C[NH+]2CCC(N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)CC2)c1 ZINC000091635865 526566004 /nfs/dbraw/zinc/56/60/04/526566004.db2.gz MCMLYXFAFUVROI-TZIWHRDSSA-N 2 0 357.542 3.440 50 0 FGAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)N(C)c1ccccc1 ZINC000012930463 211008222 /nfs/dbraw/zinc/00/82/22/211008222.db2.gz VFIIDVWRDOIRSY-SFHVURJKSA-N 2 0 351.494 3.424 50 0 FGAARP c1ccc(N2CC[NH+](Cc3ccc(OC[C@@H]4CCC[NH2+]C4)cc3)CC2)cc1 ZINC000299760884 132297933 /nfs/dbraw/zinc/29/79/33/132297933.db2.gz XYWNEMUETOSSTL-OAQYLSRUSA-N 2 0 365.521 3.387 50 0 FGAARP CN1C[C@]2(CCC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)CC2)OC1=O ZINC000097572220 222192312 /nfs/dbraw/zinc/19/23/12/222192312.db2.gz JGKKIQSWVVSNAC-LJQANCHMSA-N 2 0 363.527 3.151 50 0 FGAARP CC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(CN2CC[NH+](CC)CC2)c1C ZINC000077488699 494093888 /nfs/dbraw/zinc/09/38/88/494093888.db2.gz ABBSXIOXQAYXGL-QFIPXVFZSA-N 2 0 359.558 3.052 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2cccc(OCC[NH+](C)C)c2)CC1)[NH+]1CCCC1 ZINC000072427290 494171390 /nfs/dbraw/zinc/17/13/90/494171390.db2.gz DKXSWXMCPYQWDL-IBGZPJMESA-N 3 0 359.558 3.323 50 0 FGAARP OC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@H]1C[NH+]1CCCC1 ZINC000091848888 494704687 /nfs/dbraw/zinc/70/46/87/494704687.db2.gz JGXYDXKAXCYMMH-DHIUTWEWSA-N 2 0 350.506 3.490 50 0 FGAARP CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000092020537 494759350 /nfs/dbraw/zinc/75/93/50/494759350.db2.gz AKDLLPBUQGCTHN-OAQYLSRUSA-N 2 0 369.553 3.158 50 0 FGAARP Cc1nccn1CC[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983596 /nfs/dbraw/zinc/98/35/96/494983596.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 2 0 358.505 3.217 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247753696 496912121 /nfs/dbraw/zinc/91/21/21/496912121.db2.gz XWKVXNIYTHIJDC-UHFFFAOYSA-N 2 0 371.912 3.405 50 0 FGAARP COc1ccc2cc(C[N@@H+]3CCC[C@H](CN4CC[NH+](C)CC4)C3)ccc2c1 ZINC000215723583 496983394 /nfs/dbraw/zinc/98/33/94/496983394.db2.gz DHDLJWUUBRIZBA-HXUWFJFHSA-N 2 0 367.537 3.308 50 0 FGAARP CN1c2ccccc2[C@]2(CCC[N@H+](Cc3cc(C[NH+](C)C)cs3)C2)C1=O ZINC000215960052 496985343 /nfs/dbraw/zinc/98/53/43/496985343.db2.gz YDTSRRSBDJAOCR-OAQYLSRUSA-N 2 0 369.534 3.320 50 0 FGAARP O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCn2ccnc2)C1 ZINC000216308671 496988216 /nfs/dbraw/zinc/98/82/16/496988216.db2.gz QTHHBIGRRZWFOI-QFIPXVFZSA-N 2 0 363.461 3.056 50 0 FGAARP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509790 497308029 /nfs/dbraw/zinc/30/80/29/497308029.db2.gz YVTZSMXVOYRSPG-NRFANRHFSA-N 2 0 373.541 3.010 50 0 FGAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269268327 525244257 /nfs/dbraw/zinc/24/42/57/525244257.db2.gz QRWVCWFJLBDUPE-BVYCBKJFSA-N 2 0 365.521 3.068 50 0 FGAARP CCc1cnc(C)nc1N1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000096166290 536019662 /nfs/dbraw/zinc/01/96/62/536019662.db2.gz YIWOXHNVBAHNBN-UHFFFAOYSA-N 2 0 367.541 3.168 50 0 FGAARP C[NH+](C)Cc1csc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072412495 536060358 /nfs/dbraw/zinc/06/03/58/536060358.db2.gz AAAONIGNSOHOHP-UHFFFAOYSA-N 2 0 371.554 3.235 50 0 FGAARP COC[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789808 705351424 /nfs/dbraw/zinc/35/14/24/705351424.db2.gz IUEJUYJIHSRWHT-AWEZNQCLSA-N 2 0 371.294 3.036 50 0 FGAARP CN(c1ccccc1)c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000216224358 222662036 /nfs/dbraw/zinc/66/20/36/222662036.db2.gz FGVPWIVUSGKVQS-UHFFFAOYSA-N 2 0 353.510 3.343 50 0 FGAARP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000062253046 212029291 /nfs/dbraw/zinc/02/92/91/212029291.db2.gz DEXQTYBONZNHKK-GJZGRUSLSA-N 2 0 355.320 3.428 50 0 FGAARP Cc1ccc(C2(C[N@H+](C)Cc3nc4cc(C)ccc4[nH]3)CC[NH2+]CC2)nc1 ZINC000067771687 221283206 /nfs/dbraw/zinc/28/32/06/221283206.db2.gz PGBXFUATMZHNCQ-UHFFFAOYSA-N 2 0 363.509 3.328 50 0 FGAARP O=C(NCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000108177413 494658364 /nfs/dbraw/zinc/65/83/64/494658364.db2.gz BZJOJWPXUHIIQF-FDFHNCONSA-N 2 0 369.553 3.183 50 0 FGAARP O=C(CCC[NH+]1CCCCC1)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000095387768 494972078 /nfs/dbraw/zinc/97/20/78/494972078.db2.gz BOHNSDNXTPXDFT-HXUWFJFHSA-N 2 0 361.505 3.345 50 0 FGAARP C[NH2+]CC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000095506927 494982789 /nfs/dbraw/zinc/98/27/89/494982789.db2.gz NPBRPPBOVPMJHJ-UHFFFAOYSA-N 2 0 371.569 3.240 50 0 FGAARP CCN1CCN(C(=O)CC2CC[NH+](Cc3c(C)cccc3C)CC2)CC1 ZINC000154991198 495796031 /nfs/dbraw/zinc/79/60/31/495796031.db2.gz SZSUDOHIHZZTOM-UHFFFAOYSA-N 2 0 357.542 3.070 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)CCC2CCOCC2)cc1CN1CC[NH+](C)CC1 ZINC000215874969 496984694 /nfs/dbraw/zinc/98/46/94/496984694.db2.gz OJKSVIONKSMNPL-UHFFFAOYSA-N 2 0 373.585 3.299 50 0 FGAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000223279234 497034758 /nfs/dbraw/zinc/03/47/58/497034758.db2.gz HSDFTJZXJWFTIX-UHFFFAOYSA-N 2 0 372.431 3.256 50 0 FGAARP O=C(NCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000230237295 497103102 /nfs/dbraw/zinc/10/31/02/497103102.db2.gz BZJOJWPXUHIIQF-BHDDXSALSA-N 2 0 369.553 3.183 50 0 FGAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565186 497256031 /nfs/dbraw/zinc/25/60/31/497256031.db2.gz QRWVCWFJLBDUPE-COPCDDAFSA-N 2 0 365.521 3.068 50 0 FGAARP CCOC1CC(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000253417446 497332459 /nfs/dbraw/zinc/33/24/59/497332459.db2.gz OPSJPESEZYMXSB-VTLFHKLASA-N 2 0 360.542 3.179 50 0 FGAARP CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(-c2c[nH+]ccc2N)c1 ZINC000426395963 571219358 /nfs/dbraw/zinc/21/93/58/571219358.db2.gz OITJWSSMQNWDLB-UHFFFAOYSA-N 2 0 366.509 3.499 50 0 FGAARP COC[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC12CC[NH2+]CC2 ZINC000169789813 705351810 /nfs/dbraw/zinc/35/18/10/705351810.db2.gz CNGXGZBRNAGKAC-OAHLLOKOSA-N 2 0 358.404 3.033 50 0 FGAARP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CN2 ZINC000069350114 210212530 /nfs/dbraw/zinc/21/25/30/210212530.db2.gz UQUXNEZUXZGTII-FQEVSTJZSA-N 2 0 353.514 3.009 50 0 FGAARP Cc1ccsc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420768 210140152 /nfs/dbraw/zinc/14/01/52/210140152.db2.gz NBPOGAJZSMAZHQ-SFHVURJKSA-N 2 0 357.523 3.044 50 0 FGAARP CC(C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015068999 211117493 /nfs/dbraw/zinc/11/74/93/211117493.db2.gz KKTNZYPHIGPMOT-GOSISDBHSA-N 2 0 363.521 3.084 50 0 FGAARP Cc1c2cc(Cl)ccc2[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](C)CCN2C ZINC000067909235 221303758 /nfs/dbraw/zinc/30/37/58/221303758.db2.gz VJOOTDWWRTZDPF-UHFFFAOYSA-N 2 0 360.933 3.342 50 0 FGAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071775829 221375593 /nfs/dbraw/zinc/37/55/93/221375593.db2.gz XFECSWFJXMWSOE-RBZQAINGSA-N 2 0 361.533 3.250 50 0 FGAARP CCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072429411 494172592 /nfs/dbraw/zinc/17/25/92/494172592.db2.gz HNJVSIQNMDMZAL-LJQANCHMSA-N 2 0 361.505 3.028 50 0 FGAARP C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000095446764 494974797 /nfs/dbraw/zinc/97/47/97/494974797.db2.gz OPFVGQYKHFCDBN-GOSISDBHSA-N 2 0 355.448 3.306 50 0 FGAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237512955 497248687 /nfs/dbraw/zinc/24/86/87/497248687.db2.gz ANFYHIWDKXFVFN-QIJUGHKUSA-N 2 0 365.521 3.446 50 0 FGAARP Cc1ccc2[nH]c(CCNc3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)nc2c1C ZINC000244659876 497366250 /nfs/dbraw/zinc/36/62/50/497366250.db2.gz HKICMYVCTQGUTM-GASCZTMLSA-N 2 0 350.470 3.137 50 0 FGAARP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000012586515 220008963 /nfs/dbraw/zinc/00/89/63/220008963.db2.gz CXZQQGBTZOELJH-JOCHJYFZSA-N 2 0 371.569 3.308 50 0 FGAARP O=C(C1CC1)N(CC[NH+]1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014965666 220136555 /nfs/dbraw/zinc/13/65/55/220136555.db2.gz AQKRTEXOSLZYGA-IBGZPJMESA-N 2 0 361.574 3.366 50 0 FGAARP Cc1ccsc1[C@@H](CNc1nc(CC[NH3+])nc2ccccc21)[NH+](C)C ZINC000065495306 221226687 /nfs/dbraw/zinc/22/66/87/221226687.db2.gz SVDKDBCTMCHTRP-MRXNPFEDSA-N 2 0 355.511 3.216 50 0 FGAARP c1cc(C[NH+]2CCCCC2)sc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000216176291 132271337 /nfs/dbraw/zinc/27/13/37/132271337.db2.gz QSQPOIYSHKFNOL-UHFFFAOYSA-N 2 0 356.539 3.451 50 0 FGAARP Cc1cccc(N2CC[NH+](Cc3cccc(OCCC[NH3+])c3)CC2)c1C ZINC000299770095 132298641 /nfs/dbraw/zinc/29/86/41/132298641.db2.gz QJBJWMNNIWTUAE-UHFFFAOYSA-N 2 0 353.510 3.353 50 0 FGAARP C[NH+]1CCC(CCC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000097446950 222181369 /nfs/dbraw/zinc/18/13/69/222181369.db2.gz QBZNFTYDNANWTK-HXUWFJFHSA-N 2 0 361.505 3.201 50 0 FGAARP CN1C[C@@]2(CCC[N@H+](Cc3ccc(C[NH+]4CCCC4)s3)CC2)OC1=O ZINC000097572219 222192422 /nfs/dbraw/zinc/19/24/22/222192422.db2.gz JGKKIQSWVVSNAC-IBGZPJMESA-N 2 0 363.527 3.151 50 0 FGAARP Cc1ccc2c(cc(C[NH+]3CCC([C@@H](C)[NH+]4CCOCC4)CC3)n2C)c1 ZINC000072409259 494166038 /nfs/dbraw/zinc/16/60/38/494166038.db2.gz HDEQJDFIIHELEG-GOSISDBHSA-N 2 0 355.526 3.419 50 0 FGAARP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)CCCn3cccn3)C2)cc1 ZINC000011933300 494196922 /nfs/dbraw/zinc/19/69/22/494196922.db2.gz FQOPSSLIQZYGNW-OAQYLSRUSA-N 2 0 370.541 3.168 50 0 FGAARP Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012431773 494231984 /nfs/dbraw/zinc/23/19/84/494231984.db2.gz QLRXRIJGYXFWAV-FQEVSTJZSA-N 2 0 357.542 3.196 50 0 FGAARP CC[C@@]1(CO)CCC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000091847147 494703206 /nfs/dbraw/zinc/70/32/06/494703206.db2.gz YJFPWLVFKLLVCS-HSZRJFAPSA-N 2 0 373.585 3.035 50 0 FGAARP Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H](C)[NH3+])C2CCCC2)CC1 ZINC000095531428 494988226 /nfs/dbraw/zinc/98/82/26/494988226.db2.gz WPWQZCGOWJMJPS-LJQANCHMSA-N 2 0 371.569 3.368 50 0 FGAARP Cc1cc(C)c(C[NH+]2CCC(F)(F)CC2)cc1CN1CC[NH+](C)CC1 ZINC000215572216 496982578 /nfs/dbraw/zinc/98/25/78/496982578.db2.gz SHNHDCGSADTAMB-UHFFFAOYSA-N 2 0 351.485 3.282 50 0 FGAARP [NH3+][C@H]1C[C@@H](c2nnc(C[NH2+]CC3(c4ccc(Cl)cc4)CC3)n2C2CC2)C1 ZINC000244748791 497370361 /nfs/dbraw/zinc/37/03/61/497370361.db2.gz OOKBZLLOJGLCND-AKAXFMLLSA-N 2 0 371.916 3.293 50 0 FGAARP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccs1 ZINC000048342421 570948349 /nfs/dbraw/zinc/94/83/49/570948349.db2.gz ICVQJVQMPLUUPD-KBPBESRZSA-N 2 0 366.556 3.014 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000012710837 220019151 /nfs/dbraw/zinc/01/91/51/220019151.db2.gz YNFOCYFDVUYNAY-NRFANRHFSA-N 2 0 364.505 3.165 50 0 FGAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3OCCO)CC2)o1 ZINC000015074106 220146261 /nfs/dbraw/zinc/14/62/61/220146261.db2.gz LVBUXCKNICPMBB-UHFFFAOYSA-N 2 0 372.509 3.303 50 0 FGAARP CC[NH+](CC)[C@H](CNc1nc(CC[NH3+])nc2ccccc21)c1ccco1 ZINC000065395839 221210644 /nfs/dbraw/zinc/21/06/44/221210644.db2.gz ILTJPWXSGSSNDQ-QGZVFWFLSA-N 2 0 353.470 3.219 50 0 FGAARP C[C@@H](c1ccc(-c2ccccc2CN2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000067847107 221294323 /nfs/dbraw/zinc/29/43/23/221294323.db2.gz XVFVOIJTNMJMQR-IBGZPJMESA-N 2 0 365.521 3.152 50 0 FGAARP c1ccc(N2CC[NH+](Cc3cccc(OC4CC[NH2+]CC4)c3)CC2)cc1 ZINC000299792477 132300161 /nfs/dbraw/zinc/30/01/61/132300161.db2.gz FVRAELNQAPRLLH-UHFFFAOYSA-N 2 0 351.494 3.140 50 0 FGAARP COc1ccc(C[NH+]2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000077406099 494076407 /nfs/dbraw/zinc/07/64/07/494076407.db2.gz GDIRJIUQAWRAJM-MRXNPFEDSA-N 2 0 365.949 3.197 50 0 FGAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3[nH]cnc3C)CC2)cc1 ZINC000011663213 494184916 /nfs/dbraw/zinc/18/49/16/494184916.db2.gz HNHPJSKCAHHPJG-UHFFFAOYSA-N 2 0 356.514 3.113 50 0 FGAARP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252549274 497311971 /nfs/dbraw/zinc/31/19/71/497311971.db2.gz RBGOAJACXDSWPR-FIKGOQFSSA-N 2 0 354.542 3.468 50 0 FGAARP CCn1ccnc1CN(C)C(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000244887817 497373557 /nfs/dbraw/zinc/37/35/57/497373557.db2.gz YPCFZBVTWBEMFE-LJQANCHMSA-N 2 0 358.461 3.228 50 0 FGAARP O=C(CC[NH+]1CCCCC1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299762684 223084691 /nfs/dbraw/zinc/08/46/91/223084691.db2.gz YFULYXBIMNVVOL-LJQANCHMSA-N 2 0 363.933 3.469 50 0 FGAARP C[N@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000058166230 221101425 /nfs/dbraw/zinc/10/14/25/221101425.db2.gz FJWHRMWLPGRTGI-OAQYLSRUSA-N 2 0 372.557 3.345 50 0 FGAARP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1F ZINC000067121843 221247597 /nfs/dbraw/zinc/24/75/97/221247597.db2.gz QYLJSZSKRYVMRM-HXUWFJFHSA-N 2 0 369.484 3.121 50 0 FGAARP c1sc(-c2cnccn2)nc1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067742246 221280227 /nfs/dbraw/zinc/28/02/27/221280227.db2.gz KXGVDZWNYUIWHB-UHFFFAOYSA-N 2 0 357.527 3.045 50 0 FGAARP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)c3cccc(OC)c3)ccn2)CC1 ZINC000095407535 132210827 /nfs/dbraw/zinc/21/08/27/132210827.db2.gz WHCMSNGQHQDGJS-KRWDZBQOSA-N 2 0 354.498 3.083 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040720806 494146318 /nfs/dbraw/zinc/14/63/18/494146318.db2.gz FGKHQZOHBIWTHZ-UHFFFAOYSA-N 2 0 366.864 3.120 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)[NH+]1CCOCC1 ZINC000072477299 494181108 /nfs/dbraw/zinc/18/11/08/494181108.db2.gz KEGVRFIVEWVZAW-HNNXBMFYSA-N 2 0 354.441 3.221 50 0 FGAARP COCC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 ZINC000020149128 494468648 /nfs/dbraw/zinc/46/86/48/494468648.db2.gz JONWKBKCFQSJOO-UHFFFAOYSA-N 2 0 356.514 3.142 50 0 FGAARP COc1ccc(C[N@@H+]2CCCC2(C)C)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095497462 494980507 /nfs/dbraw/zinc/98/05/07/494980507.db2.gz XLNOAZWZGYLZBA-SFHVURJKSA-N 2 0 364.530 3.150 50 0 FGAARP C[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[N@H+](C)C1CCCCC1 ZINC000223499952 497038578 /nfs/dbraw/zinc/03/85/78/497038578.db2.gz ROUYWYCXACLTGV-IBGZPJMESA-N 2 0 371.569 3.419 50 0 FGAARP Cc1cc(N2CCC[N@H+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)cc[nH+]1 ZINC000252482073 497301998 /nfs/dbraw/zinc/30/19/98/497301998.db2.gz CXKLUSLDZNSKQL-FQEVSTJZSA-N 2 0 350.466 3.095 50 0 FGAARP CNC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1Cc1ccccc1)[C@@H]23 ZINC000257185344 497385917 /nfs/dbraw/zinc/38/59/17/497385917.db2.gz JKWRBFBXDDDXPX-GNXKAVGDSA-N 2 0 369.553 3.278 50 0 FGAARP CCn1cc(C[NH+]2CCC(Cn3c(C)cnc3[C@H]3CCCO3)CC2)cn1 ZINC000257188498 497387139 /nfs/dbraw/zinc/38/71/39/497387139.db2.gz FRUJZEATQFCZKO-LJQANCHMSA-N 2 0 357.502 3.172 50 0 FGAARP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000011953990 695603641 /nfs/dbraw/zinc/60/36/41/695603641.db2.gz XFDPDXDWVPOESP-SFHVURJKSA-N 2 0 352.519 3.009 50 0 FGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(Br)c1 ZINC000002494785 219447316 /nfs/dbraw/zinc/44/73/16/219447316.db2.gz QIEREODBIOZWBT-UHFFFAOYSA-N 2 0 374.342 3.294 50 0 FGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2C)CC1 ZINC000012578004 220009316 /nfs/dbraw/zinc/00/93/16/220009316.db2.gz YEKWGWKERRTYOT-UHFFFAOYSA-N 2 0 370.541 3.124 50 0 FGAARP Cc1c[nH+]ccc1N1CC[NH+](C[C@@]2(c3cccc(F)c3)CCOC2)CC1 ZINC000096834907 132226009 /nfs/dbraw/zinc/22/60/09/132226009.db2.gz KCKJVCCMVBVNNO-NRFANRHFSA-N 2 0 355.457 3.009 50 0 FGAARP Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000107024742 222390517 /nfs/dbraw/zinc/39/05/17/222390517.db2.gz CMRDTBJYBSGZCZ-GOSISDBHSA-N 2 0 357.477 3.243 50 0 FGAARP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(C)(C)C ZINC000076016688 493809589 /nfs/dbraw/zinc/80/95/89/493809589.db2.gz HWKVOUTZFFVWKW-HOCLYGCPSA-N 2 0 354.564 3.016 50 0 FGAARP CCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072431467 494174156 /nfs/dbraw/zinc/17/41/56/494174156.db2.gz DWSLIUYTAFCRHA-GOSISDBHSA-N 2 0 363.933 3.153 50 0 FGAARP CN(C)C(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095383283 494970730 /nfs/dbraw/zinc/97/07/30/494970730.db2.gz SQPNRAVRMJUTGL-FQEVSTJZSA-N 2 0 369.553 3.199 50 0 FGAARP CC(C)[NH+]1CCC(N2CC[N@H+](CCCC3CCCC3)C[C@@H]2CCO)CC1 ZINC000095501917 494981156 /nfs/dbraw/zinc/98/11/56/494981156.db2.gz GXHMUJGRDYYDEE-QFIPXVFZSA-N 2 0 365.606 3.198 50 0 FGAARP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237528465 497250816 /nfs/dbraw/zinc/25/08/16/497250816.db2.gz QRWVCWFJLBDUPE-NYVOZVTQSA-N 2 0 365.521 3.068 50 0 FGAARP C[N@H+](CCCNC(=O)c1ccc(-c2c[nH+]ccc2N)cc1)C1CCCC1 ZINC000426690523 500307146 /nfs/dbraw/zinc/30/71/46/500307146.db2.gz FKDPGUPZZBKUKC-UHFFFAOYSA-N 2 0 352.482 3.155 50 0 FGAARP CC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012707894 220019914 /nfs/dbraw/zinc/01/99/14/220019914.db2.gz SLQFVQXXPMGUMM-FQEVSTJZSA-N 2 0 372.509 3.019 50 0 FGAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000014976815 220139048 /nfs/dbraw/zinc/13/90/48/220139048.db2.gz AQRHFEIHZBEDAF-FQEVSTJZSA-N 2 0 369.553 3.074 50 0 FGAARP C[NH+]1CCC(n2[nH]cc3nc(-c4cc(C[NH+]5CCCC5)cs4)nc2-3)CC1 ZINC000019758998 220294873 /nfs/dbraw/zinc/29/48/73/220294873.db2.gz GRBQEUXXRSJSBY-UHFFFAOYSA-N 2 0 370.526 3.350 50 0 FGAARP COc1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(C)o2)c(F)c1 ZINC000067714039 221275109 /nfs/dbraw/zinc/27/51/09/221275109.db2.gz OZKIEZBAKFYAQL-UHFFFAOYSA-N 2 0 359.445 3.373 50 0 FGAARP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209306 132276845 /nfs/dbraw/zinc/27/68/45/132276845.db2.gz XQQMZTSZVJXSAC-FPOVZHCZSA-N 2 0 359.558 3.057 50 0 FGAARP CC[NH+](CC)CCCC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000096007905 221989948 /nfs/dbraw/zinc/98/99/48/221989948.db2.gz HZFWJNVTLYUCPU-IBGZPJMESA-N 2 0 368.587 3.460 50 0 FGAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1csc(C(C)=O)c1)C[C@@H]2CO ZINC000097711681 222207478 /nfs/dbraw/zinc/20/74/78/222207478.db2.gz XURKZOSICWCJHY-GOSISDBHSA-N 2 0 364.555 3.257 50 0 FGAARP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000039550955 494122766 /nfs/dbraw/zinc/12/27/66/494122766.db2.gz OTDSYBCRCJSKGZ-HSZRJFAPSA-N 2 0 373.585 3.045 50 0 FGAARP Cc1ccc(CN(C(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)C2CCCC2)cc1 ZINC000072432812 494173616 /nfs/dbraw/zinc/17/36/16/494173616.db2.gz FNDIPJNNDSFPFX-OAQYLSRUSA-N 2 0 369.553 3.340 50 0 FGAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCCCCC2)ccc1OC ZINC000012442196 494233603 /nfs/dbraw/zinc/23/36/03/494233603.db2.gz MJEWKUVKTQENNF-IBGZPJMESA-N 2 0 364.530 3.153 50 0 FGAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000091933363 494727872 /nfs/dbraw/zinc/72/78/72/494727872.db2.gz IECISRBKOKRVCW-HXUWFJFHSA-N 2 0 357.542 3.056 50 0 FGAARP CC[NH+]1CCC(N(CCc2ccccn2)Cc2nc3ccccc3[nH]2)CC1 ZINC000215484486 496980719 /nfs/dbraw/zinc/98/07/19/496980719.db2.gz WXYSABOOMJTPHK-UHFFFAOYSA-N 2 0 363.509 3.487 50 0 FGAARP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225567017 497067484 /nfs/dbraw/zinc/06/74/84/497067484.db2.gz RBGOAJACXDSWPR-XGHQBKJUSA-N 2 0 354.542 3.468 50 0 FGAARP O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000244685598 497367511 /nfs/dbraw/zinc/36/75/11/497367511.db2.gz ITAUCINHYHPADY-UHFFFAOYSA-N 2 0 355.526 3.373 50 0 FGAARP C[NH+](C)[C@H]1CCCCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000082107777 522091860 /nfs/dbraw/zinc/09/18/60/522091860.db2.gz DRTSJXMWOMETER-NRFANRHFSA-N 2 0 357.542 3.231 50 0 FGAARP C[N@H+](CCCn1cccn1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012576352 220010058 /nfs/dbraw/zinc/01/00/58/220010058.db2.gz OCLGTPPJTOYHMT-FQEVSTJZSA-N 2 0 358.505 3.299 50 0 FGAARP Cc1ccsc1[C@H](CNc1nc(CC[NH3+])nc2ccccc21)[NH+](C)C ZINC000065495312 221227464 /nfs/dbraw/zinc/22/74/64/221227464.db2.gz SVDKDBCTMCHTRP-INIZCTEOSA-N 2 0 355.511 3.216 50 0 FGAARP C[NH+]1CCC(CCC(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000097446949 222182149 /nfs/dbraw/zinc/18/21/49/222182149.db2.gz QBZNFTYDNANWTK-FQEVSTJZSA-N 2 0 361.505 3.201 50 0 FGAARP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(C)o1)C[C@H]2CO ZINC000097713601 222206904 /nfs/dbraw/zinc/20/69/04/222206904.db2.gz DRGVUJGQUFENEP-SFHVURJKSA-N 2 0 366.571 3.238 50 0 FGAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000072154310 494137215 /nfs/dbraw/zinc/13/72/15/494137215.db2.gz JCVRISVLGNUOKM-OAQYLSRUSA-N 2 0 351.498 3.168 50 0 FGAARP c1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000022851502 494538884 /nfs/dbraw/zinc/53/88/84/494538884.db2.gz IAYDREDRMLOKFO-FQEVSTJZSA-N 2 0 373.589 3.352 50 0 FGAARP [NH3+]C1CCC([NH+]2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)CC1 ZINC000091663317 494636960 /nfs/dbraw/zinc/63/69/60/494636960.db2.gz WSHUSYIWWYEJSA-UHFFFAOYSA-N 2 0 369.553 3.204 50 0 FGAARP Cc1ccccc1Cn1cc(C[NH2+]CCC[NH2+]CCO)c2ccccc21 ZINC000248153062 496964653 /nfs/dbraw/zinc/96/46/53/496964653.db2.gz KUQAEQSLRDLEMT-UHFFFAOYSA-N 2 0 351.494 3.060 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)CCC[C@@H]2CCCO2)cc1CN1CC[NH+](C)CC1 ZINC000215892850 496984392 /nfs/dbraw/zinc/98/43/92/496984392.db2.gz LHQYRNCZDAVMFA-HSZRJFAPSA-N 2 0 373.585 3.442 50 0 FGAARP CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)[N@H+](CCc3ccccc3)C2)CC1 ZINC000257191356 497388483 /nfs/dbraw/zinc/38/84/83/497388483.db2.gz QCVNYXFBTZZYPG-LJQANCHMSA-N 2 0 354.498 3.470 50 0 FGAARP COCC[NH+]1CCC(C[N@H+](CCCC(F)(F)F)C[C@H]2CCCO2)CC1 ZINC000011954857 695603544 /nfs/dbraw/zinc/60/35/44/695603544.db2.gz HIVIISJQCUSJGB-QGZVFWFLSA-N 2 0 366.468 3.168 50 0 FGAARP Cc1nnc(SCC[NH2+]Cc2cc(C[NH+]3CCCC3)cs2)s1 ZINC000952968955 762537275 /nfs/dbraw/zinc/53/72/75/762537275.db2.gz QCZKKGNKHKNEJX-UHFFFAOYSA-N 2 0 354.570 3.386 50 0 FGAARP COc1ccc(C[NH2+]C(C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012597489 220012213 /nfs/dbraw/zinc/01/22/13/220012213.db2.gz YVNXDBKVJVEJEJ-FQEVSTJZSA-N 2 0 372.509 3.065 50 0 FGAARP O[C@H](COc1cccc(C[NH2+]C2CCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000012713186 220021069 /nfs/dbraw/zinc/02/10/69/220021069.db2.gz MYUKALUHLXZWNZ-QFIPXVFZSA-N 2 0 366.505 3.127 50 0 FGAARP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(C)cc1 ZINC000013733221 220091409 /nfs/dbraw/zinc/09/14/09/220091409.db2.gz VGBPGIWCZATIPG-UHFFFAOYSA-N 2 0 372.509 3.034 50 0 FGAARP Cc1ccc(C)c(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000014887518 220134808 /nfs/dbraw/zinc/13/48/08/220134808.db2.gz BTEOVKYKYJVLAX-HSZRJFAPSA-N 2 0 368.521 3.467 50 0 FGAARP CCC[NH+](CCC)C1CCN(c2nc(CC[NH3+])nc3ccccc32)CC1 ZINC000065492709 221225438 /nfs/dbraw/zinc/22/54/38/221225438.db2.gz GGRRACLMSCJURI-UHFFFAOYSA-N 2 0 355.530 3.222 50 0 FGAARP c1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)cc(OCCCC[NH+]2CCCCC2)c1 ZINC000077554276 494113492 /nfs/dbraw/zinc/11/34/92/494113492.db2.gz QZMJSVYALYEQGU-RBBKRZOGSA-N 2 0 357.542 3.125 50 0 FGAARP [NH3+]CCc1cccc(C[NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)c1 ZINC000072422536 494169533 /nfs/dbraw/zinc/16/95/33/494169533.db2.gz KNWKVVVZGHCKGF-QHCPKHFHSA-N 2 0 352.522 3.394 50 0 FGAARP C[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012020874 494200073 /nfs/dbraw/zinc/20/00/73/494200073.db2.gz SASBOEXJKJZWPL-UHFFFAOYSA-N 2 0 360.473 3.298 50 0 FGAARP CC[C@]1(CO)CCC[N@H+](Cc2cc(CN3CC[NH+](C)CC3)c(C)cc2C)C1 ZINC000091847145 494703338 /nfs/dbraw/zinc/70/33/38/494703338.db2.gz YJFPWLVFKLLVCS-QHCPKHFHSA-N 2 0 373.585 3.035 50 0 FGAARP CC[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)CC1 ZINC000095369905 494967031 /nfs/dbraw/zinc/96/70/31/494967031.db2.gz UMNPDRKAEDKFNS-HXUWFJFHSA-N 2 0 361.505 3.201 50 0 FGAARP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Cl)CC1 ZINC000215553576 496981758 /nfs/dbraw/zinc/98/17/58/496981758.db2.gz SXPYTFWRGPCPHF-GOSISDBHSA-N 2 0 353.913 3.471 50 0 FGAARP COc1cccc2c1CC[C@@H]([NH2+]CC1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000192445089 497117005 /nfs/dbraw/zinc/11/70/05/497117005.db2.gz WCNBLVOJGBCHEA-LJQANCHMSA-N 2 0 351.494 3.454 50 0 FGAARP CN(C)Cc1nnc([C@H]2C[C@@H](Nc3ccnc4ccc(Cl)cc43)C2)n1C ZINC000252532825 497310879 /nfs/dbraw/zinc/31/08/79/497310879.db2.gz FHAGHUUGIVTVRQ-XBXGTLAGSA-N 2 0 370.888 3.436 50 0 FGAARP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329174958 499063319 /nfs/dbraw/zinc/06/33/19/499063319.db2.gz LZLQBWRVNAOJIN-FQEVSTJZSA-N 2 0 366.509 3.246 50 0 FGAARP CC[N@H+](C)C1(CNC(=O)c2cccc(-c3cc(N)cc[nH+]3)c2)CCCC1 ZINC000426734044 500312725 /nfs/dbraw/zinc/31/27/25/500312725.db2.gz POLCYCHHYLAKDG-UHFFFAOYSA-N 2 0 352.482 3.325 50 0 FGAARP c1ccc(Cn2nc(C[NH2+]CC3CC[NH2+]CC3)c(-c3ccccc3)n2)cc1 ZINC000261491790 534493068 /nfs/dbraw/zinc/49/30/68/534493068.db2.gz JRFJXXYRCDQHMP-UHFFFAOYSA-N 2 0 361.493 3.083 50 0 FGAARP Cc1ccccc1CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000020203556 525116426 /nfs/dbraw/zinc/11/64/26/525116426.db2.gz HIJHUCLSBPVEHG-NRFANRHFSA-N 2 0 371.569 3.239 50 0 FGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]C2CCCCC2)cc1OC ZINC000012596068 220011175 /nfs/dbraw/zinc/01/11/75/220011175.db2.gz WUZGVCLSHUUNLL-IBGZPJMESA-N 2 0 364.530 3.199 50 0 FGAARP O[C@@H](COc1ccccc1C[NH2+]C1CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000012716297 220021014 /nfs/dbraw/zinc/02/10/14/220021014.db2.gz USQUJYMRZNMKMV-JOCHJYFZSA-N 2 0 366.505 3.127 50 0 FGAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000012920816 220042750 /nfs/dbraw/zinc/04/27/50/220042750.db2.gz XYPJIWGIILIGLT-SFHVURJKSA-N 2 0 363.505 3.350 50 0 FGAARP O=C(CC[NH+]1CCCCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000055211624 221061910 /nfs/dbraw/zinc/06/19/10/221061910.db2.gz ZCSGXVKDKRXYFN-UHFFFAOYSA-N 2 0 357.542 3.423 50 0 FGAARP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1F ZINC000067121842 221247978 /nfs/dbraw/zinc/24/79/78/221247978.db2.gz QYLJSZSKRYVMRM-FQEVSTJZSA-N 2 0 369.484 3.121 50 0 FGAARP CCN(C)C(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](CC)C2 ZINC000096139660 222043999 /nfs/dbraw/zinc/04/39/99/222043999.db2.gz HGHXNOAOMQMBJZ-FQEVSTJZSA-N 2 0 357.542 3.056 50 0 FGAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009553647 494127296 /nfs/dbraw/zinc/12/72/96/494127296.db2.gz RSOPNJUFPUXTGX-UHFFFAOYSA-N 2 0 365.949 3.256 50 0 FGAARP C[C@H](C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)[NH+]1CCOCC1 ZINC000072477300 494181655 /nfs/dbraw/zinc/18/16/55/494181655.db2.gz KEGVRFIVEWVZAW-OAHLLOKOSA-N 2 0 354.441 3.221 50 0 FGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072481233 494182608 /nfs/dbraw/zinc/18/26/08/494182608.db2.gz JTMQZHSNGMICMV-FQEVSTJZSA-N 2 0 357.542 3.116 50 0 FGAARP CN(C)C(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095383284 494970693 /nfs/dbraw/zinc/97/06/93/494970693.db2.gz SQPNRAVRMJUTGL-HXUWFJFHSA-N 2 0 369.553 3.199 50 0 FGAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095498770 494980382 /nfs/dbraw/zinc/98/03/82/494980382.db2.gz XOSRZMYRDGHORW-GOSISDBHSA-N 2 0 364.530 3.150 50 0 FGAARP CC[N@@H+](Cc1cncn1C(C)C)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095525258 494987390 /nfs/dbraw/zinc/98/73/90/494987390.db2.gz NRQABQOUIRFIMD-UHFFFAOYSA-N 2 0 361.578 3.092 50 0 FGAARP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000215342279 496978757 /nfs/dbraw/zinc/97/87/57/496978757.db2.gz NWXOJXXIBHPMQG-INIZCTEOSA-N 2 0 351.454 3.198 50 0 FGAARP Cc1cc(C)c(C[N@@H+](C)C2CCSCC2)cc1CN1CC[NH+](C)CC1 ZINC000215573568 496981644 /nfs/dbraw/zinc/98/16/44/496981644.db2.gz ZOPBKJJHSPFBTM-UHFFFAOYSA-N 2 0 361.599 3.378 50 0 FGAARP O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000223858533 497044343 /nfs/dbraw/zinc/04/43/43/497044343.db2.gz QRLOBGLKLCAEHS-OAQYLSRUSA-N 2 0 369.553 3.343 50 0 FGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccc(CO)o2)CC1 ZINC000012571281 494243673 /nfs/dbraw/zinc/24/36/73/494243673.db2.gz YJXZNRINSIPGHQ-UHFFFAOYSA-N 2 0 372.509 3.167 50 0 FGAARP CCn1cc(C[N@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000012718383 494251517 /nfs/dbraw/zinc/25/15/17/494251517.db2.gz SHMIPALKWNCYJD-UHFFFAOYSA-N 2 0 358.505 3.429 50 0 FGAARP OC[C@H]1C[N@H+](Cc2ccsc2)CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000097674062 495040992 /nfs/dbraw/zinc/04/09/92/495040992.db2.gz BWAADFQEMKOCTD-HXUWFJFHSA-N 2 0 371.550 3.240 50 0 FGAARP Cc1ccc([C@H](CNC(=O)N(C)CC[N@H+](C)C2CCCC2)[NH+](C)C)cc1 ZINC000534639234 504198313 /nfs/dbraw/zinc/19/83/13/504198313.db2.gz REQXSFWEBYKDAV-FQEVSTJZSA-N 2 0 360.546 3.114 50 0 FGAARP Cc1ccccc1CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000020203553 525112975 /nfs/dbraw/zinc/11/29/75/525112975.db2.gz HIJHUCLSBPVEHG-OAQYLSRUSA-N 2 0 371.569 3.239 50 0 FGAARP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269268330 525414559 /nfs/dbraw/zinc/41/45/59/525414559.db2.gz QRWVCWFJLBDUPE-STZQEDGTSA-N 2 0 365.521 3.068 50 0 FGAARP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000105421706 570872363 /nfs/dbraw/zinc/87/23/63/570872363.db2.gz NXGUFYHZJDDYIM-IAGOWNOFSA-N 2 0 370.541 3.419 50 0 FGAARP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000108428060 570906721 /nfs/dbraw/zinc/90/67/21/570906721.db2.gz WBVLHVKJXGQRPY-OAHLLOKOSA-N 2 0 360.420 3.458 50 0 FGAARP Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000670461999 571357073 /nfs/dbraw/zinc/35/70/73/571357073.db2.gz YSBPWRNAPPTSJN-LJQANCHMSA-N 2 0 374.554 3.023 50 0 FGAARP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000002651524 204048710 /nfs/dbraw/zinc/04/87/10/204048710.db2.gz FSOJSOFWGSSZTL-UYAOXDASSA-N 2 0 350.547 3.452 50 0 FGAARP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)CCc3ccccc3)ccn2)CC1 ZINC000095407534 132210723 /nfs/dbraw/zinc/21/07/23/132210723.db2.gz XSVMKZWQQUEEKH-LJQANCHMSA-N 2 0 352.526 3.334 50 0 FGAARP Cc1nc(C2CC[NH2+]CC2)cc(N2CCC([NH+]3CCCCCC3)CC2)n1 ZINC000067654247 136137257 /nfs/dbraw/zinc/13/72/57/136137257.db2.gz KNKGKKHMGBFSMF-UHFFFAOYSA-N 2 0 357.546 3.097 50 0 FGAARP c1c[nH]c(CN(CC[NH+]2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000022851504 494538392 /nfs/dbraw/zinc/53/83/92/494538392.db2.gz IAYDREDRMLOKFO-HXUWFJFHSA-N 2 0 373.589 3.352 50 0 FGAARP O[C@H](COc1ccc(C[NH+]2CCC(F)(F)CC2)cc1)C[NH+]1CCCCC1 ZINC000095498405 494980479 /nfs/dbraw/zinc/98/04/79/494980479.db2.gz BLWKSAVGVOZALE-SFHVURJKSA-N 2 0 368.468 3.143 50 0 FGAARP CCC[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095504578 494982447 /nfs/dbraw/zinc/98/24/47/494982447.db2.gz FEAFSMLRNWZGAT-OAQYLSRUSA-N 2 0 357.542 3.279 50 0 FGAARP OC[C@@H]1C[N@H+](Cc2ccsc2)CCC12CC[NH+](Cc1cccnc1)CC2 ZINC000097674063 495041059 /nfs/dbraw/zinc/04/10/59/495041059.db2.gz BWAADFQEMKOCTD-FQEVSTJZSA-N 2 0 371.550 3.240 50 0 FGAARP COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1C[NH+]1CCCC1 ZINC000097784705 495045468 /nfs/dbraw/zinc/04/54/68/495045468.db2.gz KEMHTXCFSRNJKB-UNMCSNQZSA-N 2 0 358.526 3.418 50 0 FGAARP CCC[C@@H]1CN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000082097773 520831673 /nfs/dbraw/zinc/83/16/73/520831673.db2.gz ZOXUXFUPTFSUGL-NHCUHLMSSA-N 2 0 357.542 3.055 50 0 FGAARP C[NH2+]Cc1cn(C2CC[NH+](Cc3ccc4cccc(Cl)c4n3)CC2)nn1 ZINC000019956276 522144072 /nfs/dbraw/zinc/14/40/72/522144072.db2.gz GZBMQTIMMNGZGI-UHFFFAOYSA-N 2 0 370.888 3.036 50 0 FGAARP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C)ccc2O)CC1 ZINC000105464670 571143318 /nfs/dbraw/zinc/14/33/18/571143318.db2.gz DXVHTFOCTLXSIE-MRXNPFEDSA-N 2 0 372.488 3.227 50 0 FGAARP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039748186 205047343 /nfs/dbraw/zinc/04/73/43/205047343.db2.gz UWEVVMJQXYZQES-WOJBJXKFSA-N 2 0 371.569 3.383 50 0 FGAARP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccccc1C ZINC000040720786 205076734 /nfs/dbraw/zinc/07/67/34/205076734.db2.gz ZOXJOXDSTWMOGM-UHFFFAOYSA-N 2 0 372.509 3.034 50 0 FGAARP O=C(C1CC1)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014965662 205281987 /nfs/dbraw/zinc/28/19/87/205281987.db2.gz AQKRTEXOSLZYGA-LJQANCHMSA-N 2 0 361.574 3.366 50 0 FGAARP CN(c1ccccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000108173820 206314923 /nfs/dbraw/zinc/31/49/23/206314923.db2.gz CDMQXQFNHHKSMT-RBBKRZOGSA-N 2 0 373.585 3.446 50 0 FGAARP c1ccc(N2CC[NH+](Cc3ccc(OC[C@H]4CCC[NH2+]C4)cc3)CC2)cc1 ZINC000299760880 132297896 /nfs/dbraw/zinc/29/78/96/132297896.db2.gz XYWNEMUETOSSTL-NRFANRHFSA-N 2 0 365.521 3.387 50 0 FGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cccs1)C2 ZINC000072169868 494143260 /nfs/dbraw/zinc/14/32/60/494143260.db2.gz BYCWLKOMLJIZKG-GGPKGHCWSA-N 2 0 364.555 3.088 50 0 FGAARP Cn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)cn1 ZINC000015077395 494337856 /nfs/dbraw/zinc/33/78/56/494337856.db2.gz BODYIAYNALLDIX-UHFFFAOYSA-N 2 0 360.933 3.460 50 0 FGAARP CN1CC2(CCC1=O)CC[NH+](Cc1cc(C[NH+]3CCCC3)cs1)CC2 ZINC000091644482 494636517 /nfs/dbraw/zinc/63/65/17/494636517.db2.gz SJYYWUKEOUWREO-UHFFFAOYSA-N 2 0 361.555 3.178 50 0 FGAARP O=C(C[NH+]1CCCCCCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091726187 494659268 /nfs/dbraw/zinc/65/92/68/494659268.db2.gz QFLOWSVSTSJWAE-FGZHOGPDSA-N 2 0 369.553 3.376 50 0 FGAARP COc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1C[NH+]1CCCC1 ZINC000091872386 494711443 /nfs/dbraw/zinc/71/14/43/494711443.db2.gz YADRTFQCAMABAJ-VGSWGCGISA-N 2 0 358.526 3.274 50 0 FGAARP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095391652 494972732 /nfs/dbraw/zinc/97/27/32/494972732.db2.gz HCONSQDTULWBJY-JOCHJYFZSA-N 2 0 365.521 3.487 50 0 FGAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+]2CCCC2(C)C)cc1OC ZINC000095504033 494982369 /nfs/dbraw/zinc/98/23/69/494982369.db2.gz CIWYZPGVRHORPS-SFHVURJKSA-N 2 0 364.530 3.151 50 0 FGAARP O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000097757803 495045768 /nfs/dbraw/zinc/04/57/68/495045768.db2.gz HRMMPIIGSSUQTL-SFHVURJKSA-N 2 0 361.555 3.321 50 0 FGAARP Nc1cc[nH+]cc1-c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426490543 500279523 /nfs/dbraw/zinc/27/95/23/500279523.db2.gz QVDUNHPWPCIIEJ-INIZCTEOSA-N 2 0 364.493 3.155 50 0 FGAARP CC(C)[NH+]1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(F)c2)CC1 ZINC000003025995 204073990 /nfs/dbraw/zinc/07/39/90/204073990.db2.gz BDGGFSNAEQUAPK-UHFFFAOYSA-N 2 0 366.550 3.259 50 0 FGAARP Cc1ccc(-n2ncc3c2ncnc3NCCCn2ccnc2)cc1Cl ZINC000008583082 204335404 /nfs/dbraw/zinc/33/54/04/204335404.db2.gz JTJJUCQAZREEBD-UHFFFAOYSA-N 2 0 367.844 3.476 50 0 FGAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000299738417 205115661 /nfs/dbraw/zinc/11/56/61/205115661.db2.gz ANFYHIWDKXFVFN-STZQEDGTSA-N 2 0 365.521 3.446 50 0 FGAARP COc1ccccc1CC[NH+]1CCC(C[N@H+](C)Cc2cccnc2)CC1 ZINC000067821754 205394302 /nfs/dbraw/zinc/39/43/02/205394302.db2.gz OJJKJYMFXKLALD-UHFFFAOYSA-N 2 0 353.510 3.477 50 0 FGAARP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OCC(F)(F)F ZINC000237463781 206105890 /nfs/dbraw/zinc/10/58/90/206105890.db2.gz JBRRVZIPUHNRBN-CQSZACIVSA-N 2 0 358.404 3.210 50 0 FGAARP CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000005866324 206240324 /nfs/dbraw/zinc/24/03/24/206240324.db2.gz CWSHNNRZSDARTC-JOCHJYFZSA-N 2 0 368.521 3.243 50 0 FGAARP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000058172682 206395017 /nfs/dbraw/zinc/39/50/17/206395017.db2.gz JREZLPZBOCDAOA-IBGZPJMESA-N 2 0 374.573 3.448 50 0 FGAARP CCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072429410 494172949 /nfs/dbraw/zinc/17/29/49/494172949.db2.gz HNJVSIQNMDMZAL-IBGZPJMESA-N 2 0 361.505 3.028 50 0 FGAARP CC(C)[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@@H]1CCO ZINC000019742141 494459178 /nfs/dbraw/zinc/45/91/78/494459178.db2.gz JUZGYFMJGXMTNF-SFHVURJKSA-N 2 0 365.587 3.011 50 0 FGAARP CN1CC2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091441445 494601794 /nfs/dbraw/zinc/60/17/94/494601794.db2.gz WSFXIJCDTTYWOF-FQEVSTJZSA-N 2 0 371.569 3.302 50 0 FGAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(N)nc3)CC2)C1 ZINC000096139292 495003481 /nfs/dbraw/zinc/00/34/81/495003481.db2.gz CHFWGUKYHFJRJH-FQEVSTJZSA-N 2 0 365.525 3.150 50 0 FGAARP CCn1ccc2ccc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+]4CCCCC4)C3)cc21 ZINC000091417075 523496262 /nfs/dbraw/zinc/49/62/62/523496262.db2.gz LDZLFTCDEYIERZ-NHCUHLMSSA-N 2 0 355.526 3.187 50 0 FGAARP Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+]4CCCC4)C3)cc2)o1 ZINC000091563483 525750644 /nfs/dbraw/zinc/75/06/44/525750644.db2.gz UPZVAGVIXUCHGS-NHCUHLMSSA-N 2 0 354.494 3.391 50 0 FGAARP CC[N@@H+](Cc1ccc(C(=O)Nc2nccs2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000065453171 205352794 /nfs/dbraw/zinc/35/27/94/205352794.db2.gz XZVFQYGMNFOPRC-INIZCTEOSA-N 2 0 358.511 3.169 50 0 FGAARP Cc1cc(C(F)(F)F)nc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067672952 205381116 /nfs/dbraw/zinc/38/11/16/205381116.db2.gz OZHUGGJFLZLEII-UHFFFAOYSA-N 2 0 356.436 3.248 50 0 FGAARP COCc1nc(NCC2([NH+]3CCCCC3)CCCC2)cc(C2CC([NH3+])C2)n1 ZINC000219867392 206391240 /nfs/dbraw/zinc/39/12/40/206391240.db2.gz RPERPTJUWPIMNU-UHFFFAOYSA-N 2 0 373.545 3.038 50 0 FGAARP O[C@H]1[C@H]([NH2+]CCCc2ccccc2F)c2ccccc2C12CC[NH2+]CC2 ZINC000072167385 494141263 /nfs/dbraw/zinc/14/12/63/494141263.db2.gz OZGFYBWWCLTJFV-RTWAWAEBSA-N 2 0 354.469 3.085 50 0 FGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072481232 494182845 /nfs/dbraw/zinc/18/28/45/494182845.db2.gz JTMQZHSNGMICMV-HXUWFJFHSA-N 2 0 357.542 3.116 50 0 FGAARP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1C ZINC000022852382 494539193 /nfs/dbraw/zinc/53/91/93/494539193.db2.gz GMNLSDYYCTYMIW-HSZRJFAPSA-N 2 0 373.585 3.045 50 0 FGAARP CC[NH+]1CCN(Cc2cc(C)cc(C[N@H+](C)Cc3ccccn3)c2C)CC1 ZINC000215241167 496979455 /nfs/dbraw/zinc/97/94/55/496979455.db2.gz GEUPWKOAKBIVGU-UHFFFAOYSA-N 2 0 366.553 3.468 50 0 FGAARP Cc1c[nH+]ccc1NCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1 ZINC000299770262 497918427 /nfs/dbraw/zinc/91/84/27/497918427.db2.gz OPOVPSFIZRNHTL-UHFFFAOYSA-N 2 0 356.470 3.057 50 0 FGAARP CCCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000020906151 520691872 /nfs/dbraw/zinc/69/18/72/520691872.db2.gz UDNGYFMMSDPYQK-NRFANRHFSA-N 2 0 356.510 3.448 50 0 FGAARP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000108428883 570906743 /nfs/dbraw/zinc/90/67/43/570906743.db2.gz YAUPPULZXGYSGM-SFHVURJKSA-N 2 0 373.497 3.310 50 0 FGAARP Clc1cccc(-n2ncc3c2ncnc3NCCCn2ccnc2)c1 ZINC000008583002 204334566 /nfs/dbraw/zinc/33/45/66/204334566.db2.gz HTQOSQXUZHHCHY-UHFFFAOYSA-N 2 0 353.817 3.168 50 0 FGAARP Cc1cc(C[N@H+](C)CCc2ccccn2)c(C)c(C[NH+]2CCN(C)CC2)c1 ZINC000215583817 206347954 /nfs/dbraw/zinc/34/79/54/206347954.db2.gz ZHOJNFNTHKXHRI-UHFFFAOYSA-N 2 0 366.553 3.120 50 0 FGAARP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2ccccc2Cn2cccn2)CC1 ZINC000077458096 494087265 /nfs/dbraw/zinc/08/72/65/494087265.db2.gz KHLQSQKQDCRJOZ-UHFFFAOYSA-N 2 0 361.493 3.347 50 0 FGAARP Cc1cc(N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)nc(N)[nH+]1 ZINC000072135150 494132288 /nfs/dbraw/zinc/13/22/88/494132288.db2.gz ATOHFBCMSYFOLP-QFIPXVFZSA-N 2 0 365.525 3.292 50 0 FGAARP O=C1Nc2ccccc2C12CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072156740 494136685 /nfs/dbraw/zinc/13/66/85/494136685.db2.gz OLWNNQJNFBJPHR-FXAWDEMLSA-N 2 0 353.510 3.237 50 0 FGAARP Cc1cc(N2CCC[N@H+](C[C@@]3(c4cccc(F)c4)CCOC3)CC2)cc[nH+]1 ZINC000020916114 494482569 /nfs/dbraw/zinc/48/25/69/494482569.db2.gz VUZAJPYDOOVIAX-QFIPXVFZSA-N 2 0 369.484 3.400 50 0 FGAARP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CC[NH+](CCCc2ccccc2)CC3)C1 ZINC000091707486 494655014 /nfs/dbraw/zinc/65/50/14/494655014.db2.gz XYHXUJOBDTYZSA-NRFANRHFSA-N 2 0 369.553 3.028 50 0 FGAARP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067934940 494699761 /nfs/dbraw/zinc/69/97/61/494699761.db2.gz GPWKYBYQTJRPRB-UHFFFAOYSA-N 2 0 372.340 3.214 50 0 FGAARP CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)cc1 ZINC000092020544 494758054 /nfs/dbraw/zinc/75/80/54/494758054.db2.gz AKDLLPBUQGCTHN-NRFANRHFSA-N 2 0 369.553 3.158 50 0 FGAARP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000095993836 494994273 /nfs/dbraw/zinc/99/42/73/494994273.db2.gz CTUXOIVAZYWRGS-UWJYYQICSA-N 2 0 369.509 3.255 50 0 FGAARP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337195 495032830 /nfs/dbraw/zinc/03/28/30/495032830.db2.gz SRFHETVTVBRRMM-HXUWFJFHSA-N 2 0 360.546 3.243 50 0 FGAARP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000108428057 570906609 /nfs/dbraw/zinc/90/66/09/570906609.db2.gz WBVLHVKJXGQRPY-HNNXBMFYSA-N 2 0 360.420 3.458 50 0 FGAARP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000057157319 205235543 /nfs/dbraw/zinc/23/55/43/205235543.db2.gz JMNNDIOSWJTGNN-UHFFFAOYSA-N 2 0 360.329 3.339 50 0 FGAARP C[C@H](c1ccc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)cc1)[NH+]1CCOCC1 ZINC000067803625 205391827 /nfs/dbraw/zinc/39/18/27/205391827.db2.gz OVGSVCIVIJYHHM-GOSISDBHSA-N 2 0 366.505 3.318 50 0 FGAARP O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000095360731 205732004 /nfs/dbraw/zinc/73/20/04/205732004.db2.gz ABAGFICHWILCPM-FQEVSTJZSA-N 2 0 355.526 3.244 50 0 FGAARP C[NH+](C)Cc1csc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000215590382 206347511 /nfs/dbraw/zinc/34/75/11/206347511.db2.gz YNJLESZYXXSXOR-UHFFFAOYSA-N 2 0 369.578 3.485 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)Cc2cccnc2)cc1CN1CC[NH+](C)CC1 ZINC000215547043 206347583 /nfs/dbraw/zinc/34/75/83/206347583.db2.gz HOXBDVJQQGDPHN-UHFFFAOYSA-N 2 0 352.526 3.078 50 0 FGAARP O=C1Nc2ccccc2NC12CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072164496 494140823 /nfs/dbraw/zinc/14/08/23/494140823.db2.gz JCUPKYQGSFDRGI-FXAWDEMLSA-N 2 0 368.525 3.150 50 0 FGAARP CSCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000011948668 494198279 /nfs/dbraw/zinc/19/82/79/494198279.db2.gz RHAPWTXUSWXLDV-HXUWFJFHSA-N 2 0 374.550 3.011 50 0 FGAARP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000012534385 494239661 /nfs/dbraw/zinc/23/96/61/494239661.db2.gz NVLNBDUAQYQYPW-UHFFFAOYSA-N 2 0 358.530 3.032 50 0 FGAARP CCCC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000020906153 494482610 /nfs/dbraw/zinc/48/26/10/494482610.db2.gz UDNGYFMMSDPYQK-OAQYLSRUSA-N 2 0 356.510 3.448 50 0 FGAARP CN1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)CC12CC[NH+](C)CC2 ZINC000067908047 494688957 /nfs/dbraw/zinc/68/89/57/494688957.db2.gz DVGDXJFCHIOXPF-UHFFFAOYSA-N 2 0 364.537 3.351 50 0 FGAARP C[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000075109372 494693025 /nfs/dbraw/zinc/69/30/25/494693025.db2.gz YEUOFQLSMOLHEM-UWJYYQICSA-N 2 0 355.526 3.345 50 0 FGAARP O[C@@H](COc1ccccc1C[NH+]1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000095512784 494984434 /nfs/dbraw/zinc/98/44/34/494984434.db2.gz BFIMWBIXSYVGAV-GOSISDBHSA-N 2 0 368.468 3.143 50 0 FGAARP CCN(C)C(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](CC)C2 ZINC000096139659 495003791 /nfs/dbraw/zinc/00/37/91/495003791.db2.gz HGHXNOAOMQMBJZ-HXUWFJFHSA-N 2 0 357.542 3.056 50 0 FGAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cnc(N)nc3)CC2)C1 ZINC000096139291 495003934 /nfs/dbraw/zinc/00/39/34/495003934.db2.gz CHFWGUKYHFJRJH-HXUWFJFHSA-N 2 0 365.525 3.150 50 0 FGAARP O=C(CC[NH+]1CCCCCCC1)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299778291 497921037 /nfs/dbraw/zinc/92/10/37/497921037.db2.gz OTWQYXIKMHWYNG-FQEVSTJZSA-N 2 0 373.541 3.129 50 0 FGAARP c1sc(CN2CC[NH+](C3CCSCC3)CC2)cc1C[NH+]1CCCC1 ZINC000216522569 526632052 /nfs/dbraw/zinc/63/20/52/526632052.db2.gz XPZWKADNTHWBRQ-UHFFFAOYSA-N 2 0 365.612 3.357 50 0 FGAARP CCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000105421705 570872451 /nfs/dbraw/zinc/87/24/51/570872451.db2.gz NXGUFYHZJDDYIM-CALCHBBNSA-N 2 0 370.541 3.419 50 0 FGAARP Cc1ccsc1[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)[NH+](C)C ZINC000952966299 762536880 /nfs/dbraw/zinc/53/68/80/762536880.db2.gz WARGTPCQQUFWRO-INIZCTEOSA-N 2 0 361.511 3.278 50 0 FGAARP Cc1cccc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)c1C ZINC000003276521 204087290 /nfs/dbraw/zinc/08/72/90/204087290.db2.gz KESHDGYPQUFTDW-UHFFFAOYSA-N 2 0 350.576 3.206 50 0 FGAARP CCCCN1C[C@@]2(CCC[N@H+](Cc3ccc(CC[NH3+])cc3)C2)CCC1=O ZINC000077285833 494048850 /nfs/dbraw/zinc/04/88/50/494048850.db2.gz SQAOATJCVOHZBA-QFIPXVFZSA-N 2 0 357.542 3.193 50 0 FGAARP c1ccc(CC[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000077538258 494108989 /nfs/dbraw/zinc/10/89/89/494108989.db2.gz LIMKCEUJFILGDL-QFIPXVFZSA-N 2 0 372.553 3.259 50 0 FGAARP CCC[C@@H](C)N1CC2(CC[NH+](Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072463623 494177238 /nfs/dbraw/zinc/17/72/38/494177238.db2.gz XJWWZVGDDVKPEM-QGZVFWFLSA-N 2 0 359.514 3.163 50 0 FGAARP C[C@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCOCC1 ZINC000072479883 494182240 /nfs/dbraw/zinc/18/22/40/494182240.db2.gz JBLLMZTWNKCBHX-OAHLLOKOSA-N 2 0 354.441 3.221 50 0 FGAARP Cn1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012300691 494220123 /nfs/dbraw/zinc/22/01/23/494220123.db2.gz LPHQTRGGABHAPK-NRFANRHFSA-N 2 0 360.546 3.056 50 0 FGAARP CSCC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015071229 494336695 /nfs/dbraw/zinc/33/66/95/494336695.db2.gz DHNFTGIDTFNUEM-LJQANCHMSA-N 2 0 366.571 3.143 50 0 FGAARP Cc1c(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)cnn1C ZINC000091365002 494587924 /nfs/dbraw/zinc/58/79/24/494587924.db2.gz CNMRQTVNBGKUNY-FQEVSTJZSA-N 2 0 352.526 3.430 50 0 FGAARP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095391653 494973168 /nfs/dbraw/zinc/97/31/68/494973168.db2.gz HCONSQDTULWBJY-QFIPXVFZSA-N 2 0 365.521 3.487 50 0 FGAARP C[NH+](C)Cc1cccc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000097775681 495045732 /nfs/dbraw/zinc/04/57/32/495045732.db2.gz LYPWWVXJPVUFFL-UHFFFAOYSA-N 2 0 365.521 3.358 50 0 FGAARP O=c1cc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)nc(C2CC2)[nH]1 ZINC000253534791 497336874 /nfs/dbraw/zinc/33/68/74/497336874.db2.gz DDMWYCPRNPBVIM-JCNLHEQBSA-N 2 0 356.514 3.302 50 0 FGAARP CN(c1ccccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000239722567 523653839 /nfs/dbraw/zinc/65/38/39/523653839.db2.gz CDMQXQFNHHKSMT-IFMALSPDSA-N 2 0 373.585 3.446 50 0 FGAARP C[N@@H+]1CCC[C@@H]1CCOc1cc(-c2cccnc2)cc2c1OCC[NH2+]C2 ZINC000299785416 523823655 /nfs/dbraw/zinc/82/36/55/523823655.db2.gz ZFVFJIUMXGZNDX-LJQANCHMSA-N 2 0 353.466 3.094 50 0 FGAARP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399236 571219961 /nfs/dbraw/zinc/21/99/61/571219961.db2.gz OLXWAGHMSLCSQN-JOCHJYFZSA-N 2 0 357.542 3.198 50 0 FGAARP N=c1n(CCOc2ccccc2)c2ccccc2n1CC[NH+]1CCCCC1 ZINC000000716198 209373765 /nfs/dbraw/zinc/37/37/65/209373765.db2.gz LXXHJSPSMPODIJ-UHFFFAOYSA-N 2 0 364.493 3.487 50 0 FGAARP Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCCCC2)cc1OCCC[NH3+] ZINC000299794683 206655378 /nfs/dbraw/zinc/65/53/78/206655378.db2.gz MLBPSIYOCJDFMC-UHFFFAOYSA-N 2 0 373.541 3.251 50 0 FGAARP COc1ccc(C[NH2+]Cc2ccccc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012442337 207379277 /nfs/dbraw/zinc/37/92/77/207379277.db2.gz KYQJFXJNWVOROW-HXUWFJFHSA-N 2 0 372.509 3.065 50 0 FGAARP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)CC(C)C ZINC000095459571 209053775 /nfs/dbraw/zinc/05/37/75/209053775.db2.gz JITJUZMWLTYJAX-IBGZPJMESA-N 2 0 351.579 3.467 50 0 FGAARP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)CCc3ccccc3)ccn2)CC1 ZINC000095407533 132210752 /nfs/dbraw/zinc/21/07/52/132210752.db2.gz XSVMKZWQQUEEKH-IBGZPJMESA-N 2 0 352.526 3.334 50 0 FGAARP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997182 132216665 /nfs/dbraw/zinc/21/66/65/132216665.db2.gz XQQMZTSZVJXSAC-PZJWPPBQSA-N 2 0 359.558 3.057 50 0 FGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccccc1C)C2 ZINC000072141765 494133416 /nfs/dbraw/zinc/13/34/16/494133416.db2.gz SIFSQOPXBORGNJ-ZLNRFVROSA-N 2 0 372.553 3.334 50 0 FGAARP Cc1[nH+]c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2ccccn12 ZINC000072172721 494142674 /nfs/dbraw/zinc/14/26/74/494142674.db2.gz VRPDZHYKNALYSX-UHFFFAOYSA-N 2 0 352.457 3.490 50 0 FGAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NC1(Cc3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072431329 494172374 /nfs/dbraw/zinc/17/23/74/494172374.db2.gz ZIKSFAPYAOLCFI-FQEVSTJZSA-N 2 0 369.553 3.074 50 0 FGAARP CCc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](CCOC)CC2)o1 ZINC000012760868 494255019 /nfs/dbraw/zinc/25/50/19/494255019.db2.gz XIMZKQHTNMRNBA-HXUWFJFHSA-N 2 0 364.530 3.181 50 0 FGAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000219855273 497012010 /nfs/dbraw/zinc/01/20/10/497012010.db2.gz CMPJIWIRWBXZTC-UHFFFAOYSA-N 2 0 367.493 3.096 50 0 FGAARP CCCC[C@@H]1C[N@H+](CCC(=O)NCc2nc(C)c[nH]2)Cc2ccccc2O1 ZINC000299759133 497913996 /nfs/dbraw/zinc/91/39/96/497913996.db2.gz OUIVIKLFNJHHNR-GOSISDBHSA-N 2 0 370.497 3.178 50 0 FGAARP CCCOc1c(C[NH2+]CC2CC[NH2+]CC2)cc(Br)cc1OC ZINC000020968346 520293079 /nfs/dbraw/zinc/29/30/79/520293079.db2.gz PNAAWUCYQYGOEZ-UHFFFAOYSA-N 2 0 371.319 3.336 50 0 FGAARP COC[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2 ZINC000169789805 705351495 /nfs/dbraw/zinc/35/14/95/705351495.db2.gz KZDVKBNLBSAQQB-OAHLLOKOSA-N 2 0 358.404 3.033 50 0 FGAARP Cc1ccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccccn4)CC3)[C@@H](CO)C2)o1 ZINC000097547518 209185931 /nfs/dbraw/zinc/18/59/31/209185931.db2.gz LHAGACCTTHVMLY-LJQANCHMSA-N 2 0 369.509 3.080 50 0 FGAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000097301439 209177169 /nfs/dbraw/zinc/17/71/69/209177169.db2.gz SPJITVNRHAMNTG-QFIPXVFZSA-N 2 0 365.521 3.358 50 0 FGAARP COCC[N@@H+](Cc1cnc(C)[nH]1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011820207 207322827 /nfs/dbraw/zinc/32/28/27/207322827.db2.gz GCEXKXIQBVTOQQ-UHFFFAOYSA-N 2 0 374.504 3.218 50 0 FGAARP CC1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000044913997 208322645 /nfs/dbraw/zinc/32/26/45/208322645.db2.gz IYOIVTPBEZMFOH-UHFFFAOYSA-N 2 0 357.542 3.137 50 0 FGAARP C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CC[NH+](C/C=C/c2ccccc2)CC3)C1 ZINC000091915097 209004865 /nfs/dbraw/zinc/00/48/65/209004865.db2.gz ALLAMSZKNSYPNC-WKOQKXSESA-N 2 0 367.537 3.109 50 0 FGAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2)c1 ZINC000072154309 494137417 /nfs/dbraw/zinc/13/74/17/494137417.db2.gz JCVRISVLGNUOKM-NRFANRHFSA-N 2 0 351.498 3.168 50 0 FGAARP [NH3+]CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@H]21 ZINC000072418476 494168031 /nfs/dbraw/zinc/16/80/31/494168031.db2.gz MLHFOKQVSSVZEX-FUHWJXTLSA-N 2 0 357.523 3.063 50 0 FGAARP C[NH+](C)CCN1CC2(CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)OC1=O ZINC000072453567 494175976 /nfs/dbraw/zinc/17/59/76/494175976.db2.gz HARNSOIKMSHTSB-UHFFFAOYSA-N 2 0 373.541 3.333 50 0 FGAARP CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014533798 494319766 /nfs/dbraw/zinc/31/97/66/494319766.db2.gz ATERLUVFIOKGHZ-FGZHOGPDSA-N 2 0 371.569 3.179 50 0 FGAARP CN1c2ccccc2[C@@]2(CCC[N@H+](Cc3cc(C[NH+](C)C)cs3)C2)C1=O ZINC000215960098 496984374 /nfs/dbraw/zinc/98/43/74/496984374.db2.gz YDTSRRSBDJAOCR-NRFANRHFSA-N 2 0 369.534 3.320 50 0 FGAARP O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000230498487 497104984 /nfs/dbraw/zinc/10/49/84/497104984.db2.gz QRLOBGLKLCAEHS-NRFANRHFSA-N 2 0 369.553 3.343 50 0 FGAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000584904477 507565167 /nfs/dbraw/zinc/56/51/67/507565167.db2.gz KVPQBAVSISPCMD-HTXNQAPBSA-N 2 0 357.542 3.260 50 0 FGAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](C[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269253259 525245247 /nfs/dbraw/zinc/24/52/47/525245247.db2.gz IIXNMFJKPWAWEP-BVYCBKJFSA-N 2 0 365.521 3.240 50 0 FGAARP C[C@H](C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474636 526217140 /nfs/dbraw/zinc/21/71/40/526217140.db2.gz QETQHUMIYRFDFT-HXUWFJFHSA-N 2 0 371.569 3.215 50 0 FGAARP CCc1n[nH]c(=O)c(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1CC ZINC000221829985 568462725 /nfs/dbraw/zinc/46/27/25/568462725.db2.gz NHPQDYZAXHZJHZ-WMZOPIPTSA-N 2 0 368.525 3.037 50 0 FGAARP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000048711030 570958558 /nfs/dbraw/zinc/95/85/58/570958558.db2.gz AJYIGUOITAJUFI-UHFFFAOYSA-N 2 0 369.557 3.111 50 0 FGAARP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)CCCn3cccn3)C2)cc1 ZINC000011933299 207329347 /nfs/dbraw/zinc/32/93/47/207329347.db2.gz FQOPSSLIQZYGNW-NRFANRHFSA-N 2 0 370.541 3.168 50 0 FGAARP Cc1ccc2c(cc(C[NH+]3CCC([C@H](C)[NH+]4CCOCC4)CC3)n2C)c1 ZINC000072409260 208850227 /nfs/dbraw/zinc/85/02/27/208850227.db2.gz HDEQJDFIIHELEG-SFHVURJKSA-N 2 0 355.526 3.419 50 0 FGAARP C[NH+](C)CCN1C[C@@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CCC1=O ZINC000092022807 209012394 /nfs/dbraw/zinc/01/23/94/209012394.db2.gz USUWCQMYQSFCGR-QFIPXVFZSA-N 2 0 369.509 3.199 50 0 FGAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2ccc(Cl)s2)CC1 ZINC000072166607 494141844 /nfs/dbraw/zinc/14/18/44/494141844.db2.gz GFUAXBLGWCHPDP-KGLIPLIRSA-N 2 0 355.935 3.125 50 0 FGAARP Cc1cc(C[NH2+]C[C@H](C)n2cncn2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000055197052 494312908 /nfs/dbraw/zinc/31/29/08/494312908.db2.gz JVASELVVVIEWGI-SFHVURJKSA-N 2 0 355.530 3.478 50 0 FGAARP Cc1ccc(C)c(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c1 ZINC000014887521 494327822 /nfs/dbraw/zinc/32/78/22/494327822.db2.gz BTEOVKYKYJVLAX-QHCPKHFHSA-N 2 0 368.521 3.467 50 0 FGAARP CN1CC2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C[C@H](c2ccccc2)C1=O ZINC000091441444 494601637 /nfs/dbraw/zinc/60/16/37/494601637.db2.gz WSFXIJCDTTYWOF-HXUWFJFHSA-N 2 0 371.569 3.302 50 0 FGAARP C[NH+]1CCC2(CC1)CCCN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CC2 ZINC000067789368 494648310 /nfs/dbraw/zinc/64/83/10/494648310.db2.gz DDWOCUXTYJUTJO-UHFFFAOYSA-N 2 0 359.514 3.214 50 0 FGAARP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000225566948 497067284 /nfs/dbraw/zinc/06/72/84/497067284.db2.gz RBGOAJACXDSWPR-CSODHUTKSA-N 2 0 354.542 3.468 50 0 FGAARP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000584889094 507556891 /nfs/dbraw/zinc/55/68/91/507556891.db2.gz MXFKVFUDXOLMBI-OAQYLSRUSA-N 2 0 372.557 3.339 50 0 FGAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1csc(C(C)=O)c1)C[C@H]2CO ZINC000097711682 209193154 /nfs/dbraw/zinc/19/31/54/209193154.db2.gz XURKZOSICWCJHY-SFHVURJKSA-N 2 0 364.555 3.257 50 0 FGAARP CC[N@H+](C)Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000039541477 208210753 /nfs/dbraw/zinc/21/07/53/208210753.db2.gz ULQNBBNTSGDNDV-LJQANCHMSA-N 2 0 364.530 3.153 50 0 FGAARP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000039748185 208213955 /nfs/dbraw/zinc/21/39/55/208213955.db2.gz UWEVVMJQXYZQES-PMACEKPBSA-N 2 0 371.569 3.383 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040720808 208263888 /nfs/dbraw/zinc/26/38/88/208263888.db2.gz FTYZWPVKRVBWNY-UHFFFAOYSA-N 2 0 366.864 3.120 50 0 FGAARP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209231 132276649 /nfs/dbraw/zinc/27/66/49/132276649.db2.gz XQQMZTSZVJXSAC-CTNGQTDRSA-N 2 0 359.558 3.057 50 0 FGAARP Cc1c2ccccc2sc1C[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000065409337 136136364 /nfs/dbraw/zinc/13/63/64/136136364.db2.gz PTKYFNRDCWGNNZ-UHFFFAOYSA-N 2 0 353.495 3.213 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000002734981 493817495 /nfs/dbraw/zinc/81/74/95/493817495.db2.gz DMDAXVZIVOSGBM-NRFANRHFSA-N 2 0 369.553 3.158 50 0 FGAARP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000007354357 494016992 /nfs/dbraw/zinc/01/69/92/494016992.db2.gz PQUOQFUHPDMOCP-UHFFFAOYSA-N 2 0 358.530 3.033 50 0 FGAARP O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077341753 494061824 /nfs/dbraw/zinc/06/18/24/494061824.db2.gz SCNYYUVZLFQXKB-FQEVSTJZSA-N 2 0 369.553 3.319 50 0 FGAARP CCC[C@H](C)N1CC2(CC[NH+](Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072463624 494177656 /nfs/dbraw/zinc/17/76/56/494177656.db2.gz XJWWZVGDDVKPEM-KRWDZBQOSA-N 2 0 359.514 3.163 50 0 FGAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)NC3CC3)CC2)C1 ZINC000091663669 494638662 /nfs/dbraw/zinc/63/86/62/494638662.db2.gz NHBKAHKWJNZLRE-FQEVSTJZSA-N 2 0 369.553 3.247 50 0 FGAARP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000108177420 494658834 /nfs/dbraw/zinc/65/88/34/494658834.db2.gz BZJOJWPXUHIIQF-BHIFYINESA-N 2 0 369.553 3.183 50 0 FGAARP COc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1C[NH+]1CCCC1 ZINC000215322514 496978357 /nfs/dbraw/zinc/97/83/57/496978357.db2.gz BEQMNIQFZVDNPR-UHFFFAOYSA-N 2 0 368.525 3.400 50 0 FGAARP CCCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)o1 ZINC000091445183 521396876 /nfs/dbraw/zinc/39/68/76/521396876.db2.gz XHQHUPIIIDWNOW-GOSISDBHSA-N 2 0 373.541 3.141 50 0 FGAARP CN(CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998067 521748711 /nfs/dbraw/zinc/74/87/11/521748711.db2.gz AWRCQVUQGVZQIS-SFHVURJKSA-N 2 0 358.555 3.268 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474635 524337590 /nfs/dbraw/zinc/33/75/90/524337590.db2.gz QETQHUMIYRFDFT-FQEVSTJZSA-N 2 0 371.569 3.215 50 0 FGAARP CC[NH+]1CCN(CCOc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000216072082 568104001 /nfs/dbraw/zinc/10/40/01/568104001.db2.gz MMRRXWLWXDCJEZ-UHFFFAOYSA-N 2 0 359.558 3.325 50 0 FGAARP c1sc(CN2CC[NH+](C3CCOCC3)CC2)cc1C[NH+]1CCCCC1 ZINC000097436996 209181052 /nfs/dbraw/zinc/18/10/52/209181052.db2.gz JYRVHHUAIZMRTQ-UHFFFAOYSA-N 2 0 363.571 3.031 50 0 FGAARP CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000011948660 207331519 /nfs/dbraw/zinc/33/15/19/207331519.db2.gz RHAPWTXUSWXLDV-FQEVSTJZSA-N 2 0 374.550 3.011 50 0 FGAARP C[NH+](C)CCC[NH+]1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000095510309 209069566 /nfs/dbraw/zinc/06/95/66/209069566.db2.gz QIXLDJDFRLDRNV-UHFFFAOYSA-N 2 0 363.933 3.106 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000002734979 493817451 /nfs/dbraw/zinc/81/74/51/493817451.db2.gz DMDAXVZIVOSGBM-OAQYLSRUSA-N 2 0 369.553 3.158 50 0 FGAARP c1ccc(CNc2ncc(C[NH+]3CCC4(CC[NH2+]CC4)CC3)cn2)cc1 ZINC000072170049 494143413 /nfs/dbraw/zinc/14/34/13/494143413.db2.gz OHBLEAOKNQNXFV-UHFFFAOYSA-N 2 0 351.498 3.054 50 0 FGAARP Cc1cc(C[N@H+]2CCCC[C@H]2C)c(C)c(C[NH+]2CCC(=O)N(C)CC2)c1 ZINC000215613744 496982307 /nfs/dbraw/zinc/98/23/07/496982307.db2.gz QDWAFXSNQBAUEN-GOSISDBHSA-N 2 0 357.542 3.342 50 0 FGAARP CCn1cc(C[NH+]2CCC(Cn3c(C)cnc3[C@@H]3CCCO3)CC2)cn1 ZINC000257188497 497386611 /nfs/dbraw/zinc/38/66/11/497386611.db2.gz FRUJZEATQFCZKO-IBGZPJMESA-N 2 0 357.502 3.172 50 0 FGAARP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccco1 ZINC000245237339 520861044 /nfs/dbraw/zinc/86/10/44/520861044.db2.gz JZYGICUQJYIOCJ-VQTJNVASSA-N 2 0 369.509 3.398 50 0 FGAARP Cc1cc(N2CCC[N@@H+](CCC(=O)N[C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000244763939 525066203 /nfs/dbraw/zinc/06/62/03/525066203.db2.gz OYDNQXCOZYAGNN-LJQANCHMSA-N 2 0 366.509 3.170 50 0 FGAARP CCCC[N@@H+]1CCn2nc(C[NH2+][C@H]3CCc4ccc(OC)cc4C3)cc2C1 ZINC000426383415 571217848 /nfs/dbraw/zinc/21/78/48/571217848.db2.gz WYVJZYBWPXCELT-IBGZPJMESA-N 2 0 368.525 3.155 50 0 FGAARP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097495542 209182951 /nfs/dbraw/zinc/18/29/51/209182951.db2.gz NECDGRLYELZZGP-IBGZPJMESA-N 2 0 367.493 3.270 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)[NH+]1CCOCC1 ZINC000072479882 208874913 /nfs/dbraw/zinc/87/49/13/208874913.db2.gz JBLLMZTWNKCBHX-HNNXBMFYSA-N 2 0 354.441 3.221 50 0 FGAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000091858303 209000479 /nfs/dbraw/zinc/00/04/79/209000479.db2.gz WFFYXZHKBIWIMV-OAQYLSRUSA-N 2 0 369.553 3.200 50 0 FGAARP c1ccc2c[n+](CCOCCOCC[n+]3ccc4ccccc4c3)ccc2c1 ZINC000006244270 493956155 /nfs/dbraw/zinc/95/61/55/493956155.db2.gz YUERVVNQQZCTAB-UHFFFAOYSA-N 2 0 374.484 3.301 50 0 FGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440142 494092977 /nfs/dbraw/zinc/09/29/77/494092977.db2.gz NATMBGZQGDWRCD-HXUWFJFHSA-N 2 0 357.542 3.230 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2F)C[C@H]2CCCO2)CC1 ZINC000015064150 494336802 /nfs/dbraw/zinc/33/68/02/494336802.db2.gz FSULDBKGJLDYSX-HXUWFJFHSA-N 2 0 364.505 3.165 50 0 FGAARP C[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000075109370 494692990 /nfs/dbraw/zinc/69/29/90/494692990.db2.gz YEUOFQLSMOLHEM-UTKZUKDTSA-N 2 0 355.526 3.345 50 0 FGAARP C[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[N@H+](C)C1CCCCC1 ZINC000223500011 497038917 /nfs/dbraw/zinc/03/89/17/497038917.db2.gz ROUYWYCXACLTGV-LJQANCHMSA-N 2 0 371.569 3.419 50 0 FGAARP O=C(CC[NH+]1CCCCC1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299762682 497915739 /nfs/dbraw/zinc/91/57/39/497915739.db2.gz YFULYXBIMNVVOL-IBGZPJMESA-N 2 0 363.933 3.469 50 0 FGAARP O=C(CC[NH+]1CCCCCCC1)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299778303 497920395 /nfs/dbraw/zinc/92/03/95/497920395.db2.gz OTWQYXIKMHWYNG-HXUWFJFHSA-N 2 0 373.541 3.129 50 0 FGAARP CCC[N@@H+]1CCCn2nc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2C1 ZINC000082108887 519855553 /nfs/dbraw/zinc/85/55/53/519855553.db2.gz KROQQRAYXNBXEM-UHFFFAOYSA-N 2 0 367.541 3.257 50 0 FGAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)NC3CC3)CC2)C1 ZINC000091663668 521730238 /nfs/dbraw/zinc/73/02/38/521730238.db2.gz NHBKAHKWJNZLRE-HXUWFJFHSA-N 2 0 369.553 3.247 50 0 FGAARP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)ccc1F ZINC000108421084 570906652 /nfs/dbraw/zinc/90/66/52/570906652.db2.gz IRQUDIFYWXHHFJ-HXUWFJFHSA-N 2 0 369.484 3.121 50 0 FGAARP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000108394263 570906660 /nfs/dbraw/zinc/90/66/60/570906660.db2.gz OIIODFGGYXZRNI-IRLDBZIGSA-N 2 0 369.553 3.231 50 0 FGAARP O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCCC3)cs2)C1 ZINC000097757804 209195470 /nfs/dbraw/zinc/19/54/70/209195470.db2.gz HRMMPIIGSSUQTL-GOSISDBHSA-N 2 0 361.555 3.321 50 0 FGAARP Cc1ccc(C[N@@H+]2CCC3(CC[NH+](Cc4ccccn4)CC3)[C@H](CO)C2)o1 ZINC000097547516 209185329 /nfs/dbraw/zinc/18/53/29/209185329.db2.gz LHAGACCTTHVMLY-IBGZPJMESA-N 2 0 369.509 3.080 50 0 FGAARP [NH3+]Cc1cccc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000096180661 209132338 /nfs/dbraw/zinc/13/23/38/209132338.db2.gz JRGAMRXJVPMAGY-UHFFFAOYSA-N 2 0 366.509 3.318 50 0 FGAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004552802 207028562 /nfs/dbraw/zinc/02/85/62/207028562.db2.gz XWEXFWHTFUMJQL-UHFFFAOYSA-N 2 0 365.949 3.256 50 0 FGAARP CCc1cc(N2CCC([NH2+][C@H](CC)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000095529199 132215124 /nfs/dbraw/zinc/21/51/24/132215124.db2.gz DOTFTQZKUCWSJM-LJQANCHMSA-N 2 0 368.529 3.210 50 0 FGAARP CCC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095531013 209078580 /nfs/dbraw/zinc/07/85/80/209078580.db2.gz PMRNDWFQRUIPTJ-LJQANCHMSA-N 2 0 364.530 3.153 50 0 FGAARP CSCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015071227 494336912 /nfs/dbraw/zinc/33/69/12/494336912.db2.gz DHNFTGIDTFNUEM-IBGZPJMESA-N 2 0 366.571 3.143 50 0 FGAARP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000067452920 494544155 /nfs/dbraw/zinc/54/41/55/494544155.db2.gz DEXQTYBONZNHKK-HUUCEWRRSA-N 2 0 355.320 3.428 50 0 FGAARP CC(C)([NH3+])c1cn(CC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nn1 ZINC000023478396 494568127 /nfs/dbraw/zinc/56/81/27/494568127.db2.gz QANRTWDVDTZVLR-ROUUACIJSA-N 2 0 357.546 3.176 50 0 FGAARP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)N3CCCC3)CC2)C1 ZINC000092107665 494794012 /nfs/dbraw/zinc/79/40/12/494794012.db2.gz QVBMZYRGXQTUAG-OAQYLSRUSA-N 2 0 369.553 3.200 50 0 FGAARP CN(C(=O)CC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC[NH+](C)CC1 ZINC000011812815 695602920 /nfs/dbraw/zinc/60/29/20/695602920.db2.gz RBEOBMHELDPCAK-QGZVFWFLSA-N 2 0 363.571 3.293 50 0 FGAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782634 705351564 /nfs/dbraw/zinc/35/15/64/705351564.db2.gz VXQGKDSKIUOSTQ-MRXNPFEDSA-N 2 0 367.331 3.239 50 0 FGAARP Cc1ccsc1[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)[NH+](C)C ZINC000952966301 762537217 /nfs/dbraw/zinc/53/72/17/762537217.db2.gz WARGTPCQQUFWRO-MRXNPFEDSA-N 2 0 361.511 3.278 50 0 FGAARP NC(=O)C(CC[NH+]1CCCCC1)(CC[NH+]1CCCCC1)c1ccccc1 ZINC000002033112 206900723 /nfs/dbraw/zinc/90/07/23/206900723.db2.gz TXSYVXMEIWQHCF-UHFFFAOYSA-N 2 0 357.542 3.162 50 0 FGAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Br)c1OCC ZINC000010434685 207300233 /nfs/dbraw/zinc/30/02/33/207300233.db2.gz XHNRSMOUXTTZFL-UHFFFAOYSA-N 2 0 371.319 3.336 50 0 FGAARP CC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)CC1 ZINC000012458005 207380978 /nfs/dbraw/zinc/38/09/78/207380978.db2.gz KFCFWFKIEXEKOZ-QFIPXVFZSA-N 2 0 361.574 3.366 50 0 FGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCCCCC2)ccc1OC ZINC000012442194 207378780 /nfs/dbraw/zinc/37/87/80/207378780.db2.gz MJEWKUVKTQENNF-LJQANCHMSA-N 2 0 364.530 3.153 50 0 FGAARP Cc1cc(N2CCC[N@H+](C[C@]3(c4cccc(F)c4)CCOC3)CC2)cc[nH+]1 ZINC000039420807 208210826 /nfs/dbraw/zinc/21/08/26/208210826.db2.gz VUZAJPYDOOVIAX-JOCHJYFZSA-N 2 0 369.484 3.400 50 0 FGAARP c1sc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1C[NH+]1CCCCC1 ZINC000039508881 208211888 /nfs/dbraw/zinc/21/18/88/208211888.db2.gz NIFXMKVRRKWJNG-LJQANCHMSA-N 2 0 363.571 3.031 50 0 FGAARP Cc1[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c2ccccn12 ZINC000092046514 209014492 /nfs/dbraw/zinc/01/44/92/209014492.db2.gz JSDUIGQYFPKWAF-AZUAARDMSA-N 2 0 361.493 3.134 50 0 FGAARP Cc1cc(N2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)cc(C)[nH+]1 ZINC000072431159 136147057 /nfs/dbraw/zinc/14/70/57/136147057.db2.gz KPMARUZDHQYXMN-UHFFFAOYSA-N 2 0 361.493 3.265 50 0 FGAARP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428557 494090716 /nfs/dbraw/zinc/09/07/16/494090716.db2.gz QIPWTOYXVHYLRG-GGAORHGYSA-N 2 0 368.521 3.293 50 0 FGAARP [NH3+]Cc1cn(C2CC[NH+](Cc3cccn3-c3cccc(Cl)c3)CC2)nn1 ZINC000023430287 494566086 /nfs/dbraw/zinc/56/60/86/494566086.db2.gz OZQIUKIVORRQDK-UHFFFAOYSA-N 2 0 370.888 3.018 50 0 FGAARP CC(C)[N@@H+]1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)C[C@H]1CCO ZINC000104626095 495294499 /nfs/dbraw/zinc/29/44/99/495294499.db2.gz JUZGYFMJGXMTNF-GOSISDBHSA-N 2 0 365.587 3.011 50 0 FGAARP C[NH+](C)CCOC1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1 ZINC000216262908 496987892 /nfs/dbraw/zinc/98/78/92/496987892.db2.gz IVXIXTKWFWPTKT-UHFFFAOYSA-N 2 0 374.916 3.340 50 0 FGAARP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299771977 497918080 /nfs/dbraw/zinc/91/80/80/497918080.db2.gz YPJBHFCNQYJAIH-TYPHKJRUSA-N 2 0 364.493 3.144 50 0 FGAARP CCCC[N@@H+]1CCn2nc(C[NH2+][C@@H]3CCc4ccc(OC)cc4C3)cc2C1 ZINC000426383416 571217900 /nfs/dbraw/zinc/21/79/00/571217900.db2.gz WYVJZYBWPXCELT-LJQANCHMSA-N 2 0 368.525 3.155 50 0 FGAARP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000011953994 695603600 /nfs/dbraw/zinc/60/36/00/695603600.db2.gz XFDPDXDWVPOESP-GOSISDBHSA-N 2 0 352.519 3.009 50 0 FGAARP C[NH+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299776335 210021176 /nfs/dbraw/zinc/02/11/76/210021176.db2.gz ATUOOOXAVLQQJO-UHFFFAOYSA-N 2 0 365.521 3.244 50 0 FGAARP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(OCCO)cc3)CC2)o1 ZINC000015071216 211118318 /nfs/dbraw/zinc/11/83/18/211118318.db2.gz KMURFUSZVCAWBO-UHFFFAOYSA-N 2 0 372.509 3.303 50 0 FGAARP CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014749201 211100861 /nfs/dbraw/zinc/10/08/61/211100861.db2.gz BRWOOUHDONSREN-NHCUHLMSSA-N 2 0 357.542 3.137 50 0 FGAARP Cc1nc2c(c(NC[C@@H](c3ccccc3)[NH+]3CCCCC3)n1)CC[NH2+]C2 ZINC000067895554 221302427 /nfs/dbraw/zinc/30/24/27/221302427.db2.gz HKMFUNWJAVMWKT-FQEVSTJZSA-N 2 0 351.498 3.070 50 0 FGAARP CC(C)n1cc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)c2ccccc21 ZINC000067946977 221307945 /nfs/dbraw/zinc/30/79/45/221307945.db2.gz LDXZJGMHOFICQQ-UHFFFAOYSA-N 2 0 354.542 3.434 50 0 FGAARP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000097010529 222151286 /nfs/dbraw/zinc/15/12/86/222151286.db2.gz KNBZSAKAODVDIO-UHFFFAOYSA-N 2 0 354.498 3.311 50 0 FGAARP Cc1cc(-c2nn(C)c(Cl)c2C[NH+]2CCC([C@@H](C)[NH+](C)C)CC2)no1 ZINC000077286742 494048633 /nfs/dbraw/zinc/04/86/33/494048633.db2.gz UPAVNJDBENIQKJ-CYBMUJFWSA-N 2 0 365.909 3.199 50 0 FGAARP Cc1ccc(Cn2cc(C[NH2+]CCC[NH2+]CCO)c3ccccc32)cc1 ZINC000248067562 496951687 /nfs/dbraw/zinc/95/16/87/496951687.db2.gz FLCVFAXCPOYQFN-UHFFFAOYSA-N 2 0 351.494 3.060 50 0 FGAARP O=C(c1csc(Nc2cc[nH+]cc2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000211070759 496976307 /nfs/dbraw/zinc/97/63/07/496976307.db2.gz TUIQYZXJMQRODJ-UHFFFAOYSA-N 2 0 371.510 3.372 50 0 FGAARP CC1CC[NH+](CCC[C@H]([NH2+]CCn2ccnn2)c2ccc(F)cc2)CC1 ZINC000225411560 497061679 /nfs/dbraw/zinc/06/16/79/497061679.db2.gz ULCNYDKRTMKELB-FQEVSTJZSA-N 2 0 359.493 3.260 50 0 FGAARP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000225406392 497061856 /nfs/dbraw/zinc/06/18/56/497061856.db2.gz GWEYFTXLFCKVAE-LPHOPBHVSA-N 2 0 365.562 3.486 50 0 FGAARP Cc1ccsc1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426551310 500288143 /nfs/dbraw/zinc/28/81/43/500288143.db2.gz OHWPGGCJZIVDQA-KRWDZBQOSA-N 2 0 366.575 3.004 50 0 FGAARP CC[C@H](CNC(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+](C)C ZINC000534588671 504185618 /nfs/dbraw/zinc/18/56/18/504185618.db2.gz XWOHMDYMXNGXAO-QGZVFWFLSA-N 2 0 362.477 3.384 50 0 FGAARP CN(C(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000011699387 210101646 /nfs/dbraw/zinc/10/16/46/210101646.db2.gz VDIKYZUQRSHXGB-QTWIXLPOSA-N 2 0 373.541 3.338 50 0 FGAARP COc1ccc(/C=C/c2nc3ccccc3c([C@H](C[NH3+])C[NH+](C)C)n2)cc1 ZINC000299803818 210042425 /nfs/dbraw/zinc/04/24/25/210042425.db2.gz FJTVMDDTEJWJIV-JIIJFUIFSA-N 2 0 362.477 3.413 50 0 FGAARP C[N@@H+](Cc1ccc(CO)o1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012713589 220021620 /nfs/dbraw/zinc/02/16/20/220021620.db2.gz YMWZFDDIYKQGKX-UHFFFAOYSA-N 2 0 360.473 3.298 50 0 FGAARP CC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000012707899 220019933 /nfs/dbraw/zinc/01/99/33/220019933.db2.gz SLQFVQXXPMGUMM-HXUWFJFHSA-N 2 0 372.509 3.019 50 0 FGAARP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000048711592 221014554 /nfs/dbraw/zinc/01/45/54/221014554.db2.gz ZNTSQJFFHSIPIS-OAHLLOKOSA-N 2 0 360.452 3.341 50 0 FGAARP CC[N@@H+](Cc1ccc(C(=O)Nc2nccs2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000065453167 221220919 /nfs/dbraw/zinc/22/09/19/221220919.db2.gz XZVFQYGMNFOPRC-MRXNPFEDSA-N 2 0 358.511 3.169 50 0 FGAARP O=C1Nc2ccccc2NC12CC[NH+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC000067770972 221283433 /nfs/dbraw/zinc/28/34/33/221283433.db2.gz NQUOYYJPIAACMA-UHFFFAOYSA-N 2 0 368.525 3.198 50 0 FGAARP C[C@H](c1ccc(-c2ccccc2CN2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000067847108 221294089 /nfs/dbraw/zinc/29/40/89/221294089.db2.gz XVFVOIJTNMJMQR-LJQANCHMSA-N 2 0 365.521 3.152 50 0 FGAARP O[C@H]1[C@H]([NH2+]CCc2ccc(Cl)cc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072143967 221421550 /nfs/dbraw/zinc/42/15/50/221421550.db2.gz GFAJUSZSPKRMMI-UXHICEINSA-N 2 0 356.897 3.209 50 0 FGAARP OC[C@H]1C[N@H+](Cc2ccoc2)CCC12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000097610095 222198799 /nfs/dbraw/zinc/19/87/99/222198799.db2.gz KHGHFUJYNQBALR-HXUWFJFHSA-N 2 0 370.493 3.082 50 0 FGAARP Cc1cc(N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)nc(N)[nH+]1 ZINC000072135151 494131740 /nfs/dbraw/zinc/13/17/40/494131740.db2.gz ATOHFBCMSYFOLP-JOCHJYFZSA-N 2 0 365.525 3.292 50 0 FGAARP CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091770591 494673384 /nfs/dbraw/zinc/67/33/84/494673384.db2.gz JMDNYPFJYMQESE-UHFFFAOYSA-N 2 0 357.542 3.015 50 0 FGAARP CN(CCC[NH+]1CCCCCC1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095390732 494973180 /nfs/dbraw/zinc/97/31/80/494973180.db2.gz KMQLEMKABNUMFA-NRFANRHFSA-N 2 0 357.542 3.492 50 0 FGAARP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000225541176 497066182 /nfs/dbraw/zinc/06/61/82/497066182.db2.gz XBHCKHWELNMTMC-LJQANCHMSA-N 2 0 364.578 3.013 50 0 FGAARP Nc1cc[nH+]cc1-c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426490544 500279228 /nfs/dbraw/zinc/27/92/28/500279228.db2.gz QVDUNHPWPCIIEJ-MRXNPFEDSA-N 2 0 364.493 3.155 50 0 FGAARP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccs1 ZINC000048342425 570948242 /nfs/dbraw/zinc/94/82/42/570948242.db2.gz ICVQJVQMPLUUPD-ZIAGYGMSSA-N 2 0 366.556 3.014 50 0 FGAARP C/C=C(\C)C[N@@H+]1CCC[C@@H](c2nnc(SCC[NH+]3CCCC3)n2C)C1 ZINC000299796797 210038250 /nfs/dbraw/zinc/03/82/50/210038250.db2.gz OMIQGADQOJJMKE-XOVDAKGOSA-N 2 0 363.575 3.149 50 0 FGAARP Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000071754030 221365769 /nfs/dbraw/zinc/36/57/69/221365769.db2.gz CMRDTBJYBSGZCZ-SFHVURJKSA-N 2 0 357.477 3.243 50 0 FGAARP C[NH+](C)Cc1csc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000097553244 222190843 /nfs/dbraw/zinc/19/08/43/222190843.db2.gz HPBFFUGJYFQKFL-UHFFFAOYSA-N 2 0 355.551 3.095 50 0 FGAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCCCCCC3)C[C@H]2CCO)CC1 ZINC000106737593 222388607 /nfs/dbraw/zinc/38/86/07/222388607.db2.gz LBYYZIVQTYSWPZ-JOCHJYFZSA-N 2 0 365.606 3.341 50 0 FGAARP C[C@H](C1CC[NH+](Cc2ccccc2OCCn2ccnc2)CC1)[NH+](C)C ZINC000077438345 494083077 /nfs/dbraw/zinc/08/30/77/494083077.db2.gz LKMSCYYYTZQRMV-GOSISDBHSA-N 2 0 356.514 3.124 50 0 FGAARP CC(C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072133910 494130801 /nfs/dbraw/zinc/13/08/01/494130801.db2.gz RAQQYFTVKHTDQU-HXUWFJFHSA-N 2 0 363.521 3.226 50 0 FGAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NC1(Cc3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072431328 494172787 /nfs/dbraw/zinc/17/27/87/494172787.db2.gz ZIKSFAPYAOLCFI-HXUWFJFHSA-N 2 0 369.553 3.074 50 0 FGAARP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2CC2)cc1 ZINC000011661792 494185149 /nfs/dbraw/zinc/18/51/49/494185149.db2.gz LOMBOOSQIQAXKS-OAQYLSRUSA-N 2 0 354.494 3.058 50 0 FGAARP CC1CC[NH+](CCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000024776301 494663640 /nfs/dbraw/zinc/66/36/40/494663640.db2.gz GCEMHCRKCBLROW-UHFFFAOYSA-N 2 0 372.557 3.204 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)C[C@H]2CCCCO2)cc1CN1CC[NH+](C)CC1 ZINC000215412331 496981040 /nfs/dbraw/zinc/98/10/40/496981040.db2.gz LTJYMWYIQOCMLF-JOCHJYFZSA-N 2 0 359.558 3.052 50 0 FGAARP CN(Cc1ccc(Cl)cc1Cl)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219129286 497007182 /nfs/dbraw/zinc/00/71/82/497007182.db2.gz NOPQFLIYYZLACP-UHFFFAOYSA-N 2 0 352.269 3.207 50 0 FGAARP CC1CC[NH+](CCC[C@@H]([NH2+]CCn2ccnn2)c2ccc(F)cc2)CC1 ZINC000225411605 497061596 /nfs/dbraw/zinc/06/15/96/497061596.db2.gz ULCNYDKRTMKELB-HXUWFJFHSA-N 2 0 359.493 3.260 50 0 FGAARP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C)ccc2O)CC1 ZINC000105464673 571143552 /nfs/dbraw/zinc/14/35/52/571143552.db2.gz DXVHTFOCTLXSIE-INIZCTEOSA-N 2 0 372.488 3.227 50 0 FGAARP Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000040719932 211754441 /nfs/dbraw/zinc/75/44/41/211754441.db2.gz KKQVCYQIQXNGLH-UHFFFAOYSA-N 2 0 367.493 3.102 50 0 FGAARP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023359947 211384505 /nfs/dbraw/zinc/38/45/05/211384505.db2.gz KLGFOZOLTJSYOQ-QHCPKHFHSA-N 2 0 373.585 3.045 50 0 FGAARP [NH3+]CCc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071762321 221369643 /nfs/dbraw/zinc/36/96/43/221369643.db2.gz XFECSWFJXMWSOE-WXFUMESZSA-N 2 0 361.533 3.250 50 0 FGAARP Cc1c2c(ccc1N1CCC([NH+]3CCCC3)CC1)ncn2C1CC[NH2+]CC1 ZINC000055167960 136126252 /nfs/dbraw/zinc/12/62/52/136126252.db2.gz SAUCLESQONGJJI-UHFFFAOYSA-N 2 0 367.541 3.334 50 0 FGAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+]2CCCC2(C)C)cc1OC ZINC000095504034 221930106 /nfs/dbraw/zinc/93/01/06/221930106.db2.gz CIWYZPGVRHORPS-GOSISDBHSA-N 2 0 364.530 3.151 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723244 493890284 /nfs/dbraw/zinc/89/02/84/493890284.db2.gz ZMMHFZYBORXNGO-FQEVSTJZSA-N 2 0 357.542 3.231 50 0 FGAARP C[NH+](C)CCCN1CC2(CC[NH+](Cc3cc4ccccc4o3)CC2)OC1=O ZINC000072410465 494166919 /nfs/dbraw/zinc/16/69/19/494166919.db2.gz ZBJKIWPPFQWAON-UHFFFAOYSA-N 2 0 371.481 3.171 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(C)s2)C[C@H]2CCCO2)CC1 ZINC000011879430 494194682 /nfs/dbraw/zinc/19/46/82/494194682.db2.gz QNXUQAIJJRMJMV-LJQANCHMSA-N 2 0 366.571 3.396 50 0 FGAARP COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnc(C)[nH]3)CC2)cc1 ZINC000012302181 494221226 /nfs/dbraw/zinc/22/12/26/494221226.db2.gz JUQYHWVVTOWBEF-UHFFFAOYSA-N 2 0 356.514 3.113 50 0 FGAARP CC[NH+](CC)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccco1 ZINC000042643896 494233499 /nfs/dbraw/zinc/23/34/99/494233499.db2.gz JZYGICUQJYIOCJ-WOJBJXKFSA-N 2 0 369.509 3.398 50 0 FGAARP [NH3+]CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1 ZINC000091254394 494573483 /nfs/dbraw/zinc/57/34/83/494573483.db2.gz XGBAXMBUYAHRGY-JTHBVZDNSA-N 2 0 367.512 3.423 50 0 FGAARP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000132159023 494831118 /nfs/dbraw/zinc/83/11/18/494831118.db2.gz KYGBKZGSWZMTGT-UHFFFAOYSA-N 2 0 351.922 3.122 50 0 FGAARP CC[N@@H+](Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C)C[C@@H]1CCCO1 ZINC000219984435 497013004 /nfs/dbraw/zinc/01/30/04/497013004.db2.gz ZXQSIFCUAPUNNN-QFIPXVFZSA-N 2 0 359.558 3.052 50 0 FGAARP C[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)c1ccccc1 ZINC000020058112 524587198 /nfs/dbraw/zinc/58/71/98/524587198.db2.gz LHORUFSBIBEAIK-SFHVURJKSA-N 2 0 359.558 3.206 50 0 FGAARP CC[NH+](CC)[C@@H](CNc1nc(CC[NH3+])nc2ccccc21)c1ccco1 ZINC000065395838 221210848 /nfs/dbraw/zinc/21/08/48/221210848.db2.gz ILTJPWXSGSSNDQ-KRWDZBQOSA-N 2 0 353.470 3.219 50 0 FGAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc3c(ccn3C)c1)C[C@@H]2CO ZINC000097179419 222167964 /nfs/dbraw/zinc/16/79/64/222167964.db2.gz LYUVVOCKUFZPMB-OAQYLSRUSA-N 2 0 369.553 3.485 50 0 FGAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723245 493890447 /nfs/dbraw/zinc/89/04/47/493890447.db2.gz ZMMHFZYBORXNGO-HXUWFJFHSA-N 2 0 357.542 3.231 50 0 FGAARP CC(C)N(C)c1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000191100740 497709924 /nfs/dbraw/zinc/70/99/24/497709924.db2.gz OFEBQMYGMNHEED-UHFFFAOYSA-N 2 0 368.525 3.495 50 0 FGAARP O=C(N[C@H]1CC[NH2+]C1)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000426596627 500292822 /nfs/dbraw/zinc/29/28/22/500292822.db2.gz PZZHEVHHUROULD-QFIPXVFZSA-N 2 0 363.505 3.431 50 0 FGAARP CC[C@@H](CNC(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+](C)C ZINC000534588669 504185479 /nfs/dbraw/zinc/18/54/79/504185479.db2.gz XWOHMDYMXNGXAO-KRWDZBQOSA-N 2 0 362.477 3.384 50 0 FGAARP O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC1 ZINC000082114926 526304209 /nfs/dbraw/zinc/30/42/09/526304209.db2.gz LXDBKCBFTZOBGN-UHFFFAOYSA-N 2 0 369.553 3.028 50 0 FGAARP c1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)sc1C[NH+]1CCCCC1 ZINC000096839742 222133426 /nfs/dbraw/zinc/13/34/26/222133426.db2.gz SZOVAQJQNYSTLF-GOSISDBHSA-N 2 0 363.571 3.031 50 0 FGAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc3c(ccn3C)c1)C[C@H]2CO ZINC000097179420 222166843 /nfs/dbraw/zinc/16/68/43/222166843.db2.gz LYUVVOCKUFZPMB-NRFANRHFSA-N 2 0 369.553 3.485 50 0 FGAARP CC[NH+](CC)CCOc1ccc2c(C)cc(OCC[NH+](CC)CC)nc2n1 ZINC000004397533 493876298 /nfs/dbraw/zinc/87/62/98/493876298.db2.gz RWGICUYJAKONIR-UHFFFAOYSA-N 2 0 374.529 3.379 50 0 FGAARP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004550272 493882682 /nfs/dbraw/zinc/88/26/82/493882682.db2.gz FVXJIIPVNBZFMJ-UHFFFAOYSA-N 2 0 359.558 3.035 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2ccccc2OCCn2ccnc2)CC1)[NH+](C)C ZINC000077438343 494082890 /nfs/dbraw/zinc/08/28/90/494082890.db2.gz LKMSCYYYTZQRMV-SFHVURJKSA-N 2 0 356.514 3.124 50 0 FGAARP COc1cc(C[NH2+]CC2CC[NH2+]CC2)cc(Br)c1OC(C)C ZINC000040719586 494145919 /nfs/dbraw/zinc/14/59/19/494145919.db2.gz CJJAJYQTOIEWNB-UHFFFAOYSA-N 2 0 371.319 3.334 50 0 FGAARP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCn2cccn2)C1 ZINC000011840487 494193666 /nfs/dbraw/zinc/19/36/66/494193666.db2.gz HIBMZZSODHRPHT-FQEVSTJZSA-N 2 0 370.541 3.168 50 0 FGAARP Cc1ccc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)c(C)c1 ZINC000055052741 494294989 /nfs/dbraw/zinc/29/49/89/494294989.db2.gz PNMRZXQVMAFTLH-QHCPKHFHSA-N 2 0 368.521 3.467 50 0 FGAARP CN(CC(=O)N(Cc1ccccc1)CC1CCCCC1)C1CC[NH2+]CC1 ZINC000215336622 496979365 /nfs/dbraw/zinc/97/93/65/496979365.db2.gz HWAXVLATJKYKRO-UHFFFAOYSA-N 2 0 357.542 3.279 50 0 FGAARP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565115 497256078 /nfs/dbraw/zinc/25/60/78/497256078.db2.gz IIXNMFJKPWAWEP-COPCDDAFSA-N 2 0 365.521 3.240 50 0 FGAARP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509791 497308231 /nfs/dbraw/zinc/30/82/31/497308231.db2.gz YVTZSMXVOYRSPG-OAQYLSRUSA-N 2 0 373.541 3.010 50 0 FGAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@H](C[NH+]1CCCC1)C(C)(C)C ZINC000426493288 500280251 /nfs/dbraw/zinc/28/02/51/500280251.db2.gz UUYHUKATAXUCMS-HXUWFJFHSA-N 2 0 372.557 3.284 50 0 FGAARP CN(CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000020907759 521748014 /nfs/dbraw/zinc/74/80/14/521748014.db2.gz YKWJHTUBAYJKMT-HXUWFJFHSA-N 2 0 359.558 3.466 50 0 FGAARP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccs1 ZINC000048342423 570948155 /nfs/dbraw/zinc/94/81/55/570948155.db2.gz ICVQJVQMPLUUPD-OKILXGFUSA-N 2 0 366.556 3.014 50 0 FGAARP Cc1ccsc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420770 210139096 /nfs/dbraw/zinc/13/90/96/210139096.db2.gz NBPOGAJZSMAZHQ-GOSISDBHSA-N 2 0 357.523 3.044 50 0 FGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)CCC(C)C)ccc1OC ZINC000015063617 211117076 /nfs/dbraw/zinc/11/70/76/211117076.db2.gz NLYLBLUYQVIMNK-LJQANCHMSA-N 2 0 366.546 3.255 50 0 FGAARP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3ccncc3)CC2)nc(N)[nH+]1 ZINC000095354490 132207062 /nfs/dbraw/zinc/20/70/62/132207062.db2.gz ZNDSEDMEHADSSR-OAQYLSRUSA-N 2 0 374.492 3.110 50 0 FGAARP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000097619716 222199905 /nfs/dbraw/zinc/19/99/05/222199905.db2.gz TYXSSIRAQISYLL-IBGZPJMESA-N 2 0 363.933 3.295 50 0 FGAARP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Br)cs1 ZINC000002498598 493810007 /nfs/dbraw/zinc/81/00/07/493810007.db2.gz YFVVDRADLDGARM-UHFFFAOYSA-N 2 0 362.381 3.216 50 0 FGAARP CCC[NH+]1CCC([NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1 ZINC000048482721 493831752 /nfs/dbraw/zinc/83/17/52/493831752.db2.gz ASOFAENBCVBYNX-UHFFFAOYSA-N 2 0 353.514 3.456 50 0 FGAARP CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC000077391474 494074866 /nfs/dbraw/zinc/07/48/66/494074866.db2.gz LDMREVLYVKDTFQ-NRFANRHFSA-N 2 0 357.542 3.265 50 0 FGAARP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2CC2)cc1 ZINC000011661791 494185060 /nfs/dbraw/zinc/18/50/60/494185060.db2.gz LOMBOOSQIQAXKS-NRFANRHFSA-N 2 0 354.494 3.058 50 0 FGAARP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118942 494304781 /nfs/dbraw/zinc/30/47/81/494304781.db2.gz FRCPSSNJVNMOPR-SFHVURJKSA-N 2 0 356.514 3.142 50 0 FGAARP C[NH+](C)CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000215575328 496981830 /nfs/dbraw/zinc/98/18/30/496981830.db2.gz XWGCOWSOAGNZGJ-JOCHJYFZSA-N 2 0 353.510 3.116 50 0 FGAARP CN1CC[NH+](CC2CC[NH+](Cc3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000215960164 496984798 /nfs/dbraw/zinc/98/47/98/496984798.db2.gz GLBKPURYFMBLCB-UHFFFAOYSA-N 2 0 353.510 3.406 50 0 FGAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)N[C@@H](C[NH+]1CCCC1)C(C)(C)C ZINC000426493284 500279343 /nfs/dbraw/zinc/27/93/43/500279343.db2.gz UUYHUKATAXUCMS-FQEVSTJZSA-N 2 0 372.557 3.284 50 0 FGAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC(=O)NC(C)(C)C)C3)C2)c1 ZINC000426549204 500288209 /nfs/dbraw/zinc/28/82/09/500288209.db2.gz SIMZTJQRRIEMAN-QFIPXVFZSA-N 2 0 357.542 3.198 50 0 FGAARP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000108428968 570906762 /nfs/dbraw/zinc/90/67/62/570906762.db2.gz YPVVCOQNXODQTJ-SFHVURJKSA-N 2 0 355.482 3.101 50 0 FGAARP COC[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2 ZINC000169789804 705351699 /nfs/dbraw/zinc/35/16/99/705351699.db2.gz KZDVKBNLBSAQQB-HNNXBMFYSA-N 2 0 358.404 3.033 50 0 FGAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)ccc3-n3cccn3)C2)C1 ZINC000015072829 211119498 /nfs/dbraw/zinc/11/94/98/211119498.db2.gz ZVJIDYXNSRETTP-JOCHJYFZSA-N 2 0 368.525 3.115 50 0 FGAARP Cc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](CC(C)C)CC3)CC2)cc1 ZINC000067982574 221311947 /nfs/dbraw/zinc/31/19/47/221311947.db2.gz QZAXCGQKPDSQEZ-UHFFFAOYSA-N 2 0 357.542 3.310 50 0 FGAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000006274553 493956328 /nfs/dbraw/zinc/95/63/28/493956328.db2.gz RDBBFGWGIYUZFQ-UHFFFAOYSA-N 2 0 351.922 3.010 50 0 FGAARP CC(C)[C@H]1CN(C(=O)C[NH+](C)C(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072162820 494139747 /nfs/dbraw/zinc/13/97/47/494139747.db2.gz NYKIPBLNXHJWDU-HXUWFJFHSA-N 2 0 363.521 3.225 50 0 FGAARP C[N@H+](CCCn1cccn1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012576358 494244382 /nfs/dbraw/zinc/24/43/82/494244382.db2.gz OCLGTPPJTOYHMT-HXUWFJFHSA-N 2 0 358.505 3.299 50 0 FGAARP CSc1cccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)c1 ZINC000012744241 494253851 /nfs/dbraw/zinc/25/38/51/494253851.db2.gz LXWBCSPGMJEJSR-UHFFFAOYSA-N 2 0 363.571 3.079 50 0 FGAARP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000091933487 494727140 /nfs/dbraw/zinc/72/71/40/494727140.db2.gz HXWBXMBDZKLIAW-FQEVSTJZSA-N 2 0 350.510 3.365 50 0 FGAARP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585724 497259418 /nfs/dbraw/zinc/25/94/18/497259418.db2.gz QRWVCWFJLBDUPE-QIJUGHKUSA-N 2 0 365.521 3.068 50 0 FGAARP Cc1cc(N2CCC[N@H+](CCC(=O)Nc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000252483471 497304147 /nfs/dbraw/zinc/30/41/47/497304147.db2.gz FCDQIMLIAJTBQE-UHFFFAOYSA-N 2 0 374.435 3.209 50 0 FGAARP COC[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789809 705351721 /nfs/dbraw/zinc/35/17/21/705351721.db2.gz IUEJUYJIHSRWHT-CQSZACIVSA-N 2 0 371.294 3.036 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)CC1 ZINC000015064149 220143604 /nfs/dbraw/zinc/14/36/04/220143604.db2.gz FSULDBKGJLDYSX-FQEVSTJZSA-N 2 0 364.505 3.165 50 0 FGAARP C[NH+]1CCC(C[N@@H+]2CCc3n[nH]c(COc4cccc(Cl)c4)c3C2)CC1 ZINC000020867734 220342492 /nfs/dbraw/zinc/34/24/92/220342492.db2.gz IKNMLYMUGZRSQO-UHFFFAOYSA-N 2 0 374.916 3.342 50 0 FGAARP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997183 132216641 /nfs/dbraw/zinc/21/66/41/132216641.db2.gz XQQMZTSZVJXSAC-TZIWHRDSSA-N 2 0 359.558 3.057 50 0 FGAARP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(C)(C)C ZINC000076016685 493809449 /nfs/dbraw/zinc/80/94/49/493809449.db2.gz HWKVOUTZFFVWKW-GOEBONIOSA-N 2 0 354.564 3.016 50 0 FGAARP CCCCN1C[C@]2(CCC[N@H+](Cc3ccc(CC[NH3+])cc3)C2)CCC1=O ZINC000077285835 494048748 /nfs/dbraw/zinc/04/87/48/494048748.db2.gz SQAOATJCVOHZBA-JOCHJYFZSA-N 2 0 357.542 3.193 50 0 FGAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC ZINC000095507368 494982553 /nfs/dbraw/zinc/98/25/53/494982553.db2.gz QVRADJXCDLGSMS-GOSISDBHSA-N 2 0 364.530 3.151 50 0 FGAARP COC[C@H]1CCCC[N@@H+]1Cc1cc(CN2CC[NH+](C)CC2)c(C)cc1C ZINC000215939590 496985163 /nfs/dbraw/zinc/98/51/63/496985163.db2.gz QIATUSYCTNEVBG-JOCHJYFZSA-N 2 0 359.558 3.052 50 0 FGAARP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000225406481 497061229 /nfs/dbraw/zinc/06/12/29/497061229.db2.gz GWEYFTXLFCKVAE-QFBILLFUSA-N 2 0 365.562 3.486 50 0 FGAARP Cc1cc(N2CCC[N@@H+](CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000244763938 497370029 /nfs/dbraw/zinc/37/00/29/497370029.db2.gz OYDNQXCOZYAGNN-IBGZPJMESA-N 2 0 366.509 3.170 50 0 FGAARP CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1 ZINC000091586349 521852294 /nfs/dbraw/zinc/85/22/94/521852294.db2.gz CXNHPUBAARBCSO-WOJBJXKFSA-N 2 0 353.510 3.056 50 0 FGAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)N(C)c1ccccc1 ZINC000012930458 220043716 /nfs/dbraw/zinc/04/37/16/220043716.db2.gz VFIIDVWRDOIRSY-GOSISDBHSA-N 2 0 351.494 3.424 50 0 FGAARP CSc1ncc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cn1 ZINC000055089918 221057965 /nfs/dbraw/zinc/05/79/65/221057965.db2.gz YVZFDMLFMNYGCP-UHFFFAOYSA-N 2 0 360.527 3.444 50 0 FGAARP O=C(c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1)N1CCCC1 ZINC000063856684 221143411 /nfs/dbraw/zinc/14/34/11/221143411.db2.gz BPWIXVIQEYWXPC-LEWJYISDSA-N 2 0 355.526 3.277 50 0 FGAARP COc1cc(C)c(C[NH+]2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000097272523 222171863 /nfs/dbraw/zinc/17/18/63/222171863.db2.gz HETUFYVXVYXRKW-IBGZPJMESA-N 2 0 359.558 3.160 50 0 FGAARP COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000077284624 494049138 /nfs/dbraw/zinc/04/91/38/494049138.db2.gz KQDDGWIEJSUFIV-UHFFFAOYSA-N 2 0 354.494 3.393 50 0 FGAARP COc1ccccc1-c1ncc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000072135596 494132208 /nfs/dbraw/zinc/13/22/08/494132208.db2.gz RXVDOLGRARPDCT-UHFFFAOYSA-N 2 0 352.482 3.118 50 0 FGAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccsc1)C2 ZINC000072163888 494140494 /nfs/dbraw/zinc/14/04/94/494140494.db2.gz CAKBDPZACGWORH-AQNXPRMDSA-N 2 0 364.555 3.088 50 0 FGAARP CC(=O)N1CCC([N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)CC1 ZINC000011880053 494195176 /nfs/dbraw/zinc/19/51/76/494195176.db2.gz DDWJFZNBKJRDGF-NRFANRHFSA-N 2 0 371.569 3.192 50 0 FGAARP O=C(NCCC[NH+]1Cc2ccccc2C1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095359975 494963627 /nfs/dbraw/zinc/96/36/27/494963627.db2.gz SRDPHOJDLKVBQG-HXUWFJFHSA-N 2 0 363.505 3.289 50 0 FGAARP CC(C)[NH+]1CCC(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000095371683 494967318 /nfs/dbraw/zinc/96/73/18/494967318.db2.gz FTIMSLRWXHCDSM-UHFFFAOYSA-N 2 0 357.542 3.409 50 0 FGAARP CC[NH+]1CCC(CC(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000095378757 494969453 /nfs/dbraw/zinc/96/94/53/494969453.db2.gz IMTXTOQPNXFGSV-NRFANRHFSA-N 2 0 357.542 3.104 50 0 FGAARP C[NH+]1CCN(CCOc2ccccc2C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000219894909 497011767 /nfs/dbraw/zinc/01/17/67/497011767.db2.gz DMJVSXVWGIXWQB-SFTDATJTSA-N 2 0 371.569 3.325 50 0 FGAARP C/C=C(\C)C[N@@H+]1CCC[C@H](c2nnc(SCC[NH+]3CCCC3)n2C)C1 ZINC000299796789 497926506 /nfs/dbraw/zinc/92/65/06/497926506.db2.gz OMIQGADQOJJMKE-DEKXCNBGSA-N 2 0 363.575 3.149 50 0 FGAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000012920811 220043118 /nfs/dbraw/zinc/04/31/18/220043118.db2.gz XYPJIWGIILIGLT-GOSISDBHSA-N 2 0 363.505 3.350 50 0 FGAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000014976812 220138885 /nfs/dbraw/zinc/13/88/85/220138885.db2.gz AQRHFEIHZBEDAF-HXUWFJFHSA-N 2 0 369.553 3.074 50 0 FGAARP Cc1nc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)s1 ZINC000019638700 220280003 /nfs/dbraw/zinc/28/00/03/220280003.db2.gz OSXONFFMTSRGNO-UXHICEINSA-N 2 0 371.550 3.271 50 0 FGAARP CCCCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071524410 221350908 /nfs/dbraw/zinc/35/09/08/221350908.db2.gz VVVRSLZMJSBXOS-HXUWFJFHSA-N 2 0 372.557 3.064 50 0 FGAARP COc1ccc(C[NH+]2CCC(Cn3ccnc3)CC2)cc1C[NH+]1CCCC1 ZINC000097637837 222201063 /nfs/dbraw/zinc/20/10/63/222201063.db2.gz HVVKLKZMBGKWDH-UHFFFAOYSA-N 2 0 368.525 3.400 50 0 FGAARP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072137199 494132392 /nfs/dbraw/zinc/13/23/92/494132392.db2.gz PHINLIFTTLHWTH-FQEVSTJZSA-N 2 0 363.521 3.226 50 0 FGAARP COCc1cc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)ccc1OC ZINC000072167793 494141512 /nfs/dbraw/zinc/14/15/12/494141512.db2.gz HVKCZXOXHXSTMV-UHFFFAOYSA-N 2 0 355.482 3.257 50 0 FGAARP C[C@@H](C1CC[NH+](Cc2ccccc2OC(F)F)CC1)[NH+]1CCOCC1 ZINC000072409364 494165924 /nfs/dbraw/zinc/16/59/24/494165924.db2.gz QSBITQUJEIGEOL-HNNXBMFYSA-N 2 0 354.441 3.221 50 0 FGAARP C[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000075109365 494692911 /nfs/dbraw/zinc/69/29/11/494692911.db2.gz YEUOFQLSMOLHEM-LAUBAEHRSA-N 2 0 355.526 3.345 50 0 FGAARP O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2OCCn2ccnc2)C1 ZINC000216308720 496987704 /nfs/dbraw/zinc/98/77/04/496987704.db2.gz QTHHBIGRRZWFOI-JOCHJYFZSA-N 2 0 363.461 3.056 50 0 FGAARP [NH3+][C@H]1C[C@@H](c2cc(NCC3CC[NH+](CCc4ccccc4)CC3)ncn2)C1 ZINC000252551805 497311461 /nfs/dbraw/zinc/31/14/61/497311461.db2.gz UHJZSQKGYYOTRM-BGYRXZFFSA-N 2 0 365.525 3.048 50 0 FGAARP Cc1ccccc1[C@@H](CNC(=O)N1CC[NH+](C2CCCCC2)CC1)[NH+](C)C ZINC000534676236 504212689 /nfs/dbraw/zinc/21/26/89/504212689.db2.gz UVCAHYHWHSZDPM-OAQYLSRUSA-N 2 0 372.557 3.258 50 0 FGAARP CSCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000011844314 695603179 /nfs/dbraw/zinc/60/31/79/695603179.db2.gz CFBDJKJADJUFPZ-LJQANCHMSA-N 2 0 366.571 3.143 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000012710841 220018906 /nfs/dbraw/zinc/01/89/06/220018906.db2.gz YNFOCYFDVUYNAY-OAQYLSRUSA-N 2 0 364.505 3.165 50 0 FGAARP CC(C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015069001 220144124 /nfs/dbraw/zinc/14/41/24/220144124.db2.gz KKTNZYPHIGPMOT-SFHVURJKSA-N 2 0 363.521 3.084 50 0 FGAARP CCc1oc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C[NH+](CC)CC ZINC000055132719 221060139 /nfs/dbraw/zinc/06/01/39/221060139.db2.gz ZFHBQJVZEWZBNJ-SFHVURJKSA-N 2 0 361.530 3.384 50 0 FGAARP C[N@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000058166231 221101617 /nfs/dbraw/zinc/10/16/17/221101617.db2.gz FJWHRMWLPGRTGI-NRFANRHFSA-N 2 0 372.557 3.345 50 0 FGAARP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3ccncc3)CC2)nc(N)[nH+]1 ZINC000095354489 132207328 /nfs/dbraw/zinc/20/73/28/132207328.db2.gz ZNDSEDMEHADSSR-NRFANRHFSA-N 2 0 374.492 3.110 50 0 FGAARP CSCCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccsc1)C[C@H]2CO ZINC000097609975 222198112 /nfs/dbraw/zinc/19/81/12/222198112.db2.gz SVNZNTGWKPHFAO-SFHVURJKSA-N 2 0 368.612 3.398 50 0 FGAARP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428556 494090485 /nfs/dbraw/zinc/09/04/85/494090485.db2.gz QIPWTOYXVHYLRG-GMAHTHKFSA-N 2 0 368.521 3.293 50 0 FGAARP c1ccc(CC[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000077538255 494108835 /nfs/dbraw/zinc/10/88/35/494108835.db2.gz LIMKCEUJFILGDL-JOCHJYFZSA-N 2 0 372.553 3.259 50 0 FGAARP OCC[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040720712 494145900 /nfs/dbraw/zinc/14/59/00/494145900.db2.gz QFDVPPZZNSEATG-UHFFFAOYSA-N 2 0 366.864 3.120 50 0 FGAARP Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012431772 494232041 /nfs/dbraw/zinc/23/20/41/494232041.db2.gz QLRXRIJGYXFWAV-HXUWFJFHSA-N 2 0 357.542 3.196 50 0 FGAARP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095364522 494965645 /nfs/dbraw/zinc/96/56/45/494965645.db2.gz GJBNDZSHDZYJEB-OAQYLSRUSA-N 2 0 357.542 3.492 50 0 FGAARP CCC[NH+]1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095504579 494982308 /nfs/dbraw/zinc/98/23/08/494982308.db2.gz FEAFSMLRNWZGAT-NRFANRHFSA-N 2 0 357.542 3.279 50 0 FGAARP Cc1cc(C)c(C[N@@H+]2CCOC3(CCCC3)C2)cc1CN1CC[NH+](C)CC1 ZINC000215065856 496977656 /nfs/dbraw/zinc/97/76/56/496977656.db2.gz XZLUZVASUKCDIN-UHFFFAOYSA-N 2 0 371.569 3.196 50 0 FGAARP CC[N@@H+](Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C)C[C@H]1CCCO1 ZINC000219984502 497012957 /nfs/dbraw/zinc/01/29/57/497012957.db2.gz ZXQSIFCUAPUNNN-JOCHJYFZSA-N 2 0 359.558 3.052 50 0 FGAARP C[NH+](C)Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091494526 521919490 /nfs/dbraw/zinc/91/94/90/521919490.db2.gz BGYOUFMLIXPAMW-UHFFFAOYSA-N 2 0 369.553 3.363 50 0 FGAARP O=c1occ(C[NH+]2CCCCC2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101374038 222271202 /nfs/dbraw/zinc/27/12/02/222271202.db2.gz UCJXUHSKMQQRFI-GOSISDBHSA-N 2 0 368.477 3.321 50 0 FGAARP CCC[NH+]1CCC([NH+]2CCC(n3cc(Cc4ccccc4)nn3)CC2)CC1 ZINC000048121843 493787863 /nfs/dbraw/zinc/78/78/63/493787863.db2.gz HJUJKCDEWIAZGU-UHFFFAOYSA-N 2 0 367.541 3.380 50 0 FGAARP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000002651523 493814156 /nfs/dbraw/zinc/81/41/56/493814156.db2.gz FSOJSOFWGSSZTL-ICSRJNTNSA-N 2 0 350.547 3.452 50 0 FGAARP O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039772237 494124143 /nfs/dbraw/zinc/12/41/43/494124143.db2.gz GJTWHGSFYBSLMR-UHFFFAOYSA-N 2 0 357.542 3.281 50 0 FGAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000012072439 494201461 /nfs/dbraw/zinc/20/14/61/494201461.db2.gz OJMUPVIZCSBIAN-UHFFFAOYSA-N 2 0 357.498 3.103 50 0 FGAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000054174724 494204321 /nfs/dbraw/zinc/20/43/21/494204321.db2.gz HGTCCKIKKUVXJD-UHFFFAOYSA-N 2 0 371.550 3.482 50 0 FGAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095498769 494980482 /nfs/dbraw/zinc/98/04/82/494980482.db2.gz XOSRZMYRDGHORW-SFHVURJKSA-N 2 0 364.530 3.150 50 0 FGAARP Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1CN1CC[NH+](C)CC1 ZINC000215412286 496980326 /nfs/dbraw/zinc/98/03/26/496980326.db2.gz LTJYMWYIQOCMLF-QFIPXVFZSA-N 2 0 359.558 3.052 50 0 FGAARP Cc1nc(NC2CC[NH+](Cc3cccs3)CC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244700877 497367112 /nfs/dbraw/zinc/36/71/12/497367112.db2.gz JVOVJJJEAAZZHH-SHTZXODSSA-N 2 0 357.527 3.128 50 0 FGAARP CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)[N@H+](CCc3ccccc3)C2)CC1 ZINC000257191354 497388515 /nfs/dbraw/zinc/38/85/15/497388515.db2.gz QCVNYXFBTZZYPG-IBGZPJMESA-N 2 0 354.498 3.470 50 0 FGAARP CCN(C)c1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000191100512 497709646 /nfs/dbraw/zinc/70/96/46/497709646.db2.gz QLBGYFHUXAFAJU-UHFFFAOYSA-N 2 0 354.498 3.107 50 0 FGAARP CCc1n[nH]c(=O)c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1CC ZINC000221829929 568462700 /nfs/dbraw/zinc/46/27/00/568462700.db2.gz NHPQDYZAXHZJHZ-FUHWJXTLSA-N 2 0 368.525 3.037 50 0 FGAARP C([C@H]1CCCO1)[N@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCOCC1 ZINC000012314148 695605625 /nfs/dbraw/zinc/60/56/25/695605625.db2.gz CQDCCUNJSCDKKU-OAQYLSRUSA-N 2 0 350.547 3.301 50 0 FGAARP Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)s1 ZINC000012752918 220024475 /nfs/dbraw/zinc/02/44/75/220024475.db2.gz FZAYENFNGWGNEQ-QGZVFWFLSA-N 2 0 363.571 3.258 50 0 FGAARP C[NH+](C)Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000048684548 221014257 /nfs/dbraw/zinc/01/42/57/221014257.db2.gz SAQUEYQGXMPSGJ-UHFFFAOYSA-N 2 0 364.449 3.157 50 0 FGAARP CC(C)C[NH+]1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)CC1 ZINC000065135830 221171755 /nfs/dbraw/zinc/17/17/55/221171755.db2.gz JTMZCMVYTJZUJS-UHFFFAOYSA-N 2 0 368.525 3.178 50 0 FGAARP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2ccnc3ccccc23)CC1 ZINC000065381193 221206442 /nfs/dbraw/zinc/20/64/42/221206442.db2.gz GMRBFTOODDQYHO-FQEVSTJZSA-N 2 0 352.526 3.227 50 0 FGAARP CC(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000067842368 221292477 /nfs/dbraw/zinc/29/24/77/221292477.db2.gz YAQJGEIZGYGSQH-UHFFFAOYSA-N 2 0 358.530 3.393 50 0 FGAARP CCC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095531014 221958174 /nfs/dbraw/zinc/95/81/74/221958174.db2.gz PMRNDWFQRUIPTJ-IBGZPJMESA-N 2 0 364.530 3.153 50 0 FGAARP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000097831102 222215944 /nfs/dbraw/zinc/21/59/44/222215944.db2.gz XONIDLJZKHVUKG-IRXDYDNUSA-N 2 0 362.493 3.273 50 0 FGAARP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)C(C)(C)C ZINC000076016691 493808911 /nfs/dbraw/zinc/80/89/11/493808911.db2.gz HWKVOUTZFFVWKW-GDBMZVCRSA-N 2 0 354.564 3.016 50 0 FGAARP C[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072437776 494174631 /nfs/dbraw/zinc/17/46/31/494174631.db2.gz JHIFUMOTEVNJRY-IBGZPJMESA-N 2 0 357.542 3.137 50 0 FGAARP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)CCCn2cccn2)C1 ZINC000011840488 494193818 /nfs/dbraw/zinc/19/38/18/494193818.db2.gz HIBMZZSODHRPHT-HXUWFJFHSA-N 2 0 370.541 3.168 50 0 FGAARP CC(=O)N1CCC([N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)CC1 ZINC000011880054 494195225 /nfs/dbraw/zinc/19/52/25/494195225.db2.gz DDWJFZNBKJRDGF-OAQYLSRUSA-N 2 0 371.569 3.192 50 0 FGAARP CCn1cc(C[N@H+](C)CC2CC[NH+](CCc3ccccc3OC)CC2)cn1 ZINC000012057534 494201771 /nfs/dbraw/zinc/20/17/71/494201771.db2.gz XRWXRRCBCRTEJZ-UHFFFAOYSA-N 2 0 370.541 3.298 50 0 FGAARP CN(c1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000075110874 494694224 /nfs/dbraw/zinc/69/42/24/494694224.db2.gz NHHGSKVWSGSCMN-UHFFFAOYSA-N 2 0 367.493 3.236 50 0 FGAARP C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CC[NH+](C/C=C/c2ccccc2)CC3)C1 ZINC000091915096 494721827 /nfs/dbraw/zinc/72/18/27/494721827.db2.gz ALLAMSZKNSYPNC-FERLCFGISA-N 2 0 367.537 3.109 50 0 FGAARP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc3cc(O)ccc3c2)CC1 ZINC000219410608 497009800 /nfs/dbraw/zinc/00/98/00/497009800.db2.gz LXRZKIOIVPRHTJ-UHFFFAOYSA-N 2 0 354.494 3.216 50 0 FGAARP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000225541151 497065897 /nfs/dbraw/zinc/06/58/97/497065897.db2.gz XBHCKHWELNMTMC-IBGZPJMESA-N 2 0 364.578 3.013 50 0 FGAARP C[C@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237561137 497255833 /nfs/dbraw/zinc/25/58/33/497255833.db2.gz QRWVCWFJLBDUPE-BWAGFHJFSA-N 2 0 365.521 3.068 50 0 FGAARP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000299738416 223077879 /nfs/dbraw/zinc/07/78/79/223077879.db2.gz ANFYHIWDKXFVFN-COPCDDAFSA-N 2 0 365.521 3.446 50 0 FGAARP Cc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c(C)c1 ZINC000055052738 221057271 /nfs/dbraw/zinc/05/72/71/221057271.db2.gz PNMRZXQVMAFTLH-HSZRJFAPSA-N 2 0 368.521 3.467 50 0 FGAARP Cc1c(C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)n(-c2ccccc2)n1C ZINC000065383350 221207801 /nfs/dbraw/zinc/20/78/01/221207801.db2.gz WCSDAYIADZGPBK-UHFFFAOYSA-N 2 0 370.541 3.225 50 0 FGAARP COc1cc(C[NH+]2CCCC2)ccc1Oc1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000067974964 221310526 /nfs/dbraw/zinc/31/05/26/221310526.db2.gz DQLQLQAARIICML-GOSISDBHSA-N 2 0 354.450 3.346 50 0 FGAARP C[C@@H](c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)o1)[NH+]1CCCCC1 ZINC000097637882 132230411 /nfs/dbraw/zinc/23/04/11/132230411.db2.gz RFAKQDVFHMNVRH-KRWDZBQOSA-N 2 0 368.481 3.184 50 0 FGAARP C[C@H](c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)o1)[NH+]1CCCCC1 ZINC000097637883 132230579 /nfs/dbraw/zinc/23/05/79/132230579.db2.gz RFAKQDVFHMNVRH-QGZVFWFLSA-N 2 0 368.481 3.184 50 0 FGAARP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000097301438 222172940 /nfs/dbraw/zinc/17/29/40/222172940.db2.gz SPJITVNRHAMNTG-JOCHJYFZSA-N 2 0 365.521 3.358 50 0 FGAARP CC(=O)N[C@@H]1C[N@@H+](Cc2cc(C[NH+](C)C)cs2)C[C@H]1c1ccc(C)cc1 ZINC000077565324 494116169 /nfs/dbraw/zinc/11/61/69/494116169.db2.gz HZOVDXFDXHMFMI-LEWJYISDSA-N 2 0 371.550 3.222 50 0 FGAARP Cc1ccc(NC(=O)COc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)cc1 ZINC000040720365 494146022 /nfs/dbraw/zinc/14/60/22/494146022.db2.gz MBORGEKWMIQXJN-UHFFFAOYSA-N 2 0 367.493 3.102 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)CC1 ZINC000012072813 494201522 /nfs/dbraw/zinc/20/15/22/494201522.db2.gz BTSKLLFYEOBSTP-JOCHJYFZSA-N 3 0 365.606 3.035 50 0 FGAARP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023374719 494563136 /nfs/dbraw/zinc/56/31/36/494563136.db2.gz OTDSYBCRCJSKGZ-QHCPKHFHSA-N 2 0 373.585 3.045 50 0 FGAARP CC(C)N1CCC[C@@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821284 494764168 /nfs/dbraw/zinc/76/41/68/494764168.db2.gz QOFOCINVIYFGON-HXUWFJFHSA-N 2 0 358.530 3.019 50 0 FGAARP O=C(CCC[NH+]1CCCCC1)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000095387769 494971763 /nfs/dbraw/zinc/97/17/63/494971763.db2.gz BOHNSDNXTPXDFT-FQEVSTJZSA-N 2 0 361.505 3.345 50 0 FGAARP Cc1nccn1CC[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983638 /nfs/dbraw/zinc/98/36/38/494983638.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 2 0 358.505 3.217 50 0 FGAARP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176295870 495584690 /nfs/dbraw/zinc/58/46/90/495584690.db2.gz QSWSPGDXABVPTH-UHFFFAOYSA-N 2 0 364.578 3.205 50 0 FGAARP Cc1cccc2nc(C3CC[NH+](Cc4cnc(N(C)C)n4C)CC3)oc21 ZINC000578188050 505882161 /nfs/dbraw/zinc/88/21/61/505882161.db2.gz VUXSQVRXUOZLHB-UHFFFAOYSA-N 2 0 353.470 3.315 50 0 FGAARP CN(CC1([NH+]2CCCCC2)CCCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000244858616 497371886 /nfs/dbraw/zinc/37/18/86/497371886.db2.gz VOLLPAQFJNJYTB-HDICACEKSA-N 2 0 357.546 3.306 50 0 FGAARP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329174959 499063742 /nfs/dbraw/zinc/06/37/42/499063742.db2.gz LZLQBWRVNAOJIN-HXUWFJFHSA-N 2 0 366.509 3.246 50 0 FGAARP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnn3ccccc23)CC1 ZINC000512883995 503649671 /nfs/dbraw/zinc/64/96/71/503649671.db2.gz AXKRURTWOSQQEZ-UHFFFAOYSA-N 2 0 363.509 3.156 50 0 FGAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000072166912 695959909 /nfs/dbraw/zinc/95/99/09/695959909.db2.gz LTCOUDYVEYBROV-LJQANCHMSA-N 2 0 363.502 3.228 50 0 FGAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cccc(Br)c1)CC2 ZINC000169782633 705351664 /nfs/dbraw/zinc/35/16/64/705351664.db2.gz VXQGKDSKIUOSTQ-INIZCTEOSA-N 2 0 367.331 3.239 50 0 FGAARP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440139 221348903 /nfs/dbraw/zinc/34/89/03/221348903.db2.gz NATMBGZQGDWRCD-FQEVSTJZSA-N 2 0 357.542 3.230 50 0 FGAARP C[NH+](C)CC1CCN(c2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000096012420 132217022 /nfs/dbraw/zinc/21/70/22/132217022.db2.gz JNLVCTSXWCOCQU-UHFFFAOYSA-N 2 0 372.557 3.135 50 0 FGAARP O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000072153887 494136813 /nfs/dbraw/zinc/13/68/13/494136813.db2.gz SSTZIFCSYZZRFR-JOCHJYFZSA-N 2 0 369.553 3.319 50 0 FGAARP COCC[NH+]1CCC(C[N@@H+](Cc2ccc(C)s2)C[C@@H]2CCCO2)CC1 ZINC000011879429 494194314 /nfs/dbraw/zinc/19/43/14/494194314.db2.gz QNXUQAIJJRMJMV-IBGZPJMESA-N 2 0 366.571 3.396 50 0 FGAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000091933364 494728069 /nfs/dbraw/zinc/72/80/69/494728069.db2.gz IECISRBKOKRVCW-FQEVSTJZSA-N 2 0 357.542 3.056 50 0 FGAARP CC[NH+]1CCC(N(CCc2ccccn2)Cc2cnc(SC)nc2)CC1 ZINC000216422304 496989269 /nfs/dbraw/zinc/98/92/69/496989269.db2.gz MBPXPWRPAMECEZ-UHFFFAOYSA-N 2 0 371.554 3.123 50 0 FGAARP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000225406346 497062053 /nfs/dbraw/zinc/06/20/53/497062053.db2.gz GWEYFTXLFCKVAE-APWZRJJASA-N 2 0 365.562 3.486 50 0 FGAARP C[NH+](C)Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000091381673 521937617 /nfs/dbraw/zinc/93/76/17/521937617.db2.gz GGSCHVUXLGVICE-ZWKOTPCHSA-N 2 0 361.555 3.033 50 0 FGAARP