smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)C(=O)CC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190492766 178004549 /nfs/dbraw/zinc/00/45/49/178004549.db2.gz GZWPVFDMDXMYLK-MRXNPFEDSA-N 1 1 355.523 1.983 10 0 FDAEMO CC(C)NC(=O)CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190689883 178016205 /nfs/dbraw/zinc/01/62/05/178016205.db2.gz JZIMHRZMEWNHAS-KRWDZBQOSA-N 1 1 361.490 1.460 10 0 FDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CCOC ZINC000190989398 178034560 /nfs/dbraw/zinc/03/45/60/178034560.db2.gz RBXOHRSKPLXYMA-IAGOWNOFSA-N 1 1 359.470 1.899 10 0 FDAEMO CCn1cc([C@H]2CN(C(=O)CCCC[NH+]3CCOCC3)CCO2)cn1 ZINC000191774629 178069636 /nfs/dbraw/zinc/06/96/36/178069636.db2.gz JROVGUWHCQRIBS-QGZVFWFLSA-N 1 1 350.463 1.305 10 0 FDAEMO Cc1cc(C)n(CC(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191908139 178077092 /nfs/dbraw/zinc/07/70/92/178077092.db2.gz YMKLFCVFHBNNTF-UHFFFAOYSA-N 1 1 364.490 1.764 10 0 FDAEMO Cc1cc(C)n(CC(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191908139 178077093 /nfs/dbraw/zinc/07/70/93/178077093.db2.gz YMKLFCVFHBNNTF-UHFFFAOYSA-N 1 1 364.490 1.764 10 0 FDAEMO CC[C@@H](C(=O)OC(C)(C)C)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000192002202 178081997 /nfs/dbraw/zinc/08/19/97/178081997.db2.gz OGGTZLUTOPMUKE-ROUUACIJSA-N 1 1 369.550 1.834 10 0 FDAEMO Cc1noc2ncnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)c12 ZINC000192451335 178114936 /nfs/dbraw/zinc/11/49/36/178114936.db2.gz CLWIKDBFUYMHBH-HNNXBMFYSA-N 1 1 360.462 1.157 10 0 FDAEMO CCCCOC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000193370074 178159638 /nfs/dbraw/zinc/15/96/38/178159638.db2.gz XALFOBXFDXAIRO-QGZVFWFLSA-N 1 1 350.459 1.631 10 0 FDAEMO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1CC ZINC000193471998 178165119 /nfs/dbraw/zinc/16/51/19/178165119.db2.gz GMCQLWULRDOXJT-AWEZNQCLSA-N 1 1 368.865 1.633 10 0 FDAEMO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C[C@@H]1CC ZINC000193471998 178165121 /nfs/dbraw/zinc/16/51/21/178165121.db2.gz GMCQLWULRDOXJT-AWEZNQCLSA-N 1 1 368.865 1.633 10 0 FDAEMO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000193458035 178163863 /nfs/dbraw/zinc/16/38/63/178163863.db2.gz LHZXPVUEDQSWOV-GFCCVEGCSA-N 1 1 367.247 1.479 10 0 FDAEMO O=C(Nc1ccc(Br)cn1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000193458035 178163865 /nfs/dbraw/zinc/16/38/65/178163865.db2.gz LHZXPVUEDQSWOV-GFCCVEGCSA-N 1 1 367.247 1.479 10 0 FDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3ccnc(F)c3F)CC2)C1 ZINC000193561046 178169055 /nfs/dbraw/zinc/16/90/55/178169055.db2.gz OHHVAEZOZUACKV-CQSZACIVSA-N 1 1 368.428 1.227 10 0 FDAEMO O=C(CSCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000195311963 178255311 /nfs/dbraw/zinc/25/53/11/178255311.db2.gz KYZIAQXHCRPCPX-OAHLLOKOSA-N 1 1 351.447 1.804 10 0 FDAEMO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000195314219 178255676 /nfs/dbraw/zinc/25/56/76/178255676.db2.gz AQRAPDIUXPKRPZ-MRXNPFEDSA-N 1 1 365.499 1.637 10 0 FDAEMO Cc1sc2nc(CCC(=O)N3CC[N@H+]4CCC[C@@H]4C3)[nH]c(=O)c2c1C ZINC000195338428 178259385 /nfs/dbraw/zinc/25/93/85/178259385.db2.gz NYKFTIAFGKNZPO-CYBMUJFWSA-N 1 1 360.483 1.841 10 0 FDAEMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195503196 178267175 /nfs/dbraw/zinc/26/71/75/178267175.db2.gz FRPNTHIRSXJOPX-CYBMUJFWSA-N 1 1 355.442 1.726 10 0 FDAEMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H](C)c3cccnc3)CC2)C1 ZINC000245461262 178360744 /nfs/dbraw/zinc/36/07/44/178360744.db2.gz MUYHKVXJDGWQQH-MJGOQNOKSA-N 1 1 360.502 1.439 10 0 FDAEMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245754412 178379581 /nfs/dbraw/zinc/37/95/81/178379581.db2.gz YDCNHLLDILRFHH-BFQNTYOBSA-N 1 1 353.825 1.724 10 0 FDAEMO O=C1[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000245777459 178380834 /nfs/dbraw/zinc/38/08/34/178380834.db2.gz LQVJEVXGBFDMQX-RHSMWYFYSA-N 1 1 367.852 1.991 10 0 FDAEMO O=C1[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000245777459 178380837 /nfs/dbraw/zinc/38/08/37/178380837.db2.gz LQVJEVXGBFDMQX-RHSMWYFYSA-N 1 1 367.852 1.991 10 0 FDAEMO CCOCC[N@H+]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C[C@@H]1CC ZINC000245858697 178384526 /nfs/dbraw/zinc/38/45/26/178384526.db2.gz BEPRVTOKBIVNQK-GJZGRUSLSA-N 1 1 350.467 1.255 10 0 FDAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000245603942 178370537 /nfs/dbraw/zinc/37/05/37/178370537.db2.gz LNXKEJIAXJDEML-KPFFTGBYSA-N 1 1 357.498 1.880 10 0 FDAEMO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245935397 178390163 /nfs/dbraw/zinc/39/01/63/178390163.db2.gz KRFDJJQXYPJECJ-ZDUSSCGKSA-N 1 1 371.890 1.511 10 0 FDAEMO CCOC(=O)C1CCN(C(=O)CN2C[C@@H]3CCC[N@H+]3C[C@H]2CC)CC1 ZINC000245955327 178391907 /nfs/dbraw/zinc/39/19/07/178391907.db2.gz COZALDLWNCQEKO-SJORKVTESA-N 1 1 351.491 1.347 10 0 FDAEMO Cc1nc(-c2cccc(NC(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2)n[nH]1 ZINC000246034454 178396976 /nfs/dbraw/zinc/39/69/76/178396976.db2.gz MPGZFCRBFKUMBA-STQMWFEESA-N 1 1 358.446 1.699 10 0 FDAEMO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246083186 178398979 /nfs/dbraw/zinc/39/89/79/178398979.db2.gz HSXFJYNCYZFOKB-GDBMZVCRSA-N 1 1 365.499 1.858 10 0 FDAEMO CC[C@@H]1CN(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[N@H+]1C[C@H](C)O ZINC000246149000 178403476 /nfs/dbraw/zinc/40/34/76/178403476.db2.gz ZCWPBXVXSVQCNI-GOEBONIOSA-N 1 1 358.446 1.576 10 0 FDAEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]1N1CCOCC1 ZINC000246291886 178414481 /nfs/dbraw/zinc/41/44/81/178414481.db2.gz BBXFDJOCAPRWPV-UWWQBHOKSA-N 1 1 354.878 1.732 10 0 FDAEMO O=C(c1cccs1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000046140794 205133588 /nfs/dbraw/zinc/13/35/88/205133588.db2.gz GYTXNDZCJHCXTO-UHFFFAOYSA-N 1 1 371.528 1.368 10 0 FDAEMO C[NH+]1CCN(C(=O)CNc2ccccc2I)CC1 ZINC000058947033 205278379 /nfs/dbraw/zinc/27/83/79/205278379.db2.gz FHHWECYNZZZRKP-UHFFFAOYSA-N 1 1 359.211 1.477 10 0 FDAEMO COCCNC(=O)c1cc2c(n1C)CC[N@H+](Cc1cccc(OC)c1)C2 ZINC000065210968 205324590 /nfs/dbraw/zinc/32/45/90/205324590.db2.gz LALGAHAMICWNBZ-UHFFFAOYSA-N 1 1 357.454 1.968 10 0 FDAEMO COCCNC(=O)c1cc2c(n1C)CC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000065210968 205324595 /nfs/dbraw/zinc/32/45/95/205324595.db2.gz LALGAHAMICWNBZ-UHFFFAOYSA-N 1 1 357.454 1.968 10 0 FDAEMO CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000064836115 205306041 /nfs/dbraw/zinc/30/60/41/205306041.db2.gz PKAUBPXZCFKHOJ-UHFFFAOYSA-N 1 1 365.437 1.341 10 0 FDAEMO CN(C)c1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1 ZINC000152893410 258263112 /nfs/dbraw/zinc/26/31/12/258263112.db2.gz SQWURWRDCSNIHN-UHFFFAOYSA-N 1 1 357.462 1.621 10 0 FDAEMO CN(C)c1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1 ZINC000152893410 258263113 /nfs/dbraw/zinc/26/31/13/258263113.db2.gz SQWURWRDCSNIHN-UHFFFAOYSA-N 1 1 357.462 1.621 10 0 FDAEMO C[C@@H](O)C[NH+]1CCC(CN(C)CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000170941939 258265768 /nfs/dbraw/zinc/26/57/68/258265768.db2.gz OODMOIJPAQXQKV-DLBZAZTESA-N 1 1 359.514 1.989 10 0 FDAEMO COc1ccccc1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172044451 258271571 /nfs/dbraw/zinc/27/15/71/258271571.db2.gz DMEOSOBSLHHSMJ-UHFFFAOYSA-N 1 1 357.458 1.846 10 0 FDAEMO COc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172044451 258271572 /nfs/dbraw/zinc/27/15/72/258271572.db2.gz DMEOSOBSLHHSMJ-UHFFFAOYSA-N 1 1 357.458 1.846 10 0 FDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCS(=O)(=O)NC(C)C)C1 ZINC000172456507 258276568 /nfs/dbraw/zinc/27/65/68/258276568.db2.gz ADWAFTUNYOXKKK-AWEZNQCLSA-N 1 1 371.507 1.120 10 0 FDAEMO CCc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1S(N)(=O)=O ZINC000172461880 258276699 /nfs/dbraw/zinc/27/66/99/258276699.db2.gz ZOTWCHBDVSWAES-CQSZACIVSA-N 1 1 352.460 1.208 10 0 FDAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)NCCCn3ccnc3)CC2)cn1 ZINC000172647512 258281893 /nfs/dbraw/zinc/28/18/93/258281893.db2.gz QATUAHSXJQEOAB-UHFFFAOYSA-N 1 1 373.505 1.797 10 0 FDAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)NCCCn3ccnc3)CC2)cn1 ZINC000172647512 258281894 /nfs/dbraw/zinc/28/18/94/258281894.db2.gz QATUAHSXJQEOAB-UHFFFAOYSA-N 1 1 373.505 1.797 10 0 FDAEMO C[C@H](C(=O)N1CCN(Cc2ccon2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000172805131 258285870 /nfs/dbraw/zinc/28/58/70/258285870.db2.gz RFDMGCDEGNXZFN-MRXNPFEDSA-N 1 1 354.454 1.766 10 0 FDAEMO O=Cc1ccc(OCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000173098540 258291402 /nfs/dbraw/zinc/29/14/02/258291402.db2.gz JVXMSDVJYWTIJZ-ZDUSSCGKSA-N 1 1 367.243 1.947 10 0 FDAEMO CCN1CCN(c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)CC1 ZINC000040726613 136120056 /nfs/dbraw/zinc/12/00/56/136120056.db2.gz PYSBVUVOIMEOML-UHFFFAOYSA-N 1 1 361.538 1.922 10 0 FDAEMO COc1ccccc1-c1ccnc2nc(N3CC[NH+](C)CC3)[nH]c(=O)c12 ZINC000072440847 136147719 /nfs/dbraw/zinc/14/77/19/136147719.db2.gz APGVIYWFDCPQTP-UHFFFAOYSA-N 1 1 351.410 1.746 10 0 FDAEMO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173312287 258295834 /nfs/dbraw/zinc/29/58/34/258295834.db2.gz OFHKPSCBNMESFE-SUMWQHHRSA-N 1 1 355.442 1.944 10 0 FDAEMO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000173312287 258295835 /nfs/dbraw/zinc/29/58/35/258295835.db2.gz OFHKPSCBNMESFE-SUMWQHHRSA-N 1 1 355.442 1.944 10 0 FDAEMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](NC(C)=O)C3)c2C1 ZINC000067530092 172012093 /nfs/dbraw/zinc/01/20/93/172012093.db2.gz SLIPLJWMHJRLHE-MRXNPFEDSA-N 1 1 372.469 1.478 10 0 FDAEMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](NC(C)=O)C3)c2C1 ZINC000067530092 172012094 /nfs/dbraw/zinc/01/20/94/172012094.db2.gz SLIPLJWMHJRLHE-MRXNPFEDSA-N 1 1 372.469 1.478 10 0 FDAEMO COc1ccccc1S(=O)(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000075791303 172096544 /nfs/dbraw/zinc/09/65/44/172096544.db2.gz XQPSCBUGUASXDR-AWEZNQCLSA-N 1 1 354.472 1.569 10 0 FDAEMO COc1ccccc1S(=O)(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000075791303 172096547 /nfs/dbraw/zinc/09/65/47/172096547.db2.gz XQPSCBUGUASXDR-AWEZNQCLSA-N 1 1 354.472 1.569 10 0 FDAEMO CN(CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000077177110 172123015 /nfs/dbraw/zinc/12/30/15/172123015.db2.gz YKODFKBAMVYHLI-MRXNPFEDSA-N 1 1 363.458 1.514 10 0 FDAEMO CN(CC(=O)N1CCOCC1)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000077177110 172123016 /nfs/dbraw/zinc/12/30/16/172123016.db2.gz YKODFKBAMVYHLI-MRXNPFEDSA-N 1 1 363.458 1.514 10 0 FDAEMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000077731726 172135478 /nfs/dbraw/zinc/13/54/78/172135478.db2.gz SXIWVZCHGJIIBI-UONOGXRCSA-N 1 1 371.441 1.912 10 0 FDAEMO NC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080651030 172175891 /nfs/dbraw/zinc/17/58/91/172175891.db2.gz HSNITXBQNZQNHF-AHKGRUIUSA-N 1 1 357.454 1.512 10 0 FDAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000083736824 172206964 /nfs/dbraw/zinc/20/69/64/172206964.db2.gz BQLBJWHZOQBJCJ-MRXNPFEDSA-N 1 1 360.437 1.992 10 0 FDAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCCOc3ccccc3)C2)CC1 ZINC000091843903 172289218 /nfs/dbraw/zinc/28/92/18/172289218.db2.gz UGIXNDZOBQTYOP-GOSISDBHSA-N 1 1 360.502 1.877 10 0 FDAEMO COc1ccc(CNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000091845057 172289510 /nfs/dbraw/zinc/28/95/10/172289510.db2.gz NSKMPWOESZMESV-QGZVFWFLSA-N 1 1 361.490 1.402 10 0 FDAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCc3nccn3C(F)F)C2)CC1 ZINC000091848643 172289944 /nfs/dbraw/zinc/28/99/44/172289944.db2.gz XGWUTFQJNYBARO-CQSZACIVSA-N 1 1 370.448 1.590 10 0 FDAEMO CCc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1S(N)(=O)=O ZINC000092761656 172305045 /nfs/dbraw/zinc/30/50/45/172305045.db2.gz JIBOXYZTHVUYOR-SWLSCSKDSA-N 1 1 366.487 1.597 10 0 FDAEMO C[NH+]1CCN(c2ncc(CN3CCO[C@@H](c4nccs4)C3)cn2)CC1 ZINC000092831707 172306649 /nfs/dbraw/zinc/30/66/49/172306649.db2.gz MLBTVENBSHJIHL-OAHLLOKOSA-N 1 1 360.487 1.258 10 0 FDAEMO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000103010197 172357861 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364.490 1.430 10 0 FDAEMO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000389997534 537767733 /nfs/dbraw/zinc/76/77/33/537767733.db2.gz OVXUWHIPJSKJLR-JTQLQIEISA-N 1 1 351.241 1.961 10 0 FDAEMO CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000389997534 537767736 /nfs/dbraw/zinc/76/77/36/537767736.db2.gz OVXUWHIPJSKJLR-JTQLQIEISA-N 1 1 351.241 1.961 10 0 FDAEMO O=S(=O)(c1cccc(Br)c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404103994 537802776 /nfs/dbraw/zinc/80/27/76/537802776.db2.gz GYPDLWWSOQPHJY-STQMWFEESA-N 1 1 361.261 1.201 10 0 FDAEMO Cc1nnnn1-c1ccc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000573915082 550231564 /nfs/dbraw/zinc/23/15/64/550231564.db2.gz HVFQLUYYSXWXTP-UHFFFAOYSA-N 1 1 369.404 1.928 10 0 FDAEMO COC(=O)C[N@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H](CO)CC1 ZINC000575366290 550457949 /nfs/dbraw/zinc/45/79/49/550457949.db2.gz IXQVGOSEUUHCNG-SHTZXODSSA-N 1 1 358.479 1.879 10 0 FDAEMO COC(=O)C[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H]1CC[C@H](CO)CC1 ZINC000575366290 550457950 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ZKUBJHVQKBGRQU-ICSRJNTNSA-N 1 1 373.497 1.743 10 0 FDAEMO CC(C)n1nnnc1CN1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190502820 178005851 /nfs/dbraw/zinc/00/58/51/178005851.db2.gz HEPKRLUPCZELMB-HNNXBMFYSA-N 1 1 366.510 1.882 10 0 FDAEMO CC(C)n1nnnc1CN1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190502820 178005852 /nfs/dbraw/zinc/00/58/52/178005852.db2.gz HEPKRLUPCZELMB-HNNXBMFYSA-N 1 1 366.510 1.882 10 0 FDAEMO CCN(C)C(=O)CNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190735428 178018850 /nfs/dbraw/zinc/01/88/50/178018850.db2.gz GNEAGWZNOXWPBR-CQSZACIVSA-N 1 1 367.519 1.393 10 0 FDAEMO COCCN1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000190797423 178023529 /nfs/dbraw/zinc/02/35/29/178023529.db2.gz ZGRAMJHSDCGOBB-QGZVFWFLSA-N 1 1 370.877 1.398 10 0 FDAEMO COCCN1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1=O ZINC000190797423 178023530 /nfs/dbraw/zinc/02/35/30/178023530.db2.gz ZGRAMJHSDCGOBB-QGZVFWFLSA-N 1 1 370.877 1.398 10 0 FDAEMO CC[C@H](C(=O)OC(C)(C)C)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000192002193 178082605 /nfs/dbraw/zinc/08/26/05/178082605.db2.gz OGGTZLUTOPMUKE-QZTJIDSGSA-N 1 1 369.550 1.834 10 0 FDAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC[N@@H+]1CCOC ZINC000192964760 178140564 /nfs/dbraw/zinc/14/05/64/178140564.db2.gz DUUGEPNEORNMII-ZDUSSCGKSA-N 1 1 368.865 1.551 10 0 FDAEMO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)nc2C)CC[N@H+]1CCOC ZINC000192964760 178140567 /nfs/dbraw/zinc/14/05/67/178140567.db2.gz DUUGEPNEORNMII-ZDUSSCGKSA-N 1 1 368.865 1.551 10 0 FDAEMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ncc1Br ZINC000193477300 178165223 /nfs/dbraw/zinc/16/52/23/178165223.db2.gz MYHPKNGDPSGINA-LLVKDONJSA-N 1 1 367.247 1.398 10 0 FDAEMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194276727 178204722 /nfs/dbraw/zinc/20/47/22/178204722.db2.gz VSGYRLCGAKTBKR-KRWDZBQOSA-N 1 1 355.442 1.938 10 0 FDAEMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3cc[nH]c3c2)CC1 ZINC000194276706 178205264 /nfs/dbraw/zinc/20/52/64/178205264.db2.gz VSGYRLCGAKTBKR-QGZVFWFLSA-N 1 1 355.442 1.938 10 0 FDAEMO CCCCOC[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000195215821 178248790 /nfs/dbraw/zinc/24/87/90/178248790.db2.gz IUDAEEOVFRCKHF-SJORKVTESA-N 1 1 362.536 1.490 10 0 FDAEMO O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195320121 178256839 /nfs/dbraw/zinc/25/68/39/178256839.db2.gz AAHJXUKHTFKLKB-HNNXBMFYSA-N 1 1 369.462 1.191 10 0 FDAEMO COc1ccc(-c2noc(CCC(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000195325475 178256851 /nfs/dbraw/zinc/25/68/51/178256851.db2.gz QQRGPMHHNLSWKC-HNNXBMFYSA-N 1 1 356.426 1.984 10 0 FDAEMO CSc1nc2nc(C)c(CC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c(C)n2n1 ZINC000195318697 178257299 /nfs/dbraw/zinc/25/72/99/178257299.db2.gz FMJOWELSOUDJCP-CQSZACIVSA-N 1 1 374.514 1.702 10 0 FDAEMO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000195322847 178257698 /nfs/dbraw/zinc/25/76/98/178257698.db2.gz HLULOTFHQBTAKV-HNNXBMFYSA-N 1 1 365.499 1.684 10 0 FDAEMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195505418 178268257 /nfs/dbraw/zinc/26/82/57/178268257.db2.gz NHCHMWBFIHMDCT-INIZCTEOSA-N 1 1 359.426 1.816 10 0 FDAEMO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1S(N)(=O)=O ZINC000245712608 178376456 /nfs/dbraw/zinc/37/64/56/178376456.db2.gz CNDXMGTVGOGGCE-OCCSQVGLSA-N 1 1 352.460 1.343 10 0 FDAEMO C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000245800354 178380992 /nfs/dbraw/zinc/38/09/92/178380992.db2.gz INHGRDIPKWTIFP-SJLPKXTDSA-N 1 1 364.490 1.429 10 0 FDAEMO C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000245800354 178380994 /nfs/dbraw/zinc/38/09/94/178380994.db2.gz INHGRDIPKWTIFP-SJLPKXTDSA-N 1 1 364.490 1.429 10 0 FDAEMO C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000245789602 178381600 /nfs/dbraw/zinc/38/16/00/178381600.db2.gz VXHKQYGPVAYFPD-FUHWJXTLSA-N 1 1 361.486 1.306 10 0 FDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000245797267 178381903 /nfs/dbraw/zinc/38/19/03/178381903.db2.gz JKLROXXXEBPQQZ-WMLDXEAASA-N 1 1 372.469 1.653 10 0 FDAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245843597 178382373 /nfs/dbraw/zinc/38/23/73/178382373.db2.gz FACIMRURQNFKBV-NLWGTHIKSA-N 1 1 374.529 1.869 10 0 FDAEMO CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2OC)CC[N@H+]1C[C@H](C)O ZINC000245814237 178382772 /nfs/dbraw/zinc/38/27/72/178382772.db2.gz ZZCAORZMEPGJBX-GOEBONIOSA-N 1 1 352.475 1.989 10 0 FDAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000245909986 178388435 /nfs/dbraw/zinc/38/84/35/178388435.db2.gz FTBCUNDSBGPULK-NVXWUHKLSA-N 1 1 350.507 1.809 10 0 FDAEMO COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000246011670 178394649 /nfs/dbraw/zinc/39/46/49/178394649.db2.gz LEORIMJFIWDCNQ-KBPBESRZSA-N 1 1 350.467 1.291 10 0 FDAEMO C[C@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246628428 178439082 /nfs/dbraw/zinc/43/90/82/178439082.db2.gz ZFIDBADRSAOSAZ-FUHWJXTLSA-N 1 1 352.500 1.503 10 0 FDAEMO C[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000246628428 178439083 /nfs/dbraw/zinc/43/90/83/178439083.db2.gz ZFIDBADRSAOSAZ-FUHWJXTLSA-N 1 1 352.500 1.503 10 0 FDAEMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053349188 205191734 /nfs/dbraw/zinc/19/17/34/205191734.db2.gz UDNOYBQVIPLIJY-QGZVFWFLSA-N 1 1 367.515 1.439 10 0 FDAEMO C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@H+]3CC[C@@H](OC1=O)[C@@]23C ZINC000226345024 206122183 /nfs/dbraw/zinc/12/21/83/206122183.db2.gz DBPADVXTTMANJT-SDORRBBDSA-N 1 1 351.443 1.663 10 0 FDAEMO Cn1cc([C@H]2CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)cn1 ZINC000172052348 258271722 /nfs/dbraw/zinc/27/17/22/258271722.db2.gz VWMRVKIHUAUWSW-INIZCTEOSA-N 1 1 355.442 1.626 10 0 FDAEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C)nn2-c2ccccn2)C[C@H]1C ZINC000172272823 258272218 /nfs/dbraw/zinc/27/22/18/258272218.db2.gz IKQBPBLWQSYYRM-OAHLLOKOSA-N 1 1 358.446 1.760 10 0 FDAEMO COCC[N@H+]1CCN(C(=O)Nc2cc(C)nn2-c2ccccn2)C[C@H]1C ZINC000172272823 258272219 /nfs/dbraw/zinc/27/22/19/258272219.db2.gz IKQBPBLWQSYYRM-OAHLLOKOSA-N 1 1 358.446 1.760 10 0 FDAEMO CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000172661525 258282306 /nfs/dbraw/zinc/28/23/06/258282306.db2.gz NLZUYLNWXMFAIO-HUUCEWRRSA-N 1 1 352.479 1.779 10 0 FDAEMO C[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000173235378 258293977 /nfs/dbraw/zinc/29/39/77/258293977.db2.gz CUSRNQSPSVCSCO-ZWKOTPCHSA-N 1 1 374.529 1.748 10 0 FDAEMO CC[C@H]1CN(C(=O)Nc2cccnc2N2CCCC2)CC[N@H+]1C[C@@H](C)O ZINC000173272344 258295133 /nfs/dbraw/zinc/29/51/33/258295133.db2.gz PACOOEUSVFSUMT-CVEARBPZSA-N 1 1 361.490 1.991 10 0 FDAEMO CCCC[C@H](C(=O)OC)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000173335168 258296247 /nfs/dbraw/zinc/29/62/47/258296247.db2.gz GIKMKEDXEKBHCG-QZTJIDSGSA-N 1 1 355.523 1.445 10 0 FDAEMO Cc1cnn(C[C@@H]2CN(C(=O)NCCCCn3cc[nH+]c3C)CCO2)c1 ZINC000173429549 258299458 /nfs/dbraw/zinc/29/94/58/258299458.db2.gz VLKFXJCLJRKOMU-KRWDZBQOSA-N 1 1 360.462 1.587 10 0 FDAEMO C[C@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C(=O)N1CCCCC1 ZINC000074317524 172077918 /nfs/dbraw/zinc/07/79/18/172077918.db2.gz VNKWZZUBSHKROE-DLBZAZTESA-N 1 1 366.506 1.284 10 0 FDAEMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccccc2)C1)C(=O)N1CCCCC1 ZINC000076758123 172117863 /nfs/dbraw/zinc/11/78/63/172117863.db2.gz WOWHVRIRYCKJOG-WMZOPIPTSA-N 1 1 358.486 1.690 10 0 FDAEMO C[C@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1)C(=O)N1CCCCC1 ZINC000076758123 172117865 /nfs/dbraw/zinc/11/78/65/172117865.db2.gz WOWHVRIRYCKJOG-WMZOPIPTSA-N 1 1 358.486 1.690 10 0 FDAEMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(-c3ncon3)c2)C1 ZINC000077731570 172135010 /nfs/dbraw/zinc/13/50/10/172135010.db2.gz AOWLZALVOBWLPY-ZDUSSCGKSA-N 1 1 357.414 1.523 10 0 FDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cncc(Br)c1 ZINC000083551099 172205181 /nfs/dbraw/zinc/20/51/81/172205181.db2.gz UFWSNEPBUSAHBA-CMPLNLGQSA-N 1 1 360.277 1.701 10 0 FDAEMO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000083742508 172207118 /nfs/dbraw/zinc/20/71/18/172207118.db2.gz QYWVZIAQHACUCB-OAHLLOKOSA-N 1 1 350.467 1.174 10 0 FDAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCS(C)(=O)=O)cc1 ZINC000086285551 172221728 /nfs/dbraw/zinc/22/17/28/172221728.db2.gz PYRBVKLCVIFYKA-GFCCVEGCSA-N 1 1 350.444 1.586 10 0 FDAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)NC[C@@H]3CSCCS3)C2)CC1 ZINC000091863676 172288949 /nfs/dbraw/zinc/28/89/49/172288949.db2.gz KGYAMOLUFZYOOA-JKSUJKDBSA-N 1 1 372.604 1.647 10 0 FDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000092765017 172304498 /nfs/dbraw/zinc/30/44/98/172304498.db2.gz AIUULWGBENFFNJ-SWLSCSKDSA-N 1 1 352.460 1.759 10 0 FDAEMO CCOc1ncccc1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115795604 172657045 /nfs/dbraw/zinc/65/70/45/172657045.db2.gz CYOZDGUPEHIOJA-UHFFFAOYSA-N 1 1 372.473 1.631 10 0 FDAEMO CCOc1ncccc1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115795604 172657047 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174020645 /nfs/dbraw/zinc/02/06/45/174020645.db2.gz JJSIFAZZSMUKFR-SUMWQHHRSA-N 1 1 353.413 1.869 10 0 FDAEMO CCc1cccc(NC(=O)CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000175734150 174023027 /nfs/dbraw/zinc/02/30/27/174023027.db2.gz ZIMJOEYZRCZZTQ-QAPCUYQASA-N 1 1 374.485 1.550 10 0 FDAEMO C[C@H]1CN(C(=O)NCc2ccccc2-n2cccn2)C[C@@H]1[NH+]1CCOCC1 ZINC000175726016 174023361 /nfs/dbraw/zinc/02/33/61/174023361.db2.gz PMNJNLGKZKTUND-LPHOPBHVSA-N 1 1 369.469 1.734 10 0 FDAEMO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176059187 174048678 /nfs/dbraw/zinc/04/86/78/174048678.db2.gz MJSYHYPQRZMTKU-INIZCTEOSA-N 1 1 361.490 1.795 10 0 FDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000176059187 174048680 /nfs/dbraw/zinc/04/86/80/174048680.db2.gz MJSYHYPQRZMTKU-INIZCTEOSA-N 1 1 361.490 1.795 10 0 FDAEMO CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CCCn4ncnc43)cc2)CC1 ZINC000176135096 174054395 /nfs/dbraw/zinc/05/43/95/174054395.db2.gz GTNXWKZLIGWFOV-KRWDZBQOSA-N 1 1 354.458 1.290 10 0 FDAEMO CNC(=O)c1cccc(CCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176302034 174063447 /nfs/dbraw/zinc/06/34/47/174063447.db2.gz LZJPIYXKRMUZSJ-SFHVURJKSA-N 1 1 369.469 1.968 10 0 FDAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 ZINC000176680869 174083193 /nfs/dbraw/zinc/08/31/93/174083193.db2.gz YQCTZXZRSHEKLH-UONOGXRCSA-N 1 1 369.487 1.537 10 0 FDAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000176901396 174093232 /nfs/dbraw/zinc/09/32/32/174093232.db2.gz GFQXPBKAGBAMPY-KRWDZBQOSA-N 1 1 372.469 1.916 10 0 FDAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000177009346 174100309 /nfs/dbraw/zinc/10/03/09/174100309.db2.gz DJCNMSYLHHFRIM-OAHLLOKOSA-N 1 1 353.488 1.250 10 0 FDAEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)c1 ZINC000177058946 174104440 /nfs/dbraw/zinc/10/44/40/174104440.db2.gz DYSHQUHLLHIBQP-LBPRGKRZSA-N 1 1 361.368 1.607 10 0 FDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CN1C(=O)c2ccc(C)cc2C1=O ZINC000177153230 174109640 /nfs/dbraw/zinc/10/96/40/174109640.db2.gz OMBSTWHZDUJMNB-HNNXBMFYSA-N 1 1 366.421 1.787 10 0 FDAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000177175502 174111523 /nfs/dbraw/zinc/11/15/23/174111523.db2.gz PSVLRRBDVFFXEL-ZFWWWQNUSA-N 1 1 373.457 1.436 10 0 FDAEMO C[C@@H]1CN(C(=O)Nc2cccnc2N2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000177230076 174115833 /nfs/dbraw/zinc/11/58/33/174115833.db2.gz PCCIOXVGMBNOJJ-NVXWUHKLSA-N 1 1 359.474 1.866 10 0 FDAEMO CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000177238937 174117613 /nfs/dbraw/zinc/11/76/13/174117613.db2.gz JPWKYCPDVHKXPH-KXBFYZLASA-N 1 1 359.470 1.870 10 0 FDAEMO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177389458 174127689 /nfs/dbraw/zinc/12/76/89/174127689.db2.gz ZVJUEUSHIVGDCM-QGZVFWFLSA-N 1 1 372.469 1.462 10 0 FDAEMO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000177389458 174127690 /nfs/dbraw/zinc/12/76/90/174127690.db2.gz ZVJUEUSHIVGDCM-QGZVFWFLSA-N 1 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174148699 /nfs/dbraw/zinc/14/86/99/174148699.db2.gz JRKWISWQFSUDCR-CYBMUJFWSA-N 1 1 357.414 1.651 10 0 FDAEMO O=C(Nc1cccc(COCC2CC2)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177683003 174150364 /nfs/dbraw/zinc/15/03/64/174150364.db2.gz SINZRKOYBIPOGR-GOSISDBHSA-N 1 1 357.454 1.858 10 0 FDAEMO CCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000177683503 174151416 /nfs/dbraw/zinc/15/14/16/174151416.db2.gz DQIGELVWNPKBGN-INIZCTEOSA-N 1 1 358.442 1.072 10 0 FDAEMO O=C(Nc1cccc(Br)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177698317 174151637 /nfs/dbraw/zinc/15/16/37/174151637.db2.gz DAOAJASNZSPALF-ZDUSSCGKSA-N 1 1 352.232 1.694 10 0 FDAEMO COc1ccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1F ZINC000177975555 174166628 /nfs/dbraw/zinc/16/66/28/174166628.db2.gz KTCKDBLFOLUYBG-AWEZNQCLSA-N 1 1 360.389 1.969 10 0 FDAEMO CNS(=O)(=O)c1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000181080549 174205772 /nfs/dbraw/zinc/20/57/72/174205772.db2.gz BZGXSFNIHKUQBL-SWLSCSKDSA-N 1 1 368.503 1.753 10 0 FDAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCNC(=O)c1cccnc1 ZINC000181294586 174215912 /nfs/dbraw/zinc/21/59/12/174215912.db2.gz XAKCLJBCXUVWRZ-INIZCTEOSA-N 1 1 369.469 1.631 10 0 FDAEMO C[C@@H](CS(C)(=O)=O)[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182861879 177540686 /nfs/dbraw/zinc/54/06/86/177540686.db2.gz ZIJPJZKLNSQWMP-MAUKXSAKSA-N 1 1 354.516 1.455 10 0 FDAEMO CN(C)C(=O)c1cccc(CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000173502711 258300973 /nfs/dbraw/zinc/30/09/73/258300973.db2.gz BTBMVEHLKDJKFB-SFHVURJKSA-N 1 1 358.486 1.811 10 0 FDAEMO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000179847784 258359110 /nfs/dbraw/zinc/35/91/10/258359110.db2.gz RATFFWBKMFLPFO-ZDUSSCGKSA-N 1 1 362.396 1.576 10 0 FDAEMO C[C@@H]1CN(C(=O)C[C@H](O)c2ccc(Cl)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000180068521 258361663 /nfs/dbraw/zinc/36/16/63/258361663.db2.gz RPIZVARFWHEGSP-COXVUDFISA-N 1 1 352.862 1.943 10 0 FDAEMO COC(=O)CCn1nc(C)c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1C ZINC000180229806 258364551 /nfs/dbraw/zinc/36/45/51/258364551.db2.gz CHYRKAWCHWPCMS-RDTXWAMCSA-N 1 1 364.490 1.216 10 0 FDAEMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000180527128 258369965 /nfs/dbraw/zinc/36/99/65/258369965.db2.gz JLRVAZYAWLBQIW-YOEHRIQHSA-N 1 1 368.437 1.821 10 0 FDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2Cn2cccn2)C[C@H]1C ZINC000180753174 258374126 /nfs/dbraw/zinc/37/41/26/258374126.db2.gz WJHJYJSHCKGELF-IAGOWNOFSA-N 1 1 371.485 1.528 10 0 FDAEMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cncn4)C3)cc2C1 ZINC000173696441 258307780 /nfs/dbraw/zinc/30/77/80/258307780.db2.gz LGWMYVDRSDTQEZ-INIZCTEOSA-N 1 1 354.414 1.026 10 0 FDAEMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cncn4)C3)cc2C1 ZINC000173696441 258307781 /nfs/dbraw/zinc/30/77/81/258307781.db2.gz LGWMYVDRSDTQEZ-INIZCTEOSA-N 1 1 354.414 1.026 10 0 FDAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCOCC2)C1 ZINC000173787364 258311292 /nfs/dbraw/zinc/31/12/92/258311292.db2.gz DZWDWJAWICWSPK-UXHICEINSA-N 1 1 372.513 1.767 10 0 FDAEMO C[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCCO3)C[C@H]1[NH+]1CCOCC1 ZINC000173805735 258311612 /nfs/dbraw/zinc/31/16/12/258311612.db2.gz JORJMTNRSZYLMY-NVXWUHKLSA-N 1 1 360.454 1.570 10 0 FDAEMO C[C@@H]1CN(C(=O)CNC(=O)CC2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000173831846 258312736 /nfs/dbraw/zinc/31/27/36/258312736.db2.gz XBSMEPQPRPXQCC-WBVHZDCISA-N 1 1 351.491 1.252 10 0 FDAEMO CN(C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1)[C@@H]1CCCc2ccccc21 ZINC000173925720 258314501 /nfs/dbraw/zinc/31/45/01/258314501.db2.gz NHQLFJQTKZBFCW-AZUAARDMSA-N 1 1 357.498 1.929 10 0 FDAEMO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173935755 258314775 /nfs/dbraw/zinc/31/47/75/258314775.db2.gz LKZJCBAXGJRRAN-SFHVURJKSA-N 1 1 361.486 1.320 10 0 FDAEMO CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173935768 258314836 /nfs/dbraw/zinc/31/48/36/258314836.db2.gz LKZJCBAXGJRRAN-GOSISDBHSA-N 1 1 361.486 1.320 10 0 FDAEMO C[C@@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173972392 258316259 /nfs/dbraw/zinc/31/62/59/258316259.db2.gz CMRRJLJBQOZVEC-KDOFPFPSSA-N 1 1 372.469 1.358 10 0 FDAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@@H]1C ZINC000174304443 258322871 /nfs/dbraw/zinc/32/28/71/258322871.db2.gz MTTNYTJACFHPNP-UONOGXRCSA-N 1 1 366.893 1.862 10 0 FDAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)C[C@@H]1C ZINC000174304443 258322872 /nfs/dbraw/zinc/32/28/72/258322872.db2.gz MTTNYTJACFHPNP-UONOGXRCSA-N 1 1 366.893 1.862 10 0 FDAEMO Cc1cc(-n2c(C)cc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2C)no1 ZINC000174318935 258323361 /nfs/dbraw/zinc/32/33/61/258323361.db2.gz MVOQVVNWDRUURE-UONOGXRCSA-N 1 1 360.458 1.918 10 0 FDAEMO Cc1cc(-n2c(C)cc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2C)no1 ZINC000174318935 258323362 /nfs/dbraw/zinc/32/33/62/258323362.db2.gz MVOQVVNWDRUURE-UONOGXRCSA-N 1 1 360.458 1.918 10 0 FDAEMO C[C@H]1CN(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000177725116 258326327 /nfs/dbraw/zinc/32/63/27/258326327.db2.gz LFUATHAJTBORNS-KSSFIOAISA-N 1 1 372.469 1.763 10 0 FDAEMO CS(=O)(=O)CCc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000178829779 258336679 /nfs/dbraw/zinc/33/66/79/258336679.db2.gz WKJVAEJSACJVSE-MRXNPFEDSA-N 1 1 351.472 1.586 10 0 FDAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)cn3)CC2)cn1 ZINC000180839330 258376167 /nfs/dbraw/zinc/37/61/67/258376167.db2.gz WXCZQQIIBOOXNE-UHFFFAOYSA-N 1 1 362.865 1.886 10 0 FDAEMO Cn1cc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)cn3)CC2)cn1 ZINC000180839330 258376168 /nfs/dbraw/zinc/37/61/68/258376168.db2.gz WXCZQQIIBOOXNE-UHFFFAOYSA-N 1 1 362.865 1.886 10 0 FDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000184773333 258383773 /nfs/dbraw/zinc/38/37/73/258383773.db2.gz LPNGYAMBEURXNH-SFHVURJKSA-N 1 1 357.458 1.470 10 0 FDAEMO Cn1nnc2ccc(C(=O)N3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)cc21 ZINC000190646956 258390061 /nfs/dbraw/zinc/39/00/61/258390061.db2.gz JQCBVMPNTTZFBW-MRXNPFEDSA-N 1 1 364.453 1.957 10 0 FDAEMO 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258398869 /nfs/dbraw/zinc/39/88/69/258398869.db2.gz WTPJZAZTDNWRAN-RDJZCZTQSA-N 1 1 352.438 1.605 10 0 FDAEMO Cc1ccc(-n2nnnc2NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000301500452 259028767 /nfs/dbraw/zinc/02/87/67/259028767.db2.gz DLZNRDWCJUSDGP-IBGZPJMESA-N 1 1 364.453 1.802 10 0 FDAEMO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)[N@@H+](C)C1 ZINC000328967875 259069442 /nfs/dbraw/zinc/06/94/42/259069442.db2.gz TYQIJGSAURKMCM-AGIUHOORSA-N 1 1 374.407 1.864 10 0 FDAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cccnc3N3CCOCC3)CC2)CCO1 ZINC000329034608 259073227 /nfs/dbraw/zinc/07/32/27/259073227.db2.gz QTHVPLIEZGQPCG-INIZCTEOSA-N 1 1 374.485 1.244 10 0 FDAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)C1 ZINC000329246944 259086887 /nfs/dbraw/zinc/08/68/87/259086887.db2.gz VXSBWXKQJTWFFQ-OAHLLOKOSA-N 1 1 367.457 1.906 10 0 FDAEMO O=C(CC1(C(=O)N2CC[NH+](C3CCC3)CC2)CCCC1)N1CCOCC1 ZINC000329272682 259088001 /nfs/dbraw/zinc/08/80/01/259088001.db2.gz IQCLMZFKRRMUCI-UHFFFAOYSA-N 1 1 363.502 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ZINC000329622665 259103985 /nfs/dbraw/zinc/10/39/85/259103985.db2.gz UQNVTUADJMZSAK-GFCCVEGCSA-N 1 1 350.492 1.775 10 0 FDAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)CCO2)cn1 ZINC000329917315 259117682 /nfs/dbraw/zinc/11/76/82/259117682.db2.gz FFANXWZWMZAMHK-UYAOXDASSA-N 1 1 354.454 1.769 10 0 FDAEMO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)CCO2)cn1 ZINC000329917315 259117683 /nfs/dbraw/zinc/11/76/83/259117683.db2.gz FFANXWZWMZAMHK-UYAOXDASSA-N 1 1 354.454 1.769 10 0 FDAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000330225146 259134189 /nfs/dbraw/zinc/13/41/89/259134189.db2.gz OAGBBSNGDNBLCX-UKRRQHHQSA-N 1 1 363.462 1.048 10 0 FDAEMO CO[C@H](C)c1noc(CN2CCC[N@H+]([C@@H]3CCN(C4CC4)C3=O)CC2)n1 ZINC000330225146 259134190 /nfs/dbraw/zinc/13/41/90/259134190.db2.gz OAGBBSNGDNBLCX-UKRRQHHQSA-N 1 1 363.462 1.048 10 0 FDAEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000333018948 259299264 /nfs/dbraw/zinc/29/92/64/259299264.db2.gz 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CCC[N@H+](CC(=O)NC)C[C@@H](O)COc1cccc(Br)c1 ZINC000056508631 521872871 /nfs/dbraw/zinc/87/28/71/521872871.db2.gz XPSCAMMPQJZMNF-CYBMUJFWSA-N 1 1 359.264 1.647 10 0 FDAEMO Cc1ccccc1C(=O)N[C@@H](C(=O)NCCC[NH+]1CCOCC1)C(C)C ZINC000045162574 522049399 /nfs/dbraw/zinc/04/93/99/522049399.db2.gz VPQUQXNOGOSTOP-GOSISDBHSA-N 1 1 361.486 1.588 10 0 FDAEMO CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000057869837 522173883 /nfs/dbraw/zinc/17/38/83/522173883.db2.gz GHDRVFSRZGZOJH-AWEZNQCLSA-N 1 1 357.458 1.939 10 0 FDAEMO CCCn1ccnc1C[N@@H+]1CCc2nc(C)nc(NC[C@H](C)O)c2CC1 ZINC000072428646 522264363 /nfs/dbraw/zinc/26/43/63/522264363.db2.gz NMAJVAWULDNUCH-AWEZNQCLSA-N 1 1 358.490 1.785 10 0 FDAEMO CCCn1ccnc1C[N@H+]1CCc2nc(C)nc(NC[C@H](C)O)c2CC1 ZINC000072428646 522264377 /nfs/dbraw/zinc/26/43/77/522264377.db2.gz NMAJVAWULDNUCH-AWEZNQCLSA-N 1 1 358.490 1.785 10 0 FDAEMO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000046991531 522414475 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FDAEMO Cc1nc2ccccc2nc1C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000172162123 524141243 /nfs/dbraw/zinc/14/12/43/524141243.db2.gz PIVZKYDHFICJBA-UHFFFAOYSA-N 1 1 360.425 1.698 10 0 FDAEMO CC(=O)Nc1ccccc1CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121066826 524143122 /nfs/dbraw/zinc/14/31/22/524143122.db2.gz BOLIFVHWBPWTLR-HXUWFJFHSA-N 1 1 374.529 1.872 10 0 FDAEMO C[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000110965111 524174572 /nfs/dbraw/zinc/17/45/72/524174572.db2.gz IPOVWXHXTXXYTA-VQIMIIECSA-N 1 1 368.481 1.903 10 0 FDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000172244415 524175733 /nfs/dbraw/zinc/17/57/33/524175733.db2.gz ICLZQJZICXTWPK-DOTOQJQBSA-N 1 1 359.474 1.296 10 0 FDAEMO COC(=O)[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000172244238 524176483 /nfs/dbraw/zinc/17/64/83/524176483.db2.gz JZOXSVNXCKQBST-GOSISDBHSA-N 1 1 359.470 1.277 10 0 FDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000172247922 524178407 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/nfs/dbraw/zinc/14/04/55/571140455.db2.gz KHEANVFZDRWUAZ-LJQANCHMSA-N 1 1 354.458 1.913 10 0 FDAEMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](Cc4cnc[nH]4)C3)CCC2=O)cn1 ZINC000077554092 571140457 /nfs/dbraw/zinc/14/04/57/571140457.db2.gz KHEANVFZDRWUAZ-LJQANCHMSA-N 1 1 354.458 1.913 10 0 FDAEMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCC(C)C)n1 ZINC000015066114 670627086 /nfs/dbraw/zinc/62/70/86/670627086.db2.gz DTEXYXSEFMHGJA-AWEZNQCLSA-N 1 1 352.504 1.647 10 0 FDAEMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCC(C)C)n1 ZINC000015066114 670627088 /nfs/dbraw/zinc/62/70/88/670627088.db2.gz DTEXYXSEFMHGJA-AWEZNQCLSA-N 1 1 352.504 1.647 10 0 FDAEMO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000128107414 671775024 /nfs/dbraw/zinc/77/50/24/671775024.db2.gz XXXWGYVQCBROQS-NSHDSACASA-N 1 1 366.480 1.238 10 0 FDAEMO CCc1nn(C)c(Cl)c1CN1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000152275555 671880030 /nfs/dbraw/zinc/88/00/30/671880030.db2.gz SJASNTVBXAOHQA-UHFFFAOYSA-N 1 1 367.925 1.764 10 0 FDAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cn1nc(N2CCOCC2)sc1=S ZINC000153210628 671897628 /nfs/dbraw/zinc/89/76/28/671897628.db2.gz KWJYBVCFPUAEPA-QWHCGFSZSA-N 1 1 355.533 1.637 10 0 FDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000153205467 671897715 /nfs/dbraw/zinc/89/77/15/671897715.db2.gz QSTUKDKCLOJYRL-CHWSQXEVSA-N 1 1 362.455 1.165 10 0 FDAEMO COC(=O)N1CCC([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000188949875 672301510 /nfs/dbraw/zinc/30/15/10/672301510.db2.gz CNAQWDPXFDXCTB-GOEBONIOSA-N 1 1 352.479 1.733 10 0 FDAEMO O=C(NCc1nc[nH]n1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000192893645 672360839 /nfs/dbraw/zinc/36/08/39/672360839.db2.gz DXFBIIXYDPLNFO-CHWSQXEVSA-N 1 1 353.348 1.731 10 0 FDAEMO O=C(NCc1nnc[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000192893645 672360845 /nfs/dbraw/zinc/36/08/45/672360845.db2.gz DXFBIIXYDPLNFO-CHWSQXEVSA-N 1 1 353.348 1.731 10 0 FDAEMO CCOC(=O)C1CCN(C(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000245469427 672445568 /nfs/dbraw/zinc/44/55/68/672445568.db2.gz LUICPHOAZCRXAU-NVXWUHKLSA-N 1 1 353.507 1.593 10 0 FDAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(F)c2)CC[N@@H+]1C[C@H](C)O ZINC000245916446 672472351 /nfs/dbraw/zinc/47/23/51/672472351.db2.gz FQWQWEFJGDQPKT-BBRMVZONSA-N 1 1 351.422 1.376 10 0 FDAEMO CC[C@H]1CN(C(=O)C(=O)Nc2cc(C)cc(F)c2)CC[N@H+]1C[C@H](C)O ZINC000245916446 672472353 /nfs/dbraw/zinc/47/23/53/672472353.db2.gz FQWQWEFJGDQPKT-BBRMVZONSA-N 1 1 351.422 1.376 10 0 FDAEMO CC[C@@H]1CN(C(=O)c2cccnc2OCC(F)F)CC[N@@H+]1C[C@H](C)O ZINC000245924849 672473623 /nfs/dbraw/zinc/47/36/23/672473623.db2.gz TZRLYTLXWOBSBU-QWHCGFSZSA-N 1 1 357.401 1.643 10 0 FDAEMO CC[C@@H]1CN(C(=O)c2cccnc2OCC(F)F)CC[N@H+]1C[C@H](C)O ZINC000245924849 672473628 /nfs/dbraw/zinc/47/36/28/672473628.db2.gz TZRLYTLXWOBSBU-QWHCGFSZSA-N 1 1 357.401 1.643 10 0 FDAEMO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000245942579 672475266 /nfs/dbraw/zinc/47/52/66/672475266.db2.gz BAOKCYOSJAAIIY-ZACQAIPSSA-N 1 1 351.491 1.489 10 0 FDAEMO CCOCCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1CC ZINC000246128661 672494820 /nfs/dbraw/zinc/49/48/20/672494820.db2.gz ATHVSCHTEGYNIX-BRWVUGGUSA-N 1 1 352.523 1.754 10 0 FDAEMO CCOCCN1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@H]1CC ZINC000246128661 672494824 /nfs/dbraw/zinc/49/48/24/672494824.db2.gz ATHVSCHTEGYNIX-BRWVUGGUSA-N 1 1 352.523 1.754 10 0 FDAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246147634 672498179 /nfs/dbraw/zinc/49/81/79/672498179.db2.gz ORADCFDBBQXKMU-VSZNYVQBSA-N 1 1 352.523 1.469 10 0 FDAEMO COC(=O)N1CCC([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000249150045 672547229 /nfs/dbraw/zinc/54/72/29/672547229.db2.gz WIKLOJCYDONOTI-OFQRWUPVSA-N 1 1 354.495 1.881 10 0 FDAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)C1 ZINC000249380292 672559426 /nfs/dbraw/zinc/55/94/26/672559426.db2.gz BDJRJLWRZHXCJH-XJKSGUPXSA-N 1 1 353.488 1.395 10 0 FDAEMO COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000253205401 672596126 /nfs/dbraw/zinc/59/61/26/672596126.db2.gz TVVSHCQHJONABL-MELADBBJSA-N 1 1 351.472 1.541 10 0 FDAEMO O=C(CCNS(=O)(=O)/C=C\c1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000255676127 672624569 /nfs/dbraw/zinc/62/45/69/672624569.db2.gz NYKBZLYVGSNUQB-DZXKJOIRSA-N 1 1 363.483 1.273 10 0 FDAEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000262310538 672767103 /nfs/dbraw/zinc/76/71/03/672767103.db2.gz QJMDFIKEYFKXEU-XUJVJEKNSA-N 1 1 355.385 1.360 10 0 FDAEMO CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000263206671 672867314 /nfs/dbraw/zinc/86/73/14/672867314.db2.gz IEUDBQJSZDTZRD-NRXISQOPSA-N 1 1 356.511 1.590 10 0 FDAEMO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ncc(I)s1 ZINC000285945026 675855073 /nfs/dbraw/zinc/85/50/73/675855073.db2.gz MJUYZKMHKSODJU-BQBZGAKWSA-N 1 1 351.213 1.504 10 0 FDAEMO O=S1(=O)CCCN1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000362027397 676906533 /nfs/dbraw/zinc/90/65/33/676906533.db2.gz YITFGYOVVZNHFK-YQQQUEKLSA-N 1 1 363.527 1.807 10 0 FDAEMO O=S1(=O)CCCN1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000362027397 676906535 /nfs/dbraw/zinc/90/65/35/676906535.db2.gz YITFGYOVVZNHFK-YQQQUEKLSA-N 1 1 363.527 1.807 10 0 FDAEMO Cc1cnn(CCNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000190442684 178001922 /nfs/dbraw/zinc/00/19/22/178001922.db2.gz URBMMZJGZQQHJI-LJQANCHMSA-N 1 1 371.485 1.782 10 0 FDAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CSC(=O)N2)C1 ZINC000190568609 178010974 /nfs/dbraw/zinc/01/09/74/178010974.db2.gz HVJYKLLAOXNWGL-NEPJUHHUSA-N 1 1 354.501 1.557 10 0 FDAEMO CC(C)(C)n1cc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nn1 ZINC000191343064 178053299 /nfs/dbraw/zinc/05/32/99/178053299.db2.gz IVFJMSPOFYMMIO-GOSISDBHSA-N 1 1 373.501 1.591 10 0 FDAEMO CC[C@@H](C(=O)OC(C)(C)C)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000192002186 178082106 /nfs/dbraw/zinc/08/21/06/178082106.db2.gz OGGTZLUTOPMUKE-MSOLQXFVSA-N 1 1 369.550 1.834 10 0 FDAEMO Cn1cc(CN2CCC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)CC2)cn1 ZINC000192006520 178083428 /nfs/dbraw/zinc/08/34/28/178083428.db2.gz XNIQAKJUAUPTLE-LJQANCHMSA-N 1 1 353.470 1.881 10 0 FDAEMO Cn1cc(CN2CCC[N@H+]([C@@H]3CCc4ccccc4NC3=O)CC2)cn1 ZINC000192006520 178083429 /nfs/dbraw/zinc/08/34/29/178083429.db2.gz XNIQAKJUAUPTLE-LJQANCHMSA-N 1 1 353.470 1.881 10 0 FDAEMO CN(C)c1cccc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000192761343 178131862 /nfs/dbraw/zinc/13/18/62/178131862.db2.gz GYYHRPFFILFXGY-FQEVSTJZSA-N 1 1 353.466 1.902 10 0 FDAEMO CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000194270495 178203997 /nfs/dbraw/zinc/20/39/97/178203997.db2.gz LSTHIAPGJFSEFA-MRXNPFEDSA-N 1 1 366.506 1.236 10 0 FDAEMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195040179 178236219 /nfs/dbraw/zinc/23/62/19/178236219.db2.gz MRYYIKKKGYGLOU-MRXNPFEDSA-N 1 1 365.499 1.684 10 0 FDAEMO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000195040179 178236220 /nfs/dbraw/zinc/23/62/20/178236220.db2.gz MRYYIKKKGYGLOU-MRXNPFEDSA-N 1 1 365.499 1.684 10 0 FDAEMO O=C(Cn1cc(Br)ccc1=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195074469 178238225 /nfs/dbraw/zinc/23/82/25/178238225.db2.gz YWMIDXLSKYPUIW-ZDUSSCGKSA-N 1 1 354.248 1.308 10 0 FDAEMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195087149 178239489 /nfs/dbraw/zinc/23/94/89/178239489.db2.gz HAUYFJNDNDDILX-INIZCTEOSA-N 1 1 356.426 1.049 10 0 FDAEMO O=C(c1ccc(CN2C(=O)CNC2=O)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195087149 178239491 /nfs/dbraw/zinc/23/94/91/178239491.db2.gz HAUYFJNDNDDILX-INIZCTEOSA-N 1 1 356.426 1.049 10 0 FDAEMO Cn1cc(N2CC[C@@H](N3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)C2=O)cn1 ZINC000195289790 178252794 /nfs/dbraw/zinc/25/27/94/178252794.db2.gz DUABQAZHBIDPDQ-IEBWSBKVSA-N 1 1 368.485 1.374 10 0 FDAEMO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195325528 178256478 /nfs/dbraw/zinc/25/64/78/178256478.db2.gz KKXNLPFMXVLPCT-AWEZNQCLSA-N 1 1 351.397 1.781 10 0 FDAEMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195324743 178256668 /nfs/dbraw/zinc/25/66/68/178256668.db2.gz TVABTNXABMLHLL-OAHLLOKOSA-N 1 1 363.483 1.356 10 0 FDAEMO O=C(CCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCC(c2ccccc2)=N1 ZINC000195322633 178257044 /nfs/dbraw/zinc/25/70/44/178257044.db2.gz OVUQGIBXFAMNGP-QGZVFWFLSA-N 1 1 354.454 1.710 10 0 FDAEMO Cc1oc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1S(=O)(=O)N1CCCC1 ZINC000195333531 178259257 /nfs/dbraw/zinc/25/92/57/178259257.db2.gz UPQYGIAAJGJOSZ-AWEZNQCLSA-N 1 1 367.471 1.293 10 0 FDAEMO CC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000245444122 178358789 /nfs/dbraw/zinc/35/87/89/178358789.db2.gz JJJJQOITWFTWQH-WOJBJXKFSA-N 1 1 373.497 1.702 10 0 FDAEMO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](O)COC(C)(C)C)CC2)n1 ZINC000245462383 178361314 /nfs/dbraw/zinc/36/13/14/178361314.db2.gz GLQFHKQGVISRSS-HUUCEWRRSA-N 1 1 370.494 1.461 10 0 FDAEMO COc1cc(CN2CC[N@H+]3CCC[C@H]3C2)cc(Cl)c1OCC(N)=O ZINC000245704074 178376529 /nfs/dbraw/zinc/37/65/29/178376529.db2.gz DRQHLRAZSXKIOU-ZDUSSCGKSA-N 1 1 353.850 1.493 10 0 FDAEMO C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1N1CCOCC1 ZINC000245789614 178381116 /nfs/dbraw/zinc/38/11/16/178381116.db2.gz VXHKQYGPVAYFPD-SJLPKXTDSA-N 1 1 361.486 1.306 10 0 FDAEMO COC(=O)CCN1CC[N@@H+](C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000245899265 178386821 /nfs/dbraw/zinc/38/68/21/178386821.db2.gz RVDDURIQNRVGDQ-FUHWJXTLSA-N 1 1 350.459 1.133 10 0 FDAEMO COC(=O)CC[N@@H+]1CCN(C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000245899265 178386822 /nfs/dbraw/zinc/38/68/22/178386822.db2.gz RVDDURIQNRVGDQ-FUHWJXTLSA-N 1 1 350.459 1.133 10 0 FDAEMO COC(=O)CC[N@H+]1CCN(C[C@@H](O)COCc2ccccc2)[C@@H](C)C1 ZINC000245899265 178386823 /nfs/dbraw/zinc/38/68/23/178386823.db2.gz RVDDURIQNRVGDQ-FUHWJXTLSA-N 1 1 350.459 1.133 10 0 FDAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000245590371 178368032 /nfs/dbraw/zinc/36/80/32/178368032.db2.gz OSPXNTLMHYJWHQ-ROUUACIJSA-N 1 1 358.486 1.961 10 0 FDAEMO CC[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)CC[N@H+]1C[C@H](C)O ZINC000245622479 178371535 /nfs/dbraw/zinc/37/15/35/178371535.db2.gz XCRFZXAIEMUHCQ-HOCLYGCPSA-N 1 1 362.474 1.824 10 0 FDAEMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1Cc2ccccc2O1 ZINC000245948401 178392525 /nfs/dbraw/zinc/39/25/25/178392525.db2.gz ANUXTIBMLQNLHT-AZUAARDMSA-N 1 1 352.434 1.526 10 0 FDAEMO CCOC(=O)N1CCC(NC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)CC1 ZINC000246027946 178395837 /nfs/dbraw/zinc/39/58/37/178395837.db2.gz MCWOYOHUKKOVGQ-IRXDYDNUSA-N 1 1 366.506 1.282 10 0 FDAEMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000246056490 178398247 /nfs/dbraw/zinc/39/82/47/178398247.db2.gz AMUYNIFWTACOAZ-XFQXTVEOSA-N 1 1 362.470 1.281 10 0 FDAEMO CCS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246083192 178399525 /nfs/dbraw/zinc/39/95/25/178399525.db2.gz HSXFJYNCYZFOKB-ZBFHGGJFSA-N 1 1 365.499 1.858 10 0 FDAEMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc[nH+]1 ZINC000263410471 178908160 /nfs/dbraw/zinc/90/81/60/178908160.db2.gz LHPPOAGHSTZYNB-HOTGVXAUSA-N 1 1 373.432 1.947 10 0 FDAEMO CCN(CCOc1ccc(F)cc1)C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000055393227 211948314 /nfs/dbraw/zinc/94/83/14/211948314.db2.gz TZIUEAULDWRSOW-UHFFFAOYSA-N 1 1 351.422 1.250 10 0 FDAEMO Cn1c(=O)cc(C[NH2+]Cc2cc(F)ccc2Br)n(C)c1=O ZINC000038039274 211364785 /nfs/dbraw/zinc/36/47/85/211364785.db2.gz UYXPICANFZOITB-UHFFFAOYSA-N 1 1 356.195 1.275 10 0 FDAEMO NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643748 258266947 /nfs/dbraw/zinc/26/69/47/258266947.db2.gz FZUPEACDPFFRFG-CQSZACIVSA-N 1 1 353.426 1.553 10 0 FDAEMO NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643748 258266948 /nfs/dbraw/zinc/26/69/48/258266948.db2.gz FZUPEACDPFFRFG-CQSZACIVSA-N 1 1 353.426 1.553 10 0 FDAEMO CC(C)c1noc(CN2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000170941409 258265699 /nfs/dbraw/zinc/26/56/99/258265699.db2.gz XLZWQDRDRPGJKX-MRXNPFEDSA-N 1 1 351.495 1.420 10 0 FDAEMO CC[C@H]1CN(CCCS(=O)(=O)c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000170937864 258265719 /nfs/dbraw/zinc/26/57/19/258265719.db2.gz CZCSXGQHCUGEKD-SJORKVTESA-N 1 1 354.516 1.627 10 0 FDAEMO CC[C@H]1CN(CCCS(=O)(=O)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000170937864 258265720 /nfs/dbraw/zinc/26/57/20/258265720.db2.gz CZCSXGQHCUGEKD-SJORKVTESA-N 1 1 354.516 1.627 10 0 FDAEMO Cc1cnc(NC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000172276266 258271952 /nfs/dbraw/zinc/27/19/52/258271952.db2.gz MRRGOBVFYIWBRL-HNNXBMFYSA-N 1 1 367.519 1.710 10 0 FDAEMO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172600451 258280261 /nfs/dbraw/zinc/28/02/61/258280261.db2.gz GRXVTXODAZUWBW-CQSZACIVSA-N 1 1 359.478 1.441 10 0 FDAEMO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172600451 258280262 /nfs/dbraw/zinc/28/02/62/258280262.db2.gz GRXVTXODAZUWBW-CQSZACIVSA-N 1 1 359.478 1.441 10 0 FDAEMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315037 258296089 /nfs/dbraw/zinc/29/60/89/258296089.db2.gz PUBIMDLKTXXNFQ-BDJLRTHQSA-N 1 1 354.414 1.754 10 0 FDAEMO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315037 258296090 /nfs/dbraw/zinc/29/60/90/258296090.db2.gz PUBIMDLKTXXNFQ-BDJLRTHQSA-N 1 1 354.414 1.754 10 0 FDAEMO C[N@@H+](CC(=O)N1CCOCC1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000073020805 172056404 /nfs/dbraw/zinc/05/64/04/172056404.db2.gz RQLDTHKWEDPRLO-INIZCTEOSA-N 1 1 356.850 1.008 10 0 FDAEMO C[N@H+](CC(=O)N1CCOCC1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000073020805 172056406 /nfs/dbraw/zinc/05/64/06/172056406.db2.gz RQLDTHKWEDPRLO-INIZCTEOSA-N 1 1 356.850 1.008 10 0 FDAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N3CCC[C@H](C(N)=O)C3)C2)cc1 ZINC000076389796 172108511 /nfs/dbraw/zinc/10/85/11/172108511.db2.gz DUEWBMGQQJVHLL-BHYGNILZSA-N 1 1 359.470 1.597 10 0 FDAEMO C[C@@H](CNC(=O)NCCC[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000078682271 172152774 /nfs/dbraw/zinc/15/27/74/172152774.db2.gz LLLWBSQWRRFFKJ-KRWDZBQOSA-N 1 1 360.502 1.455 10 0 FDAEMO Cc1cccc(N2CCC(NC(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)[nH+]1 ZINC000078977469 172156753 /nfs/dbraw/zinc/15/67/53/172156753.db2.gz OZWIZWNAABDTKT-HNNXBMFYSA-N 1 1 357.458 1.421 10 0 FDAEMO COc1cccc(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000089894784 172250193 /nfs/dbraw/zinc/25/01/93/172250193.db2.gz YRFBLZCYBAEFJE-MSOLQXFVSA-N 1 1 370.453 1.525 10 0 FDAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3cccnc3Cl)CC2)CCO1 ZINC000091208537 172277514 /nfs/dbraw/zinc/27/75/14/172277514.db2.gz QYDJDOOVTXNSSR-GFCCVEGCSA-N 1 1 366.849 1.385 10 0 FDAEMO CC(C)C[C@@H](CCO)CNC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000091861195 172289089 /nfs/dbraw/zinc/28/90/89/172289089.db2.gz FANRXOSSCLNGOZ-RTBURBONSA-N 1 1 368.566 1.843 10 0 FDAEMO CN(CCNC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000091844932 172289900 /nfs/dbraw/zinc/28/99/00/172289900.db2.gz KAQZHKNCBIAOFN-HXUWFJFHSA-N 1 1 373.545 1.934 10 0 FDAEMO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(OC)c1 ZINC000092044639 172293269 /nfs/dbraw/zinc/29/32/69/172293269.db2.gz WTUMMTLISUKNNB-INIZCTEOSA-N 1 1 354.472 1.704 10 0 FDAEMO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(OC)c1 ZINC000092044639 172293274 /nfs/dbraw/zinc/29/32/74/172293274.db2.gz WTUMMTLISUKNNB-INIZCTEOSA-N 1 1 354.472 1.704 10 0 FDAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000092225956 172294371 /nfs/dbraw/zinc/29/43/71/172294371.db2.gz FWVDUWJEKSHIIO-HZPDHXFCSA-N 1 1 372.469 1.859 10 0 FDAEMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc12 ZINC000101569622 172335321 /nfs/dbraw/zinc/33/53/21/172335321.db2.gz FXOUPWQVTWAOGV-KRWDZBQOSA-N 1 1 373.482 1.858 10 0 FDAEMO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc12 ZINC000101569625 172336192 /nfs/dbraw/zinc/33/61/92/172336192.db2.gz FXOUPWQVTWAOGV-QGZVFWFLSA-N 1 1 373.482 1.858 10 0 FDAEMO CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000101733498 172341339 /nfs/dbraw/zinc/34/13/39/172341339.db2.gz PVYMWIKSMYLPCB-ROUUACIJSA-N 1 1 364.486 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525578752 /nfs/dbraw/zinc/57/87/52/525578752.db2.gz QBWUVAYCPISUNI-ZIAGYGMSSA-N 1 1 362.499 1.646 10 0 FDAEMO CC[C@@H]1CN(C[C@H](O)COc2cc(C)ccc2C)CC[N@H+]1C[C@@H](C)O ZINC000106101346 525586418 /nfs/dbraw/zinc/58/64/18/525586418.db2.gz UYGYYEKUULREET-QRVBRYPASA-N 1 1 350.503 1.820 10 0 FDAEMO CC[C@@H]1C[N@H+](C[C@H](O)COc2cc(C)ccc2C)CCN1C[C@@H](C)O ZINC000106101346 525586429 /nfs/dbraw/zinc/58/64/29/525586429.db2.gz UYGYYEKUULREET-QRVBRYPASA-N 1 1 350.503 1.820 10 0 FDAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COc2cc(C)ccc2C)CCN1C[C@@H](C)O ZINC000106101346 525586442 /nfs/dbraw/zinc/58/64/42/525586442.db2.gz UYGYYEKUULREET-QRVBRYPASA-N 1 1 350.503 1.820 10 0 FDAEMO COCC[N@@H+]1CCN([C@H](C)C(=O)NCCOc2cccc(C)c2)C[C@H]1C ZINC000106108015 525597431 /nfs/dbraw/zinc/59/74/31/525597431.db2.gz CLILRIULEBRYOT-QZTJIDSGSA-N 1 1 363.502 1.531 10 0 FDAEMO COCC[N@H+]1CCN([C@H](C)C(=O)NCCOc2cccc(C)c2)C[C@H]1C ZINC000106108015 525597434 /nfs/dbraw/zinc/59/74/34/525597434.db2.gz CLILRIULEBRYOT-QZTJIDSGSA-N 1 1 363.502 1.531 10 0 FDAEMO COCCN1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000106109130 525598757 /nfs/dbraw/zinc/59/87/57/525598757.db2.gz VNHWRUXXSQPXKS-MRXNPFEDSA-N 1 1 359.470 1.715 10 0 FDAEMO COCC[N@@H+]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000106109130 525598771 /nfs/dbraw/zinc/59/87/71/525598771.db2.gz VNHWRUXXSQPXKS-MRXNPFEDSA-N 1 1 359.470 1.715 10 0 FDAEMO COCC[N@H+]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000106109130 525598779 /nfs/dbraw/zinc/59/87/79/525598779.db2.gz VNHWRUXXSQPXKS-MRXNPFEDSA-N 1 1 359.470 1.715 10 0 FDAEMO CC[C@H]1CN(CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@H+]1CCOC ZINC000106115120 525607589 /nfs/dbraw/zinc/60/75/89/525607589.db2.gz XPXOSTOJHCSYRB-FUHWJXTLSA-N 1 1 361.486 1.669 10 0 FDAEMO COC(=O)c1coc(CN2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106120667 525612957 /nfs/dbraw/zinc/61/29/57/525612957.db2.gz MTIHTKAUJYZIAA-SFHVURJKSA-N 1 1 365.474 1.293 10 0 FDAEMO C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCN(CCn2cccn2)CC1 ZINC000106130962 525624326 /nfs/dbraw/zinc/62/43/26/525624326.db2.gz FVBMJEAAKMKPSC-UHFFFAOYSA-N 1 1 372.498 1.549 10 0 FDAEMO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCN(CCn2cccn2)CC1 ZINC000106130962 525624332 /nfs/dbraw/zinc/62/43/32/525624332.db2.gz FVBMJEAAKMKPSC-UHFFFAOYSA-N 1 1 372.498 1.549 10 0 FDAEMO Cc1nn(C)c(C)c1CN1CC[NH+](C[C@H](O)COc2ccccc2C)CC1 ZINC000106141956 525628067 /nfs/dbraw/zinc/62/80/67/525628067.db2.gz AUMWASAEXOIERV-IBGZPJMESA-N 1 1 372.513 1.903 10 0 FDAEMO CC(C)CC(=O)N[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000179766386 525629716 /nfs/dbraw/zinc/62/97/16/525629716.db2.gz ZQLLAWMOKYIGBM-SFHVURJKSA-N 1 1 355.523 1.479 10 0 FDAEMO CC[C@H]1CN(C(=O)NCCCc2c(C)nn(C)c2C)CC[N@H+]1CCOC ZINC000179789967 525631481 /nfs/dbraw/zinc/63/14/81/525631481.db2.gz FHOYRUJHVKDALQ-KRWDZBQOSA-N 1 1 365.522 1.722 10 0 FDAEMO COc1ccc(CNC(=O)CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000106158136 525643635 /nfs/dbraw/zinc/64/36/35/525643635.db2.gz ZGTTYZFIGPEZFC-UHFFFAOYSA-N 1 1 371.485 1.253 10 0 FDAEMO COc1ccc(CNC(=O)CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000106158136 525643641 /nfs/dbraw/zinc/64/36/41/525643641.db2.gz ZGTTYZFIGPEZFC-UHFFFAOYSA-N 1 1 371.485 1.253 10 0 FDAEMO COc1ccc(CNC(=O)C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106158136 525643651 /nfs/dbraw/zinc/64/36/51/525643651.db2.gz ZGTTYZFIGPEZFC-UHFFFAOYSA-N 1 1 371.485 1.253 10 0 FDAEMO COc1ccc(CNC(=O)C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000106158136 525643656 /nfs/dbraw/zinc/64/36/56/525643656.db2.gz ZGTTYZFIGPEZFC-UHFFFAOYSA-N 1 1 371.485 1.253 10 0 FDAEMO Cn1cc(C[N@@H+]2CCCN(CC(=O)N3CCc4ccccc43)CC2)cn1 ZINC000106157189 525644045 /nfs/dbraw/zinc/64/40/45/525644045.db2.gz CKYWWWCJPISUEO-UHFFFAOYSA-N 1 1 353.470 1.517 10 0 FDAEMO Cn1cc(C[N@H+]2CCCN(CC(=O)N3CCc4ccccc43)CC2)cn1 ZINC000106157189 525644056 /nfs/dbraw/zinc/64/40/56/525644056.db2.gz CKYWWWCJPISUEO-UHFFFAOYSA-N 1 1 353.470 1.517 10 0 FDAEMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106176583 525655997 /nfs/dbraw/zinc/65/59/97/525655997.db2.gz PNNSEQGTMKFXQV-KGLIPLIRSA-N 1 1 356.430 1.116 10 0 FDAEMO CNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000129544690 525665209 /nfs/dbraw/zinc/66/52/09/525665209.db2.gz ZBHMFEHTADZBLE-MRXNPFEDSA-N 1 1 360.458 1.221 10 0 FDAEMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000106204183 525671149 /nfs/dbraw/zinc/67/11/49/525671149.db2.gz VYUACRDOFIXSQJ-OAHLLOKOSA-N 1 1 367.465 1.558 10 0 FDAEMO CC(C)(C)OC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000106204396 525671208 /nfs/dbraw/zinc/67/12/08/525671208.db2.gz PMTUSYUVZFJVPY-INIZCTEOSA-N 1 1 350.459 1.386 10 0 FDAEMO C[C@@H](C(=O)NC(C)(C)C)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000106205126 525671816 /nfs/dbraw/zinc/67/18/16/525671816.db2.gz JGMLXMPMKDTPJZ-IRXDYDNUSA-N 1 1 363.502 1.347 10 0 FDAEMO O=C(CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1)NC1CCCC1 ZINC000106205468 525673989 /nfs/dbraw/zinc/67/39/89/525673989.db2.gz PKQZYMHDSYBXAX-SFHVURJKSA-N 1 1 361.486 1.103 10 0 FDAEMO CCn1cnnc1C1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000119312503 525703599 /nfs/dbraw/zinc/70/35/99/525703599.db2.gz ZXYVRDXJYSPHLQ-INIZCTEOSA-N 1 1 357.462 1.407 10 0 FDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cnn(Cc3ccccc3)c2C)CC1 ZINC000106394722 525711104 /nfs/dbraw/zinc/71/11/04/525711104.db2.gz QDLPICQSWWXFJM-GOSISDBHSA-N 1 1 356.470 1.769 10 0 FDAEMO CCc1[nH]c(C(=O)N2CC[NH+](C[C@@H](O)CC)CC2)c(C)c1C(=O)OC ZINC000106395783 525711880 /nfs/dbraw/zinc/71/18/80/525711880.db2.gz UOQSIUGBLQBSLM-ZDUSSCGKSA-N 1 1 351.447 1.201 10 0 FDAEMO CCCc1c(C(=O)N2CC[NH+](C[C@H](O)CC)CC2)[nH]c(C)c1C(=O)OC ZINC000106396113 525713440 /nfs/dbraw/zinc/71/34/40/525713440.db2.gz FZLIGIIUXPBBGG-CQSZACIVSA-N 1 1 365.474 1.591 10 0 FDAEMO COCCN1CC[N@@H+](C[C@H](O)COCc2ccccc2OC)C[C@@H]1C ZINC000155088931 525739970 /nfs/dbraw/zinc/73/99/70/525739970.db2.gz GRJDQAWSZBQVAE-WMZOPIPTSA-N 1 1 352.475 1.225 10 0 FDAEMO COCC[N@@H+]1CCN(C[C@H](O)COCc2ccccc2OC)C[C@@H]1C ZINC000155088931 525739981 /nfs/dbraw/zinc/73/99/81/525739981.db2.gz GRJDQAWSZBQVAE-WMZOPIPTSA-N 1 1 352.475 1.225 10 0 FDAEMO COCC[N@H+]1CCN(C[C@H](O)COCc2ccccc2OC)C[C@@H]1C ZINC000155088931 525739987 /nfs/dbraw/zinc/73/99/87/525739987.db2.gz GRJDQAWSZBQVAE-WMZOPIPTSA-N 1 1 352.475 1.225 10 0 FDAEMO CC[C@@H]1C[N@@H+](C[C@H](O)COCc2ccccc2F)CCN1CCOC ZINC000155096353 525742765 /nfs/dbraw/zinc/74/27/65/525742765.db2.gz JXECQOYZCFIIDY-MSOLQXFVSA-N 1 1 354.466 1.746 10 0 FDAEMO CC[C@@H]1CN(C[C@H](O)COCc2ccccc2F)CC[N@@H+]1CCOC ZINC000155096353 525742772 /nfs/dbraw/zinc/74/27/72/525742772.db2.gz JXECQOYZCFIIDY-MSOLQXFVSA-N 1 1 354.466 1.746 10 0 FDAEMO CC[C@@H]1CN(C[C@H](O)COCc2ccccc2F)CC[N@H+]1CCOC ZINC000155096353 525742776 /nfs/dbraw/zinc/74/27/76/525742776.db2.gz JXECQOYZCFIIDY-MSOLQXFVSA-N 1 1 354.466 1.746 10 0 FDAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1(C(=O)OC)CCCCC1 ZINC000180831424 525761721 /nfs/dbraw/zinc/76/17/21/525761721.db2.gz NDSYEHHQFKUHNG-HZPDHXFCSA-N 1 1 351.491 1.537 10 0 FDAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000119529020 525776530 /nfs/dbraw/zinc/77/65/30/525776530.db2.gz QOBBOXKGZKMBHT-OXQOHEQNSA-N 1 1 372.469 1.591 10 0 FDAEMO O=C(CCc1ccccc1O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119656433 525818187 /nfs/dbraw/zinc/81/81/87/525818187.db2.gz ZMVPXLLZWLIASH-IBGZPJMESA-N 1 1 354.450 1.860 10 0 FDAEMO CC[C@@H]1CN(C(=O)NCCOc2ncccc2Cl)CC[N@H+]1CCOC ZINC000119701732 525832586 /nfs/dbraw/zinc/83/25/86/525832586.db2.gz RVNMNIUNUIWHSY-CQSZACIVSA-N 1 1 370.881 1.866 10 0 FDAEMO CC[C@@H]1CN(C(=O)Nc2ccnn2Cc2ccccn2)CC[N@H+]1C[C@@H](C)O ZINC000181285581 525834145 /nfs/dbraw/zinc/83/41/45/525834145.db2.gz XIZFVZCXVZYFFV-NVXWUHKLSA-N 1 1 372.473 1.635 10 0 FDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)Cc3ccsc3)CC2)C1 ZINC000107252367 525853987 /nfs/dbraw/zinc/85/39/87/525853987.db2.gz JPCJHISKTNSLQW-QGZVFWFLSA-N 1 1 351.516 1.544 10 0 FDAEMO Cc1nn(C)c(Cl)c1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119892157 525900253 /nfs/dbraw/zinc/90/02/53/525900253.db2.gz ARJZPFMNQZQJFG-HNNXBMFYSA-N 1 1 362.861 1.531 10 0 FDAEMO CC[C@@H]1CN(C(=O)NCc2cn3c(cccc3C)n2)CC[N@H+]1C[C@@H](C)O ZINC000181738255 525914410 /nfs/dbraw/zinc/91/44/10/525914410.db2.gz LIKUSBVFQAFDRD-NVXWUHKLSA-N 1 1 359.474 1.629 10 0 FDAEMO CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)CC1 ZINC000181753470 525920163 /nfs/dbraw/zinc/92/01/63/525920163.db2.gz CKDVWLLPPDNWRN-OAHLLOKOSA-N 1 1 364.494 1.080 10 0 FDAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)cn1 ZINC000155625469 525927471 /nfs/dbraw/zinc/92/74/71/525927471.db2.gz QBFCLXPPYJQMPP-SFHVURJKSA-N 1 1 360.433 1.717 10 0 FDAEMO Cn1cc(C[N@H+]2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)cn1 ZINC000155625469 525927478 /nfs/dbraw/zinc/92/74/78/525927478.db2.gz QBFCLXPPYJQMPP-SFHVURJKSA-N 1 1 360.433 1.717 10 0 FDAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C(N)=O)c(F)c2)C[C@H]1CC ZINC000120087205 525957953 /nfs/dbraw/zinc/95/79/53/525957953.db2.gz YRILRPBACMOUNC-CQSZACIVSA-N 1 1 366.437 1.889 10 0 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ZINC000181723281 525906305 /nfs/dbraw/zinc/90/63/05/525906305.db2.gz WKPYAPMIXAIDGD-CYBMUJFWSA-N 1 1 357.401 1.442 10 0 FDAEMO CC[C@@H]1CN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CC[N@H+]1C[C@@H](C)O ZINC000181846418 525953721 /nfs/dbraw/zinc/95/37/21/525953721.db2.gz KHVVSDWBZKUSBN-JJRVBVJISA-N 1 1 365.522 1.455 10 0 FDAEMO CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 ZINC000181985128 526008558 /nfs/dbraw/zinc/00/85/58/526008558.db2.gz SXCNDMYLWXESGS-QRQLOZEOSA-N 1 1 363.502 1.639 10 0 FDAEMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526517 526024771 /nfs/dbraw/zinc/02/47/71/526024771.db2.gz NHGKVNTYBPELOH-DLBZAZTESA-N 1 1 359.430 1.313 10 0 FDAEMO CC[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CCN1C[C@@H](C)O ZINC000182031736 526027141 /nfs/dbraw/zinc/02/71/41/526027141.db2.gz GVRWPCYMSKLORX-CPFNUKBASA-N 1 1 354.539 1.593 10 0 FDAEMO CNC(=O)c1ccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000109005590 526054438 /nfs/dbraw/zinc/05/44/38/526054438.db2.gz 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Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c1C ZINC000171702540 526084469 /nfs/dbraw/zinc/08/44/69/526084469.db2.gz LNYBOLOUCKATNX-OAHLLOKOSA-N 1 1 356.430 1.880 10 0 FDAEMO CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2cnn(C3CCOCC3)c2)[C@@H](C)C1 ZINC000133831647 526097402 /nfs/dbraw/zinc/09/74/02/526097402.db2.gz YPSJXUQOVDFYRF-BBRMVZONSA-N 1 1 356.492 1.242 10 0 FDAEMO O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171781230 526121190 /nfs/dbraw/zinc/12/11/90/526121190.db2.gz VTIUWRWNUWZGJS-VQTJNVASSA-N 1 1 372.513 1.420 10 0 FDAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000171821056 526137544 /nfs/dbraw/zinc/13/75/44/526137544.db2.gz YTJMSBOSMDXBKQ-UONOGXRCSA-N 1 1 354.476 1.033 10 0 FDAEMO CC(C)CCC(=O)NCC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000109644819 526149129 /nfs/dbraw/zinc/14/91/29/526149129.db2.gz OGCMLFYNRSWOTL-SFHVURJKSA-N 1 1 361.486 1.417 10 0 FDAEMO Cc1ccc(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)n1 ZINC000109648937 526150652 /nfs/dbraw/zinc/15/06/52/526150652.db2.gz JZNPFJWCVNXHJY-GOSISDBHSA-N 1 1 360.502 1.565 10 0 FDAEMO CCOc1ccc(OCC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109655419 526154371 /nfs/dbraw/zinc/15/43/71/526154371.db2.gz ZDEXYGRCFDAYSW-UHFFFAOYSA-N 1 1 372.469 1.932 10 0 FDAEMO CCOc1ccc(OCC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109655419 526154378 /nfs/dbraw/zinc/15/43/78/526154378.db2.gz ZDEXYGRCFDAYSW-UHFFFAOYSA-N 1 1 372.469 1.932 10 0 FDAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC2)cn1 ZINC000109662109 526158499 /nfs/dbraw/zinc/15/84/99/526158499.db2.gz POSRSXDLGQTFGV-HNNXBMFYSA-N 1 1 373.457 1.349 10 0 FDAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC2)cn1 ZINC000109662109 526158514 /nfs/dbraw/zinc/15/85/14/526158514.db2.gz POSRSXDLGQTFGV-HNNXBMFYSA-N 1 1 373.457 1.349 10 0 FDAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3cnn(C)c3)CC2)cn1 ZINC000109665958 526161649 /nfs/dbraw/zinc/16/16/49/526161649.db2.gz SQDSSPDRKKNEKM-UHFFFAOYSA-N 1 1 358.490 1.694 10 0 FDAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3cnn(C)c3)CC2)cn1 ZINC000109665958 526161658 /nfs/dbraw/zinc/16/16/58/526161658.db2.gz SQDSSPDRKKNEKM-UHFFFAOYSA-N 1 1 358.490 1.694 10 0 FDAEMO CNS(=O)(=O)c1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1C ZINC000171887354 526166535 /nfs/dbraw/zinc/16/65/35/526166535.db2.gz OGNSNCRZBYXQHP-CQSZACIVSA-N 1 1 352.460 1.215 10 0 FDAEMO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171886946 526167277 /nfs/dbraw/zinc/16/72/77/526167277.db2.gz LRMSCGGYVBIHEZ-GFCCVEGCSA-N 1 1 359.398 1.995 10 0 FDAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnc3c(cnn3C)c2OC)C[C@H]1C ZINC000182447612 526178570 /nfs/dbraw/zinc/17/85/70/526178570.db2.gz XBFVGEHCCQCCBK-CYBMUJFWSA-N 1 1 361.446 1.160 10 0 FDAEMO CCOCC[N@H+]1CCN(C(=O)c2cnc3c(cnn3C)c2OC)C[C@H]1C ZINC000182447612 526178575 /nfs/dbraw/zinc/17/85/75/526178575.db2.gz XBFVGEHCCQCCBK-CYBMUJFWSA-N 1 1 361.446 1.160 10 0 FDAEMO NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](COc3ccccc3)C2)CC1 ZINC000091635845 526883883 /nfs/dbraw/zinc/88/38/83/526883883.db2.gz KBJZVXULQHJGTK-INIZCTEOSA-N 1 1 359.470 1.501 10 0 FDAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3-n3ccnn3)CC2)cn1 ZINC000182643560 535838716 /nfs/dbraw/zinc/83/87/16/535838716.db2.gz PUKUALYOSMFTRY-UHFFFAOYSA-N 1 1 365.441 1.349 10 0 FDAEMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccccc3-n3ccnn3)CC2)cn1 ZINC000182643560 535838722 /nfs/dbraw/zinc/83/87/22/535838722.db2.gz PUKUALYOSMFTRY-UHFFFAOYSA-N 1 1 365.441 1.349 10 0 FDAEMO OCc1ccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000182758676 535857509 /nfs/dbraw/zinc/85/75/09/535857509.db2.gz PFBNWCSWAASVSF-HXUWFJFHSA-N 1 1 356.466 1.736 10 0 FDAEMO OCc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000182758676 535857512 /nfs/dbraw/zinc/85/75/12/535857512.db2.gz PFBNWCSWAASVSF-HXUWFJFHSA-N 1 1 356.466 1.736 10 0 FDAEMO Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)ccc1Br ZINC000184723414 536179603 /nfs/dbraw/zinc/17/96/03/536179603.db2.gz CTSZLNWOSBQNEF-CYZMBNFOSA-N 1 1 357.248 1.512 10 0 FDAEMO Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@@H]2CO)ccc1Br ZINC000184723414 536179607 /nfs/dbraw/zinc/17/96/07/536179607.db2.gz CTSZLNWOSBQNEF-CYZMBNFOSA-N 1 1 357.248 1.512 10 0 FDAEMO CC[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000184831601 536186323 /nfs/dbraw/zinc/18/63/23/536186323.db2.gz PHMQSRRRTFDSDH-XLIONFOSSA-N 1 1 374.529 1.531 10 0 FDAEMO CC[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CC[N@H+]1C[C@@H](C)O ZINC000184831601 536186325 /nfs/dbraw/zinc/18/63/25/536186325.db2.gz PHMQSRRRTFDSDH-XLIONFOSSA-N 1 1 374.529 1.531 10 0 FDAEMO CC[C@H]1CN(C(=O)NCc2ccc(OC)c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000184866916 536188528 /nfs/dbraw/zinc/18/85/28/536188528.db2.gz LLQPYRPNWSQKNF-HIFRSBDPSA-N 1 1 353.438 1.821 10 0 FDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1 ZINC000184869667 536188563 /nfs/dbraw/zinc/18/85/63/536188563.db2.gz DEBKEUJAPLOCDY-SJLPKXTDSA-N 1 1 360.502 1.536 10 0 FDAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1 ZINC000184924114 536191541 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374.485 1.616 10 0 FDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1 ZINC000171653617 258267708 /nfs/dbraw/zinc/26/77/08/258267708.db2.gz IBPOSZFOMBOJKK-MRXNPFEDSA-N 1 1 358.442 1.584 10 0 FDAEMO Cc1cnc(NC(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000172276259 258272194 /nfs/dbraw/zinc/27/21/94/258272194.db2.gz MRRGOBVFYIWBRL-OAHLLOKOSA-N 1 1 367.519 1.710 10 0 FDAEMO NC(=O)[C@@H](c1ccc(Br)cc1F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172794949 258285445 /nfs/dbraw/zinc/28/54/45/258285445.db2.gz AUQSQMDRRXOVGM-BXUZGUMPSA-N 1 1 356.239 1.895 10 0 FDAEMO C[NH+]1CCN(C(=O)CC2CCN(c3cc(=O)n4ccccc4n3)CC2)CC1 ZINC000066860373 172000140 /nfs/dbraw/zinc/00/01/40/172000140.db2.gz HPWNJBGTTFVPOS-UHFFFAOYSA-N 1 1 369.469 1.075 10 0 FDAEMO Cc1ccc(C(N)=O)cc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000069602598 172031065 /nfs/dbraw/zinc/03/10/65/172031065.db2.gz WARPFQUPYZGMHD-CQSZACIVSA-N 1 1 360.458 1.811 10 0 FDAEMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000075838364 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Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)C2 ZINC000080242845 787995199 /nfs/dbraw/zinc/99/51/99/787995199.db2.gz CBCMDEMXVVEYFI-MJGOQNOKSA-N 1 1 371.481 1.372 10 0 FDAEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]cc4nc(C(F)(F)F)nc3-4)[C@H]2C1 ZINC000908094636 854970434 /nfs/dbraw/zinc/97/04/34/854970434.db2.gz BKQBUNVWDKGCTE-RYUDHWBXSA-N 1 1 369.347 1.522 10 0 FDAEMO COc1ccc(C(=O)N2C[C@H]3CC[N@@H+](C)C[C@@H]3C2)cc1S(C)(=O)=O ZINC000908331596 855311702 /nfs/dbraw/zinc/31/17/02/855311702.db2.gz VFAONAICYZCPBU-ZIAGYGMSSA-N 1 1 352.456 1.122 10 0 FDAEMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1Cc2ccccc2CO1 ZINC000702637911 884112248 /nfs/dbraw/zinc/11/22/48/884112248.db2.gz UYMJRZRPNJZYKG-IFMALSPDSA-N 1 1 366.461 1.881 10 0 FDAEMO CC(C)(C)[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000686818846 976118820 /nfs/dbraw/zinc/11/88/20/976118820.db2.gz UOOQOVPOSZRQNQ-QGZVFWFLSA-N 1 1 361.486 1.986 10 0 FDAEMO COCc1noc(CN2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 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OGGTZLUTOPMUKE-ZWKOTPCHSA-N 1 1 369.550 1.834 10 0 FDAEMO Cn1nccc1CNC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192228887 178103566 /nfs/dbraw/zinc/10/35/66/178103566.db2.gz SKCJOLVCVCNZFE-UHFFFAOYSA-N 1 1 365.478 1.368 10 0 FDAEMO Cn1nccc1CNC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192228887 178103568 /nfs/dbraw/zinc/10/35/68/178103568.db2.gz SKCJOLVCVCNZFE-UHFFFAOYSA-N 1 1 365.478 1.368 10 0 FDAEMO CN(C)c1noc(CN2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192822723 178134024 /nfs/dbraw/zinc/13/40/24/178134024.db2.gz IFELZHDSYOQMQB-AWEZNQCLSA-N 1 1 367.494 1.764 10 0 FDAEMO CN(C)c1noc(CN2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192822723 178134026 /nfs/dbraw/zinc/13/40/26/178134026.db2.gz IFELZHDSYOQMQB-AWEZNQCLSA-N 1 1 367.494 1.764 10 0 FDAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)[C@@H](C)C1 ZINC000193536650 178167600 /nfs/dbraw/zinc/16/76/00/178167600.db2.gz FRXGBSCALIFBNN-JQWIXIFHSA-N 1 1 358.364 1.884 10 0 FDAEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3ccnc(C)n3)c2)C1 ZINC000194153857 178200228 /nfs/dbraw/zinc/20/02/28/178200228.db2.gz UNAXDVOZXGMKQS-QGZVFWFLSA-N 1 1 367.453 1.991 10 0 FDAEMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000195042156 178236853 /nfs/dbraw/zinc/23/68/53/178236853.db2.gz YKWRFDCZOCTORF-HNNXBMFYSA-N 1 1 365.499 1.604 10 0 FDAEMO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000195042156 178236854 /nfs/dbraw/zinc/23/68/54/178236854.db2.gz YKWRFDCZOCTORF-HNNXBMFYSA-N 1 1 365.499 1.604 10 0 FDAEMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195078165 178238723 /nfs/dbraw/zinc/23/87/23/178238723.db2.gz QZARYXAFLLJFIT-HNNXBMFYSA-N 1 1 354.454 1.943 10 0 FDAEMO CSC1(CNC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CCC1 ZINC000195109102 178240409 /nfs/dbraw/zinc/24/04/09/178240409.db2.gz DHSAWBYGQKOJBQ-KRWDZBQOSA-N 1 1 363.527 1.991 10 0 FDAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000195295028 178254226 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Cn1ncc2c1ncnc2N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268781 178106327 /nfs/dbraw/zinc/10/63/27/178106327.db2.gz VHFSRVKLMRGXDW-CQSZACIVSA-N 1 1 374.489 1.996 10 0 FDAEMO Cn1ncc2c1ncnc2N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192268781 178106328 /nfs/dbraw/zinc/10/63/28/178106328.db2.gz VHFSRVKLMRGXDW-CQSZACIVSA-N 1 1 374.489 1.996 10 0 FDAEMO COCCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000194453827 178212429 /nfs/dbraw/zinc/21/24/29/178212429.db2.gz CPQSLQJTDVCEBC-QUCCMNQESA-N 1 1 374.529 1.871 10 0 FDAEMO COc1ccc(-n2nnc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2C)cc1 ZINC000195071679 178237498 /nfs/dbraw/zinc/23/74/98/178237498.db2.gz DCCTVMOPUJHKNQ-MRXNPFEDSA-N 1 1 355.442 1.895 10 0 FDAEMO COc1ccc(-n2nnc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2C)cc1 ZINC000195071679 178237500 /nfs/dbraw/zinc/23/75/00/178237500.db2.gz DCCTVMOPUJHKNQ-MRXNPFEDSA-N 1 1 355.442 1.895 10 0 FDAEMO CS(=O)(=O)c1ccc(OCCCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000195339191 178258697 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RFSCDEYOBWGTTA-PMACEKPBSA-N 1 1 366.461 1.773 10 0 FDAEMO CC[C@H]1CN(C(=O)Nc2nc3c(s2)COCC3)CC[N@H+]1C[C@H](C)O ZINC000246083367 178399392 /nfs/dbraw/zinc/39/93/92/178399392.db2.gz FSQOVYZIWNWHTL-RYUDHWBXSA-N 1 1 354.476 1.525 10 0 FDAEMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000073807477 210212644 /nfs/dbraw/zinc/21/26/44/210212644.db2.gz XQDIHEDQTAMUCT-UHFFFAOYSA-N 1 1 351.878 1.895 10 0 FDAEMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000073807477 210212648 /nfs/dbraw/zinc/21/26/48/210212648.db2.gz XQDIHEDQTAMUCT-UHFFFAOYSA-N 1 1 351.878 1.895 10 0 FDAEMO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000029848402 210184837 /nfs/dbraw/zinc/18/48/37/210184837.db2.gz LRCHNLJTXNDRGU-CYBMUJFWSA-N 1 1 367.881 1.158 10 0 FDAEMO C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000029848402 210184843 /nfs/dbraw/zinc/18/48/43/210184843.db2.gz LRCHNLJTXNDRGU-CYBMUJFWSA-N 1 1 367.881 1.158 10 0 FDAEMO Cc1nn(Cn2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)c(C)c1Cl 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1 356.430 1.302 10 0 FDAEMO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000171527486 258266501 /nfs/dbraw/zinc/26/65/01/258266501.db2.gz LRUOSVJBGROYIP-BBRMVZONSA-N 1 1 356.430 1.302 10 0 FDAEMO CC(C)c1nnc(CN2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C ZINC000170941346 258265505 /nfs/dbraw/zinc/26/55/05/258265505.db2.gz JUMMSHVDDCEAPJ-KRWDZBQOSA-N 1 1 364.538 1.165 10 0 FDAEMO C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC000172307205 258273038 /nfs/dbraw/zinc/27/30/38/258273038.db2.gz OLRJGWGYAOTHRA-LLVKDONJSA-N 1 1 367.247 1.728 10 0 FDAEMO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172601412 258280520 /nfs/dbraw/zinc/28/05/20/258280520.db2.gz XAHXVXGEZRJLBX-BEFAXECRSA-N 1 1 371.485 1.850 10 0 FDAEMO C[C@@H](O)CN1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000173235363 258294239 /nfs/dbraw/zinc/29/42/39/258294239.db2.gz CUSRNQSPSVCSCO-QZTJIDSGSA-N 1 1 374.529 1.748 10 0 FDAEMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1ccnc(N2CCCCC2)n1 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526023502 /nfs/dbraw/zinc/02/35/02/526023502.db2.gz DRQAZGUXAJVRGF-MRXNPFEDSA-N 1 1 374.514 1.321 10 0 FDAEMO C[N@@H+]1CCO[C@H](CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C1 ZINC000108945744 526045773 /nfs/dbraw/zinc/04/57/73/526045773.db2.gz AWNKPKPSQHGOTL-LLVKDONJSA-N 1 1 370.787 1.907 10 0 FDAEMO C[N@H+]1CCO[C@H](CNc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C1 ZINC000108945744 526045782 /nfs/dbraw/zinc/04/57/82/526045782.db2.gz AWNKPKPSQHGOTL-LLVKDONJSA-N 1 1 370.787 1.907 10 0 FDAEMO O=C(C[N@@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000171701410 526080791 /nfs/dbraw/zinc/08/07/91/526080791.db2.gz JHKLEZHTMZLDGV-GOSISDBHSA-N 1 1 370.457 1.390 10 0 FDAEMO O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000171701410 526080800 /nfs/dbraw/zinc/08/08/00/526080800.db2.gz JHKLEZHTMZLDGV-GOSISDBHSA-N 1 1 370.457 1.390 10 0 FDAEMO Cc1ncc(C(=O)N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000171814803 526133507 /nfs/dbraw/zinc/13/35/07/526133507.db2.gz QBKGUGBLXIHROR-OAHLLOKOSA-N 1 1 352.504 1.319 10 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FDAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2-n2ccc(C)n2)CC1 ZINC000182011055 526020433 /nfs/dbraw/zinc/02/04/33/526020433.db2.gz OEJOXFAHRHUKFF-GOSISDBHSA-N 1 1 371.485 1.779 10 0 FDAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN1C[C@@H](C)O ZINC000182060873 526039302 /nfs/dbraw/zinc/03/93/02/526039302.db2.gz XGQWIMXDGZKJCT-VBSBHUPXSA-N 1 1 374.529 1.918 10 0 FDAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN1C[C@@H](C)O ZINC000182060873 526039310 /nfs/dbraw/zinc/03/93/10/526039310.db2.gz XGQWIMXDGZKJCT-VBSBHUPXSA-N 1 1 374.529 1.918 10 0 FDAEMO COC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000182147052 526072263 /nfs/dbraw/zinc/07/22/63/526072263.db2.gz GWGHCSSWDQFVJW-MRXNPFEDSA-N 1 1 359.426 1.758 10 0 FDAEMO COC(=O)c1ccccc1OCC[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000182147052 526072271 /nfs/dbraw/zinc/07/22/71/526072271.db2.gz GWGHCSSWDQFVJW-MRXNPFEDSA-N 1 1 359.426 1.758 10 0 FDAEMO CNC(=O)[C@H]1CCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 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KJIXZTFJDXSPNR-IAGOWNOFSA-N 1 1 364.486 1.742 10 0 FDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000109645986 526148782 /nfs/dbraw/zinc/14/87/82/526148782.db2.gz RSVYTIPNQKXPLV-MRXNPFEDSA-N 1 1 367.440 1.832 10 0 FDAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC000109645877 526149041 /nfs/dbraw/zinc/14/90/41/526149041.db2.gz VCQDPSPUUZMVLK-LJQANCHMSA-N 1 1 363.477 1.622 10 0 FDAEMO O=C(NC1CCN(C(=O)c2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899435 526171935 /nfs/dbraw/zinc/17/19/35/526171935.db2.gz SCTHRGLQDHJJMD-GOSISDBHSA-N 1 1 356.470 1.781 10 0 FDAEMO O=C(NCc1cccc(CN2CCCC2=O)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900655 526173416 /nfs/dbraw/zinc/17/34/16/526173416.db2.gz FZHDMZWGIHWZDW-SFHVURJKSA-N 1 1 356.470 1.799 10 0 FDAEMO Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(C)nn(C)c3Cl)C2=O)n(C)n1 ZINC000182483324 526187014 /nfs/dbraw/zinc/18/70/14/526187014.db2.gz ZMQPVJYWSDUJSP-CYBMUJFWSA-N 1 1 350.854 1.709 10 0 FDAEMO 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