smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000333730951 215313223 /nfs/dbraw/zinc/31/32/23/215313223.db2.gz WBYJRKABSKVZTB-KZNAEPCWSA-N 1 1 367.538 0.550 40 0 FCABMO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1S(C)(=O)=O ZINC000107197268 206017238 /nfs/dbraw/zinc/01/72/38/206017238.db2.gz QDCJRWZSOUYDMP-YUELXQCFSA-N 1 1 355.435 0.406 40 0 FCABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2N1S(C)(=O)=O ZINC000107197268 206017243 /nfs/dbraw/zinc/01/72/43/206017243.db2.gz QDCJRWZSOUYDMP-YUELXQCFSA-N 1 1 355.435 0.406 40 0 FCABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000100767687 206225172 /nfs/dbraw/zinc/22/51/72/206225172.db2.gz KTADHUSRTUUTIQ-OWCLPIDISA-N 1 1 359.474 0.363 40 0 FCABMO COC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000020529202 206338157 /nfs/dbraw/zinc/33/81/57/206338157.db2.gz ZMYPDQZMECCPSS-KRWDZBQOSA-N 1 1 374.441 0.724 40 0 FCABMO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[NH2+]C[C@@H]13)O2 ZINC000253402173 206581650 /nfs/dbraw/zinc/58/16/50/206581650.db2.gz NZTJTYGTTFDNLA-ZOBUZTSGSA-N 1 1 371.437 0.713 40 0 FCABMO O=C(CCOc1ccccc1F)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257270419 206612765 /nfs/dbraw/zinc/61/27/65/206612765.db2.gz MUDBCGHDBAGEDR-GOSISDBHSA-N 1 1 352.406 0.890 40 0 FCABMO COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC000408593921 533406103 /nfs/dbraw/zinc/40/61/03/533406103.db2.gz OWZIRFKUQXPSGD-CYBMUJFWSA-N 1 1 355.460 0.444 40 0 FCABMO CCc1[nH+]ccn1CCC(=O)NC[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257206632 132294551 /nfs/dbraw/zinc/29/45/51/132294551.db2.gz BEHBMMUNDZHMQN-SFHVURJKSA-N 1 1 358.446 0.773 40 0 FCABMO CCS(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000408702109 230014263 /nfs/dbraw/zinc/01/42/63/230014263.db2.gz CFIARBAADRGFTC-UHFFFAOYSA-N 1 1 369.443 0.345 40 0 FCABMO CC(=O)N1CCC(c2nnc3n2C[C@H](C(=O)N2CC[NH+](C)CC2)CC3)CC1 ZINC000306126176 488893842 /nfs/dbraw/zinc/89/38/42/488893842.db2.gz DOWGMXHYFUMMCQ-MRXNPFEDSA-N 1 1 374.489 0.340 40 0 FCABMO Cn1cc(C[N@H+]2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 ZINC000306126891 488893916 /nfs/dbraw/zinc/89/39/16/488893916.db2.gz FIEHABCDONXBBN-CABCVRRESA-N 1 1 356.430 0.168 40 0 FCABMO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)n(C)n1 ZINC000306140537 488894763 /nfs/dbraw/zinc/89/47/63/488894763.db2.gz UWRHRZLSTPNJIU-YXJHDRRASA-N 1 1 357.458 0.944 40 0 FCABMO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)n(C)n1 ZINC000306140537 488894766 /nfs/dbraw/zinc/89/47/66/488894766.db2.gz UWRHRZLSTPNJIU-YXJHDRRASA-N 1 1 357.458 0.944 40 0 FCABMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019462128 487603813 /nfs/dbraw/zinc/60/38/13/487603813.db2.gz GLECHDYOLKNDLW-SMDDNHRTSA-N 1 1 360.414 0.943 40 0 FCABMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019462128 487603816 /nfs/dbraw/zinc/60/38/16/487603816.db2.gz GLECHDYOLKNDLW-SMDDNHRTSA-N 1 1 360.414 0.943 40 0 FCABMO CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C)CC2)cc(C)[nH+]1 ZINC000019698292 487605179 /nfs/dbraw/zinc/60/51/79/487605179.db2.gz YEPIYWOBIUBFBJ-GOSISDBHSA-N 1 1 359.474 0.941 40 0 FCABMO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@@H+](Cc1cccnc1N(C)C)C2 ZINC000019713557 487606772 /nfs/dbraw/zinc/60/67/72/487606772.db2.gz QAKFADUURVJQAL-IEBWSBKVSA-N 1 1 359.474 0.707 40 0 FCABMO CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CC[N@H+](Cc1cccnc1N(C)C)C2 ZINC000019713557 487606775 /nfs/dbraw/zinc/60/67/75/487606775.db2.gz QAKFADUURVJQAL-IEBWSBKVSA-N 1 1 359.474 0.707 40 0 FCABMO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[N@H+](C)CC2 ZINC000019752472 487607062 /nfs/dbraw/zinc/60/70/62/487607062.db2.gz NJEXQSBDYRYZJT-ZDUSSCGKSA-N 1 1 356.496 0.490 40 0 FCABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CC[N@H+](C)C2 ZINC000019708495 487607315 /nfs/dbraw/zinc/60/73/15/487607315.db2.gz CKBAKIPHXFTBOC-AWEZNQCLSA-N 1 1 368.507 0.840 40 0 FCABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CC[N@@H+](C)C2 ZINC000019708495 487607319 /nfs/dbraw/zinc/60/73/19/487607319.db2.gz CKBAKIPHXFTBOC-AWEZNQCLSA-N 1 1 368.507 0.840 40 0 FCABMO CC[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)CC1 ZINC000020245315 487610106 /nfs/dbraw/zinc/61/01/06/487610106.db2.gz SSQBRGFZPLCSCC-UHFFFAOYSA-N 1 1 372.466 0.603 40 0 FCABMO CC[NH+]1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)CC1 ZINC000022517431 487621808 /nfs/dbraw/zinc/62/18/08/487621808.db2.gz XTEPDKRQWWRDLA-OAHLLOKOSA-N 1 1 353.444 0.378 40 0 FCABMO CCS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000022822236 487624468 /nfs/dbraw/zinc/62/44/68/487624468.db2.gz WCJMPVIDMAONHY-UHFFFAOYSA-N 1 1 368.503 0.816 40 0 FCABMO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096036211 488488689 /nfs/dbraw/zinc/48/86/89/488488689.db2.gz ORLQVALKQDXOOD-SFHVURJKSA-N 1 1 362.478 0.458 40 0 FCABMO CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096036211 488488690 /nfs/dbraw/zinc/48/86/90/488488690.db2.gz ORLQVALKQDXOOD-SFHVURJKSA-N 1 1 362.478 0.458 40 0 FCABMO CN(C)C(=O)COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096039757 488488732 /nfs/dbraw/zinc/48/87/32/488488732.db2.gz RARLMBGTZCGAGK-FUHWJXTLSA-N 1 1 350.463 0.896 40 0 FCABMO Cn1cc(C(=O)NCc2cn3c(n2)C[N@@H+](CC2CCOCC2)CC3)cn1 ZINC000096059520 488488829 /nfs/dbraw/zinc/48/88/29/488488829.db2.gz NAIRKJLTTOGLPS-UHFFFAOYSA-N 1 1 358.446 0.789 40 0 FCABMO Cn1cc(C(=O)NCc2cn3c(n2)C[N@H+](CC2CCOCC2)CC3)cn1 ZINC000096059520 488488832 /nfs/dbraw/zinc/48/88/32/488488832.db2.gz NAIRKJLTTOGLPS-UHFFFAOYSA-N 1 1 358.446 0.789 40 0 FCABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@@H]2N1S(C)(=O)=O ZINC000096182835 488490336 /nfs/dbraw/zinc/49/03/36/488490336.db2.gz BDRXNAURJWBJCQ-BNOWGMLFSA-N 1 1 357.501 0.637 40 0 FCABMO CN(C)C(=O)[C@@]12CCC3(CCN(S(=O)(=O)C4CC4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096262429 488490921 /nfs/dbraw/zinc/49/09/21/488490921.db2.gz QIWOLOXATDGJLS-MAUKXSAKSA-N 1 1 369.531 0.991 40 0 FCABMO COc1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)ccc1OCC(N)=O ZINC000257207112 488523013 /nfs/dbraw/zinc/52/30/13/488523013.db2.gz BGJSAVJTKHFHFU-WMZOPIPTSA-N 1 1 350.415 0.675 40 0 FCABMO Cc1cccc2nc(C(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)cn21 ZINC000257210913 488523337 /nfs/dbraw/zinc/52/33/37/488523337.db2.gz BWQRQRGHAGTSAP-QGPMSJSTSA-N 1 1 358.442 0.987 40 0 FCABMO CS(=O)(=O)N1CCC([N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257212388 488523475 /nfs/dbraw/zinc/52/34/75/488523475.db2.gz CDFHTHHLBYIQKE-HZPDHXFCSA-N 1 1 358.435 0.674 40 0 FCABMO CNc1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CC[N@H+](C)C2 ZINC000257216674 488523651 /nfs/dbraw/zinc/52/36/51/488523651.db2.gz CVQDSEWDTNATTD-ZDUSSCGKSA-N 1 1 372.473 0.445 40 0 FCABMO CNc1nc([C@H]2CCN(C(=O)CN3CCCC3=O)C2)nc2c1CC[N@@H+](C)C2 ZINC000257216674 488523653 /nfs/dbraw/zinc/52/36/53/488523653.db2.gz CVQDSEWDTNATTD-ZDUSSCGKSA-N 1 1 372.473 0.445 40 0 FCABMO Cc1ncsc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1 ZINC000257251656 488524143 /nfs/dbraw/zinc/52/41/43/488524143.db2.gz JRPJMRMLIMQUNF-UKRRQHHQSA-N 1 1 352.416 0.167 40 0 FCABMO Cc1ncsc1C[N@H+]1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1 ZINC000257251656 488524146 /nfs/dbraw/zinc/52/41/46/488524146.db2.gz JRPJMRMLIMQUNF-UKRRQHHQSA-N 1 1 352.416 0.167 40 0 FCABMO Cc1nc(C)c(CC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCOCC3)CC2)s1 ZINC000257280118 488524713 /nfs/dbraw/zinc/52/47/13/488524713.db2.gz OJMZRKPDTZNJKY-GJZGRUSLSA-N 1 1 353.488 0.987 40 0 FCABMO O=C(CCn1cnc2ccccc21)N[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257260602 488524885 /nfs/dbraw/zinc/52/48/85/488524885.db2.gz LDNLIZIWEQFCQB-SZVBFZGTSA-N 1 1 358.442 0.767 40 0 FCABMO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1cn(C)cn1)CC2 ZINC000257302506 488525280 /nfs/dbraw/zinc/52/52/80/488525280.db2.gz SDEAVBQSAXTZNO-KRWDZBQOSA-N 1 1 350.463 0.632 40 0 FCABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)c3scnc3C)[C@H]2O)CC1 ZINC000257321170 488525805 /nfs/dbraw/zinc/52/58/05/488525805.db2.gz WAKHZDAYJXSWJS-MGPQQGTHSA-N 1 1 352.460 0.237 40 0 FCABMO COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@](O)(Cn3ccnc3C)C2)cc1 ZINC000257343235 488526283 /nfs/dbraw/zinc/52/62/83/488526283.db2.gz ZSBAICIMPMRVRY-FQEVSTJZSA-N 1 1 372.469 0.948 40 0 FCABMO CC[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)OC)c3)C2)C1 ZINC000514290112 490768430 /nfs/dbraw/zinc/76/84/30/490768430.db2.gz TWVWQOHQDPNJIF-DLBZAZTESA-N 1 1 373.453 0.439 40 0 biogenic,in-vitro FCABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(C(C)=O)C3)C2)c1 ZINC000514289818 490768540 /nfs/dbraw/zinc/76/85/40/490768540.db2.gz OZPVSRMOWUQYPS-ZWKOTPCHSA-N 1 1 373.453 0.325 40 0 biogenic,in-vitro FCABMO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(C(C)=O)C3)C2)c1 ZINC000514289818 490768541 /nfs/dbraw/zinc/76/85/41/490768541.db2.gz OZPVSRMOWUQYPS-ZWKOTPCHSA-N 1 1 373.453 0.325 40 0 biogenic,in-vitro FCABMO CCCC[N@@H+]1CCC[C@@]2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C3)=NO2)C1 ZINC000585101200 491719595 /nfs/dbraw/zinc/71/95/95/491719595.db2.gz NBIKRANWWZCPTI-CZUORRHYSA-N 1 1 357.476 0.701 40 0 FCABMO CCCC[N@H+]1CCC[C@@]2(CC(C(=O)N[C@@H]3CCS(=O)(=O)C3)=NO2)C1 ZINC000585101200 491719598 /nfs/dbraw/zinc/71/95/98/491719598.db2.gz NBIKRANWWZCPTI-CZUORRHYSA-N 1 1 357.476 0.701 40 0 FCABMO OCCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C2)cc1 ZINC000585269905 491720796 /nfs/dbraw/zinc/72/07/96/491720796.db2.gz POODPDITBOSCTL-LJQANCHMSA-N 1 1 350.459 0.717 40 0 FCABMO O[C@H]1CC[N@@H+](CC2(O)CCOCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585282381 491720976 /nfs/dbraw/zinc/72/09/76/491720976.db2.gz IPAJYFLLYFHLSH-WMZOPIPTSA-N 1 1 373.396 0.683 40 0 FCABMO Cc1cccc(N2CCC(O)(C[N@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 ZINC000585284653 491721190 /nfs/dbraw/zinc/72/11/90/491721190.db2.gz UMGFQESDYXIZIR-ROUUACIJSA-N 1 1 359.470 0.868 40 0 FCABMO CN1C(=O)CO[C@H]2C[N@H+](CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]21 ZINC000585282564 491721391 /nfs/dbraw/zinc/72/13/91/491721391.db2.gz GZSUMEAHCNIOCF-IRXDYDNUSA-N 1 1 363.433 0.698 40 0 FCABMO Cn1nccc1/C=C/C(=O)N1CC[C@H](O)[C@@H]([N@@H+](C)C2CCOCC2)CC1 ZINC000585290055 491721805 /nfs/dbraw/zinc/72/18/05/491721805.db2.gz QVAYSXSJPRMZBK-ZFRRBFPSSA-N 1 1 362.474 0.896 40 0 FCABMO C[N@H+]1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cnco2)CC1 ZINC001772595214 1180025839 /nfs/dbraw/zinc/02/58/39/1180025839.db2.gz COSHTKHDUNBNQV-OAHLLOKOSA-N 1 1 373.457 0.475 40 0 FCABMO COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncn1 ZINC000096255686 722228976 /nfs/dbraw/zinc/22/89/76/722228976.db2.gz JPCDHQGRNUKDGH-UHFFFAOYSA-N 1 1 355.446 0.632 40 0 FCABMO O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000187171370 209206249 /nfs/dbraw/zinc/20/62/49/209206249.db2.gz AYLCYPAKUZIWPG-HNNXBMFYSA-N 1 1 364.421 0.953 40 0 FCABMO CC(C)NC(=O)NC[C@H]1O[C@H](Cc2cc(C[NH+](C)C)on2)CC[C@@H]1O ZINC000085435910 205170124 /nfs/dbraw/zinc/17/01/24/205170124.db2.gz RCLLALKLADYINK-CWRNSKLLSA-N 1 1 354.451 0.895 40 0 biogenic,in-vitro FCABMO CC(C)[C@H]1C(=O)O[C@H]2CC[N@H+]3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000049604876 205174760 /nfs/dbraw/zinc/17/47/60/205174760.db2.gz SOODLZHDDSGRKL-MIMASFHYSA-N 1 1 353.415 0.244 40 0 FCABMO O=C(NC[C@@H]1CCCO1)[C@@H]1Cn2ccnc2C2(CC[NH+](CCF)CC2)O1 ZINC000096243789 205864432 /nfs/dbraw/zinc/86/44/32/205864432.db2.gz INIQTQCYALCPAU-GJZGRUSLSA-N 1 1 366.437 0.838 40 0 FCABMO O=C(NC[C@H]1CCCO1)[C@H]1Cn2ccnc2C2(CC[NH+](CCF)CC2)O1 ZINC000096243792 205864673 /nfs/dbraw/zinc/86/46/73/205864673.db2.gz INIQTQCYALCPAU-HUUCEWRRSA-N 1 1 366.437 0.838 40 0 FCABMO COCC(=O)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952850 205929152 /nfs/dbraw/zinc/92/91/52/205929152.db2.gz CHUKXAXKJDZGJP-FQEVSTJZSA-N 1 1 372.469 0.659 40 0 FCABMO C[NH+]1CCN(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000022585592 206379034 /nfs/dbraw/zinc/37/90/34/206379034.db2.gz FHWLMJSDUIZYAC-QGZVFWFLSA-N 1 1 360.458 0.781 40 0 FCABMO CCN(CC)S(=O)(=O)N1CCO[C@H](c2nccc(C[NH+](C)C)n2)C1 ZINC000257258112 206610490 /nfs/dbraw/zinc/61/04/90/206610490.db2.gz KSKYYRPJTAMKBX-AWEZNQCLSA-N 1 1 357.480 0.498 40 0 FCABMO COc1ccc(OC)c(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000023960888 532967852 /nfs/dbraw/zinc/96/78/52/532967852.db2.gz PZIMFUKTYGRZRV-UHFFFAOYSA-N 1 1 351.403 0.481 40 0 FCABMO C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000408596103 533483591 /nfs/dbraw/zinc/48/35/91/533483591.db2.gz SWLZVOABXVACCB-CYBMUJFWSA-N 1 1 373.450 0.331 40 0 FCABMO Cc1cccc(N2CCC[C@H](N(C)S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257240415 132295484 /nfs/dbraw/zinc/29/54/84/132295484.db2.gz HTIYUFHPWAPSSV-HNNXBMFYSA-N 1 1 354.476 0.868 40 0 FCABMO CC[NH+](CC)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514289708 263776178 /nfs/dbraw/zinc/77/61/78/263776178.db2.gz YYVLHNCEVBMURF-YESZJQIVSA-N 1 1 356.488 0.650 40 0 biogenic,in-vitro FCABMO CCS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1 ZINC000306127883 488893412 /nfs/dbraw/zinc/89/34/12/488893412.db2.gz GJVIKGOUDCZKTA-HNNXBMFYSA-N 1 1 356.492 0.681 40 0 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0 FCABMO CN(Cc1cccc(OCC[NH+]2CCCC2)c1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292127 491721613 /nfs/dbraw/zinc/72/16/13/491721613.db2.gz YOKZFLVBNDELPF-QRVBRYPASA-N 1 1 350.459 0.714 40 0 FCABMO CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccco2)[C@@H]1O ZINC000020464009 522965817 /nfs/dbraw/zinc/96/58/17/522965817.db2.gz YGCBRLAVVBDFGT-IEWDOMPSSA-N 1 1 359.426 0.792 40 0 biogenic,in-vitro FCABMO COCCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)CCN2C12CCOCC2 ZINC001772595350 1180032790 /nfs/dbraw/zinc/03/27/90/1180032790.db2.gz OUDMDOPWVIQCMF-QGZVFWFLSA-N 1 1 360.458 0.563 40 0 FCABMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)CCN2C12CCOCC2 ZINC001772595350 1180032798 /nfs/dbraw/zinc/03/27/98/1180032798.db2.gz OUDMDOPWVIQCMF-QGZVFWFLSA-N 1 1 360.458 0.563 40 0 FCABMO CC1=[NH+]N(CN2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC001554502661 1268769588 /nfs/dbraw/zinc/76/95/88/1268769588.db2.gz XJJAICBTVPGTMX-LBPRGKRZSA-N 1 1 359.434 0.634 40 0 FCABMO 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ZINC000008254260 291029694 /nfs/dbraw/zinc/02/96/94/291029694.db2.gz ZALBZSCNOVBKDU-JQHSSLGASA-N 1 1 370.457 0.846 40 0 biogenic,in-vitro FCABMO C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@H](O)C[N@H+]3CC[C@@H](OC1=O)[C@H]23 ZINC000005080893 204190568 /nfs/dbraw/zinc/19/05/68/204190568.db2.gz YEXVXKIMPBHRQR-RPFXJPNESA-N 1 1 353.415 0.244 40 0 FCABMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957576 206094977 /nfs/dbraw/zinc/09/49/77/206094977.db2.gz BLZLNNSZICLLDQ-NSHDSACASA-N 1 1 361.414 0.893 40 0 FCABMO CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000004897093 206182066 /nfs/dbraw/zinc/18/20/66/206182066.db2.gz QPYHMAYKGWLLPN-UHFFFAOYSA-N 1 1 367.471 0.485 40 0 FCABMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000019929758 206328224 /nfs/dbraw/zinc/32/82/24/206328224.db2.gz DZASGHXFPPKDHN-UHFFFAOYSA-N 1 1 366.487 0.033 40 0 FCABMO CN(C)c1nc(N2CCO[C@H]3CN(C(=O)c4ccncc4)C[C@H]32)cc[nH+]1 ZINC000096248875 132224339 /nfs/dbraw/zinc/22/43/39/132224339.db2.gz HWLKRVUWJJEFCU-CABCVRRESA-N 1 1 354.414 0.667 40 0 FCABMO Cn1cc(CN2CCc3nc4n(c(=O)c3C2)CC[N@@H+](CC2CC2)CC4)cn1 ZINC000306128213 488893404 /nfs/dbraw/zinc/89/34/04/488893404.db2.gz GULIOELPSJOXNW-UHFFFAOYSA-N 1 1 368.485 0.803 40 0 FCABMO CCS(=O)(=O)NC[C@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1 ZINC000306127884 488893554 /nfs/dbraw/zinc/89/35/54/488893554.db2.gz GJVIKGOUDCZKTA-OAHLLOKOSA-N 1 1 356.492 0.681 40 0 FCABMO O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306139411 488894109 /nfs/dbraw/zinc/89/41/09/488894109.db2.gz SWOHFBWQSCKRHO-ZBFHGGJFSA-N 1 1 353.426 0.829 40 0 FCABMO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)n(C)n1 ZINC000306140536 488894785 /nfs/dbraw/zinc/89/47/85/488894785.db2.gz UWRHRZLSTPNJIU-QGPMSJSTSA-N 1 1 357.458 0.944 40 0 FCABMO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)n(C)n1 ZINC000306140536 488894787 /nfs/dbraw/zinc/89/47/87/488894787.db2.gz UWRHRZLSTPNJIU-QGPMSJSTSA-N 1 1 357.458 0.944 40 0 FCABMO Cc1cc(C)cc(C[N@@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(C)nc2CO3)c1 ZINC000306143447 488895265 /nfs/dbraw/zinc/89/52/65/488895265.db2.gz YCOVHXXXSVMSJM-IBGZPJMESA-N 1 1 356.426 0.734 40 0 FCABMO CC[NH+]1CCN(C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000022230750 487619822 /nfs/dbraw/zinc/61/98/22/487619822.db2.gz PCOJUPOQCBUJCF-UHFFFAOYSA-N 1 1 355.460 0.625 40 0 FCABMO CC(=O)Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000223407012 488448319 /nfs/dbraw/zinc/44/83/19/488448319.db2.gz NILRKGKYQTUDIG-SNVBAGLBSA-N 1 1 361.493 0.897 40 0 FCABMO CC(=O)Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000223407012 488448320 /nfs/dbraw/zinc/44/83/20/488448320.db2.gz NILRKGKYQTUDIG-SNVBAGLBSA-N 1 1 361.493 0.897 40 0 FCABMO CS(=O)(=O)CCC(=O)N1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1 ZINC000247499163 488486180 /nfs/dbraw/zinc/48/61/80/488486180.db2.gz DZFUPPIAIQAMAX-HNNXBMFYSA-N 1 1 354.476 0.687 40 0 FCABMO Cc1noc(C)c1C[N@H+]1C[C@@H]2COC[C@]2(CNS(=O)(=O)C2CC2)C1 ZINC000096108383 488489260 /nfs/dbraw/zinc/48/92/60/488489260.db2.gz NRGNACLRNZQRSM-CJNGLKHVSA-N 1 1 355.460 0.822 40 0 FCABMO Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(CNS(=O)(=O)C3CC3)C2)n1 ZINC000096207750 488490416 /nfs/dbraw/zinc/49/04/16/488490416.db2.gz AOHJUDMOCLFQHE-PBHICJAKSA-N 1 1 351.472 0.920 40 0 FCABMO CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(S(C)(=O)=O)CC3(C)C)C2)CC1 ZINC000253406496 488520080 /nfs/dbraw/zinc/52/00/80/488520080.db2.gz UQMUNHWYRYBNHU-INIZCTEOSA-N 1 1 372.535 0.037 40 0 biogenic,in-vitro FCABMO COCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O ZINC000257255894 488524222 /nfs/dbraw/zinc/52/42/22/488524222.db2.gz KJIOZSZTGXWRLY-IAGOWNOFSA-N 1 1 374.441 0.307 40 0 FCABMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O ZINC000257255894 488524224 /nfs/dbraw/zinc/52/42/24/488524224.db2.gz KJIOZSZTGXWRLY-IAGOWNOFSA-N 1 1 374.441 0.307 40 0 FCABMO Cc1ccc2nc(C(=O)N3CC[C@H](O)[C@@H]([NH+]4CCOCC4)CC3)cn2c1 ZINC000257249525 488524350 /nfs/dbraw/zinc/52/43/50/488524350.db2.gz JITQADCZPQLYSM-IRXDYDNUSA-N 1 1 358.442 0.940 40 0 FCABMO CCOc1ccc(C[N@H+]2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)cc1CO ZINC000257274147 488524602 /nfs/dbraw/zinc/52/46/02/488524602.db2.gz NJTITWUPBCDHGF-QZTJIDSGSA-N 1 1 352.431 0.011 40 0 FCABMO CC(=O)N1CCC([N@H+]2C[C@@H]3OCC(=O)N(C4CCOCC4)[C@H]3C2)CC1 ZINC000257277362 488524897 /nfs/dbraw/zinc/52/48/97/488524897.db2.gz NXRQOVKQLHGXSY-IRXDYDNUSA-N 1 1 351.447 0.088 40 0 FCABMO C[NH+]1CCN(C[C@]2(O)CCN(C(=O)CCc3cc(Cl)no3)C2)CC1 ZINC000257288263 488525342 /nfs/dbraw/zinc/52/53/42/488525342.db2.gz PTOFIQUECOOWNL-MRXNPFEDSA-N 1 1 356.854 0.471 40 0 FCABMO COCCNC(=O)N[C@H]1CO[C@@H](C[N@@H+](C)CCc2ccccc2)[C@@H]1O ZINC000514289039 490768706 /nfs/dbraw/zinc/76/87/06/490768706.db2.gz OPEUZBUKPAGART-YESZJQIVSA-N 1 1 351.447 0.235 40 0 biogenic,in-vitro FCABMO O=C(C[N@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCOCC1 ZINC000585272843 491720727 /nfs/dbraw/zinc/72/07/27/491720727.db2.gz RJWRHKAFAKDYRC-SFHVURJKSA-N 1 1 352.406 0.890 40 0 FCABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccc(F)cc2)C1)N1CCOCC1 ZINC000585272843 491720729 /nfs/dbraw/zinc/72/07/29/491720729.db2.gz RJWRHKAFAKDYRC-SFHVURJKSA-N 1 1 352.406 0.890 40 0 FCABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285339 491721352 /nfs/dbraw/zinc/72/13/52/491721352.db2.gz XRHJCEPAKZFXTK-INIZCTEOSA-N 1 1 357.451 0.149 40 0 FCABMO CC(C)[N@@H+](CCO)C[C@@]1(O)CN(C(=O)Cc2ccccc2)CC[C@@H]1O ZINC000585283648 491721457 /nfs/dbraw/zinc/72/14/57/491721457.db2.gz GIKHZCPKFAKPAC-PKOBYXMFSA-N 1 1 350.459 0.256 40 0 FCABMO CN1CCC[N@@H+](C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585284390 491721476 /nfs/dbraw/zinc/72/14/76/491721476.db2.gz KRLUCUXAJVOWCL-AZUAARDMSA-N 1 1 361.486 0.191 40 0 FCABMO C[N@@H+]1CCCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585284390 491721477 /nfs/dbraw/zinc/72/14/77/491721477.db2.gz KRLUCUXAJVOWCL-AZUAARDMSA-N 1 1 361.486 0.191 40 0 FCABMO C[N@H+]1CCCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585284390 491721478 /nfs/dbraw/zinc/72/14/78/491721478.db2.gz KRLUCUXAJVOWCL-AZUAARDMSA-N 1 1 361.486 0.191 40 0 FCABMO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccnc(N3CCOCC3)n2)[C@@H]1OC ZINC000585292120 491721821 /nfs/dbraw/zinc/72/18/21/491721821.db2.gz YHYRHKKHRSBKAW-OAGGEKHMSA-N 1 1 352.435 0.174 40 0 FCABMO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccnc(N3CCOCC3)n2)[C@@H]1OC ZINC000585292120 491721822 /nfs/dbraw/zinc/72/18/22/491721822.db2.gz YHYRHKKHRSBKAW-OAGGEKHMSA-N 1 1 352.435 0.174 40 0 FCABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000408625693 528583350 /nfs/dbraw/zinc/58/33/50/528583350.db2.gz UAVLYRBEHJMYRW-AWEZNQCLSA-N 1 1 369.487 0.916 40 0 FCABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000408616555 528583956 /nfs/dbraw/zinc/58/39/56/528583956.db2.gz AGSJJYOAHZSRKX-AWEZNQCLSA-N 1 1 369.487 0.835 40 0 FCABMO C[NH+]1CCN(c2ncc(NC(=O)CNC(=O)c3ccccc3)cn2)CC1 ZINC000224255443 536427344 /nfs/dbraw/zinc/42/73/44/536427344.db2.gz VOPWBHRXTOPYKD-UHFFFAOYSA-N 1 1 354.414 0.597 40 0 FCABMO CC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CCN12 ZINC001772595418 1180032371 /nfs/dbraw/zinc/03/23/71/1180032371.db2.gz UTAULTQKOZFBOP-GOSISDBHSA-N 1 1 356.470 0.983 40 0 FCABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C)[N@H+]2C)cc1 ZINC000035442421 204279487 /nfs/dbraw/zinc/27/94/87/204279487.db2.gz FSUAJYDIWQXNGZ-WDYCEAGBSA-N 1 1 374.485 0.595 40 0 biogenic,in-vitro FCABMO CCCCN1C(=O)[C@@H]2[C@@H]([C@@H](C)O)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000008972209 204349979 /nfs/dbraw/zinc/34/99/79/204349979.db2.gz DOMSBGXMTOVLON-HDUPCWOSSA-N 1 1 357.410 0.588 40 0 FCABMO Cn1cncc1C[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3ncccn3)CO2)C1 ZINC000107243656 206017954 /nfs/dbraw/zinc/01/79/54/206017954.db2.gz FTBQGUBZZMAKGK-MAUKXSAKSA-N 1 1 358.446 0.930 40 0 FCABMO Cn1cncc1C[N@H+]1CCOC[C@@]2(C[C@@H](CNc3ncccn3)CO2)C1 ZINC000107243656 206017959 /nfs/dbraw/zinc/01/79/59/206017959.db2.gz FTBQGUBZZMAKGK-MAUKXSAKSA-N 1 1 358.446 0.930 40 0 FCABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)C=C1NNC(=O)[C@H]2C=CC=C[C@H]12 ZINC000100767684 206225267 /nfs/dbraw/zinc/22/52/67/206225267.db2.gz KTADHUSRTUUTIQ-PMPSAXMXSA-N 1 1 359.474 0.363 40 0 FCABMO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000022587428 206380180 /nfs/dbraw/zinc/38/01/80/206380180.db2.gz WLZVVVYNUWCIER-QGZVFWFLSA-N 1 1 374.441 0.724 40 0 FCABMO C[NH+]1CCN(c2ncnc3c2CCN(C(=O)c2cscn2)CC3)CC1 ZINC000096255690 132224441 /nfs/dbraw/zinc/22/44/41/132224441.db2.gz KLTYYPBAMXZLNQ-UHFFFAOYSA-N 1 1 358.471 0.926 40 0 FCABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000409388831 230016743 /nfs/dbraw/zinc/01/67/43/230016743.db2.gz FOLARWBDTACZFM-GFCCVEGCSA-N 1 1 371.459 0.145 40 0 FCABMO Cn1cc(C[N@H+]2CC[C@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 ZINC000306125715 488893567 /nfs/dbraw/zinc/89/35/67/488893567.db2.gz CZJOFBKTEPHQPQ-SFHVURJKSA-N 1 1 366.429 0.320 40 0 FCABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cc1 ZINC000306126794 488893778 /nfs/dbraw/zinc/89/37/78/488893778.db2.gz FFKXDDFZBFKRKI-SFHVURJKSA-N 1 1 358.398 0.126 40 0 FCABMO CC(C)Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@@H+](Cc3ccco3)C1)OC2 ZINC000306128382 488894044 /nfs/dbraw/zinc/89/40/44/488894044.db2.gz GZAKSOSXHQWCLC-GOSISDBHSA-N 1 1 360.414 0.829 40 0 FCABMO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012366183 487552092 /nfs/dbraw/zinc/55/20/92/487552092.db2.gz HHYOVBCGCUVLRH-CABCVRRESA-N 1 1 352.456 0.773 40 0 FCABMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019462126 487603879 /nfs/dbraw/zinc/60/38/79/487603879.db2.gz GLECHDYOLKNDLW-FZMZJTMJSA-N 1 1 360.414 0.943 40 0 FCABMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019462126 487603882 /nfs/dbraw/zinc/60/38/82/487603882.db2.gz GLECHDYOLKNDLW-FZMZJTMJSA-N 1 1 360.414 0.943 40 0 FCABMO C[C@@H](CN1CCOCC1)C(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1 ZINC000019456272 487604384 /nfs/dbraw/zinc/60/43/84/487604384.db2.gz GBRTUDAWLIAJFG-JKSUJKDBSA-N 1 1 373.501 0.797 40 0 FCABMO CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]1C[N@@H+](C)CC2 ZINC000019713036 487607024 /nfs/dbraw/zinc/60/70/24/487607024.db2.gz ALQDGXUVAMGDDS-CZUORRHYSA-N 1 1 355.435 0.657 40 0 FCABMO C[NH+]1CCN(C(=O)C2CN(C(=O)CCN3CCc4ccccc43)C2)CC1 ZINC000019747420 487607255 /nfs/dbraw/zinc/60/72/55/487607255.db2.gz NAMZMBCBWCAISH-UHFFFAOYSA-N 1 1 356.470 0.672 40 0 FCABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2F)S(C)(=O)=O)CC1 ZINC000225405084 488450015 /nfs/dbraw/zinc/45/00/15/488450015.db2.gz YRGAGJISUMHHRH-UHFFFAOYSA-N 1 1 357.451 0.751 40 0 FCABMO CN(C)C(=O)COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(C)c21 ZINC000096044885 488488544 /nfs/dbraw/zinc/48/85/44/488488544.db2.gz UZHXFXBEYACRRR-OAHLLOKOSA-N 1 1 350.463 0.851 40 0 FCABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096055950 488488811 /nfs/dbraw/zinc/48/88/11/488488811.db2.gz NFYLJJQIXXZEAB-QAPCUYQASA-N 1 1 355.479 0.298 40 0 FCABMO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)COC)CCC2 ZINC000096055950 488488813 /nfs/dbraw/zinc/48/88/13/488488813.db2.gz NFYLJJQIXXZEAB-QAPCUYQASA-N 1 1 355.479 0.298 40 0 FCABMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000096050428 488488881 /nfs/dbraw/zinc/48/88/81/488488881.db2.gz UNIMDINCCLYIBW-LJQANCHMSA-N 1 1 368.441 0.655 40 0 FCABMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096050428 488488883 /nfs/dbraw/zinc/48/88/83/488488883.db2.gz UNIMDINCCLYIBW-LJQANCHMSA-N 1 1 368.441 0.655 40 0 FCABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@H]2N1S(C)(=O)=O ZINC000096182841 488490084 /nfs/dbraw/zinc/49/00/84/488490084.db2.gz RMUMAAKRBPONFD-OAGGEKHMSA-N 1 1 351.472 0.575 40 0 FCABMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cnccn1)CCC2 ZINC000096197560 488490247 /nfs/dbraw/zinc/49/02/47/488490247.db2.gz VYZZXGKQJFCNCY-UHFFFAOYSA-N 1 1 356.430 0.920 40 0 FCABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@@H]12 ZINC000248029462 488492646 /nfs/dbraw/zinc/49/26/46/488492646.db2.gz KTADHUSRTUUTIQ-BZUAXINKSA-N 1 1 359.474 0.363 40 0 FCABMO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cnc[nH]3)CC2)CC1 ZINC000257202946 488522975 /nfs/dbraw/zinc/52/29/75/488522975.db2.gz ANYVKRQQEBLNNL-SFHVURJKSA-N 1 1 363.462 0.367 40 0 FCABMO Cc1c(CCC(=O)N[C@@H]2CCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cnn1C ZINC000257292139 488525293 /nfs/dbraw/zinc/52/52/93/488525293.db2.gz QKDPNKQGMGHPNI-JFIYKMOQSA-N 1 1 350.463 0.392 40 0 FCABMO O=C(NC[C@@]1(O)COCC[N@@H+](Cc2cccc(O)c2)C1)c1ccccn1 ZINC000257298818 488525296 /nfs/dbraw/zinc/52/52/96/488525296.db2.gz RNKBHHVKRYPGGQ-IBGZPJMESA-N 1 1 357.410 0.781 40 0 FCABMO O=C(NC[C@@]1(O)COCC[N@H+](Cc2cccc(O)c2)C1)c1ccccn1 ZINC000257298818 488525297 /nfs/dbraw/zinc/52/52/97/488525297.db2.gz RNKBHHVKRYPGGQ-IBGZPJMESA-N 1 1 357.410 0.781 40 0 FCABMO COCC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](Cc1ccn(C)n1)CC2 ZINC000257311385 488525677 /nfs/dbraw/zinc/52/56/77/488525677.db2.gz UJEXOQGDHVZVJT-QGZVFWFLSA-N 1 1 350.463 0.632 40 0 FCABMO [NH3+]CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257323718 488525879 /nfs/dbraw/zinc/52/58/79/488525879.db2.gz WLOTXUUYYIPMCV-CMKODMSKSA-N 1 1 361.486 0.635 40 0 FCABMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257318929 488526076 /nfs/dbraw/zinc/52/60/76/488526076.db2.gz VPZKOQMSQSQEEE-SFHVURJKSA-N 1 1 357.414 0.381 40 0 FCABMO CC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000298076482 489286425 /nfs/dbraw/zinc/28/64/25/489286425.db2.gz NBUOMJXJRUSBKG-ZDUSSCGKSA-N 1 1 355.460 0.526 40 0 FCABMO CC(C)Oc1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000298110384 489292672 /nfs/dbraw/zinc/29/26/72/489292672.db2.gz PDGSMDNWRSMVMY-UHFFFAOYSA-N 1 1 363.458 0.929 40 0 FCABMO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)[N@@H+]2C1 ZINC000514290123 490768459 /nfs/dbraw/zinc/76/84/59/490768459.db2.gz UAHJNZLUOTXNJN-RBUKOAKNSA-N 1 1 358.486 0.566 40 0 biogenic,in-vitro FCABMO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCOCC4)C3)[N@H+]2C1 ZINC000514290123 490768461 /nfs/dbraw/zinc/76/84/61/490768461.db2.gz UAHJNZLUOTXNJN-RBUKOAKNSA-N 1 1 358.486 0.566 40 0 biogenic,in-vitro FCABMO C[N@@H+](CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)N2CCOCC2)[C@H]1O ZINC000514288805 490768766 /nfs/dbraw/zinc/76/87/66/490768766.db2.gz DKYHBTFIOFFNHR-OKZBNKHCSA-N 1 1 363.458 0.331 40 0 biogenic,in-vitro FCABMO Cn1ccc(CC(=O)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC000585110512 491719936 /nfs/dbraw/zinc/71/99/36/491719936.db2.gz VDGLCLGXAYUHOK-UHFFFAOYSA-N 1 1 369.473 0.132 40 0 FCABMO CC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1O ZINC000585274675 491720678 /nfs/dbraw/zinc/72/06/78/491720678.db2.gz ZHPWOHXZEQQWTP-BHIYHBOVSA-N 1 1 365.474 0.059 40 0 FCABMO CCOC(=O)N1CCC(O)(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)CC1 ZINC000585285343 491721484 /nfs/dbraw/zinc/72/14/84/491721484.db2.gz XRHJCEPAKZFXTK-MRXNPFEDSA-N 1 1 357.451 0.149 40 0 FCABMO CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408626206 528583850 /nfs/dbraw/zinc/58/38/50/528583850.db2.gz UWFFRCIDUBLCJZ-ZDUSSCGKSA-N 1 1 355.460 0.526 40 0 FCABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000105352587 206005697 /nfs/dbraw/zinc/00/56/97/206005697.db2.gz PJRFPGAZODKYNO-DBRNXYINSA-N 1 1 357.410 0.586 40 0 FCABMO CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc3c(c2)OCO3)[C@@H]1O ZINC000012483634 206292231 /nfs/dbraw/zinc/29/22/31/206292231.db2.gz OBXINIZUQJRJAV-HSFUPAIVSA-N 1 1 350.415 0.700 40 0 biogenic,in-vitro FCABMO NS(=O)(=O)c1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408611419 230013421 /nfs/dbraw/zinc/01/34/21/230013421.db2.gz WZAVGTRZTXCKLH-UHFFFAOYSA-N 1 1 355.460 0.105 40 0 FCABMO CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000007070670 487501921 /nfs/dbraw/zinc/50/19/21/487501921.db2.gz NXQGLKNFOCSBKU-CQSZACIVSA-N 1 1 369.487 0.916 40 0 FCABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3cnn(CC)c3)C2)O1 ZINC000306137009 488894122 /nfs/dbraw/zinc/89/41/22/488894122.db2.gz QIVHSWUIAWLHIF-WMZOPIPTSA-N 1 1 365.478 0.972 40 0 FCABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cnn(CC)c3)C2)O1 ZINC000306137009 488894124 /nfs/dbraw/zinc/89/41/24/488894124.db2.gz QIVHSWUIAWLHIF-WMZOPIPTSA-N 1 1 365.478 0.972 40 0 FCABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@H+](Cc3cccnc3)C1)C2 ZINC000306133271 488894423 /nfs/dbraw/zinc/89/44/23/488894423.db2.gz MHAPKLCSXLBMDO-IBGZPJMESA-N 1 1 369.425 0.385 40 0 FCABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3cccnc3)C1)C2 ZINC000306133271 488894427 /nfs/dbraw/zinc/89/44/27/488894427.db2.gz MHAPKLCSXLBMDO-IBGZPJMESA-N 1 1 369.425 0.385 40 0 FCABMO C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@H+]3CC[C@@H](OC1=O)[C@@H]23 ZINC000084811000 488451116 /nfs/dbraw/zinc/45/11/16/488451116.db2.gz BCJMNZRQJAVDLD-FXGRWVCYSA-N 1 1 351.399 0.165 40 0 biogenic,in-vitro FCABMO C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@H+]3CC[C@@H](OC1=O)[C@@H]23 ZINC000084811000 488451119 /nfs/dbraw/zinc/45/11/19/488451119.db2.gz BCJMNZRQJAVDLD-FXGRWVCYSA-N 1 1 351.399 0.165 40 0 biogenic,in-vitro FCABMO COc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)NS(C)(=O)=O)cc1 ZINC000225956914 488451385 /nfs/dbraw/zinc/45/13/85/488451385.db2.gz QMUVGCFOBXZBMY-OAHLLOKOSA-N 1 1 355.460 0.450 40 0 FCABMO O=C(NCc1cccnc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096082984 488489121 /nfs/dbraw/zinc/48/91/21/488489121.db2.gz VJHYAFUVVOHQCM-BRWVUGGUSA-N 1 1 363.483 0.843 40 0 FCABMO CN(C)C(=O)CN1CCOC[C@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096229418 488490700 /nfs/dbraw/zinc/49/07/00/488490700.db2.gz IRYCGDXRGHVXPZ-KRWDZBQOSA-N 1 1 353.488 0.740 40 0 FCABMO CN(C)C(=O)CN1CCOC[C@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096229418 488490701 /nfs/dbraw/zinc/49/07/01/488490701.db2.gz IRYCGDXRGHVXPZ-KRWDZBQOSA-N 1 1 353.488 0.740 40 0 FCABMO CN(C)C(=O)CN1CCOC[C@@]2(C[N@H+](Cc3cccs3)CCO2)C1 ZINC000096229419 488490730 /nfs/dbraw/zinc/49/07/30/488490730.db2.gz IRYCGDXRGHVXPZ-QGZVFWFLSA-N 1 1 353.488 0.740 40 0 FCABMO CN(C)C(=O)CN1CCOC[C@@]2(C[N@@H+](Cc3cccs3)CCO2)C1 ZINC000096229419 488490731 /nfs/dbraw/zinc/49/07/31/488490731.db2.gz IRYCGDXRGHVXPZ-QGZVFWFLSA-N 1 1 353.488 0.740 40 0 FCABMO CC(C)c1nnc(CCC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)o1 ZINC000257207639 488523259 /nfs/dbraw/zinc/52/32/59/488523259.db2.gz BIOOEJSDLHSZHB-KRWDZBQOSA-N 1 1 352.435 0.421 40 0 FCABMO CC(C)c1noc(CCC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)n1 ZINC000257217642 488523556 /nfs/dbraw/zinc/52/35/56/488523556.db2.gz CZXKXKXYMRKHKF-KRWDZBQOSA-N 1 1 352.435 0.421 40 0 FCABMO O=C(NC[C@]1(O)CC[N@H+](CCCc2ccccc2)C[C@H]1O)c1cnco1 ZINC000257250934 488524264 /nfs/dbraw/zinc/52/42/64/488524264.db2.gz JOQIXJJLFAOABU-IEBWSBKVSA-N 1 1 359.426 0.835 40 0 FCABMO O=C(CCOc1ccccc1F)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257270420 488524575 /nfs/dbraw/zinc/52/45/75/488524575.db2.gz MUDBCGHDBAGEDR-SFHVURJKSA-N 1 1 352.406 0.890 40 0 FCABMO Cc1nonc1CC(=O)N1CC[C@H](O)[C@@H]([N@@H+](C)C2CCOCC2)CC1 ZINC000257320408 488525686 /nfs/dbraw/zinc/52/56/86/488525686.db2.gz VWRIOKRIANJWHL-HOTGVXAUSA-N 1 1 352.435 0.383 40 0 FCABMO COCC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](Cc1ccn(C)n1)CC2 ZINC000257311384 488525763 /nfs/dbraw/zinc/52/57/63/488525763.db2.gz UJEXOQGDHVZVJT-KRWDZBQOSA-N 1 1 350.463 0.632 40 0 FCABMO O=C(CCn1cnc2ccccc21)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257320619 488526026 /nfs/dbraw/zinc/52/60/26/488526026.db2.gz VXOXBBUIXHJGSX-LJQANCHMSA-N 1 1 358.442 0.722 40 0 FCABMO O=C(N[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1O)c1ccn[nH]1 ZINC000257309489 488526115 /nfs/dbraw/zinc/52/61/15/488526115.db2.gz UBDOXOVGGGOPQI-CHWSQXEVSA-N 1 1 358.427 0.836 40 0 FCABMO O=C(N[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)C[C@H]1O)c1ccn[nH]1 ZINC000257309489 488526117 /nfs/dbraw/zinc/52/61/17/488526117.db2.gz UBDOXOVGGGOPQI-CHWSQXEVSA-N 1 1 358.427 0.836 40 0 FCABMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000133793597 488662194 /nfs/dbraw/zinc/66/21/94/488662194.db2.gz ZMFXKDSNIKHRBT-QZTJIDSGSA-N 1 1 371.485 0.970 40 0 FCABMO O=C1C[C@H]2[C@H](CC[N@@H+]2C[C@@H](O)CO)N1Cc1ccc(OC(F)F)cc1 ZINC000585109172 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362.474 0.733 40 0 FCABMO CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000333730949 215313743 /nfs/dbraw/zinc/31/37/43/215313743.db2.gz WBYJRKABSKVZTB-FGTMMUONSA-N 1 1 367.538 0.550 40 0 FCABMO Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000108525918 206033264 /nfs/dbraw/zinc/03/32/64/206033264.db2.gz AQXVAAWTGQLCNR-IRXDYDNUSA-N 1 1 356.430 0.634 40 0 FCABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1 ZINC000108525918 206033267 /nfs/dbraw/zinc/03/32/67/206033267.db2.gz AQXVAAWTGQLCNR-IRXDYDNUSA-N 1 1 356.430 0.634 40 0 FCABMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015957476 206317467 /nfs/dbraw/zinc/31/74/67/206317467.db2.gz FITUUBFJCVHWRH-ZXAXBQBASA-N 1 1 369.421 0.730 40 0 FCABMO CC(=O)N1CCC(Cc2cnc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cn2)CC1 ZINC000257203741 206597636 /nfs/dbraw/zinc/59/76/36/206597636.db2.gz ARLVMCZMPJOZTN-SFHVURJKSA-N 1 1 359.474 0.988 40 0 FCABMO 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C[NH+](C)CCNC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 ZINC000041070508 1245294350 /nfs/dbraw/zinc/29/43/50/1245294350.db2.gz IQDDDNXYEHNRSS-UHFFFAOYSA-N 1 1 363.443 0.030 40 0 FCABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3ocnc3C)[C@H]2O)CC1 ZINC000257339502 210002807 /nfs/dbraw/zinc/00/28/07/210002807.db2.gz ZBZVRDDYVJUYJE-RBSFLKMASA-N 1 1 350.419 0.159 40 0 FCABMO CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000107711855 209279575 /nfs/dbraw/zinc/27/95/75/209279575.db2.gz RARLMBGTZCGAGK-AEFFLSMTSA-N 1 1 350.463 0.896 40 0 FCABMO Cn1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)cn1 ZINC000096206470 209134560 /nfs/dbraw/zinc/13/45/60/209134560.db2.gz JCBKWLMQVGUSJG-GOEBONIOSA-N 1 1 354.476 0.625 40 0 FCABMO Cn1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)cn1 ZINC000096206470 209134562 /nfs/dbraw/zinc/13/45/62/209134562.db2.gz JCBKWLMQVGUSJG-GOEBONIOSA-N 1 1 354.476 0.625 40 0 FCABMO Cn1cc(C(=O)NCc2cc(=O)n3c(n2)C[N@H+](CC2CC2)CCC3)cn1 ZINC000096197667 209133440 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0.995 40 0 FCABMO C[NH+]1CCN(c2ncnc3c2CCN(C(=O)c2cccnc2)CC3)CC1 ZINC000096255694 132224601 /nfs/dbraw/zinc/22/46/01/132224601.db2.gz QPXKVANPCFUHDQ-UHFFFAOYSA-N 1 1 352.442 0.864 40 0 FCABMO Cc1c(C[N@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cnn1C ZINC000072335569 136144465 /nfs/dbraw/zinc/14/44/65/136144465.db2.gz DJBKKFHRKKCLDJ-CHWSQXEVSA-N 1 1 372.473 0.984 40 0 FCABMO Cc1c(C[N@@H+]2CCc3c(=O)[nH]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cnn1C ZINC000072335569 136144466 /nfs/dbraw/zinc/14/44/66/136144466.db2.gz DJBKKFHRKKCLDJ-CHWSQXEVSA-N 1 1 372.473 0.984 40 0 FCABMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)ccc1NS(C)(=O)=O ZINC000022822229 229148378 /nfs/dbraw/zinc/14/83/78/229148378.db2.gz MBEIRWLRGZYRST-UHFFFAOYSA-N 1 1 368.503 0.734 40 0 FCABMO COc1ncccc1C[N@@H+]1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC000306139936 488894623 /nfs/dbraw/zinc/89/46/23/488894623.db2.gz UEKPDPZBDDYIFS-BRWVUGGUSA-N 1 1 369.425 0.757 40 0 FCABMO COc1ncccc1C[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 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533376175 /nfs/dbraw/zinc/37/61/75/533376175.db2.gz CHUZTKIMIXGEQH-UHFFFAOYSA-N 1 1 369.487 0.287 40 0 FCABMO Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)N2CCOCC2)n1 ZINC000005541522 487489945 /nfs/dbraw/zinc/48/99/45/487489945.db2.gz VRJFRQWFKQLVPI-UHFFFAOYSA-N 1 1 351.476 0.488 40 0 FCABMO CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000007077709 487502075 /nfs/dbraw/zinc/50/20/75/487502075.db2.gz NXQGLKNFOCSBKU-AWEZNQCLSA-N 1 1 369.487 0.916 40 0 FCABMO Cn1cc(C[N@H+]2CC[C@@]3(CCn4c3nnc(-c3nccn3C)c4=O)C2)cn1 ZINC000306125714 488893693 /nfs/dbraw/zinc/89/36/93/488893693.db2.gz CZJOFBKTEPHQPQ-GOSISDBHSA-N 1 1 366.429 0.320 40 0 FCABMO Cn1cc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)cn1 ZINC000306142424 488894466 /nfs/dbraw/zinc/89/44/66/488894466.db2.gz WZEKLWVTUAKFEG-KBPBESRZSA-N 1 1 355.446 0.598 40 0 FCABMO COc1ccc(S(=O)(=O)N2CC[C@@]3(NC(C)=O)C[N@@H+](C)C[C@H]3C2)cc1 ZINC000019713091 487606815 /nfs/dbraw/zinc/60/68/15/487606815.db2.gz LMKOTRQWYPDWCZ-WMLDXEAASA-N 1 1 367.471 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biogenic,in-vitro FCABMO C/C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@H+]3CC[C@@H](OC1=O)[C@@H]23 ZINC000064512469 488313225 /nfs/dbraw/zinc/31/32/25/488313225.db2.gz BCJMNZRQJAVDLD-PSUHPXPKSA-N 1 1 351.399 0.165 40 0 biogenic,in-vitro FCABMO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](C(C)C)C3)C2=O)cc1 ZINC000225384130 488450010 /nfs/dbraw/zinc/45/00/10/488450010.db2.gz NZBYJINSDZQPPF-WBVHZDCISA-N 1 1 373.453 0.462 40 0 biogenic,in-vitro FCABMO COCCNC(=O)[C@H]1COC2(C[NH+](Cc3cccc4[nH]ccc43)C2)CN1C ZINC000247720769 488489654 /nfs/dbraw/zinc/48/96/54/488489654.db2.gz AMQGSBSXIFHBAX-GOSISDBHSA-N 1 1 372.469 0.816 40 0 FCABMO CCc1[nH]c(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)c(C)[nH+]1 ZINC000257223692 488523598 /nfs/dbraw/zinc/52/35/98/488523598.db2.gz DYNRTADYXRIWCK-HOCLYGCPSA-N 1 1 356.492 0.641 40 0 FCABMO C[NH+]1CCN(C[C@@]2(O)CCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000257257804 488524092 /nfs/dbraw/zinc/52/40/92/488524092.db2.gz KREALTIPHHWOHM-KRWDZBQOSA-N 1 1 353.488 0.201 40 0 FCABMO 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361.490 0.959 40 0 FCABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096036171 209096180 /nfs/dbraw/zinc/09/61/80/209096180.db2.gz HSCIHEPZDNYMLP-IBGZPJMESA-N 1 1 361.490 0.959 40 0 FCABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096036171 209096182 /nfs/dbraw/zinc/09/61/82/209096182.db2.gz HSCIHEPZDNYMLP-IBGZPJMESA-N 1 1 361.490 0.959 40 0 FCABMO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000408590938 230013358 /nfs/dbraw/zinc/01/33/58/230013358.db2.gz IBAOEOWBPDUFKQ-AWEZNQCLSA-N 1 1 355.460 0.192 40 0 FCABMO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000006326727 487494199 /nfs/dbraw/zinc/49/41/99/487494199.db2.gz LZPLMYTYWTWPQS-UHFFFAOYSA-N 1 1 369.487 0.774 40 0 FCABMO CC[NH+]1CCN(C(=O)CN(c2ccccc2OC)S(C)(=O)=O)CC1 ZINC000006953360 487500257 /nfs/dbraw/zinc/50/02/57/487500257.db2.gz XRYDXZZXJSLGOE-UHFFFAOYSA-N 1 1 355.460 0.625 40 0 FCABMO CCn1nc2n(c(=O)c1=O)C[C@H]1CC[N@H+](Cc3cccnc3OC)C[C@@H]21 ZINC000306140293 488894140 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488450859 /nfs/dbraw/zinc/45/08/59/488450859.db2.gz BEAOIFAEUMCYQF-UHFFFAOYSA-N 1 1 359.879 0.876 40 0 FCABMO O=S(=O)(NC[C@@H]1Cn2nccc2C[N@@H+](CC2CCOCC2)C1)C1CC1 ZINC000247351722 488485270 /nfs/dbraw/zinc/48/52/70/488485270.db2.gz WDVSZGLJMJFHKZ-HNNXBMFYSA-N 1 1 368.503 0.823 40 0 FCABMO CNC(=O)C1([N@H+]2CCC[C@H]2C(=O)N2CCN(C(C)=O)CC2)CCCCC1 ZINC000096113075 488489144 /nfs/dbraw/zinc/48/91/44/488489144.db2.gz GDCWIPSFDCQPFP-INIZCTEOSA-N 1 1 364.490 0.590 40 0 biogenic,in-vitro FCABMO Cc1ncc(CNS(=O)(=O)c2cn(C)cn2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257203244 488523060 /nfs/dbraw/zinc/52/30/60/488523060.db2.gz APEVTBLHEWIFHU-ZDUSSCGKSA-N 1 1 350.448 0.764 40 0 FCABMO Cc1ncc(CNS(=O)(=O)c2cn(C)cn2)c([C@@H]2CCC[N@H+]2C)n1 ZINC000257203244 488523061 /nfs/dbraw/zinc/52/30/61/488523061.db2.gz APEVTBLHEWIFHU-ZDUSSCGKSA-N 1 1 350.448 0.764 40 0 FCABMO CCCn1nc(C)c(C(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)c1C ZINC000257242155 488524297 /nfs/dbraw/zinc/52/42/97/488524297.db2.gz IBIDRFGYCGOBCD-SFHVURJKSA-N 1 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Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+](C)CCO ZINC000257324928 488525835 /nfs/dbraw/zinc/52/58/35/488525835.db2.gz WQUCMQLAIGHRCY-BGTYHANMSA-N 1 1 374.441 0.023 40 0 FCABMO CCc1[nH+]ccn1CCC(=O)N(C)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257310364 488525933 /nfs/dbraw/zinc/52/59/33/488525933.db2.gz UEUOVDUCFKLYQH-GOSISDBHSA-N 1 1 358.446 0.725 40 0 FCABMO CN([C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000260845691 488526637 /nfs/dbraw/zinc/52/66/37/488526637.db2.gz VWWKMOZSBMBVHG-INIZCTEOSA-N 1 1 369.487 0.458 40 0 FCABMO CC(=O)N1CCC(N2CC3(C2)C[N@@H+](CC(C)C)C[C@@H]2C[C@@H](O)CN23)CC1 ZINC000514288891 490768903 /nfs/dbraw/zinc/76/89/03/490768903.db2.gz GSQWHZLZQSWQDM-RBUKOAKNSA-N 1 1 364.534 0.459 40 0 biogenic,in-vitro FCABMO CCC(CC)C(=O)N[C@H]1CO[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)[C@@H]1O ZINC000514288344 490768937 /nfs/dbraw/zinc/76/89/37/490768937.db2.gz AEHJKTXHDXHRFM-YESZJQIVSA-N 1 1 355.479 0.221 40 0 biogenic,in-vitro FCABMO 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FCABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2N1S(C)(=O)=O ZINC000096182889 209131230 /nfs/dbraw/zinc/13/12/30/209131230.db2.gz VPTSHSIUDPMFHL-YUELXQCFSA-N 1 1 355.435 0.406 40 0 FCABMO Cn1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NS(=O)(=O)C2CC2)CCO3)cn1 ZINC000096107917 209112482 /nfs/dbraw/zinc/11/24/82/209112482.db2.gz JCBKWLMQVGUSJG-GDBMZVCRSA-N 1 1 354.476 0.625 40 0 FCABMO Cn1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NS(=O)(=O)C2CC2)CCO3)cn1 ZINC000096107917 209112483 /nfs/dbraw/zinc/11/24/83/209112483.db2.gz JCBKWLMQVGUSJG-GDBMZVCRSA-N 1 1 354.476 0.625 40 0 FCABMO COCC[N@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)c3ccnnc3)O2)C1 ZINC000096063497 209107275 /nfs/dbraw/zinc/10/72/75/209107275.db2.gz FRXVCEOXQZVENY-NVXWUHKLSA-N 1 1 350.419 0.103 40 0 FCABMO C[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)CC1 ZINC000040386188 208249134 /nfs/dbraw/zinc/24/91/34/208249134.db2.gz TUTIGWZAPSTJDC-MRXNPFEDSA-N 1 1 356.426 0.412 40 0 FCABMO O=C(NC1CCCCC1)NC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000004908497 487481910 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ZINC000257291006 223052068 /nfs/dbraw/zinc/05/20/68/223052068.db2.gz QFEVVKJATSJVSF-MJGOQNOKSA-N 1 1 357.410 0.428 40 0 FCABMO COc1ccccc1C[N@H+]1C[C@@H](O)[C@](O)(CNC(=O)c2ccccn2)C1 ZINC000257291006 223052071 /nfs/dbraw/zinc/05/20/71/223052071.db2.gz QFEVVKJATSJVSF-MJGOQNOKSA-N 1 1 357.410 0.428 40 0 FCABMO Cc1c(NC(=O)C[N@@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)cnn1C ZINC000257306888 223059188 /nfs/dbraw/zinc/05/91/88/223059188.db2.gz SWLMWMJFQQDXMR-GOSISDBHSA-N 1 1 356.430 0.581 40 0 FCABMO Cc1c(NC(=O)C[N@H+]2CCC[C@](C(N)=O)(c3ccccn3)C2)cnn1C ZINC000257306888 223059189 /nfs/dbraw/zinc/05/91/89/223059189.db2.gz SWLMWMJFQQDXMR-GOSISDBHSA-N 1 1 356.430 0.581 40 0 FCABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000022584687 211357353 /nfs/dbraw/zinc/35/73/53/211357353.db2.gz HGAVJENEOGOUSY-CQSZACIVSA-N 1 1 357.458 0.608 40 0 FCABMO C[N@H+]1CCc2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)ncc2C1 ZINC000019590485 211239524 /nfs/dbraw/zinc/23/95/24/211239524.db2.gz 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CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](Cc1cccnc1)C2 ZINC000096230561 222090963 /nfs/dbraw/zinc/09/09/63/222090963.db2.gz AELYRKVIOVDMMH-IBGZPJMESA-N 1 1 368.441 0.655 40 0 FCABMO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096230561 222090964 /nfs/dbraw/zinc/09/09/64/222090964.db2.gz AELYRKVIOVDMMH-IBGZPJMESA-N 1 1 368.441 0.655 40 0 FCABMO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000105352582 222368478 /nfs/dbraw/zinc/36/84/78/222368478.db2.gz PJRFPGAZODKYNO-GMNRXWLSSA-N 1 1 357.410 0.586 40 0 FCABMO COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCOCC1 ZINC000020503808 229148267 /nfs/dbraw/zinc/14/82/67/229148267.db2.gz CBWHGWZXBNXNQD-HRCADAONSA-N 1 1 356.536 0.140 40 0 biogenic,in-vitro FCABMO COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000408598005 230013191 /nfs/dbraw/zinc/01/31/91/230013191.db2.gz YRHPRQCOUQPAIH-CYBMUJFWSA-N 1 1 355.460 0.444 40 0 FCABMO 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CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2 ZINC000096197563 222073601 /nfs/dbraw/zinc/07/36/01/222073601.db2.gz JIVKPLFUKRNPAB-UHFFFAOYSA-N 1 1 354.476 0.781 40 0 FCABMO CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2ccccc2NC1=O ZINC000102856013 222310368 /nfs/dbraw/zinc/31/03/68/222310368.db2.gz AWHPEGKWPUMIRZ-LXPCDJKHSA-N 1 1 370.409 0.081 40 0 FCABMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000039986697 487809890 /nfs/dbraw/zinc/80/98/90/487809890.db2.gz BAOQGGNTQNOTJM-UHFFFAOYSA-N 1 1 369.487 0.918 40 0 FCABMO CN(C)S(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CC[N@@H+]2C ZINC000247972577 488492126 /nfs/dbraw/zinc/49/21/26/488492126.db2.gz VCUTYVSZHZMNOQ-HNNXBMFYSA-N 1 1 368.503 0.801 40 0 FCABMO CN(C)S(=O)(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CC[N@H+]2C ZINC000247972577 488492128 /nfs/dbraw/zinc/49/21/28/488492128.db2.gz VCUTYVSZHZMNOQ-HNNXBMFYSA-N 1 1 368.503 0.801 40 0 FCABMO CN(C)c1cc(N2CC3(C2)[C@@H](COCC2CC2)CCS3(=O)=O)nc[nH+]1 ZINC000248146790 488493812 /nfs/dbraw/zinc/49/38/12/488493812.db2.gz VZHBUZVUFUTDSY-CQSZACIVSA-N 1 1 366.487 0.963 40 0 FCABMO COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O ZINC000257266494 488524933 /nfs/dbraw/zinc/52/49/33/488524933.db2.gz MDGCSECNJZPXHM-SJLPKXTDSA-N 1 1 370.421 0.095 40 0 FCABMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000113957579 488539280 /nfs/dbraw/zinc/53/92/80/488539280.db2.gz BLZLNNSZICLLDQ-LLVKDONJSA-N 1 1 361.414 0.893 40 0 FCABMO CC(=O)N1CCC([N@H+]2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)CC1 ZINC000514289669 490768436 /nfs/dbraw/zinc/76/84/36/490768436.db2.gz NGMFHESOBFEZRW-ZBFHGGJFSA-N 1 1 365.455 0.421 40 0 biogenic,in-vitro FCABMO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cnccn2)CC1 ZINC000585106040 491719538 /nfs/dbraw/zinc/71/95/38/491719538.db2.gz GYXTWOITKKRLOF-CABCVRRESA-N 1 1 357.458 0.785 40 0 FCABMO Cn1ccc(CC(=O)N2Cc3nccn3C[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000585110685 491720155 /nfs/dbraw/zinc/72/01/55/491720155.db2.gz 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NC(=O)[C@H]1C[NH2+]CCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 ZINC000257266651 534462536 /nfs/dbraw/zinc/46/25/36/534462536.db2.gz MDXJUCOHFIXYIW-LLVKDONJSA-N 1 1 359.352 0.066 40 0 FCABMO CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccccn2)[C@@H]1O ZINC000020463998 522964455 /nfs/dbraw/zinc/96/44/55/522964455.db2.gz FQKVWTWSJDYEOT-LTFPLMDUSA-N 1 1 370.453 0.594 40 0 biogenic,in-vitro FCABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3cscn3)CC[C@@H]2O)CC1 ZINC000257297277 526633162 /nfs/dbraw/zinc/63/31/62/526633162.db2.gz RGOWSUDHARQFDH-GJZGRUSLSA-N 1 1 352.460 0.273 40 0 FCABMO Cc1[nH+]ccn1CCC(=O)N1CCCC[C@H]1CCNS(=O)(=O)N(C)C ZINC000019745803 527390732 /nfs/dbraw/zinc/39/07/32/527390732.db2.gz FRTRXGJKMUWTAL-HNNXBMFYSA-N 1 1 371.507 0.749 40 0 FCABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)CNC(C)=O)CC1 ZINC000257314505 528862236 /nfs/dbraw/zinc/86/22/36/528862236.db2.gz UXGVFGQOFZXZQH-IBGZPJMESA-N 1 1 362.474 0.783 40 0 FCABMO C[N@@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000257290604 529920433 /nfs/dbraw/zinc/92/04/33/529920433.db2.gz QDOGWJKNDMAWIG-WCVJEAGWSA-N 1 1 360.414 0.013 40 0 FCABMO CCn1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)cn1 ZINC000306130952 210051996 /nfs/dbraw/zinc/05/19/96/210051996.db2.gz JTHCCUZCVCGYPZ-ZMSDIMECSA-N 1 1 358.446 0.513 40 0 FCABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cc1 ZINC000306126793 210048953 /nfs/dbraw/zinc/04/89/53/210048953.db2.gz FFKXDDFZBFKRKI-GOSISDBHSA-N 1 1 358.398 0.126 40 0 FCABMO O=C(CN1CCCCCC1=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257236282 223031454 /nfs/dbraw/zinc/03/14/54/223031454.db2.gz HBLRYFBFZWAEDD-IIDMSEBBSA-N 1 1 353.463 0.119 40 0 FCABMO CN(C)Cc1c[nH]c([C@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000257248745 223036557 /nfs/dbraw/zinc/03/65/57/223036557.db2.gz JEZWBYOECATWFR-ZDUSSCGKSA-N 1 1 355.508 0.685 40 0 FCABMO Cc1nc2ccccn2c1CC(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C1 ZINC000257268011 223044450 /nfs/dbraw/zinc/04/44/50/223044450.db2.gz MJWIYDCEJOVQGW-IBGZPJMESA-N 1 1 358.442 0.481 40 0 FCABMO O=C(CN1CCCC1=O)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257313477 223061562 /nfs/dbraw/zinc/06/15/62/223061562.db2.gz USQZRTMEYSJXHS-FQEVSTJZSA-N 1 1 357.454 0.631 40 0 FCABMO COc1ncccc1C[NH2+][C@@H]1CCOC[C@@]12CC(C(=O)NC1CC1)=NO2 ZINC000306136156 223111756 /nfs/dbraw/zinc/11/17/56/223111756.db2.gz PLBASBYYAKEPMQ-QAPCUYQASA-N 1 1 360.414 0.762 40 0 FCABMO CC1CC[NH+](CC(=O)Nc2cnn(CC(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000019746382 211253436 /nfs/dbraw/zinc/25/34/36/211253436.db2.gz FDKDNCPBGKRGDO-MRXNPFEDSA-N 1 1 363.462 0.849 40 0 FCABMO Cn1cccc1C(=O)N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC000096255692 132224551 /nfs/dbraw/zinc/22/45/51/132224551.db2.gz LDJXOYATDBTFOG-UHFFFAOYSA-N 1 1 354.458 0.808 40 0 FCABMO C[N@H+](Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(S(C)(=O)=O)C2)O1 ZINC000096063515 222008791 /nfs/dbraw/zinc/00/87/91/222008791.db2.gz KZMMMDYVLQOXMA-HZPDHXFCSA-N 1 1 358.460 0.921 40 0 FCABMO O=C(c1cnn2cccnc12)N1CCO[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096076634 222014486 /nfs/dbraw/zinc/01/44/86/222014486.db2.gz OIZTUKHWGJKGLH-IBGZPJMESA-N 1 1 371.441 0.683 40 0 FCABMO Cn1cnc2c1C[C@H](C(=O)N1CC[NH+](C)CC1)C(=O)N2Cc1ccccc1 ZINC000096147061 222048439 /nfs/dbraw/zinc/04/84/39/222048439.db2.gz NNTWCQGRFYBXOA-MRXNPFEDSA-N 1 1 367.453 0.900 40 0 FCABMO COC[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)N1S(C)(=O)=O ZINC000096209533 222079167 /nfs/dbraw/zinc/07/91/67/222079167.db2.gz LMLBVMCLUPUIGE-HNNXBMFYSA-N 1 1 356.492 0.825 40 0 FCABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@H]2[C@H]1CC=CCC1 ZINC000009289576 487525736 /nfs/dbraw/zinc/52/57/36/487525736.db2.gz KGWUXHJYMMWTBP-DOTOQJQBSA-N 1 1 372.473 0.798 40 0 FCABMO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000012366182 487552823 /nfs/dbraw/zinc/55/28/23/487552823.db2.gz HHYOVBCGCUVLRH-HUUCEWRRSA-N 1 1 352.456 0.773 40 0 FCABMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)cccc1N(C)S(C)(=O)=O ZINC000222436350 488446606 /nfs/dbraw/zinc/44/66/06/488446606.db2.gz YNSFKQPTIWFHRK-UHFFFAOYSA-N 1 1 369.487 0.843 40 0 FCABMO CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@@H]2CC[N@H+]3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000086053359 488452469 /nfs/dbraw/zinc/45/24/69/488452469.db2.gz ZVBPCOQJPAOXMI-HMEHDPIBSA-N 1 1 367.398 0.178 40 0 FCABMO CS(=O)(=O)CCC(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1 ZINC000247499170 488486149 /nfs/dbraw/zinc/48/61/49/488486149.db2.gz DZFUPPIAIQAMAX-OAHLLOKOSA-N 1 1 354.476 0.687 40 0 FCABMO CCOC(=O)[C@@]12C[N@@H+](C)C[C@@H]1CN(C(=O)Cc1nc(C)no1)CCC2 ZINC000585108138 491719567 /nfs/dbraw/zinc/71/95/67/491719567.db2.gz AIXQMHLEMOYPPS-DYVFJYSZSA-N 1 1 350.419 0.654 40 0 FCABMO O[C@H]1C[N@@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000585270038 491720791 /nfs/dbraw/zinc/72/07/91/491720791.db2.gz CJBCQQKLPQFOSQ-PMACEKPBSA-N 1 1 372.469 0.839 40 0 FCABMO CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1O ZINC000585280261 491721019 /nfs/dbraw/zinc/72/10/19/491721019.db2.gz LFEYNICUERXCRM-QRVBRYPASA-N 1 1 359.470 0.949 40 0 FCABMO CC(C)[N@@H+](CCO)C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O ZINC000585284600 491721500 /nfs/dbraw/zinc/72/15/00/491721500.db2.gz MBZCFHAFHGXETQ-AZUAARDMSA-N 1 1 364.486 0.646 40 0 FCABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cnn(CC)c3)C2)O1 ZINC000306137007 528179730 /nfs/dbraw/zinc/17/97/30/528179730.db2.gz QIVHSWUIAWLHIF-FUHWJXTLSA-N 1 1 365.478 0.972 40 0 FCABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cnn(CC)c3)C2)O1 ZINC000306137007 528179735 /nfs/dbraw/zinc/17/97/35/528179735.db2.gz QIVHSWUIAWLHIF-FUHWJXTLSA-N 1 1 365.478 0.972 40 0 FCABMO CC[C@@H]1CN(C(=O)c2cc(C)n(C)n2)[C@H](CO)[C@@H]1CN1CC[NH+](C)CC1 ZINC001772594946 1179981912 /nfs/dbraw/zinc/98/19/12/1179981912.db2.gz JKTBPEMABYEYIC-JFIYKMOQSA-N 1 1 363.506 0.435 40 0 FCABMO CCc1ccc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C(C)=O)CC3)C2)cc1 ZINC000257220770 529600856 /nfs/dbraw/zinc/60/08/56/529600856.db2.gz DMBQNEDCJABLFL-FQEVSTJZSA-N 1 1 359.470 0.990 40 0 FCABMO COc1ncccc1C[NH2+][C@H]1CCOC[C@]12CC(C(=O)NC1CC1)=NO2 ZINC000306136155 210056417 /nfs/dbraw/zinc/05/64/17/210056417.db2.gz PLBASBYYAKEPMQ-MAUKXSAKSA-N 1 1 360.414 0.762 40 0 FCABMO C[NH+](C)CCNC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306138969 210055956 /nfs/dbraw/zinc/05/59/56/210055956.db2.gz SLYHQMJZOCCKOW-HUUCEWRRSA-N 1 1 374.514 0.935 40 0 FCABMO O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131749 210054288 /nfs/dbraw/zinc/05/42/88/210054288.db2.gz KOSSYKBARAHEOB-HOTGVXAUSA-N 1 1 353.426 0.829 40 0 FCABMO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]21 ZINC000012530387 291028194 /nfs/dbraw/zinc/02/81/94/291028194.db2.gz OFFANBXDGLSLIX-BBWFWOEESA-N 1 1 372.469 0.663 40 0 biogenic,in-vitro FCABMO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]21 ZINC000012530387 291028195 /nfs/dbraw/zinc/02/81/95/291028195.db2.gz OFFANBXDGLSLIX-BBWFWOEESA-N 1 1 372.469 0.663 40 0 biogenic,in-vitro FCABMO CN(C)S(=O)(=O)N1CC[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)CC1 ZINC000257217157 223024032 /nfs/dbraw/zinc/02/40/32/223024032.db2.gz CXTYCDWASFMYQL-IRXDYDNUSA-N 1 1 353.488 0.676 40 0 FCABMO COCCN1C(=O)CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000257223287 223026004 /nfs/dbraw/zinc/02/60/04/223026004.db2.gz DWQZZVHSIGJVKZ-JKSUJKDBSA-N 1 1 353.463 0.195 40 0 FCABMO O=C(CCn1cnnn1)N1CC[C@](O)(C[N@H+]2CCc3ccccc3C2)C1 ZINC000257232835 223031002 /nfs/dbraw/zinc/03/10/02/223031002.db2.gz GMPZZYQHXBPLHG-SFHVURJKSA-N 1 1 356.430 0.085 40 0 FCABMO O=C(CCn1ncc2ccccc21)N1CC[C@@](O)(C[NH+]2CCOCC2)C1 ZINC000257292837 223054038 /nfs/dbraw/zinc/05/40/38/223054038.db2.gz QNDSFGIAWUEVEK-LJQANCHMSA-N 1 1 358.442 0.722 40 0 FCABMO O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)c1cnn2cccnc12 ZINC000257316665 223063210 /nfs/dbraw/zinc/06/32/10/223063210.db2.gz VGNBZMFIZXHGRR-BZUAXINKSA-N 1 1 359.430 0.463 40 0 FCABMO CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)C3CC3)C[N@@H+]21 ZINC000012530578 220002558 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/nfs/dbraw/zinc/72/07/65/491720765.db2.gz LNWMDOKPCXZTFW-GOSISDBHSA-N 1 1 351.422 0.795 40 0 FCABMO CNC(=O)CC[C@]1(O)CCC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000585278090 491720767 /nfs/dbraw/zinc/72/07/67/491720767.db2.gz LNWMDOKPCXZTFW-GOSISDBHSA-N 1 1 351.422 0.795 40 0 FCABMO OC1(C[N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCOCC1 ZINC000585284105 491721334 /nfs/dbraw/zinc/72/13/34/491721334.db2.gz UZTYBQHMVPGUQI-SFHVURJKSA-N 1 1 373.396 0.948 40 0 FCABMO CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC000585283393 491721487 /nfs/dbraw/zinc/72/14/87/491721487.db2.gz NZWJRNJCNBTEGC-CQSZACIVSA-N 1 1 361.508 0.011 40 0 FCABMO Cc1ccc2nc(C(=O)N[C@@H]3CCC[C@@H]([NH+]4CCOCC4)[C@@H]3O)cn2c1 ZINC000257243329 534490206 /nfs/dbraw/zinc/49/02/06/534490206.db2.gz IGKOHCSMAMRLAC-QGPMSJSTSA-N 1 1 358.442 0.987 40 0 FCABMO CC(=O)N1CCC(c2nnc3n2C[C@@H](C(=O)N2CC[NH+](C)CC2)CC3)CC1 ZINC000306126175 526547776 /nfs/dbraw/zinc/54/77/76/526547776.db2.gz DOWGMXHYFUMMCQ-INIZCTEOSA-N 1 1 374.489 0.340 40 0 FCABMO CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](NC(=O)c3ccc(C)s3)[C@H]2O)CC1 ZINC000257288378 526633048 /nfs/dbraw/zinc/63/30/48/526633048.db2.gz PTZIFXNYTXNHMN-IIAWOOMASA-N 1 1 351.472 0.842 40 0 FCABMO CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000408625701 528585303 /nfs/dbraw/zinc/58/53/03/528585303.db2.gz UAVLYRBEHJMYRW-CQSZACIVSA-N 1 1 369.487 0.916 40 0 FCABMO C[NH+]1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cnc4ccccc43)[C@H]2O)CC1 ZINC000952844890 1206207729 /nfs/dbraw/zinc/20/77/29/1206207729.db2.gz RIHLWYANEXBGSH-IEWDOMPSSA-N 1 1 358.442 0.746 40 0 biogenic,in-vitro FCABMO O[C@H]1CO[C@H](Cn2cc(-c3cccc(F)c3)nn2)[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC001549161323 1267842405 /nfs/dbraw/zinc/84/24/05/1267842405.db2.gz KBMIASVYVWXPEM-ZMSDIMECSA-N 1 1 358.377 0.725 40 0 FCABMO CCc1[nH+]ccn1CCC(=O)N(C)C[C@]1(O)CCN(c2cnccn2)C1 ZINC000257263931 529759829 /nfs/dbraw/zinc/75/98/29/529759829.db2.gz LSCMOHMFGGJVEW-GOSISDBHSA-N 1 1 358.446 0.725 40 0 FCABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccn(C)n1 ZINC000257294746 529928587 /nfs/dbraw/zinc/92/85/87/529928587.db2.gz QVNLEDFDAMGGTP-MRXNPFEDSA-N 1 1 370.457 0.291 40 0 FCABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccn(C)n1 ZINC000257294746 529928588 /nfs/dbraw/zinc/92/85/88/529928588.db2.gz QVNLEDFDAMGGTP-MRXNPFEDSA-N 1 1 370.457 0.291 40 0 FCABMO CN(C(=O)c1ccc2c(c1)ncn2C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257211530 223021883 /nfs/dbraw/zinc/02/18/83/223021883.db2.gz BZFWWHSFAWXRGX-KZNAEPCWSA-N 1 1 358.442 0.869 40 0 FCABMO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257222366 223026602 /nfs/dbraw/zinc/02/66/02/223026602.db2.gz DTAVGBNESOLHTP-HNNXBMFYSA-N 1 1 360.458 0.822 40 0 FCABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257222366 223026604 /nfs/dbraw/zinc/02/66/04/223026604.db2.gz DTAVGBNESOLHTP-HNNXBMFYSA-N 1 1 360.458 0.822 40 0 FCABMO O=C(C[N@H+]1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1)N1CCOCC1 ZINC000257222022 223027072 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FCABMO CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257330767 223068100 /nfs/dbraw/zinc/06/81/00/223068100.db2.gz XPWLUBMWCMGIPO-ZHALLVOQSA-N 1 1 358.442 0.719 40 0 FCABMO Cn1cc(C[N@H+]2CC[C@]3(C2)CCn2ncnc2[C@H]3NC(=O)C2CC2)cn1 ZINC000306124776 223106881 /nfs/dbraw/zinc/10/68/81/223106881.db2.gz BZHFUKZXAYUEQR-CRAIPNDOSA-N 1 1 355.446 0.875 40 0 FCABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@H+](Cc3ccccn3)C1)C2 ZINC000306138754 223111774 /nfs/dbraw/zinc/11/17/74/223111774.db2.gz SGIQKDJDZTZDEI-IBGZPJMESA-N 1 1 369.425 0.385 40 0 FCABMO O=c1c(=O)n2c(nn1CC1CC1)CO[C@]1(CC[N@@H+](Cc3ccccn3)C1)C2 ZINC000306138754 223111776 /nfs/dbraw/zinc/11/17/76/223111776.db2.gz SGIQKDJDZTZDEI-IBGZPJMESA-N 1 1 369.425 0.385 40 0 FCABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1C ZINC000408598006 533065152 /nfs/dbraw/zinc/06/51/52/533065152.db2.gz YRHPRQCOUQPAIH-ZDUSSCGKSA-N 1 1 355.460 0.444 40 0 FCABMO Cc1cc(NC(=O)Cn2cccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2=O)no1 ZINC000019750129 220293999 /nfs/dbraw/zinc/29/39/99/220293999.db2.gz OUMUBGYXMBUCHN-CYBMUJFWSA-N 1 1 373.413 0.607 40 0 FCABMO COCC[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1 ZINC000019749484 220294072 /nfs/dbraw/zinc/29/40/72/220294072.db2.gz QSEYZYXVNZZUFT-UHFFFAOYSA-N 1 1 372.429 0.321 40 0 FCABMO COc1ccc(CC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)cc1F ZINC000257227194 533442074 /nfs/dbraw/zinc/44/20/74/533442074.db2.gz FOBGUQFPVSZZQM-SFHVURJKSA-N 1 1 352.406 0.672 40 0 FCABMO COc1cccc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)c1 ZINC000257344967 533486431 /nfs/dbraw/zinc/48/64/31/533486431.db2.gz ZZKJTUIJTTWNJN-MJGOQNOKSA-N 1 1 357.410 0.428 40 0 FCABMO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@@H+](CC1CCOCC1)C2 ZINC000096051354 132217854 /nfs/dbraw/zinc/21/78/54/132217854.db2.gz OHZDOIALBUDOSS-LJQANCHMSA-N 1 1 361.442 0.942 40 0 FCABMO Cc1noc(C)c1C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cc[nH+]c(N(C)C)n1 ZINC000096248878 132224372 /nfs/dbraw/zinc/22/43/72/132224372.db2.gz OTDRURWFENWADF-KGLIPLIRSA-N 1 1 372.429 0.877 40 0 FCABMO CNC(=O)[C@@H](C1CCCCC1)[N@H+]1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000096112993 222030898 /nfs/dbraw/zinc/03/08/98/222030898.db2.gz PKQJTWNRVQAHPA-DLBZAZTESA-N 1 1 350.507 0.920 40 0 biogenic,in-vitro FCABMO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)cc1 ZINC000096054222 222002606 /nfs/dbraw/zinc/00/26/06/222002606.db2.gz NHHJMZUOPCCOEU-YSIASYRMSA-N 1 1 372.513 0.974 40 0 FCABMO COc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)[N@H+](C)[C@@H]3C2)cc1 ZINC000096054222 222002610 /nfs/dbraw/zinc/00/26/10/222002610.db2.gz NHHJMZUOPCCOEU-YSIASYRMSA-N 1 1 372.513 0.974 40 0 FCABMO COc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)[N@@H+](C)[C@@H]3C2)cc1 ZINC000096054222 222002613 /nfs/dbraw/zinc/00/26/13/222002613.db2.gz NHHJMZUOPCCOEU-YSIASYRMSA-N 1 1 372.513 0.974 40 0 FCABMO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(S(C)(=O)=O)CCC2 ZINC000096083034 222016397 /nfs/dbraw/zinc/01/63/97/222016397.db2.gz YSLLECGCLDAFAM-ZBFHGGJFSA-N 1 1 361.508 0.085 40 0 FCABMO CCOC(=O)[C@@]12C[N@@H+](CCN(C)C)C[C@@H]1CN(S(C)(=O)=O)CCC2 ZINC000096083034 222016398 /nfs/dbraw/zinc/01/63/98/222016398.db2.gz YSLLECGCLDAFAM-ZBFHGGJFSA-N 1 1 361.508 0.085 40 0 FCABMO O=c1cc(CNS(=O)(=O)C2CC2)nc2n1CCC[N@H+](CC1CC1)C2 ZINC000096197621 222073300 /nfs/dbraw/zinc/07/33/00/222073300.db2.gz SGMRSYGKZZTMSZ-UHFFFAOYSA-N 1 1 352.460 0.441 40 0 FCABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009289579 487525790 /nfs/dbraw/zinc/52/57/90/487525790.db2.gz KGWUXHJYMMWTBP-WBVHZDCISA-N 1 1 372.473 0.798 40 0 FCABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009289584 487524823 /nfs/dbraw/zinc/52/48/23/487524823.db2.gz KGWUXHJYMMWTBP-NVXWUHKLSA-N 1 1 372.473 0.798 40 0 FCABMO Cc1cc(=O)n2c(n1)NC(N1CC[NH+](CCO)CC1)=N[C@@H]2c1ccccc1 ZINC000009289448 487525534 /nfs/dbraw/zinc/52/55/34/487525534.db2.gz FXDWGPATBRLDRA-KRWDZBQOSA-N 1 1 368.441 0.490 40 0 FCABMO CCn1cc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cn1 ZINC000019524992 487604545 /nfs/dbraw/zinc/60/45/45/487604545.db2.gz WFADINPYCGUDQI-UHFFFAOYSA-N 1 1 358.446 0.836 40 0 FCABMO CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(C)c(F)c3)C[C@H]1C[N@@H+](C)CC2 ZINC000019713407 487606335 /nfs/dbraw/zinc/60/63/35/487606335.db2.gz NYPRWXRHWWZXER-RHSMWYFYSA-N 1 1 369.462 0.965 40 0 FCABMO CC(=O)N[C@]12CN(C(=O)c3ccc4c(c3)OCCO4)C[C@H]1C[N@@H+](C)CC2 ZINC000019713024 487607039 /nfs/dbraw/zinc/60/70/39/487607039.db2.gz UNJXRVUQMNYCNK-DNVCBOLYSA-N 1 1 359.426 0.740 40 0 FCABMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000035485408 487796862 /nfs/dbraw/zinc/79/68/62/487796862.db2.gz PJRFPGAZODKYNO-HGLVMOSISA-N 1 1 357.410 0.586 40 0 FCABMO C[NH+]1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000044843120 487924320 /nfs/dbraw/zinc/92/43/20/487924320.db2.gz OELZXTIIKHVMCF-UHFFFAOYSA-N 1 1 367.471 0.236 40 0 FCABMO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000058046756 488278854 /nfs/dbraw/zinc/27/88/54/488278854.db2.gz 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