smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCC[N@H+]1CCN(Cn2nc(C)c(Br)c2C)C[C@@H]1CC ZINC000152620371 728762563 /nfs/dbraw/zinc/76/25/63/728762563.db2.gz KAVAMFPXTIJBSZ-HNNXBMFYSA-N 1 1 373.339 2.653 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000155762614 728835800 /nfs/dbraw/zinc/83/58/00/728835800.db2.gz ZMNLJCWWYVYVHA-WCVJEAGWSA-N 1 1 353.507 2.525 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000155947865 728839366 /nfs/dbraw/zinc/83/93/66/728839366.db2.gz KKHAECCFVCIPHT-HOTGVXAUSA-N 1 1 355.523 2.916 10 0 FFAEMO COCC[N@H+]1CCN(Cn2c(CCC3CCCC3)n[nH]c2=S)C[C@@H]1C ZINC000117323459 728577654 /nfs/dbraw/zinc/57/76/54/728577654.db2.gz WEFLGMAUTQHAEU-HNNXBMFYSA-N 1 1 367.563 2.673 10 0 FFAEMO FC(F)Sc1nc2ccccc2n1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000172960662 729037366 /nfs/dbraw/zinc/03/73/66/729037366.db2.gz KEASFJJWPKAICH-CYBMUJFWSA-N 1 1 368.453 2.715 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177030200 729126689 /nfs/dbraw/zinc/12/66/89/729126689.db2.gz NTNBXDIBGPBGKQ-MRXNPFEDSA-N 1 1 353.507 2.576 10 0 FFAEMO Cc1cc(C)nc(SCC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000179720529 729192982 /nfs/dbraw/zinc/19/29/82/729192982.db2.gz LFEWGZHEIYFGES-INIZCTEOSA-N 1 1 358.511 2.822 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000186127121 729360962 /nfs/dbraw/zinc/36/09/62/729360962.db2.gz PECVJAPJZWXVSB-QGZVFWFLSA-N 1 1 364.511 2.728 10 0 FFAEMO CC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000188221871 729385747 /nfs/dbraw/zinc/38/57/47/729385747.db2.gz KMSSKWVFKLPDPG-CQSZACIVSA-N 1 1 360.907 2.797 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000190075534 729404771 /nfs/dbraw/zinc/40/47/71/729404771.db2.gz JLECSCMEMLOWGH-DGCLKSJQSA-N 1 1 369.437 2.635 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000192440052 729425298 /nfs/dbraw/zinc/42/52/98/729425298.db2.gz WQKDDLGTVSDHBO-HNNXBMFYSA-N 1 1 365.905 2.817 10 0 FFAEMO CCOCC[N@H+]1CCN(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C[C@H]1C ZINC000245573875 729572297 /nfs/dbraw/zinc/57/22/97/729572297.db2.gz AIOLSQSUORRSMV-CRAIPNDOSA-N 1 1 365.905 2.876 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[C@@H](O)c1cccs1 ZINC000246533749 729587585 /nfs/dbraw/zinc/58/75/85/729587585.db2.gz JYXQHYMFYSYKEQ-BZUAXINKSA-N 1 1 353.532 2.980 10 0 FFAEMO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246734947 729590055 /nfs/dbraw/zinc/59/00/55/729590055.db2.gz ASQINZBGUDRMNG-FZKCQIBNSA-N 1 1 355.523 2.771 10 0 FFAEMO C[N@@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@](C)(O)c1ccccc1 ZINC000247733532 729599932 /nfs/dbraw/zinc/59/99/32/729599932.db2.gz MNPRZSOGWIYZLC-QUCCMNQESA-N 1 1 360.523 2.961 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000255008791 729629313 /nfs/dbraw/zinc/62/93/13/729629313.db2.gz SGTLUNFSADRCQP-ZHUYAKLQSA-N 1 1 373.316 2.824 10 0 FFAEMO c1ccc2c(c1)O[C@H](Cc1nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no1)CS2 ZINC000333789924 729811199 /nfs/dbraw/zinc/81/11/99/729811199.db2.gz DDYBPXLPKLKZKM-GUTXKFCHSA-N 1 1 359.451 2.701 10 0 FFAEMO c1ccc2c(c1)O[C@H](Cc1nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no1)CS2 ZINC000333789924 729811201 /nfs/dbraw/zinc/81/12/01/729811201.db2.gz DDYBPXLPKLKZKM-GUTXKFCHSA-N 1 1 359.451 2.701 10 0 FFAEMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637901956 729996516 /nfs/dbraw/zinc/99/65/16/729996516.db2.gz OKWGTGSZRDBFDS-JYJNAYRXSA-N 1 1 357.420 2.683 10 0 FFAEMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637901956 729996517 /nfs/dbraw/zinc/99/65/17/729996517.db2.gz OKWGTGSZRDBFDS-JYJNAYRXSA-N 1 1 357.420 2.683 10 0 FFAEMO Cc1noc(C[C@]2(O)CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)n1 ZINC000888078928 734011130 /nfs/dbraw/zinc/01/11/30/734011130.db2.gz JRZZHHQKPORAND-MRXNPFEDSA-N 1 1 355.360 2.966 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000129870057 981211905 /nfs/dbraw/zinc/21/19/05/981211905.db2.gz WZRHOQGKDKCVQX-QUCCMNQESA-N 1 1 368.481 2.914 10 0 FFAEMO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036098593 205005765 /nfs/dbraw/zinc/00/57/65/205005765.db2.gz PYUYQKYFMACHSX-QHCPKHFHSA-N 1 1 368.521 2.733 10 0 FFAEMO C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc21 ZINC000038318165 205039541 /nfs/dbraw/zinc/03/95/41/205039541.db2.gz MTRMACOHLXKTOY-PWSUYJOCSA-N 1 1 355.364 2.584 10 0 FFAEMO Cc1cccc(Cn2ccc3cc(S(=O)(=O)N4CC[NH2+]CC4)ccc32)c1 ZINC000049454460 205171493 /nfs/dbraw/zinc/17/14/93/205171493.db2.gz KFSUSVWSOSLMRS-UHFFFAOYSA-N 1 1 369.490 2.592 10 0 FFAEMO COC(=O)c1nn(-c2cc[nH+]cc2)c(C(C)C)c1I ZINC000059326716 205279992 /nfs/dbraw/zinc/27/99/92/205279992.db2.gz DQNWRWFCODJJEQ-UHFFFAOYSA-N 1 1 371.178 2.782 10 0 FFAEMO COC[C@H](O)C[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000050119792 206098927 /nfs/dbraw/zinc/09/89/27/206098927.db2.gz LCBLJVVBCUBYEL-SECBINFHSA-N 1 1 355.649 2.524 10 0 FFAEMO COC[C@H](O)C[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000050119792 206098929 /nfs/dbraw/zinc/09/89/29/206098929.db2.gz LCBLJVVBCUBYEL-SECBINFHSA-N 1 1 355.649 2.524 10 0 FFAEMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000025234091 249337717 /nfs/dbraw/zinc/33/77/17/249337717.db2.gz VWCAUVHZQZLMIE-LAUBAEHRSA-N 1 1 366.465 2.838 10 0 FFAEMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788784 250003656 /nfs/dbraw/zinc/00/36/56/250003656.db2.gz QBBAMLRGXJJRQB-MRXNPFEDSA-N 1 1 359.495 2.990 10 0 FFAEMO C[N@@H+]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)c2ccccc2C1 ZINC000103411549 250148857 /nfs/dbraw/zinc/14/88/57/250148857.db2.gz WSFGHFRNCPLMFF-UHFFFAOYSA-N 1 1 363.461 2.901 10 0 FFAEMO C[N@H+]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)c2ccccc2C1 ZINC000103411549 250148862 /nfs/dbraw/zinc/14/88/62/250148862.db2.gz WSFGHFRNCPLMFF-UHFFFAOYSA-N 1 1 363.461 2.901 10 0 FFAEMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000104327637 250173875 /nfs/dbraw/zinc/17/38/75/250173875.db2.gz BQPFLMUZKDEUGE-HXUWFJFHSA-N 1 1 369.509 2.689 10 0 FFAEMO COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCSCC2)c1 ZINC000103467609 250151854 /nfs/dbraw/zinc/15/18/54/250151854.db2.gz UNRJHRHUVCCAHY-RHSMWYFYSA-N 1 1 364.511 2.805 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000103477510 250153602 /nfs/dbraw/zinc/15/36/02/250153602.db2.gz ZISKMGHQGGTMSE-CQSZACIVSA-N 1 1 356.405 2.867 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000103477510 250153606 /nfs/dbraw/zinc/15/36/06/250153606.db2.gz ZISKMGHQGGTMSE-CQSZACIVSA-N 1 1 356.405 2.867 10 0 FFAEMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000103476857 250154119 /nfs/dbraw/zinc/15/41/19/250154119.db2.gz JIPDKOSJSSYDOR-JKSUJKDBSA-N 1 1 371.485 2.903 10 0 FFAEMO CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000103476857 250154123 /nfs/dbraw/zinc/15/41/23/250154123.db2.gz JIPDKOSJSSYDOR-JKSUJKDBSA-N 1 1 371.485 2.903 10 0 FFAEMO COc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1N1CCCC1=O ZINC000104996376 250193614 /nfs/dbraw/zinc/19/36/14/250193614.db2.gz LWBOIILKHYZKMS-INIZCTEOSA-N 1 1 372.469 2.524 10 0 FFAEMO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104993135 250194090 /nfs/dbraw/zinc/19/40/90/250194090.db2.gz XTJIJTASLRQUHK-KRWDZBQOSA-N 1 1 370.497 2.933 10 0 FFAEMO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081637 250233084 /nfs/dbraw/zinc/23/30/84/250233084.db2.gz XHILBFISTDVMCL-CQSZACIVSA-N 1 1 373.888 2.711 10 0 FFAEMO CCc1ccc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000106085015 250233301 /nfs/dbraw/zinc/23/33/01/250233301.db2.gz BNPQDOSOOHKZHP-UHFFFAOYSA-N 1 1 353.470 2.578 10 0 FFAEMO Cc1ncc(CN2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)s1 ZINC000106089778 250234595 /nfs/dbraw/zinc/23/45/95/250234595.db2.gz OXGMABLILZPQBN-UHFFFAOYSA-N 1 1 362.474 2.737 10 0 FFAEMO CC[C@@H]1CN(CCC(=O)Nc2ccccc2SC)CC[N@H+]1CCOC ZINC000106114583 250237098 /nfs/dbraw/zinc/23/70/98/250237098.db2.gz VGNBIZTXGWBQTI-MRXNPFEDSA-N 1 1 365.543 2.780 10 0 FFAEMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CCN1CCOC ZINC000106114583 250237102 /nfs/dbraw/zinc/23/71/02/250237102.db2.gz VGNBIZTXGWBQTI-MRXNPFEDSA-N 1 1 365.543 2.780 10 0 FFAEMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CCN1CCOC ZINC000106114583 250237107 /nfs/dbraw/zinc/23/71/07/250237107.db2.gz VGNBIZTXGWBQTI-MRXNPFEDSA-N 1 1 365.543 2.780 10 0 FFAEMO CC[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000106104061 250238552 /nfs/dbraw/zinc/23/85/52/250238552.db2.gz RMAZNQLQBOJEBH-OCCSQVGLSA-N 1 1 374.312 2.709 10 0 FFAEMO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000106155852 250244149 /nfs/dbraw/zinc/24/41/49/250244149.db2.gz KSQJTEKLEJGHKX-SFHVURJKSA-N 1 1 369.513 2.572 10 0 FFAEMO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000106155852 250244152 /nfs/dbraw/zinc/24/41/52/250244152.db2.gz KSQJTEKLEJGHKX-SFHVURJKSA-N 1 1 369.513 2.572 10 0 FFAEMO Cn1cc(CN2CCC[N@@H+](Cc3cccc(OC(F)F)c3)CC2)cn1 ZINC000106154646 250244581 /nfs/dbraw/zinc/24/45/81/250244581.db2.gz ZPHVQQOAZXTMGH-UHFFFAOYSA-N 1 1 350.413 2.729 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)cn1 ZINC000106154646 250244584 /nfs/dbraw/zinc/24/45/84/250244584.db2.gz ZPHVQQOAZXTMGH-UHFFFAOYSA-N 1 1 350.413 2.729 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(Cc3cccc(OC(F)F)c3)CC2)cn1 ZINC000106154646 250244589 /nfs/dbraw/zinc/24/45/89/250244589.db2.gz ZPHVQQOAZXTMGH-UHFFFAOYSA-N 1 1 350.413 2.729 10 0 FFAEMO Clc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000106176196 250248180 /nfs/dbraw/zinc/24/81/80/250248180.db2.gz QBKQNTVKGFMUHG-CYBMUJFWSA-N 1 1 358.833 2.894 10 0 FFAEMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)o2)cc1 ZINC000106176196 250248183 /nfs/dbraw/zinc/24/81/83/250248183.db2.gz QBKQNTVKGFMUHG-CYBMUJFWSA-N 1 1 358.833 2.894 10 0 FFAEMO CCN(C(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000106172241 250248350 /nfs/dbraw/zinc/24/83/50/250248350.db2.gz IGROBHHNLINYQN-SJORKVTESA-N 1 1 373.476 2.739 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](O)c3c(F)cccc3F)C2)n1 ZINC000106178076 250248514 /nfs/dbraw/zinc/24/85/14/250248514.db2.gz FLKLOJWNHUPAAO-YOEHRIQHSA-N 1 1 350.413 2.619 10 0 FFAEMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106077233 250230707 /nfs/dbraw/zinc/23/07/07/250230707.db2.gz PYLSOBQQVLMDBG-SFHVURJKSA-N 1 1 367.497 2.887 10 0 FFAEMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000106427169 250269483 /nfs/dbraw/zinc/26/94/83/250269483.db2.gz DUCKCJLMWKBDQN-LJQANCHMSA-N 1 1 351.450 2.925 10 0 FFAEMO CCNC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106434456 250271514 /nfs/dbraw/zinc/27/15/14/250271514.db2.gz BKDWWCUZSUZMBC-SFHVURJKSA-N 1 1 354.454 2.939 10 0 FFAEMO Cc1cnn(C[C@H]2C[N@H+](CCCc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000106197269 250252885 /nfs/dbraw/zinc/25/28/85/250252885.db2.gz WZEDPLMQMRVHCG-GOSISDBHSA-N 1 1 367.453 2.575 10 0 FFAEMO Cc1cnn(C[C@H]2C[N@@H+](CCCc3nc(-c4ccccc4)no3)CCO2)c1 ZINC000106197269 250252890 /nfs/dbraw/zinc/25/28/90/250252890.db2.gz WZEDPLMQMRVHCG-GOSISDBHSA-N 1 1 367.453 2.575 10 0 FFAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000106209701 250255233 /nfs/dbraw/zinc/25/52/33/250255233.db2.gz ROEPEUBEITVECT-SFHVURJKSA-N 1 1 358.461 2.972 10 0 FFAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1F ZINC000106209701 250255237 /nfs/dbraw/zinc/25/52/37/250255237.db2.gz ROEPEUBEITVECT-SFHVURJKSA-N 1 1 358.461 2.972 10 0 FFAEMO O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106217907 250258772 /nfs/dbraw/zinc/25/87/72/250258772.db2.gz DQONZAUXJZUXOS-KBPBESRZSA-N 1 1 371.268 2.662 10 0 FFAEMO CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106220343 250259580 /nfs/dbraw/zinc/25/95/80/250259580.db2.gz DASWQJUUKMTNSM-HXUWFJFHSA-N 1 1 370.497 2.681 10 0 FFAEMO CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106220343 250259583 /nfs/dbraw/zinc/25/95/83/250259583.db2.gz DASWQJUUKMTNSM-HXUWFJFHSA-N 1 1 370.497 2.681 10 0 FFAEMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4ncon4)cc3)sc2C1 ZINC000107087185 250304973 /nfs/dbraw/zinc/30/49/73/250304973.db2.gz QKICQCITENNPCD-UHFFFAOYSA-N 1 1 355.423 2.823 10 0 FFAEMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-c4ncon4)cc3)sc2C1 ZINC000107087185 250304978 /nfs/dbraw/zinc/30/49/78/250304978.db2.gz QKICQCITENNPCD-UHFFFAOYSA-N 1 1 355.423 2.823 10 0 FFAEMO Cc1noc(C)c1CCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116957336 250326376 /nfs/dbraw/zinc/32/63/76/250326376.db2.gz KKBNMHFFMBVVLI-UHFFFAOYSA-N 1 1 357.458 2.506 10 0 FFAEMO CC(C)c1nc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)nn1-c1cccc(F)c1 ZINC000117632661 250354586 /nfs/dbraw/zinc/35/45/86/250354586.db2.gz XMZWUZVHIUTHGE-KRWDZBQOSA-N 1 1 371.460 2.840 10 0 FFAEMO CC(C)c1nc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)nn1-c1cccc(F)c1 ZINC000117632661 250354588 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CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000167754289 509641066 /nfs/dbraw/zinc/64/10/66/509641066.db2.gz SEMOXDSQCLMWHM-BBRMVZONSA-N 1 1 355.442 2.983 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)c2cn(C)c3ccccc23)C[C@@H]1C ZINC000249272689 509643413 /nfs/dbraw/zinc/64/34/13/509643413.db2.gz BRNVQTQGZOEQFM-DLBZAZTESA-N 1 1 357.498 2.851 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)c2cn(C)c3ccccc23)C[C@@H]1C ZINC000249272689 509643418 /nfs/dbraw/zinc/64/34/18/509643418.db2.gz BRNVQTQGZOEQFM-DLBZAZTESA-N 1 1 357.498 2.851 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)c2cc(Br)cn2C(C)C)C[C@H]1C ZINC000173547664 509649434 /nfs/dbraw/zinc/64/94/34/509649434.db2.gz GEWHZMZIMWOMET-CYBMUJFWSA-N 1 1 372.307 2.624 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)c2cc(Br)cn2C(C)C)C[C@H]1C ZINC000173547664 509649442 /nfs/dbraw/zinc/64/94/42/509649442.db2.gz GEWHZMZIMWOMET-CYBMUJFWSA-N 1 1 372.307 2.624 10 0 FFAEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000192816120 509657219 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/nfs/dbraw/zinc/59/03/38/508590338.db2.gz HYNNPWIJSXAPLZ-MRXNPFEDSA-N 1 1 362.518 2.698 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@H+]1CCOC ZINC000117303514 508590340 /nfs/dbraw/zinc/59/03/40/508590340.db2.gz HYNNPWIJSXAPLZ-MRXNPFEDSA-N 1 1 362.518 2.698 10 0 FFAEMO CC[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2)CC[N@H+]1CCOC ZINC000117309068 508591790 /nfs/dbraw/zinc/59/17/90/508591790.db2.gz WMCSXXQVJYMUDZ-QGZVFWFLSA-N 1 1 352.450 2.554 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2c(C)onc2-c2ccccc2)CC[N@@H+]1CCOC ZINC000117308770 508592059 /nfs/dbraw/zinc/59/20/59/508592059.db2.gz MQSVGENOXOXNQI-QGZVFWFLSA-N 1 1 357.454 2.833 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2c(C)onc2-c2ccccc2)CC[N@H+]1CCOC ZINC000117308770 508592062 /nfs/dbraw/zinc/59/20/62/508592062.db2.gz MQSVGENOXOXNQI-QGZVFWFLSA-N 1 1 357.454 2.833 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2nc(-c3ccco3)sc2C)CC[N@@H+]1CCOC ZINC000117306255 508592168 /nfs/dbraw/zinc/59/21/68/508592168.db2.gz WSMRCIFTECPIME-CQSZACIVSA-N 1 1 363.483 2.894 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2nc(-c3ccco3)sc2C)CC[N@H+]1CCOC ZINC000117306255 508592172 /nfs/dbraw/zinc/59/21/72/508592172.db2.gz WSMRCIFTECPIME-CQSZACIVSA-N 1 1 363.483 2.894 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)C[C@H]1C ZINC000117469623 508600323 /nfs/dbraw/zinc/60/03/23/508600323.db2.gz PMFZWOFBUKWKIB-CRAIPNDOSA-N 1 1 373.501 2.622 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)C[C@H]1C ZINC000117469623 508600328 /nfs/dbraw/zinc/60/03/28/508600328.db2.gz PMFZWOFBUKWKIB-CRAIPNDOSA-N 1 1 373.501 2.622 10 0 FFAEMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000135473380 508610186 /nfs/dbraw/zinc/61/01/86/508610186.db2.gz OHYARQGUIIOOKT-OALUTQOASA-N 1 1 352.434 2.564 10 0 FFAEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000135473401 508610273 /nfs/dbraw/zinc/61/02/73/508610273.db2.gz OHYARQGUIIOOKT-RTBURBONSA-N 1 1 352.434 2.564 10 0 FFAEMO CSc1ccccc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000136716369 508711405 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Cc1cccc(N2CCC(NC(=O)NC[C@@](C)(O)c3cccs3)CC2)[nH+]1 ZINC000154350241 508765934 /nfs/dbraw/zinc/76/59/34/508765934.db2.gz QOIIHNBDGGIPSY-LJQANCHMSA-N 1 1 374.510 2.627 10 0 FFAEMO CCn1cnnc1C1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000119310835 508770642 /nfs/dbraw/zinc/77/06/42/508770642.db2.gz IEXWCOWKZLGICD-SFHVURJKSA-N 1 1 353.470 2.591 10 0 FFAEMO CCOCc1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000159012153 508781008 /nfs/dbraw/zinc/78/10/08/508781008.db2.gz LNIBAIBMUSLMIL-UHFFFAOYSA-N 1 1 371.485 2.696 10 0 FFAEMO CCOCc1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000159012153 508781011 /nfs/dbraw/zinc/78/10/11/508781011.db2.gz LNIBAIBMUSLMIL-UHFFFAOYSA-N 1 1 371.485 2.696 10 0 FFAEMO CC(C)CSCCCNC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000129970427 508784929 /nfs/dbraw/zinc/78/49/29/508784929.db2.gz JKUNAUYMWCRSEK-MRXNPFEDSA-N 1 1 357.564 2.660 10 0 FFAEMO CC(C)Oc1ccc(CNC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000124265548 508806389 /nfs/dbraw/zinc/80/63/89/508806389.db2.gz DLHZCRRUSDWIBJ-UHFFFAOYSA-N 1 1 371.485 2.767 10 0 FFAEMO COc1ccc(Cn2cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)cn2)cc1 ZINC000119505971 508809333 /nfs/dbraw/zinc/80/93/33/508809333.db2.gz LPAWXHIHMLQMCO-LJQANCHMSA-N 1 1 370.497 2.790 10 0 FFAEMO C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000141332328 508814848 /nfs/dbraw/zinc/81/48/48/508814848.db2.gz YBMKJCBLBPWDEB-MRXNPFEDSA-N 1 1 370.497 2.754 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000119545926 508816415 /nfs/dbraw/zinc/81/64/15/508816415.db2.gz NNVALNBSXYXQEW-ZDUSSCGKSA-N 1 1 371.403 2.895 10 0 FFAEMO Cc1ccc(CCC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000159331420 508825609 /nfs/dbraw/zinc/82/56/09/508825609.db2.gz APARCNGDTWAMGD-QFIPXVFZSA-N 1 1 366.505 2.771 10 0 FFAEMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2CCC3(CC2)OCCO3)o1 ZINC000124664307 508865445 /nfs/dbraw/zinc/86/54/45/508865445.db2.gz ZUAACSZTTASNNR-KRWDZBQOSA-N 1 1 362.470 2.917 10 0 FFAEMO Cc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2CCC3(CC2)OCCO3)o1 ZINC000124664307 508865449 /nfs/dbraw/zinc/86/54/49/508865449.db2.gz ZUAACSZTTASNNR-KRWDZBQOSA-N 1 1 362.470 2.917 10 0 FFAEMO CCNC(=O)N1CCc2ccc(NC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cc21 ZINC000124746592 508879407 /nfs/dbraw/zinc/87/94/07/508879407.db2.gz BIZYMLBHTKEXOP-WMLDXEAASA-N 1 1 373.501 2.629 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(SC(F)F)c2)[C@@H](C)C1 ZINC000150776880 508891257 /nfs/dbraw/zinc/89/12/57/508891257.db2.gz NZWCZHXZUPHTES-FZMZJTMJSA-N 1 1 371.453 2.785 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000150784856 508892763 /nfs/dbraw/zinc/89/27/63/508892763.db2.gz FAYQOALKQOGWHR-HZMBPMFUSA-N 1 1 358.269 2.777 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000120036830 508914604 /nfs/dbraw/zinc/91/46/04/508914604.db2.gz ONQWXLFOLYYHRV-WFASDCNBSA-N 1 1 354.292 2.977 10 0 FFAEMO CCN(CC)c1ncc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)s1 ZINC000120165725 508941644 /nfs/dbraw/zinc/94/16/44/508941644.db2.gz OJMANWUUPXQJDV-OAHLLOKOSA-N 1 1 360.531 2.880 10 0 FFAEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1ccc2c(c1)OCCO2 ZINC000125212034 508948772 /nfs/dbraw/zinc/94/87/72/508948772.db2.gz FAGXIDDLFTXWBK-LSDHHAIUSA-N 1 1 358.442 2.772 10 0 FFAEMO O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151104218 508957398 /nfs/dbraw/zinc/95/73/98/508957398.db2.gz QEYDDEISFRATJJ-HZPDHXFCSA-N 1 1 361.873 2.909 10 0 FFAEMO C[C@@H](C(=O)N1CCN(c2nc3ccccc3o2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000131950075 508984139 /nfs/dbraw/zinc/98/41/39/508984139.db2.gz GSUITSDZBRMXBI-XHSDSOJGSA-N 1 1 356.470 2.738 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000151368482 509005952 /nfs/dbraw/zinc/00/59/52/509005952.db2.gz CHADWMAUMZRVJB-HUUCEWRRSA-N 1 1 366.456 2.669 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCC(=O)CCC(=O)c2cccs2)[C@@H](C)C1 ZINC000155526392 509020065 /nfs/dbraw/zinc/02/00/65/509020065.db2.gz GLPHROTXCXZPMX-HOCLYGCPSA-N 1 1 364.511 2.905 10 0 FFAEMO COc1ccc(Br)cc1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000155559900 509026983 /nfs/dbraw/zinc/02/69/83/509026983.db2.gz YUGLFJUYTUEFCC-DOMZBBRYSA-N 1 1 369.303 2.845 10 0 FFAEMO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(n2cncn2)CC1 ZINC000120616764 509032337 /nfs/dbraw/zinc/03/23/37/509032337.db2.gz IENXBQIDAUARCV-UHFFFAOYSA-N 1 1 363.849 2.524 10 0 FFAEMO CCCOc1c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cccc1OCC ZINC000120624188 509034017 /nfs/dbraw/zinc/03/40/17/509034017.db2.gz ILULJDWIAYTWSG-IAGOWNOFSA-N 1 1 350.503 2.761 10 0 FFAEMO CCc1noc(C)c1NC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000155601751 509034987 /nfs/dbraw/zinc/03/49/87/509034987.db2.gz VYLFUBNJKMZBBK-UHFFFAOYSA-N 1 1 360.462 2.502 10 0 FFAEMO CCc1noc(C)c1NC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000155601751 509034990 /nfs/dbraw/zinc/03/49/90/509034990.db2.gz VYLFUBNJKMZBBK-UHFFFAOYSA-N 1 1 360.462 2.502 10 0 FFAEMO CC(=O)N(Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1)C1CC1 ZINC000151530767 509037923 /nfs/dbraw/zinc/03/79/23/509037923.db2.gz RWVUVEDWQAPHQC-FQEVSTJZSA-N 1 1 370.497 2.900 10 0 FFAEMO Cc1c(Br)cccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000132507109 509039291 /nfs/dbraw/zinc/03/92/91/509039291.db2.gz RURZVMVIBLPSOV-SUMWQHHRSA-N 1 1 353.304 2.910 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2nc(-c3cccs3)no2)C1 ZINC000155785803 509071777 /nfs/dbraw/zinc/07/17/77/509071777.db2.gz RCXZKYZTQCQZJA-KGLIPLIRSA-N 1 1 362.499 2.966 10 0 FFAEMO CCn1cnnc1C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000132988940 509100636 /nfs/dbraw/zinc/10/06/36/509100636.db2.gz LGAGINVFINFPNR-KRWDZBQOSA-N 1 1 373.888 2.936 10 0 FFAEMO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000161564556 509129538 /nfs/dbraw/zinc/12/95/38/509129538.db2.gz MSWVUCOEGRPOGW-NEPJUHHUSA-N 1 1 358.408 2.524 10 0 FFAEMO CN(C)[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC000126837032 509135918 /nfs/dbraw/zinc/13/59/18/509135918.db2.gz PNPSVQUWIJDXDO-IBGZPJMESA-N 1 1 362.493 2.698 10 0 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369.465 2.989 10 0 FFAEMO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652748 510282726 /nfs/dbraw/zinc/28/27/26/510282726.db2.gz OJNJMGLUKBNMIP-LJQANCHMSA-N 1 1 352.482 2.749 10 0 FFAEMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652748 510282731 /nfs/dbraw/zinc/28/27/31/510282731.db2.gz OJNJMGLUKBNMIP-LJQANCHMSA-N 1 1 352.482 2.749 10 0 FFAEMO CC(C)[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000246087748 510284341 /nfs/dbraw/zinc/28/43/41/510284341.db2.gz GNJBDPPORYUWPV-IHPCNDPISA-N 1 1 359.514 2.788 10 0 FFAEMO C[C@H]1CN(C(=O)Nc2ccc(N(C)C)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177845205 510286023 /nfs/dbraw/zinc/28/60/23/510286023.db2.gz DGSVDNBIGQZRST-GUYCJALGSA-N 1 1 366.893 2.590 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cccc(F)c2)C1 ZINC000190690024 510287520 /nfs/dbraw/zinc/28/75/20/510287520.db2.gz QPMXPUGMEXZBAP-SFHVURJKSA-N 1 1 356.445 2.884 10 0 FFAEMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nncn2CC)C1 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ZINC000109255503 507950507 /nfs/dbraw/zinc/95/05/07/507950507.db2.gz UOPCLMQUQDILOT-INIZCTEOSA-N 1 1 356.470 2.544 10 0 FFAEMO O=C(CN1CCCCCCC1=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000109303125 507954022 /nfs/dbraw/zinc/95/40/22/507954022.db2.gz MLWKRJMGVWGPHJ-FQEVSTJZSA-N 1 1 371.525 2.950 10 0 FFAEMO Cc1cccc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1C ZINC000079489571 507966938 /nfs/dbraw/zinc/96/69/38/507966938.db2.gz WTNQULCPDYXOLX-SJLPKXTDSA-N 1 1 359.514 2.816 10 0 FFAEMO CCCCOc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109658212 507976459 /nfs/dbraw/zinc/97/64/59/507976459.db2.gz LROXHNLONBIRMD-UHFFFAOYSA-N 1 1 370.497 2.947 10 0 FFAEMO CCCCOc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109658212 507976462 /nfs/dbraw/zinc/97/64/62/507976462.db2.gz LROXHNLONBIRMD-UHFFFAOYSA-N 1 1 370.497 2.947 10 0 FFAEMO CCCN(C)c1ccc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109659716 507977512 /nfs/dbraw/zinc/97/75/12/507977512.db2.gz BYLPZMSJIRXCKF-UHFFFAOYSA-N 1 1 369.513 2.614 10 0 FFAEMO CCCN(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000109659716 507977514 /nfs/dbraw/zinc/97/75/14/507977514.db2.gz BYLPZMSJIRXCKF-UHFFFAOYSA-N 1 1 369.513 2.614 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc(C[S@@](C)=O)c2)C1 ZINC000109677784 507979974 /nfs/dbraw/zinc/97/99/74/507979974.db2.gz JKCCTRJFKRYHOG-NSYGIPOTSA-N 1 1 359.495 2.801 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)NCCc3cccc(O)c3)CC2)[nH+]c1 ZINC000074062211 507982707 /nfs/dbraw/zinc/98/27/07/507982707.db2.gz HVPULOLLDXLOHV-UHFFFAOYSA-N 1 1 354.454 2.606 10 0 FFAEMO CC(C)N(C(=O)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000109753507 507985158 /nfs/dbraw/zinc/98/51/58/507985158.db2.gz PELDKUDOSOPDKG-OAQYLSRUSA-N 1 1 372.557 2.530 10 0 FFAEMO CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1 ZINC000109820248 507989751 /nfs/dbraw/zinc/98/97/51/507989751.db2.gz WPLSZPMHBBUJCJ-HXUWFJFHSA-N 1 1 359.514 2.615 10 0 FFAEMO C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000091620778 507996921 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FFAEMO CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@@H]2CCCn3ccnc32)n1 ZINC000333243917 1007422787 /nfs/dbraw/zinc/42/27/87/1007422787.db2.gz IYFPWPAYUXLLSI-JZXOWHBKSA-N 1 1 370.501 3.278 10 0 FFAEMO CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(OCC)c1-n1cccc1 ZINC000000598590 219305196 /nfs/dbraw/zinc/30/51/96/219305196.db2.gz NMARPFMJVCXSAV-UHFFFAOYSA-N 1 1 353.426 2.820 10 0 in-man FFAEMO C[NH+](C)C[C@@H]1CCCc2sc(NS(=O)(=O)c3ccc(N)cc3)nc21 ZINC000001644094 204014603 /nfs/dbraw/zinc/01/46/03/204014603.db2.gz VMHCJXRDGVNRCV-NSHDSACASA-N 1 1 366.512 2.508 10 0 FFAEMO CCn1c(=O)cc(SCC(=O)NC[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000003958798 204116912 /nfs/dbraw/zinc/11/69/12/204116912.db2.gz IVCJAOMAFJTWNF-OAHLLOKOSA-N 1 1 373.522 2.714 10 0 FFAEMO COc1cc2c(cc1CC[NH+](C)C)[C@@H](c1cnc3ccccc3n1)NCC2 ZINC000038805258 205043243 /nfs/dbraw/zinc/04/32/43/205043243.db2.gz FRNGHFYOEYUMRQ-QFIPXVFZSA-N 1 1 362.477 2.978 10 0 FFAEMO Cc1nc(C[NH+]2CCC(C(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)cs1 ZINC000068417554 249714282 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250244613 /nfs/dbraw/zinc/24/46/13/250244613.db2.gz JVKYJXFSRIETCK-SFHVURJKSA-N 1 1 369.513 2.572 10 0 FFAEMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000106155402 250244617 /nfs/dbraw/zinc/24/46/17/250244617.db2.gz JVKYJXFSRIETCK-SFHVURJKSA-N 1 1 369.513 2.572 10 0 FFAEMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1C ZINC000106155402 250244622 /nfs/dbraw/zinc/24/46/22/250244622.db2.gz JVKYJXFSRIETCK-SFHVURJKSA-N 1 1 369.513 2.572 10 0 FFAEMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1Cl ZINC000106175700 250248039 /nfs/dbraw/zinc/24/80/39/250248039.db2.gz KZFFUBGLULQUGX-CABCVRRESA-N 1 1 361.877 2.521 10 0 FFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000106177981 250248293 /nfs/dbraw/zinc/24/82/93/250248293.db2.gz WGEKITKPROXZSH-MRXNPFEDSA-N 1 1 359.449 2.775 10 0 FFAEMO Cc1cc2oc(=O)cc(C[N@H+]3CCCN(c4cccnn4)CC3)c2cc1C ZINC000106071049 250230017 /nfs/dbraw/zinc/23/00/17/250230017.db2.gz KWEBEOLFAJQKSH-UHFFFAOYSA-N 1 1 364.449 2.912 10 0 FFAEMO CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000106424961 250269738 /nfs/dbraw/zinc/26/97/38/250269738.db2.gz TVCADCGZDIYNQG-QFIPXVFZSA-N 1 1 365.521 2.940 10 0 FFAEMO O[C@@H](COc1ccccc1)C[NH+]1CCN(CCCOc2ccccc2)CC1 ZINC000106205340 250255555 /nfs/dbraw/zinc/25/55/55/250255555.db2.gz GYUWEBLYYLOPOL-HXUWFJFHSA-N 1 1 370.493 2.513 10 0 FFAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000106213821 250255780 /nfs/dbraw/zinc/25/57/80/250255780.db2.gz ICTGVEHHWIKQIM-DOTOQJQBSA-N 1 1 358.461 2.926 10 0 FFAEMO COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106209448 250256083 /nfs/dbraw/zinc/25/60/83/250256083.db2.gz VLYVSKWPSFFENM-GOSISDBHSA-N 1 1 370.497 2.541 10 0 FFAEMO COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106209448 250256087 /nfs/dbraw/zinc/25/60/87/250256087.db2.gz VLYVSKWPSFFENM-GOSISDBHSA-N 1 1 370.497 2.541 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)c3cccc(C[S@@](C)=O)c3)CC2)[nH+]1 ZINC000116836984 250318234 /nfs/dbraw/zinc/31/82/34/250318234.db2.gz IVCUYHMNMIWMSN-SANMLTNESA-N 1 1 371.506 2.667 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NC[C@H](O)c3ccccc3F)CC2)[nH+]1 ZINC000116970416 250328674 /nfs/dbraw/zinc/32/86/74/250328674.db2.gz QWWFTZILCCUJFF-SFHVURJKSA-N 1 1 372.444 2.531 10 0 FFAEMO CC[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)CC[N@H+]1CCOC ZINC000117309887 250339989 /nfs/dbraw/zinc/33/99/89/250339989.db2.gz UYGZNZQCCFSPHO-HNNXBMFYSA-N 1 1 363.483 2.515 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)C[C@H]1C ZINC000117290659 250340164 /nfs/dbraw/zinc/34/01/64/250340164.db2.gz AHTUALKOWGCGBZ-ZBFHGGJFSA-N 1 1 358.404 2.902 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)C[C@H]1C ZINC000117290659 250340169 /nfs/dbraw/zinc/34/01/69/250340169.db2.gz AHTUALKOWGCGBZ-ZBFHGGJFSA-N 1 1 358.404 2.902 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000117289726 250340813 /nfs/dbraw/zinc/34/08/13/250340813.db2.gz RBUMRSBQHJLEDI-ZDUSSCGKSA-N 1 1 365.524 2.593 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000117289726 250340815 /nfs/dbraw/zinc/34/08/15/250340815.db2.gz RBUMRSBQHJLEDI-ZDUSSCGKSA-N 1 1 365.524 2.593 10 0 FFAEMO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000119041189 250425629 /nfs/dbraw/zinc/42/56/29/250425629.db2.gz GPHGLMMJSIRNDM-KSZLIROESA-N 1 1 361.555 2.789 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2CSCCS2)C1 ZINC000132253877 251058613 /nfs/dbraw/zinc/05/86/13/251058613.db2.gz SGBGCSSUUZXAQS-UONOGXRCSA-N 1 1 354.545 2.641 10 0 FFAEMO CCOc1cc2[nH+]ccc(N3C[C@H]4OCCN(C)[C@H]4C3)c2cc1OCC ZINC000153170546 251110889 /nfs/dbraw/zinc/11/08/89/251110889.db2.gz NBEDTLZRUKXEDU-FXAWDEMLSA-N 1 1 357.454 2.551 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000251998750 251307231 /nfs/dbraw/zinc/30/72/31/251307231.db2.gz WDQWXBKYQFAIEX-KBPBESRZSA-N 1 1 360.433 2.801 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCc3n[nH]cc32)C1 ZINC000251842204 251303928 /nfs/dbraw/zinc/30/39/28/251303928.db2.gz OAJRDLBAVOHYCT-GJZGRUSLSA-N 1 1 373.526 2.575 10 0 FFAEMO COc1ccc([C@H]2[C@@H](CNc3ncnc4nc[nH]c43)CCC[N@H+]2C)cc1 ZINC000301262648 258038625 /nfs/dbraw/zinc/03/86/25/258038625.db2.gz FSOHBKHKVYKWAX-PBHICJAKSA-N 1 1 352.442 2.857 10 0 FFAEMO COc1ccc([C@H]2[C@@H](CNc3ncnc4[nH]cnc43)CCC[N@@H+]2C)cc1 ZINC000301262648 258038626 /nfs/dbraw/zinc/03/86/26/258038626.db2.gz FSOHBKHKVYKWAX-PBHICJAKSA-N 1 1 352.442 2.857 10 0 FFAEMO COc1ccc([C@H]2[C@@H](CNc3ncnc4[nH]cnc43)CCC[N@H+]2C)cc1 ZINC000301262648 258038627 /nfs/dbraw/zinc/03/86/27/258038627.db2.gz FSOHBKHKVYKWAX-PBHICJAKSA-N 1 1 352.442 2.857 10 0 FFAEMO COCC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1C ZINC000302383981 258100737 /nfs/dbraw/zinc/10/07/37/258100737.db2.gz CFLVZHVCIHELNB-ZDUSSCGKSA-N 1 1 366.918 2.939 10 0 FFAEMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)s2)C[C@@H]1C ZINC000302383981 258100738 /nfs/dbraw/zinc/10/07/38/258100738.db2.gz CFLVZHVCIHELNB-ZDUSSCGKSA-N 1 1 366.918 2.939 10 0 FFAEMO O=C(Cc1cccc(O)c1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000311921317 258115453 /nfs/dbraw/zinc/11/54/53/258115453.db2.gz GSTWKEYJVNHDSX-CEWLAPEOSA-N 1 1 350.462 2.962 10 0 FFAEMO C[C@@H]1C[N@H+](CC2CCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)C[C@H](C)O1 ZINC000328678478 258117659 /nfs/dbraw/zinc/11/76/59/258117659.db2.gz STRCKCKQLBHMEC-SOLBZPMBSA-N 1 1 365.518 2.623 10 0 FFAEMO COc1cc(OC)cc(N2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2=O)c1 ZINC000301851127 258070558 /nfs/dbraw/zinc/07/05/58/258070558.db2.gz BGDNEGBZGAGZKP-QGZVFWFLSA-N 1 1 352.394 2.798 10 0 FFAEMO CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000329891279 258149882 /nfs/dbraw/zinc/14/98/82/258149882.db2.gz HPYVLHLWLRTFQO-RTBURBONSA-N 1 1 367.497 2.840 10 0 FFAEMO CC(C)n1cnnc1[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000329891279 258149883 /nfs/dbraw/zinc/14/98/83/258149883.db2.gz HPYVLHLWLRTFQO-RTBURBONSA-N 1 1 367.497 2.840 10 0 FFAEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000330001728 258152484 /nfs/dbraw/zinc/15/24/84/258152484.db2.gz YGEALSYOSBMIRT-CQSZACIVSA-N 1 1 370.482 2.699 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328777973 258120312 /nfs/dbraw/zinc/12/03/12/258120312.db2.gz IOOBKGCTHXNUEV-ROUUACIJSA-N 1 1 358.486 2.651 10 0 FFAEMO CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000329042626 258127629 /nfs/dbraw/zinc/12/76/29/258127629.db2.gz TXGAGVMATUWWJV-WMZOPIPTSA-N 1 1 360.502 2.628 10 0 FFAEMO NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329091173 258128901 /nfs/dbraw/zinc/12/89/01/258128901.db2.gz WTYPPKSHIUENMX-FMKPAKJESA-N 1 1 362.449 2.967 10 0 FFAEMO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000329103740 258129427 /nfs/dbraw/zinc/12/94/27/258129427.db2.gz DIFCGSUIPRXFII-HLNWXESRSA-N 1 1 374.529 2.874 10 0 FFAEMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000329121217 258129899 /nfs/dbraw/zinc/12/98/99/258129899.db2.gz KKKLJANXJRSNFK-IYWGDAJJSA-N 1 1 364.530 2.562 10 0 FFAEMO COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1-c1ccn(C)n1 ZINC000329125376 258130216 /nfs/dbraw/zinc/13/02/16/258130216.db2.gz YBLNVGRSTVOGLW-QFBILLFUSA-N 1 1 368.481 2.652 10 0 FFAEMO CO[C@H](C)c1nc(C)c(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)s1 ZINC000329701809 258145370 /nfs/dbraw/zinc/14/53/70/258145370.db2.gz HOBYNQHBGIRORU-UTUOFQBUSA-N 1 1 350.444 2.745 10 0 FFAEMO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333062504 258247737 /nfs/dbraw/zinc/24/77/37/258247737.db2.gz NJBANTAGXTUEDL-ZIAGYGMSSA-N 1 1 357.483 2.512 10 0 FFAEMO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333062504 258247738 /nfs/dbraw/zinc/24/77/38/258247738.db2.gz NJBANTAGXTUEDL-ZIAGYGMSSA-N 1 1 357.483 2.512 10 0 FFAEMO C[NH+]1CCN(c2ncnc(Nc3ccc(C(F)(F)F)cc3)c2N)CC1 ZINC000040726431 136120237 /nfs/dbraw/zinc/12/02/37/136120237.db2.gz UKZINDSFTHZRLA-UHFFFAOYSA-N 1 1 352.364 2.573 10 0 FFAEMO CC[C@H](SC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192160940 509381276 /nfs/dbraw/zinc/38/12/76/509381276.db2.gz MJILSWOIZIDOFB-CABCVRRESA-N 1 1 358.548 2.783 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C ZINC000176419071 509498682 /nfs/dbraw/zinc/49/86/82/509498682.db2.gz QRLUWZQPPMLLGG-AWEZNQCLSA-N 1 1 369.303 2.561 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)CCc2ccc(Br)cc2)C[C@@H]1C ZINC000176419071 509498691 /nfs/dbraw/zinc/49/86/91/509498691.db2.gz QRLUWZQPPMLLGG-AWEZNQCLSA-N 1 1 369.303 2.561 10 0 FFAEMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2)cn1 ZINC000065659244 506341448 /nfs/dbraw/zinc/34/14/48/506341448.db2.gz DKVDUWHLICSHOR-UHFFFAOYSA-N 1 1 366.396 2.994 10 0 FFAEMO CNC(=O)c1ccc(C[N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000007880595 506598193 /nfs/dbraw/zinc/59/81/93/506598193.db2.gz UXKFTLOFIIZNPE-UHFFFAOYSA-N 1 1 369.509 2.563 10 0 FFAEMO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000007880595 506598196 /nfs/dbraw/zinc/59/81/96/506598196.db2.gz UXKFTLOFIIZNPE-UHFFFAOYSA-N 1 1 369.509 2.563 10 0 FFAEMO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000066834776 506656497 /nfs/dbraw/zinc/65/64/97/506656497.db2.gz OLEANSQLJDHSOQ-CYBMUJFWSA-N 1 1 373.280 2.837 10 0 FFAEMO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000066834776 506656505 /nfs/dbraw/zinc/65/65/05/506656505.db2.gz OLEANSQLJDHSOQ-CYBMUJFWSA-N 1 1 373.280 2.837 10 0 FFAEMO COC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000066835923 506659280 /nfs/dbraw/zinc/65/92/80/506659280.db2.gz LKXYRTIXDZMFIH-OAHLLOKOSA-N 1 1 373.478 2.942 10 0 FFAEMO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C1 ZINC000066835923 506659287 /nfs/dbraw/zinc/65/92/87/506659287.db2.gz LKXYRTIXDZMFIH-OAHLLOKOSA-N 1 1 373.478 2.942 10 0 FFAEMO Cc1ccc(C[N@H+]2CCC[C@H](Cn3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000012028473 506809614 /nfs/dbraw/zinc/80/96/14/506809614.db2.gz JROHLRBYEITVSH-IBGZPJMESA-N 1 1 367.497 2.735 10 0 FFAEMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)nn1 ZINC000012512793 506870280 /nfs/dbraw/zinc/87/02/80/506870280.db2.gz GRESQWXTEJPXPV-YXMGTMDOSA-N 1 1 357.458 2.703 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3cn[nH]c3)nc3cc(F)ccc32)C1 ZINC000020820389 507235078 /nfs/dbraw/zinc/23/50/78/507235078.db2.gz HZNQLTQHUZMDGG-OAHLLOKOSA-N 1 1 367.428 2.978 10 0 FFAEMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025227638 507477335 /nfs/dbraw/zinc/47/73/35/507477335.db2.gz ZBWLGTNXMDWHOB-GXTWGEPZSA-N 1 1 374.387 2.615 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2I)C1 ZINC000048769293 507562408 /nfs/dbraw/zinc/56/24/08/507562408.db2.gz SWHCYCBTAYJYIK-LLVKDONJSA-N 1 1 373.238 2.897 10 0 FFAEMO CC[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000064225872 507786093 /nfs/dbraw/zinc/78/60/93/507786093.db2.gz MHHHHRBUYGVBCH-QGZVFWFLSA-N 1 1 359.470 2.789 10 0 FFAEMO CCC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@@H]1CCCCO1 ZINC000106867089 507824785 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YJYIZUPVRICLLL-WMZOPIPTSA-N 1 1 368.481 2.868 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194344992 510322910 /nfs/dbraw/zinc/32/29/10/510322910.db2.gz YLFJBAALKKDMLO-SCTDSRPQSA-N 1 1 374.529 2.902 10 0 FFAEMO CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000171716446 510327301 /nfs/dbraw/zinc/32/73/01/510327301.db2.gz MUHZWRXEDIUKPA-AWEZNQCLSA-N 1 1 354.454 2.954 10 0 FFAEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cncn2)c(C)c1 ZINC000246161606 510330930 /nfs/dbraw/zinc/33/09/30/510330930.db2.gz GLHJACSNNYLSQE-WDSOQIARSA-N 1 1 354.454 2.882 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000246168668 510335001 /nfs/dbraw/zinc/33/50/01/510335001.db2.gz CDUOOWODOOUGNL-CRAIPNDOSA-N 1 1 371.460 2.636 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000246168668 510335009 /nfs/dbraw/zinc/33/50/09/510335009.db2.gz CDUOOWODOOUGNL-CRAIPNDOSA-N 1 1 371.460 2.636 10 0 FFAEMO Cc1noc([C@H]2CCCN(C(=O)N[C@@H](C)C[N@@H+](C)Cc3ccccc3)C2)n1 ZINC000181293333 510341350 /nfs/dbraw/zinc/34/13/50/510341350.db2.gz CMDBCDMZWJADEY-YJBOKZPZSA-N 1 1 371.485 2.788 10 0 FFAEMO CC[C@@H]1CN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC[N@H+]1CCOC ZINC000246191323 510350037 /nfs/dbraw/zinc/35/00/37/510350037.db2.gz MLGZEJMQGHVOIA-CVEARBPZSA-N 1 1 366.531 2.655 10 0 FFAEMO Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181321670 510354273 /nfs/dbraw/zinc/35/42/73/510354273.db2.gz BCXUIGUWQIIRBO-YLJYHZDGSA-N 1 1 369.513 2.886 10 0 FFAEMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000246198530 510356224 /nfs/dbraw/zinc/35/62/24/510356224.db2.gz LRWNNSKOGIBICC-GOEBONIOSA-N 1 1 363.531 2.668 10 0 FFAEMO CSc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177981484 510357755 /nfs/dbraw/zinc/35/77/55/510357755.db2.gz HIIUOQMUPPBOGG-CQSZACIVSA-N 1 1 358.467 2.543 10 0 FFAEMO Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246203633 510359544 /nfs/dbraw/zinc/35/95/44/510359544.db2.gz XZRHWJUPEMDGTD-OALUTQOASA-N 1 1 366.509 2.871 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCSc2ccccc2Cl)cn1 ZINC000181332005 510360724 /nfs/dbraw/zinc/36/07/24/510360724.db2.gz YOEVDDAAWKZAOY-HNNXBMFYSA-N 1 1 364.902 2.729 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cn1 ZINC000181348823 510367561 /nfs/dbraw/zinc/36/75/61/510367561.db2.gz JUOOKVGDTMSSIU-HKBOAZHASA-N 1 1 360.461 2.850 10 0 FFAEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000184529891 510372314 /nfs/dbraw/zinc/37/23/14/510372314.db2.gz QKWRLKCYRHZWCB-HNNXBMFYSA-N 1 1 354.458 2.980 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C3SCCS3)cc2)cn1 ZINC000181365163 510375826 /nfs/dbraw/zinc/37/58/26/510375826.db2.gz QPCBFJMQMXRVGO-INIZCTEOSA-N 1 1 374.535 2.685 10 0 FFAEMO CCO[C@H](C)c1noc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](c3ccccc3)C2)n1 ZINC000246230717 510378522 /nfs/dbraw/zinc/37/85/22/510378522.db2.gz GAYYTTJKDOUULA-HYVNUMGLSA-N 1 1 373.453 2.946 10 0 FFAEMO CCO[C@H](C)c1noc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](c3ccccc3)C2)n1 ZINC000246230717 510378524 /nfs/dbraw/zinc/37/85/24/510378524.db2.gz GAYYTTJKDOUULA-HYVNUMGLSA-N 1 1 373.453 2.946 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(-c3ccccc3F)o2)cn1 ZINC000181378562 510382020 /nfs/dbraw/zinc/38/20/20/510382020.db2.gz SQSDRWBVMUJQRF-INIZCTEOSA-N 1 1 354.385 2.606 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC000181380950 510383549 /nfs/dbraw/zinc/38/35/49/510383549.db2.gz FJSONYNXXDTDJM-HXUWFJFHSA-N 1 1 362.433 2.999 10 0 FFAEMO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000194473761 510383945 /nfs/dbraw/zinc/38/39/45/510383945.db2.gz AOBQXBQJXLQQHK-PKOBYXMFSA-N 1 1 358.482 2.672 10 0 FFAEMO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000194473761 510383951 /nfs/dbraw/zinc/38/39/51/510383951.db2.gz AOBQXBQJXLQQHK-PKOBYXMFSA-N 1 1 358.482 2.672 10 0 FFAEMO C[C@H](CNC(=O)N1CCC(Cc2nccn2C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000246248406 510388783 /nfs/dbraw/zinc/38/87/83/510388783.db2.gz FDEZSIYXWMNXPP-DLBZAZTESA-N 1 1 361.534 2.505 10 0 FFAEMO C[N@@H+](C[C@H](O)COc1cccc(Br)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181427114 510403427 /nfs/dbraw/zinc/40/34/27/510403427.db2.gz LINWMDZSOFHGJM-QRTARXTBSA-N 1 1 372.303 2.672 10 0 FFAEMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187730740 510404659 /nfs/dbraw/zinc/40/46/59/510404659.db2.gz OMPZVOOHZZXAKL-AYBZRNKSSA-N 1 1 362.539 2.937 10 0 FFAEMO O=C(Nc1ccccc1C(=O)N1CCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171887023 510428570 /nfs/dbraw/zinc/42/85/70/510428570.db2.gz BIEDWXIQKJIFPH-MRXNPFEDSA-N 1 1 356.470 2.625 10 0 FFAEMO O=C(CCc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCCC1 ZINC000171891730 510431711 /nfs/dbraw/zinc/43/17/11/510431711.db2.gz SSXCXTLWVSFXTP-LJQANCHMSA-N 1 1 370.497 2.554 10 0 FFAEMO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171892241 510433550 /nfs/dbraw/zinc/43/35/50/510433550.db2.gz WELMLYQYDHEUGB-KRWDZBQOSA-N 1 1 356.470 2.543 10 0 FFAEMO CCOCCNC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246370369 510452637 /nfs/dbraw/zinc/45/26/37/510452637.db2.gz IBLPZKRWNRRRIZ-JKSUJKDBSA-N 1 1 354.516 2.569 10 0 FFAEMO CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246374477 510453391 /nfs/dbraw/zinc/45/33/91/510453391.db2.gz AMWMWYHSXROIIQ-HOJAQTOUSA-N 1 1 358.530 2.823 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000246383391 510457455 /nfs/dbraw/zinc/45/74/55/510457455.db2.gz OUISFIVHPLTRKR-SJLPKXTDSA-N 1 1 369.513 2.895 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)C1 ZINC000246383363 510457991 /nfs/dbraw/zinc/45/79/91/510457991.db2.gz OUISFIVHPLTRKR-AEFFLSMTSA-N 1 1 369.513 2.895 10 0 FFAEMO CCC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246389681 510461682 /nfs/dbraw/zinc/46/16/82/510461682.db2.gz PFHKZUZZYIOFTH-YSIASYRMSA-N 1 1 371.525 2.756 10 0 FFAEMO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178160115 510464737 /nfs/dbraw/zinc/46/47/37/510464737.db2.gz QPBRXAKKOCRHBO-MRXNPFEDSA-N 1 1 354.502 2.968 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)C1 ZINC000246413705 510475854 /nfs/dbraw/zinc/47/58/54/510475854.db2.gz LDSUCIKIPOLLTJ-IEBWSBKVSA-N 1 1 360.502 2.612 10 0 FFAEMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246411725 510476006 /nfs/dbraw/zinc/47/60/06/510476006.db2.gz BOVWPKXQEOVOKC-COXVUDFISA-N 1 1 358.417 2.531 10 0 FFAEMO CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000246447063 510493933 /nfs/dbraw/zinc/49/39/33/510493933.db2.gz MNVPEROVMMACAQ-QIJZPMMNSA-N 1 1 373.541 2.685 10 0 FFAEMO O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ncncc1Cl ZINC000175156321 510507437 /nfs/dbraw/zinc/50/74/37/510507437.db2.gz GRDDVNBPICCPMP-UHFFFAOYSA-N 1 1 366.799 2.803 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnccc1NC(=O)OC(C)(C)C ZINC000187950506 510517244 /nfs/dbraw/zinc/51/72/44/510517244.db2.gz UPNJUPUYGATDAC-CQSZACIVSA-N 1 1 362.474 2.985 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000246496575 510521743 /nfs/dbraw/zinc/52/17/43/510521743.db2.gz WLNJOJOQSADZNP-SZVBFZGTSA-N 1 1 368.485 2.597 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000184841545 510540186 /nfs/dbraw/zinc/54/01/86/510540186.db2.gz UYSLLADDSKBPOC-FUHWJXTLSA-N 1 1 363.502 2.633 10 0 FFAEMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@@H](C)C1 ZINC000246535996 510544007 /nfs/dbraw/zinc/54/40/07/510544007.db2.gz CRZWTMWJKFAYJE-CVEARBPZSA-N 1 1 357.498 2.563 10 0 FFAEMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000246579446 510567154 /nfs/dbraw/zinc/56/71/54/510567154.db2.gz SCKXUEWRALSCNM-QUCCMNQESA-N 1 1 371.481 2.816 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000246582816 510569399 /nfs/dbraw/zinc/56/93/99/510569399.db2.gz YIDOEWFLKRVCGB-MAUKXSAKSA-N 1 1 358.486 2.773 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000246587991 510571601 /nfs/dbraw/zinc/57/16/01/510571601.db2.gz YPJCGWQAKSWHSJ-MAUKXSAKSA-N 1 1 373.497 2.791 10 0 FFAEMO C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000246603109 510578505 /nfs/dbraw/zinc/57/85/05/510578505.db2.gz XPOFHJZRFYDKNM-BLLLJJGKSA-N 1 1 357.267 2.741 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000246603109 510578508 /nfs/dbraw/zinc/57/85/08/510578508.db2.gz XPOFHJZRFYDKNM-BLLLJJGKSA-N 1 1 357.267 2.741 10 0 FFAEMO C[C@H]1CN(Cc2ccc(F)cc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000246603109 510578511 /nfs/dbraw/zinc/57/85/11/510578511.db2.gz XPOFHJZRFYDKNM-BLLLJJGKSA-N 1 1 357.267 2.741 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(-n3cccn3)ccc2C)C[C@@H]1C ZINC000191280546 510585471 /nfs/dbraw/zinc/58/54/71/510585471.db2.gz XZTKIMFNGJIKQE-KRWDZBQOSA-N 1 1 371.485 2.755 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(-n3cccn3)ccc2C)C[C@@H]1C ZINC000191280546 510585473 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CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000106138680 250244909 /nfs/dbraw/zinc/24/49/09/250244909.db2.gz BKVROHGAMJAEJK-MRXNPFEDSA-N 1 1 366.469 2.697 10 0 FFAEMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H](Cn4cncn4)C3)c2cc1C ZINC000106175830 250248375 /nfs/dbraw/zinc/24/83/75/250248375.db2.gz NREVUJKIUMZWHE-MRXNPFEDSA-N 1 1 352.438 2.914 10 0 FFAEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077381 250229691 /nfs/dbraw/zinc/22/96/91/250229691.db2.gz AGWKDLGHQMMTKW-WMLDXEAASA-N 1 1 357.433 2.544 10 0 FFAEMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000106070040 250230196 /nfs/dbraw/zinc/23/01/96/250230196.db2.gz PKGSCNLUHVLKEZ-OAQYLSRUSA-N 1 1 367.497 2.502 10 0 FFAEMO CC(C)[C@@H](NC(=O)C[N@H+]1CCCN(c2cccnn2)CC1)c1ccccc1 ZINC000106070040 250230198 /nfs/dbraw/zinc/23/01/98/250230198.db2.gz PKGSCNLUHVLKEZ-OAQYLSRUSA-N 1 1 367.497 2.502 10 0 FFAEMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106429815 250269070 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RHLYMEHCGRJKGY-KKSFZXQISA-N 1 1 355.482 2.756 10 0 FFAEMO CC[C@H]1CN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC[N@H+]1CCOC ZINC000127380680 508441734 /nfs/dbraw/zinc/44/17/34/508441734.db2.gz OKQNRFPMNIOBTO-GJZGRUSLSA-N 1 1 365.440 2.860 10 0 FFAEMO CC[C@@H]1CN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000156665477 508459336 /nfs/dbraw/zinc/45/93/36/508459336.db2.gz JALOAVQTNNXDOK-BHIYHBOVSA-N 1 1 362.514 2.846 10 0 FFAEMO CC[C@H]1CN(C(=O)Cc2cccc3ccc(OC)cc32)CC[N@H+]1C[C@@H](C)O ZINC000156666229 508459535 /nfs/dbraw/zinc/45/95/35/508459535.db2.gz ZKLSDQKMEKVHFH-APWZRJJASA-N 1 1 370.493 2.695 10 0 FFAEMO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000156691638 508463553 /nfs/dbraw/zinc/46/35/53/508463553.db2.gz AZISHNURKSEOCM-FQEVSTJZSA-N 1 1 371.525 2.918 10 0 FFAEMO CCC1(CO)CCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000122075175 508476702 /nfs/dbraw/zinc/47/67/02/508476702.db2.gz CJUHQBBSWARPPK-UHFFFAOYSA-N 1 1 360.502 2.553 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000122091696 508479353 /nfs/dbraw/zinc/47/93/53/508479353.db2.gz IXNOUWTZAQMTIP-INIZCTEOSA-N 1 1 357.458 2.856 10 0 FFAEMO COc1cccc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000116246786 508491607 /nfs/dbraw/zinc/49/16/07/508491607.db2.gz PACQIAARPRQSDP-UZLBHIALSA-N 1 1 353.466 2.660 10 0 FFAEMO CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116247747 508491666 /nfs/dbraw/zinc/49/16/66/508491666.db2.gz PNJQUCYZUDMMHG-MAUKXSAKSA-N 1 1 354.454 2.516 10 0 FFAEMO Cc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cnn1C(C)(C)C ZINC000116248718 508491832 /nfs/dbraw/zinc/49/18/32/508491832.db2.gz IJXVCVFOBZPZFR-KXBFYZLASA-N 1 1 369.513 2.982 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000122199327 508498300 /nfs/dbraw/zinc/49/83/00/508498300.db2.gz SMBUCQCZLJPEAN-HOTGVXAUSA-N 1 1 355.523 2.916 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cccc(F)c1 ZINC000116527068 508525702 /nfs/dbraw/zinc/52/57/02/508525702.db2.gz XYMHTHSSECFNRR-KXBFYZLASA-N 1 1 356.445 2.931 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC[N@@H+]1CCOC ZINC000157152080 508529810 /nfs/dbraw/zinc/52/98/10/508529810.db2.gz GMKBPFAUGHNGLO-KRWDZBQOSA-N 1 1 362.518 2.599 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cnn(CC(C)C)c2C2CC2)CC[N@H+]1CCOC ZINC000157152080 508529816 /nfs/dbraw/zinc/52/98/16/508529816.db2.gz GMKBPFAUGHNGLO-KRWDZBQOSA-N 1 1 362.518 2.599 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccncc1 ZINC000116568936 508531377 /nfs/dbraw/zinc/53/13/77/508531377.db2.gz SHXPENDHVOBEII-APWZRJJASA-N 1 1 353.470 2.529 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cscn1 ZINC000116569183 508531535 /nfs/dbraw/zinc/53/15/35/508531535.db2.gz XOEWBMHSIXWPHE-PBHICJAKSA-N 1 1 359.499 2.590 10 0 FFAEMO CCCN(CC(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116569681 508531819 /nfs/dbraw/zinc/53/18/19/508531819.db2.gz YTXKUHTWTIIZDP-HOCLYGCPSA-N 1 1 354.445 2.979 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)c3cc(-c4ccncc4)on3)CC2)[nH+]1 ZINC000116668004 508544957 /nfs/dbraw/zinc/54/49/57/508544957.db2.gz KOFPSYDFPXORTG-UHFFFAOYSA-N 1 1 363.421 2.839 10 0 FFAEMO CCC(CC)N1C[C@H](C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1=O ZINC000116671121 508545081 /nfs/dbraw/zinc/54/50/81/508545081.db2.gz TZTGKTMSMQFLLN-MRXNPFEDSA-N 1 1 372.513 2.512 10 0 FFAEMO Cc1ccc(N2CCCC2)c(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000116757292 508554970 /nfs/dbraw/zinc/55/49/70/508554970.db2.gz XWKOLKWEEFGCOB-SFHVURJKSA-N 1 1 371.525 2.921 10 0 FFAEMO CCOc1cccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000122672897 508570756 /nfs/dbraw/zinc/57/07/56/508570756.db2.gz FDWYWMURXPBABC-HXUWFJFHSA-N 1 1 370.493 2.643 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000122695796 508573953 /nfs/dbraw/zinc/57/39/53/508573953.db2.gz CJLBXBURZLHOCD-SFHVURJKSA-N 1 1 355.486 2.806 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)C[C@H]1CC ZINC000117026973 508576308 /nfs/dbraw/zinc/57/63/08/508576308.db2.gz FMMGCTZZPJSBRR-JKSUJKDBSA-N 1 1 373.501 2.766 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C[C@H]1C ZINC000117278736 508586977 /nfs/dbraw/zinc/58/69/77/508586977.db2.gz AOYJRUPUUYZBHF-OAHLLOKOSA-N 1 1 374.460 2.503 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)C[C@H]1C ZINC000117278736 508586979 /nfs/dbraw/zinc/58/69/79/508586979.db2.gz AOYJRUPUUYZBHF-OAHLLOKOSA-N 1 1 374.460 2.503 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C[C@@H]1C ZINC000117281340 508588227 /nfs/dbraw/zinc/58/82/27/508588227.db2.gz FTPVKTIHSWAZKO-SFHVURJKSA-N 1 1 370.497 2.672 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C[C@@H]1C ZINC000117281340 508588230 /nfs/dbraw/zinc/58/82/30/508588230.db2.gz FTPVKTIHSWAZKO-SFHVURJKSA-N 1 1 370.497 2.672 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)C[C@H]1C ZINC000117282456 508588338 /nfs/dbraw/zinc/58/83/38/508588338.db2.gz GIHLTMWXYSQFAH-OAHLLOKOSA-N 1 1 370.440 2.693 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)C[C@H]1C ZINC000117282456 508588339 /nfs/dbraw/zinc/58/83/39/508588339.db2.gz GIHLTMWXYSQFAH-OAHLLOKOSA-N 1 1 370.440 2.693 10 0 FFAEMO CC[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)CC[N@H+]1CCOC ZINC000117308097 508591999 /nfs/dbraw/zinc/59/19/99/508591999.db2.gz JCQCWZSVZKSMMP-MRXNPFEDSA-N 1 1 370.440 2.693 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)c3cc(F)cc4nccnc43)CC2)[nH+]c1 ZINC000157687391 508597559 /nfs/dbraw/zinc/59/75/59/508597559.db2.gz SEEXCRJVOLQUQB-UHFFFAOYSA-N 1 1 365.412 2.871 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000117436051 508597817 /nfs/dbraw/zinc/59/78/17/508597817.db2.gz OMEAXDZUWFKHPG-ZDUSSCGKSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000117436051 508597822 /nfs/dbraw/zinc/59/78/22/508597822.db2.gz OMEAXDZUWFKHPG-ZDUSSCGKSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccccc2-n2nc(C)cc2C)C[C@@H]1C ZINC000117441815 508597907 /nfs/dbraw/zinc/59/79/07/508597907.db2.gz QDCRYVKUXNCYGP-KRWDZBQOSA-N 1 1 371.485 2.674 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccccc2-n2nc(C)cc2C)C[C@@H]1C ZINC000117441815 508597912 /nfs/dbraw/zinc/59/79/12/508597912.db2.gz QDCRYVKUXNCYGP-KRWDZBQOSA-N 1 1 371.485 2.674 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@@H]1C ZINC000117440594 508598652 /nfs/dbraw/zinc/59/86/52/508598652.db2.gz RANVHSXSDYKLMC-ZDUSSCGKSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@@H]1C ZINC000117440594 508598659 /nfs/dbraw/zinc/59/86/59/508598659.db2.gz RANVHSXSDYKLMC-ZDUSSCGKSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)cc2C)C[C@@H]1C ZINC000117437795 508598736 /nfs/dbraw/zinc/59/87/36/508598736.db2.gz ODRZEGRJZMMSFQ-KRWDZBQOSA-N 1 1 360.502 2.780 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)cc2C)C[C@@H]1C ZINC000117437795 508598739 /nfs/dbraw/zinc/59/87/39/508598739.db2.gz ODRZEGRJZMMSFQ-KRWDZBQOSA-N 1 1 360.502 2.780 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000128486772 508599669 /nfs/dbraw/zinc/59/96/69/508599669.db2.gz GOJJPXLLAAURFA-MRXNPFEDSA-N 1 1 351.447 2.752 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C[C@H]1C ZINC000117472376 508601116 /nfs/dbraw/zinc/60/11/16/508601116.db2.gz CUEQFAASQSOKDO-APWZRJJASA-N 1 1 357.454 2.731 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C[C@H]1C ZINC000117472376 508601121 /nfs/dbraw/zinc/60/11/21/508601121.db2.gz CUEQFAASQSOKDO-APWZRJJASA-N 1 1 357.454 2.731 10 0 FFAEMO CC[C@H]1CN(C(=O)NCc2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000117481383 508601476 /nfs/dbraw/zinc/60/14/76/508601476.db2.gz OCPRGYAJRRPGAI-INIZCTEOSA-N 1 1 369.893 2.601 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCCCCc2nc(C)cs2)CC[N@H+]1CCOC ZINC000117490980 508601868 /nfs/dbraw/zinc/60/18/68/508601868.db2.gz GJOSLEZSCAZASP-MRXNPFEDSA-N 1 1 368.547 2.526 10 0 FFAEMO CC(=O)c1cccc(OCC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000157738212 508604566 /nfs/dbraw/zinc/60/45/66/508604566.db2.gz ZZOUOVXELIAPLE-UHFFFAOYSA-N 1 1 367.449 2.757 10 0 FFAEMO CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000128580801 508614243 /nfs/dbraw/zinc/61/42/43/508614243.db2.gz FUGJOYYFUXLYLS-OAHLLOKOSA-N 1 1 360.458 2.606 10 0 FFAEMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128614330 508618653 /nfs/dbraw/zinc/61/86/53/508618653.db2.gz BHRIQKIOHULGAG-GOSISDBHSA-N 1 1 350.470 2.993 10 0 FFAEMO CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158038147 508648275 /nfs/dbraw/zinc/64/82/75/508648275.db2.gz XIHWLCSMRWWMIS-DLBZAZTESA-N 1 1 372.431 2.990 10 0 FFAEMO Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)ccc12 ZINC000158413277 508700347 /nfs/dbraw/zinc/70/03/47/508700347.db2.gz PCKYWXSFZXGUJE-OAHLLOKOSA-N 1 1 353.422 2.703 10 0 FFAEMO Cc1cc(=O)oc2cc(OCC[N@@H+]3CC[C@H](c4cnn(C)c4)C3)ccc12 ZINC000158413129 508700685 /nfs/dbraw/zinc/70/06/85/508700685.db2.gz PCKYWXSFZXGUJE-HNNXBMFYSA-N 1 1 353.422 2.703 10 0 FFAEMO CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000129229586 508701407 /nfs/dbraw/zinc/70/14/07/508701407.db2.gz VHVLIJIVCGHMCK-CRAIPNDOSA-N 1 1 361.486 2.569 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H](C)Cc2ccccc2F)C[C@H]1CC ZINC000119044117 508712664 /nfs/dbraw/zinc/71/26/64/508712664.db2.gz IOSLEWHNGLNCQO-FUHWJXTLSA-N 1 1 350.478 2.964 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000158582930 508724002 /nfs/dbraw/zinc/72/40/02/508724002.db2.gz UXSBAHOLAJQIFK-GJYPPUQNSA-N 1 1 362.493 2.680 10 0 FFAEMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nncn3CC)C2)cc1 ZINC000136999875 508731027 /nfs/dbraw/zinc/73/10/27/508731027.db2.gz KKABNCOCHPQXOL-MRXNPFEDSA-N 1 1 371.485 2.905 10 0 FFAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000124044131 508775285 /nfs/dbraw/zinc/77/52/85/508775285.db2.gz AHRSMPHIYYKCEJ-GHMZBOCLSA-N 1 1 364.795 2.886 10 0 FFAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C ZINC000124044131 508775287 /nfs/dbraw/zinc/77/52/87/508775287.db2.gz AHRSMPHIYYKCEJ-GHMZBOCLSA-N 1 1 364.795 2.886 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000119432194 508795165 /nfs/dbraw/zinc/79/51/65/508795165.db2.gz NALVQZTZFGRGTG-QGZVFWFLSA-N 1 1 366.527 2.719 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)nc1 ZINC000124209134 508797314 /nfs/dbraw/zinc/79/73/14/508797314.db2.gz KDNOUKHPKMNDQU-FQEVSTJZSA-N 1 1 352.482 2.778 10 0 FFAEMO COC(=O)c1cc(CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)oc1C ZINC000124213102 508798360 /nfs/dbraw/zinc/79/83/60/508798360.db2.gz MWRQXLFMMURCNA-OAHLLOKOSA-N 1 1 365.474 2.636 10 0 FFAEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159142591 508798469 /nfs/dbraw/zinc/79/84/69/508798469.db2.gz OMVKLHOVGAGHMW-JHJVBQTASA-N 1 1 372.435 2.770 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)CC/C=C/c3ccccc3)CC2)cn1 ZINC000159170280 508802645 /nfs/dbraw/zinc/80/26/45/508802645.db2.gz PCKKAAMKYASCQP-BJMVGYQFSA-N 1 1 352.482 2.948 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(C(=O)CC/C=C/c3ccccc3)CC2)cn1 ZINC000159170280 508802648 /nfs/dbraw/zinc/80/26/48/508802648.db2.gz PCKKAAMKYASCQP-BJMVGYQFSA-N 1 1 352.482 2.948 10 0 FFAEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000154545674 508806267 /nfs/dbraw/zinc/80/62/67/508806267.db2.gz GHTZSWCOTYJEAU-YOEHRIQHSA-N 1 1 372.469 2.700 10 0 FFAEMO CCCCc1nnc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000124353243 508819561 /nfs/dbraw/zinc/81/95/61/508819561.db2.gz VDMRYQFXXSRDFU-CYBMUJFWSA-N 1 1 367.519 2.598 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124360336 508820615 /nfs/dbraw/zinc/82/06/15/508820615.db2.gz LSAFKLCDUVYVBE-OAHLLOKOSA-N 1 1 371.865 2.978 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)[nH+]c1 ZINC000130725975 508836860 /nfs/dbraw/zinc/83/68/60/508836860.db2.gz XKPIACBWRYBUEE-UWJYYQICSA-N 1 1 372.513 2.695 10 0 FFAEMO Cc1c2ccccc2oc1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119696468 508845451 /nfs/dbraw/zinc/84/54/51/508845451.db2.gz IUBZNQFFZMCLEN-SFHVURJKSA-N 1 1 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CCn1cc(CN2CCC[N@@H+](Cc3cc(OC)cc(OC)c3)CC2)cn1 ZINC000121625693 509179665 /nfs/dbraw/zinc/17/96/65/509179665.db2.gz AKCCFKJWBJUAFK-UHFFFAOYSA-N 1 1 358.486 2.628 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(Cc3cc(OC)cc(OC)c3)CC2)cn1 ZINC000121625693 509179666 /nfs/dbraw/zinc/17/96/66/509179666.db2.gz AKCCFKJWBJUAFK-UHFFFAOYSA-N 1 1 358.486 2.628 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(Cc3cc(OC)cc(OC)c3)CC2)cn1 ZINC000121625693 509179667 /nfs/dbraw/zinc/17/96/67/509179667.db2.gz AKCCFKJWBJUAFK-UHFFFAOYSA-N 1 1 358.486 2.628 10 0 FFAEMO CC[C@@H]1CN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC[N@H+]1CCOC ZINC000175877387 509193941 /nfs/dbraw/zinc/19/39/41/509193941.db2.gz MLGZEJMQGHVOIA-HZPDHXFCSA-N 1 1 366.531 2.655 10 0 FFAEMO Cn1nccc1C1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000195502537 509194694 /nfs/dbraw/zinc/19/46/94/509194694.db2.gz GXJNSJXHEIPWKU-UHFFFAOYSA-N 1 1 356.474 2.550 10 0 FFAEMO CCCOc1ccc(CNC(=O)C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000195504278 509198186 /nfs/dbraw/zinc/19/81/86/509198186.db2.gz 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371.485 2.755 10 0 FFAEMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000246625767 510589990 /nfs/dbraw/zinc/58/99/90/510589990.db2.gz UQXYHKKGBLJGEI-SLYNCCJLSA-N 1 1 371.525 2.977 10 0 FFAEMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246625754 510590401 /nfs/dbraw/zinc/59/04/01/510590401.db2.gz UQXYHKKGBLJGEI-QFUCXCTJSA-N 1 1 371.525 2.977 10 0 FFAEMO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188124877 510606113 /nfs/dbraw/zinc/60/61/13/510606113.db2.gz PMZUKDPRCNREID-HOTGVXAUSA-N 1 1 360.479 2.712 10 0 FFAEMO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188124877 510606122 /nfs/dbraw/zinc/60/61/22/510606122.db2.gz PMZUKDPRCNREID-HOTGVXAUSA-N 1 1 360.479 2.712 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000246727320 510637665 /nfs/dbraw/zinc/63/76/65/510637665.db2.gz AKMHREZAWSDQRK-QFBILLFUSA-N 1 1 355.486 2.742 10 0 FFAEMO 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/nfs/dbraw/zinc/67/53/42/510675342.db2.gz BLXQGYHSVWPEPW-KGLIPLIRSA-N 1 1 360.483 2.816 10 0 FFAEMO O[C@@]12CCCC[C@@H]1C[NH+](C/C=C/C[N@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246792360 510676495 /nfs/dbraw/zinc/67/64/95/510676495.db2.gz ITGGTOHETDSWEI-BCSRTNNJSA-N 1 1 362.558 2.797 10 0 FFAEMO O[C@@]12CCCC[C@@H]1C[N@H+](C/C=C/C[NH+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246792360 510676499 /nfs/dbraw/zinc/67/64/99/510676499.db2.gz ITGGTOHETDSWEI-BCSRTNNJSA-N 1 1 362.558 2.797 10 0 FFAEMO Cc1cnn([C@@H]2CCCN(CC[N@H+]3CCC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000246794495 510678610 /nfs/dbraw/zinc/67/86/10/510678610.db2.gz RWZVWPWYAWISGE-WOJBJXKFSA-N 1 1 356.518 2.670 10 0 FFAEMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000172347454 510682956 /nfs/dbraw/zinc/68/29/56/510682956.db2.gz LQAAVVQSAWLEJL-CYBMUJFWSA-N 1 1 353.413 2.785 10 0 FFAEMO CC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246809483 510687520 /nfs/dbraw/zinc/68/75/20/510687520.db2.gz 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CCc1ccc(-n2nc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000171605767 510249106 /nfs/dbraw/zinc/24/91/06/510249106.db2.gz CWCKQXHFWMTZMY-SFHVURJKSA-N 1 1 364.493 2.844 10 0 FFAEMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000181044544 510253501 /nfs/dbraw/zinc/25/35/01/510253501.db2.gz KCZSXVJFRUPINT-IEBWSBKVSA-N 1 1 355.486 2.578 10 0 FFAEMO CCOCC[N@H+]1CCN(c2cc(CC)nc(-c3ccccn3)n2)C[C@@H]1C ZINC000246037045 510258227 /nfs/dbraw/zinc/25/82/27/510258227.db2.gz QOWSHWHQLQKBNW-INIZCTEOSA-N 1 1 355.486 2.648 10 0 FFAEMO Cn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190657790 510266639 /nfs/dbraw/zinc/26/66/39/510266639.db2.gz GXYZYSGDTHHMGB-KRWDZBQOSA-N 1 1 369.513 2.707 10 0 FFAEMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1F ZINC000171643793 510272568 /nfs/dbraw/zinc/27/25/68/510272568.db2.gz MXRXANDWAGORAG-KRWDZBQOSA-N 1 1 356.445 2.579 10 0 FFAEMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647986 510278181 /nfs/dbraw/zinc/27/81/81/510278181.db2.gz WKLCITQMFUHIEL-IAGOWNOFSA-N 1 1 350.466 2.793 10 0 FFAEMO Cc1cccc(OC(F)F)c1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177832639 510278401 /nfs/dbraw/zinc/27/84/01/510278401.db2.gz PTKRHMZDQSIRBH-ZIAGYGMSSA-N 1 1 369.412 2.781 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCCc2cccs2)C1 ZINC000190677968 510279904 /nfs/dbraw/zinc/27/99/04/510279904.db2.gz VPKPJVHTCBTHHW-QGZVFWFLSA-N 1 1 358.511 2.849 10 0 FFAEMO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652753 510281959 /nfs/dbraw/zinc/28/19/59/510281959.db2.gz OJNJMGLUKBNMIP-IBGZPJMESA-N 1 1 352.482 2.749 10 0 FFAEMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000171652753 510281963 /nfs/dbraw/zinc/28/19/63/510281963.db2.gz OJNJMGLUKBNMIP-IBGZPJMESA-N 1 1 352.482 2.749 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)n1 ZINC000171652648 510282093 /nfs/dbraw/zinc/28/20/93/510282093.db2.gz OUCRTNKREQZVFG-PKOBYXMFSA-N 1 1 352.482 2.829 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)n1 ZINC000171652648 510282099 /nfs/dbraw/zinc/28/20/99/510282099.db2.gz OUCRTNKREQZVFG-PKOBYXMFSA-N 1 1 352.482 2.829 10 0 FFAEMO Cc1ccc2cccc(NC(=O)N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2n1 ZINC000177840842 510282362 /nfs/dbraw/zinc/28/23/62/510282362.db2.gz MTTUJBGCTRCIJB-KBXCAEBGSA-N 1 1 354.454 2.728 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCc2cccc(F)c2)C1 ZINC000190686886 510285981 /nfs/dbraw/zinc/28/59/81/510285981.db2.gz CEMUYYCYVNAPAS-IBGZPJMESA-N 1 1 370.472 2.927 10 0 FFAEMO C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1cccnc1 ZINC000190686007 510286792 /nfs/dbraw/zinc/28/67/92/510286792.db2.gz XGLGXPYHSMZMGN-FUHWJXTLSA-N 1 1 353.470 2.701 10 0 FFAEMO C[C@@H]1CN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@H]1[NH+]1CCOCC1 ZINC000177893691 510315074 /nfs/dbraw/zinc/31/50/74/510315074.db2.gz KVMBSGZBRLYFJC-CXAGYDPISA-N 1 1 370.453 2.890 10 0 FFAEMO CCOc1cc(Cl)ccc1NC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000181235493 510316497 /nfs/dbraw/zinc/31/64/97/510316497.db2.gz AWHINMZEZGMUET-CQSZACIVSA-N 1 1 355.866 2.659 10 0 FFAEMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCc3ccc(C)cc3)CC2)n1 ZINC000246143284 510316666 /nfs/dbraw/zinc/31/66/66/510316666.db2.gz GUPKAEZJHOSTNR-KRWDZBQOSA-N 1 1 358.486 2.836 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1C ZINC000184430078 510320376 /nfs/dbraw/zinc/32/03/76/510320376.db2.gz NGRZAASBNDEAKK-HNNXBMFYSA-N 1 1 374.510 2.918 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)C[C@@H]1C ZINC000184430078 510320379 /nfs/dbraw/zinc/32/03/79/510320379.db2.gz NGRZAASBNDEAKK-HNNXBMFYSA-N 1 1 374.510 2.918 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000246149722 510320752 /nfs/dbraw/zinc/32/07/52/510320752.db2.gz GSOHZMQSXMUZOW-IFXJQAMLSA-N 1 1 359.420 2.929 10 0 FFAEMO CCOC1CC(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000190752586 510325497 /nfs/dbraw/zinc/32/54/97/510325497.db2.gz QUTGHEYZRDJAGW-CLPROHDKSA-N 1 1 374.529 2.796 10 0 FFAEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2CO)[C@H]1c1cccs1 ZINC000246165892 510332275 /nfs/dbraw/zinc/33/22/75/510332275.db2.gz IOKVFEJNFADVOF-HPFXQQBRSA-N 1 1 365.543 2.981 10 0 FFAEMO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C[N@H+]1C1CC1 ZINC000246171502 510336418 /nfs/dbraw/zinc/33/64/18/510336418.db2.gz FZVWXFMNXDGHSH-YALNPMBYSA-N 1 1 363.527 2.971 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000177944941 510340253 /nfs/dbraw/zinc/34/02/53/510340253.db2.gz BSYGYWGZYTUSBN-QGZVFWFLSA-N 1 1 369.469 2.898 10 0 FFAEMO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000246186546 510348402 /nfs/dbraw/zinc/34/84/02/510348402.db2.gz VPADBGBHGRDQQL-CRAIPNDOSA-N 1 1 371.485 2.903 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C[C@H]1N1CCOCC1 ZINC000246197900 510355490 /nfs/dbraw/zinc/35/54/90/510355490.db2.gz WRSMZQVFAHAMMM-MAUKXSAKSA-N 1 1 363.527 2.613 10 0 FFAEMO C[C@@H]1CN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C[C@H]1[NH+]1CCOCC1 ZINC000246197836 510355615 /nfs/dbraw/zinc/35/56/15/510355615.db2.gz WQSRVXOZGUDMAI-JEBQAFNWSA-N 1 1 363.889 2.689 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1C ZINC000177981296 510358235 /nfs/dbraw/zinc/35/82/35/510358235.db2.gz WNFBIWCHZNWHHA-HNNXBMFYSA-N 1 1 360.845 2.783 10 0 FFAEMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171775354 510362902 /nfs/dbraw/zinc/36/29/02/510362902.db2.gz MNTZKELGHPAMIU-OTYNDTSQSA-N 1 1 368.525 2.672 10 0 FFAEMO O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171775354 510362908 /nfs/dbraw/zinc/36/29/08/510362908.db2.gz MNTZKELGHPAMIU-OTYNDTSQSA-N 1 1 368.525 2.672 10 0 FFAEMO CN1C(=O)CC[C@H](C(=O)NCC[N@@H+](C)C2CCCC2)[C@H]1c1ccccc1 ZINC000171804557 510380880 /nfs/dbraw/zinc/38/08/80/510380880.db2.gz FIAYDYOTCDTZOB-AZUAARDMSA-N 1 1 357.498 2.587 10 0 FFAEMO C/C(=C\C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1cccc(F)c1 ZINC000171810272 510383331 /nfs/dbraw/zinc/38/33/31/510383331.db2.gz WEZDPIFDXPHPGY-LFIBNONCSA-N 1 1 356.445 2.697 10 0 FFAEMO C/C(=C\C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1cccc(F)c1 ZINC000171810272 510383338 /nfs/dbraw/zinc/38/33/38/510383338.db2.gz WEZDPIFDXPHPGY-LFIBNONCSA-N 1 1 356.445 2.697 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(SC(F)F)cc2)cn1 ZINC000181389411 510386448 /nfs/dbraw/zinc/38/64/48/510386448.db2.gz NBABAKOTCJDFAJ-CQSZACIVSA-N 1 1 352.410 2.522 10 0 FFAEMO COc1ccc([C@@H](NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)C(C)C)cc1 ZINC000246250159 510389223 /nfs/dbraw/zinc/38/92/23/510389223.db2.gz WOQHQJREAZLSBL-RXVVDRJESA-N 1 1 359.514 2.679 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCc2ccc(C(C)(C)C)cc2)cn1 ZINC000181419837 510400635 /nfs/dbraw/zinc/40/06/35/510400635.db2.gz SBVRDXGTKPVXDZ-IBGZPJMESA-N 1 1 354.498 2.823 10 0 FFAEMO CC(C)(C)c1csc(C2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)n1 ZINC000262768512 510404608 /nfs/dbraw/zinc/40/46/08/510404608.db2.gz HYWXUVRPNSQHPF-UHFFFAOYSA-N 1 1 373.526 2.829 10 0 FFAEMO CSc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000246284595 510405962 /nfs/dbraw/zinc/40/59/62/510405962.db2.gz BVJZGGOULBOHML-BXUZGUMPSA-N 1 1 369.918 2.845 10 0 FFAEMO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181439019 510409630 /nfs/dbraw/zinc/40/96/30/510409630.db2.gz BADDAWFGEIFRLI-MRXNPFEDSA-N 1 1 357.845 2.650 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000174987068 510421366 /nfs/dbraw/zinc/42/13/66/510421366.db2.gz WTIVIFBDRLVWDA-QZTJIDSGSA-N 1 1 369.513 2.672 10 0 FFAEMO O=C(Nc1ccccc1C(=O)N1CCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171887024 510428261 /nfs/dbraw/zinc/42/82/61/510428261.db2.gz BIEDWXIQKJIFPH-INIZCTEOSA-N 1 1 356.470 2.625 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1cc(F)ccc1Br ZINC000246326225 510428331 /nfs/dbraw/zinc/42/83/31/510428331.db2.gz TYNFECAXBLSSHO-RISCZKNCSA-N 1 1 355.251 2.826 10 0 FFAEMO Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171891940 510432517 /nfs/dbraw/zinc/43/25/17/510432517.db2.gz GQJUSZIYYGQCLH-GOSISDBHSA-N 1 1 370.497 2.979 10 0 FFAEMO CCOc1ccc(CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1OCC ZINC000171897463 510435632 /nfs/dbraw/zinc/43/56/32/510435632.db2.gz WXARKABBQUDZRF-KRWDZBQOSA-N 1 1 361.486 2.516 10 0 FFAEMO O=C(NCc1ccc(F)cc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171903904 510441584 /nfs/dbraw/zinc/44/15/84/510441584.db2.gz CLQRRBQCDJPAIU-CYBMUJFWSA-N 1 1 356.239 2.578 10 0 FFAEMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc(N2CCCC2)cc1 ZINC000178125741 510446432 /nfs/dbraw/zinc/44/64/32/510446432.db2.gz WQZDSXRTJYVWTR-UTKZUKDTSA-N 1 1 357.498 2.852 10 0 FFAEMO COC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194641129 510459091 /nfs/dbraw/zinc/45/90/91/510459091.db2.gz CIMOUCGSMIZLAT-IAGOWNOFSA-N 1 1 351.878 2.907 10 0 FFAEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000246386889 510460609 /nfs/dbraw/zinc/46/06/09/510460609.db2.gz NVYITVGSVUMQSM-GBMAXXPESA-N 1 1 373.541 2.993 10 0 FFAEMO CC[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246398502 510467142 /nfs/dbraw/zinc/46/71/42/510467142.db2.gz FJSFENHAISRARW-RYUDHWBXSA-N 1 1 373.266 2.505 10 0 FFAEMO CC[C@H]1CN(C(=O)c2c(F)cccc2Br)CC[N@H+]1C[C@H](C)O ZINC000246398502 510467143 /nfs/dbraw/zinc/46/71/43/510467143.db2.gz FJSFENHAISRARW-RYUDHWBXSA-N 1 1 373.266 2.505 10 0 FFAEMO C[C@H](C(F)(F)F)S(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000184732425 510489135 /nfs/dbraw/zinc/48/91/35/510489135.db2.gz VHSAPGBBJQNQLU-IYXRBSQSSA-N 1 1 356.454 2.900 10 0 FFAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246452339 510495855 /nfs/dbraw/zinc/49/58/55/510495855.db2.gz OMVKLHOVGAGHMW-AGIUHOORSA-N 1 1 372.435 2.770 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c2ncccc12 ZINC000246472293 510508433 /nfs/dbraw/zinc/50/84/33/510508433.db2.gz WJIGVEZLLHFBKP-CVEARBPZSA-N 1 1 359.495 2.791 10 0 FFAEMO C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630533 510511662 /nfs/dbraw/zinc/51/16/62/510511662.db2.gz AADXXBMCPYQGKO-HFSMHLIXSA-N 1 1 357.542 2.929 10 0 FFAEMO C[C@H](NC(=O)[C@@H](Cc1ccccc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630533 510511666 /nfs/dbraw/zinc/51/16/66/510511666.db2.gz AADXXBMCPYQGKO-HFSMHLIXSA-N 1 1 357.542 2.929 10 0 FFAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2nc(-c3cccs3)no2)C1 ZINC000246491429 510518269 /nfs/dbraw/zinc/51/82/69/510518269.db2.gz DRADJAIXZJHPNW-KBPBESRZSA-N 1 1 360.483 2.673 10 0 FFAEMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ncncc1Cl ZINC000175180864 510520575 /nfs/dbraw/zinc/52/05/75/510520575.db2.gz NFVQKPYRHLZWTC-GFCCVEGCSA-N 1 1 350.875 2.834 10 0 FFAEMO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000178305562 510537601 /nfs/dbraw/zinc/53/76/01/510537601.db2.gz OLNBOYFFXLSRJN-RTBURBONSA-N 1 1 367.497 2.684 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000178314371 510541311 /nfs/dbraw/zinc/54/13/11/510541311.db2.gz FRWPHYGVXCRUSY-MRXNPFEDSA-N 1 1 371.416 2.957 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FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cnc3onc(C(C)C)c3c2)C[C@@H]1CC ZINC000172298902 510653541 /nfs/dbraw/zinc/65/35/41/510653541.db2.gz ANQCILCWHPPHDT-INIZCTEOSA-N 1 1 374.485 2.919 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C[C@H]1CC ZINC000172299427 510653831 /nfs/dbraw/zinc/65/38/31/510653831.db2.gz QTGXSPYKXNGOQV-QGZVFWFLSA-N 1 1 374.460 2.584 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C[C@H]1CC ZINC000172299427 510653838 /nfs/dbraw/zinc/65/38/38/510653838.db2.gz QTGXSPYKXNGOQV-QGZVFWFLSA-N 1 1 374.460 2.584 10 0 FFAEMO COCc1cccc(CC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000188221746 510655825 /nfs/dbraw/zinc/65/58/25/510655825.db2.gz XJTQZBNUGBXQGI-UHFFFAOYSA-N 1 1 353.466 2.864 10 0 FFAEMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246757664 510655935 /nfs/dbraw/zinc/65/59/35/510655935.db2.gz NNGRMXUKNHNFDN-DOTOQJQBSA-N 1 1 352.442 2.725 10 0 FFAEMO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246757664 510655944 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YYRVBAJZNHAUPW-JKIFEVAISA-N 1 1 351.878 2.763 10 0 FFAEMO Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000175627015 510700824 /nfs/dbraw/zinc/70/08/24/510700824.db2.gz DLAOXXLAORIPJP-QGZVFWFLSA-N 1 1 366.469 2.724 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000246834727 510702168 /nfs/dbraw/zinc/70/21/68/510702168.db2.gz AXSRFBMISCOACH-KBPBESRZSA-N 1 1 357.376 2.722 10 0 FFAEMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000246851341 510708562 /nfs/dbraw/zinc/70/85/62/510708562.db2.gz RIXMDHINVJEPLB-SJORKVTESA-N 1 1 355.486 2.964 10 0 FFAEMO C[C@@H](CCNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646318 510711078 /nfs/dbraw/zinc/71/10/78/510711078.db2.gz XCELVYKCJZWXKD-PKOBYXMFSA-N 1 1 369.513 2.830 10 0 FFAEMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246853151 510712041 /nfs/dbraw/zinc/71/20/41/510712041.db2.gz KVOXXKPFZURETF-OALUTQOASA-N 1 1 359.514 2.675 10 0 FFAEMO 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/nfs/dbraw/zinc/01/07/54/513010754.db2.gz YSOCBQKWQWCLEA-GOSISDBHSA-N 1 1 358.486 2.727 10 0 FFAEMO Cc1c(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nnn1-c1cccc(C)c1 ZINC000408184068 513017100 /nfs/dbraw/zinc/01/71/00/513017100.db2.gz VWULUIXNEHEGEO-MAUKXSAKSA-N 1 1 353.470 2.583 10 0 FFAEMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nn1-c1c(F)cccc1F ZINC000408269738 513036153 /nfs/dbraw/zinc/03/61/53/513036153.db2.gz SMVQKKJGQKJQJQ-WBVHZDCISA-N 1 1 360.408 2.816 10 0 FFAEMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccc3c2CCC3)CCC[N@H+]1C ZINC000551806996 516880703 /nfs/dbraw/zinc/88/07/03/516880703.db2.gz SNFQFAXEDCZJCV-OXJNMPFZSA-N 1 1 352.482 2.722 10 0 FFAEMO CCOCC[N@H+]1CCN(Cn2nnc3ccccc3c2=S)C[C@@H]1CC ZINC000152618845 728762627 /nfs/dbraw/zinc/76/26/27/728762627.db2.gz VBSUVMDSMJTDGP-HNNXBMFYSA-N 1 1 361.515 2.551 10 0 FFAEMO C[N@@H+](CCN1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000160323787 728920087 /nfs/dbraw/zinc/92/00/87/728920087.db2.gz LCIRAVJIXIWAGI-KRWDZBQOSA-N 1 1 351.466 2.857 10 0 FFAEMO CN(CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000160323787 728920088 /nfs/dbraw/zinc/92/00/88/728920088.db2.gz LCIRAVJIXIWAGI-KRWDZBQOSA-N 1 1 351.466 2.857 10 0 FFAEMO CN(CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000160323787 728920089 /nfs/dbraw/zinc/92/00/89/728920089.db2.gz LCIRAVJIXIWAGI-KRWDZBQOSA-N 1 1 351.466 2.857 10 0 FFAEMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000056513638 728103270 /nfs/dbraw/zinc/10/32/70/728103270.db2.gz ZGNFGRVIRQDIKA-BBRMVZONSA-N 1 1 356.413 2.987 10 0 FFAEMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000056513638 728103273 /nfs/dbraw/zinc/10/32/73/728103273.db2.gz ZGNFGRVIRQDIKA-BBRMVZONSA-N 1 1 356.413 2.987 10 0 FFAEMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076007700 728253806 /nfs/dbraw/zinc/25/38/06/728253806.db2.gz PPFBHHZHWUKMQV-BZUAXINKSA-N 1 1 353.507 2.765 10 0 FFAEMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C 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CCSCC[C@@H](C)NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173622298 729051000 /nfs/dbraw/zinc/05/10/00/729051000.db2.gz ZPUUHHAISHRAJR-AEFFLSMTSA-N 1 1 365.543 2.579 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000190091062 729405046 /nfs/dbraw/zinc/40/50/46/729405046.db2.gz KURFSSKPEIMZGQ-WCQYABFASA-N 1 1 369.437 2.635 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CCNC(=O)OC(C)(C)C)C1 ZINC000190470156 729408652 /nfs/dbraw/zinc/40/86/52/729408652.db2.gz HPPKCNOQGAOUCN-OAHLLOKOSA-N 1 1 368.547 2.730 10 0 FFAEMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000190470156 729408653 /nfs/dbraw/zinc/40/86/53/729408653.db2.gz HPPKCNOQGAOUCN-OAHLLOKOSA-N 1 1 368.547 2.730 10 0 FFAEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000190470156 729408655 /nfs/dbraw/zinc/40/86/55/729408655.db2.gz HPPKCNOQGAOUCN-OAHLLOKOSA-N 1 1 368.547 2.730 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ncc(Br)s1 ZINC000192432363 729425085 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WTQLEUYEXVSRAR-MHKRFPNSSA-N 1 1 365.543 2.757 10 0 FFAEMO S=c1n(CN2CC[N@H+]3CCC[C@H]3C2)nc(-c2ccncc2)n1C1CC1 ZINC000247118773 729594214 /nfs/dbraw/zinc/59/42/14/729594214.db2.gz PPRLWSBKOVYHMZ-INIZCTEOSA-N 1 1 356.499 2.548 10 0 FFAEMO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247737423 729600006 /nfs/dbraw/zinc/60/00/06/729600006.db2.gz NBYUDOHGZJFBSI-LSDHHAIUSA-N 1 1 362.905 2.721 10 0 FFAEMO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247737417 729600033 /nfs/dbraw/zinc/60/00/33/729600033.db2.gz NBYUDOHGZJFBSI-GJZGRUSLSA-N 1 1 362.905 2.721 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000255778699 729646983 /nfs/dbraw/zinc/64/69/83/729646983.db2.gz UMMDFEMDFOXZCO-WKTRQSJXSA-N 1 1 373.316 2.824 10 0 FFAEMO O=C(N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cncc(Cl)n1 ZINC000311191594 729742463 /nfs/dbraw/zinc/74/24/63/729742463.db2.gz CYIWQFHTVPHJNS-HRCADAONSA-N 1 1 356.857 2.770 10 0 FFAEMO C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000115853288 962481339 /nfs/dbraw/zinc/48/13/39/962481339.db2.gz ZDHSETXQIQSCLH-MSOLQXFVSA-N 1 1 361.534 2.854 10 0 FFAEMO C[C@@H]1CCC[C@@H](CCNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000115853288 962481354 /nfs/dbraw/zinc/48/13/54/962481354.db2.gz ZDHSETXQIQSCLH-MSOLQXFVSA-N 1 1 361.534 2.854 10 0 FFAEMO Cn1c2nnc(C[N@@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)n2c2ccsc2c1=O ZINC000333653221 964292219 /nfs/dbraw/zinc/29/22/19/964292219.db2.gz FHEUAPKNXZJGDB-UXVJVKIESA-N 1 1 369.494 2.511 10 0 FFAEMO Cn1c2nnc(C[N@H+]3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)n2c2ccsc2c1=O ZINC000333653221 964292223 /nfs/dbraw/zinc/29/22/23/964292223.db2.gz FHEUAPKNXZJGDB-UXVJVKIESA-N 1 1 369.494 2.511 10 0 FFAEMO Cc1oc(-c2ccccc2)nc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333849856 965377897 /nfs/dbraw/zinc/37/78/97/965377897.db2.gz NDXKQOIOAZVOLP-MJGOQNOKSA-N 1 1 353.466 2.850 10 0 FFAEMO O=C(N[C@H]1CCc2c[nH]nc2C1)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000332688324 977666419 /nfs/dbraw/zinc/66/64/19/977666419.db2.gz PFJPGUQHGFPNES-DXIQSLLYSA-N 1 1 364.493 2.686 10 0 FFAEMO CCCOc1cccc(CC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000129339916 981207713 /nfs/dbraw/zinc/20/77/13/981207713.db2.gz GQEHSXHKNDKYIV-HXUWFJFHSA-N 1 1 373.541 2.646 10 0 FFAEMO O=C(c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1)N1CCCC1 ZINC000109821685 1005865180 /nfs/dbraw/zinc/86/51/80/1005865180.db2.gz LIUJPRDPNOUFFE-OAQYLSRUSA-N 1 1 371.525 2.609 10 0 FFAEMO CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCC(c3cc[nH]n3)CC2)n1 ZINC000333239732 1007420493 /nfs/dbraw/zinc/42/04/93/1007420493.db2.gz IGADPORQTUVKFJ-PKOBYXMFSA-N 1 1 370.501 3.199 10 0 FFAEMO CN(C)c1nc(-c2ccc(F)cc2)nc2c1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096083814 209110335 /nfs/dbraw/zinc/11/03/35/209110335.db2.gz PTTNUXWUQNEPKN-INIZCTEOSA-N 1 1 356.445 2.538 10 0 FFAEMO CN(C)c1nc(-c2ccc(F)cc2)nc2c1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096083813 209109366 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/nfs/dbraw/zinc/26/26/51/510262651.db2.gz SWJFAEOIUBMVLU-UHFFFAOYSA-N 1 1 362.477 2.959 10 0 FFAEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000246044728 510262665 /nfs/dbraw/zinc/26/26/65/510262665.db2.gz ZASUJNVZDJNTSX-YLJYHZDGSA-N 1 1 358.530 2.907 10 0 FFAEMO C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CCC2)C[C@H]1[NH+]1CCOCC1 ZINC000246058132 510268842 /nfs/dbraw/zinc/26/88/42/510268842.db2.gz ATTWFSBDNIHUFX-NSISKUIASA-N 1 1 357.498 2.890 10 0 FFAEMO CS[C@@H]1CCCC[N@@H+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246064032 510272734 /nfs/dbraw/zinc/27/27/34/510272734.db2.gz CYEKJETWJQZXFD-WBVHZDCISA-N 1 1 357.541 2.515 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000246066324 510272997 /nfs/dbraw/zinc/27/29/97/510272997.db2.gz AUCOKGHKRMNUAU-KSZLIROESA-N 1 1 359.518 2.659 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000246066324 510273004 /nfs/dbraw/zinc/27/30/04/510273004.db2.gz 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Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCS2)C1 ZINC000190724730 510308909 /nfs/dbraw/zinc/30/89/09/510308909.db2.gz QANHBHYUIRQFNO-CABCVRRESA-N 1 1 368.572 2.810 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000246140147 510317026 /nfs/dbraw/zinc/31/70/26/510317026.db2.gz AZDNYAIRCFTUFS-OAGGEKHMSA-N 1 1 360.506 2.505 10 0 FFAEMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702628 510317069 /nfs/dbraw/zinc/31/70/69/510317069.db2.gz YDUAKTXUJXHNIF-STQMWFEESA-N 1 1 367.375 2.961 10 0 FFAEMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171702628 510317071 /nfs/dbraw/zinc/31/70/71/510317071.db2.gz YDUAKTXUJXHNIF-STQMWFEESA-N 1 1 367.375 2.961 10 0 FFAEMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705066 510318823 /nfs/dbraw/zinc/31/88/23/510318823.db2.gz QTIVWWIHNSCYBZ-WFASDCNBSA-N 1 1 367.375 2.961 10 0 FFAEMO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705066 510318831 /nfs/dbraw/zinc/31/88/31/510318831.db2.gz QTIVWWIHNSCYBZ-WFASDCNBSA-N 1 1 367.375 2.961 10 0 FFAEMO CCOC1CC(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000190752603 510325579 /nfs/dbraw/zinc/32/55/79/510325579.db2.gz QUTGHEYZRDJAGW-KTLDDFEXSA-N 1 1 374.529 2.796 10 0 FFAEMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000246169415 510334859 /nfs/dbraw/zinc/33/48/59/510334859.db2.gz SEIKUKINELSDOO-MJGOQNOKSA-N 1 1 369.513 2.972 10 0 FFAEMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000246169415 510334866 /nfs/dbraw/zinc/33/48/66/510334866.db2.gz SEIKUKINELSDOO-MJGOQNOKSA-N 1 1 369.513 2.972 10 0 FFAEMO CC(C)(C)OC[C@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308710 510349378 /nfs/dbraw/zinc/34/93/78/510349378.db2.gz VGEYLKRACCHAGT-DLBZAZTESA-N 1 1 358.486 2.827 10 0 FFAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181308723 510350023 /nfs/dbraw/zinc/35/00/23/510350023.db2.gz 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ZINC000246217799 510371176 /nfs/dbraw/zinc/37/11/76/510371176.db2.gz AYFKDOQZLXXOFH-IAGOWNOFSA-N 1 1 370.921 2.512 10 0 FFAEMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246223916 510374357 /nfs/dbraw/zinc/37/43/57/510374357.db2.gz BNMAIRIRNCLIEK-XDNAFOTISA-N 1 1 359.518 2.555 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cn1 ZINC000181403450 510392481 /nfs/dbraw/zinc/39/24/81/510392481.db2.gz MCGXDQSVJOZBBP-RRGWEWPQSA-N 1 1 364.371 2.625 10 0 FFAEMO O=S(=O)(c1cccc2cccnc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246264057 510395376 /nfs/dbraw/zinc/39/53/76/510395376.db2.gz GQCGSHMGRLBHSU-FUHWJXTLSA-N 1 1 371.506 2.872 10 0 FFAEMO CC(=O)OCCCc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000190888607 510396028 /nfs/dbraw/zinc/39/60/28/510396028.db2.gz CBPNDEDSCPBUFT-HNAYVOBHSA-N 1 1 359.470 2.883 10 0 FFAEMO Cc1ccc2c(c1)[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H](C)C2 ZINC000181424998 510402597 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000174991504 510424091 /nfs/dbraw/zinc/42/40/91/510424091.db2.gz OYAHBMFWXXPWMI-QZTJIDSGSA-N 1 1 358.486 2.915 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)C[C@@H]1C ZINC000184625258 510425131 /nfs/dbraw/zinc/42/51/31/510425131.db2.gz AALYZGCANBSIBW-STQMWFEESA-N 1 1 353.429 2.716 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)C[C@@H]1C ZINC000184625258 510425138 /nfs/dbraw/zinc/42/51/38/510425138.db2.gz AALYZGCANBSIBW-STQMWFEESA-N 1 1 353.429 2.716 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000175005183 510432739 /nfs/dbraw/zinc/43/27/39/510432739.db2.gz JPUKYFDZZKFGAP-LSDHHAIUSA-N 1 1 364.873 2.739 10 0 FFAEMO C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1(Cl)Cl ZINC000190961052 510437160 /nfs/dbraw/zinc/43/71/60/510437160.db2.gz SDYNLHAMHPXQNJ-DOTOQJQBSA-N 1 1 371.308 2.978 10 0 FFAEMO O=C(CN1CC[N@H+]2CCC[C@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000246354003 510444757 /nfs/dbraw/zinc/44/47/57/510444757.db2.gz MSJBZKDUBHBUOQ-HNNXBMFYSA-N 1 1 360.458 2.668 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000190986625 510451274 /nfs/dbraw/zinc/45/12/74/510451274.db2.gz HMEAKRTUPGWSSZ-JKSUJKDBSA-N 1 1 362.522 2.608 10 0 FFAEMO O=C(C[C@H]1OC(=O)c2ccccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246389527 510460812 /nfs/dbraw/zinc/46/08/12/510460812.db2.gz PEJQWWWMMYVIFC-ZOCIIQOWSA-N 1 1 354.450 2.764 10 0 FFAEMO COc1cc(Br)ccc1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000181536128 510461577 /nfs/dbraw/zinc/46/15/77/510461577.db2.gz BBIOOZARELTOBQ-OAHLLOKOSA-N 1 1 369.303 2.943 10 0 FFAEMO CCOC(=O)C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1C ZINC000246389001 510462055 /nfs/dbraw/zinc/46/20/55/510462055.db2.gz SHVOAVXWCNIORI-GJYPPUQNSA-N 1 1 373.497 2.914 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[C@H](O)c1ccccc1 ZINC000246397570 510465516 /nfs/dbraw/zinc/46/55/16/510465516.db2.gz LJUGTWCAAZJHQX-AHRSYUTCSA-N 1 1 353.466 2.532 10 0 FFAEMO O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000194674939 510474479 /nfs/dbraw/zinc/47/44/79/510474479.db2.gz DYEVLKFKKVXWPU-UHFFFAOYSA-N 1 1 368.481 2.755 10 0 FFAEMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246411761 510475573 /nfs/dbraw/zinc/47/55/73/510475573.db2.gz BOVWPKXQEOVOKC-XOKHGSTOSA-N 1 1 358.417 2.531 10 0 FFAEMO CC[C@@H]1CN(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC[N@H+]1CCOC ZINC000246413076 510476561 /nfs/dbraw/zinc/47/65/61/510476561.db2.gz QSVCOZKNYLLZBY-KURKYZTESA-N 1 1 369.550 2.580 10 0 FFAEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246452374 510496699 /nfs/dbraw/zinc/49/66/99/510496699.db2.gz OMVKLHOVGAGHMW-UPJWGTAASA-N 1 1 372.435 2.770 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000246468246 510505556 /nfs/dbraw/zinc/50/55/56/510505556.db2.gz JJYJTSFFRCKSOX-CRAIPNDOSA-N 1 1 366.465 2.532 10 0 FFAEMO 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350.532 2.619 10 0 FFAEMO CC(C)n1ncc2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cc21 ZINC000181806560 510602946 /nfs/dbraw/zinc/60/29/46/510602946.db2.gz YKFNZPMJMUPHPJ-LSDHHAIUSA-N 1 1 359.474 2.536 10 0 FFAEMO COc1ccc(CCCCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000246656211 510604845 /nfs/dbraw/zinc/60/48/45/510604845.db2.gz GURHUSDXXLZRBN-MSOLQXFVSA-N 1 1 362.514 2.712 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000184968480 510608219 /nfs/dbraw/zinc/60/82/19/510608219.db2.gz WPORATWGBYQWGW-MJGOQNOKSA-N 1 1 361.530 2.841 10 0 FFAEMO COc1ccc(Br)c(CC(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000178450218 510609466 /nfs/dbraw/zinc/60/94/66/510609466.db2.gz IFCCAGRKAIMDMW-UHFFFAOYSA-N 1 1 367.287 2.697 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000175368214 510612844 /nfs/dbraw/zinc/61/28/44/510612844.db2.gz MCFKWRIVRFKSGM-CYBMUJFWSA-N 1 1 359.442 2.922 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2c(C)cccc2OC(F)F)CC1 ZINC000175370525 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370.497 2.900 10 0 FFAEMO COc1ccc(F)cc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190627755 510248698 /nfs/dbraw/zinc/24/86/98/510248698.db2.gz DKGUTSVCOUGJEU-INIZCTEOSA-N 1 1 357.429 2.823 10 0 FFAEMO C[C@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@@H]1C ZINC000246013028 510248950 /nfs/dbraw/zinc/24/89/50/510248950.db2.gz ISOZNKBTIKMMDX-STQMWFEESA-N 1 1 351.397 2.507 10 0 FFAEMO CC(C)COc1ccc(CC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000171610829 510251728 /nfs/dbraw/zinc/25/17/28/510251728.db2.gz WWNRWJSPDIZUBW-SFHVURJKSA-N 1 1 374.525 2.976 10 0 FFAEMO CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171642418 510268828 /nfs/dbraw/zinc/26/88/28/510268828.db2.gz HZGGORFFTRQPJB-MRXNPFEDSA-N 1 1 353.470 2.520 10 0 FFAEMO CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171642418 510268838 /nfs/dbraw/zinc/26/88/38/510268838.db2.gz HZGGORFFTRQPJB-MRXNPFEDSA-N 1 1 353.470 2.520 10 0 FFAEMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)NCC1(c2ccccc2)CC1 ZINC000171643286 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FFAEMO CSc1ccc(Cl)c(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1 ZINC000181357182 510370787 /nfs/dbraw/zinc/37/07/87/510370787.db2.gz YPMYUBIAOBYWLJ-HNNXBMFYSA-N 1 1 350.875 2.582 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[C@H](c2ccccc2)C(F)(F)F)cn1 ZINC000181362264 510374908 /nfs/dbraw/zinc/37/49/08/510374908.db2.gz QCPLQRJCAOEUOV-CVEARBPZSA-N 1 1 366.387 2.629 10 0 FFAEMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370064 510378125 /nfs/dbraw/zinc/37/81/25/510378125.db2.gz BJMIVIGBMCZHRY-QAPCUYQASA-N 1 1 369.868 2.597 10 0 FFAEMO CC(C)[N@H+]1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370064 510378128 /nfs/dbraw/zinc/37/81/28/510378128.db2.gz BJMIVIGBMCZHRY-QAPCUYQASA-N 1 1 369.868 2.597 10 0 FFAEMO O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000174908280 510379451 /nfs/dbraw/zinc/37/94/51/510379451.db2.gz WWFCCLGJUSVGBW-KRWDZBQOSA-N 1 1 359.861 2.897 10 0 FFAEMO CCCc1ccc(C(=O)CCC(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1 ZINC000181379436 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C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106075058 250229997 /nfs/dbraw/zinc/22/99/97/250229997.db2.gz MPDIUMAQKZOFGO-KRWDZBQOSA-N 1 1 357.433 2.545 10 0 FFAEMO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000106079367 250230238 /nfs/dbraw/zinc/23/02/38/250230238.db2.gz AFSZDOXHPZXFAB-KRWDZBQOSA-N 1 1 353.470 2.578 10 0 FFAEMO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106078591 250230394 /nfs/dbraw/zinc/23/03/94/250230394.db2.gz JDYIANRZPIYTGW-GOSISDBHSA-N 1 1 353.470 2.633 10 0 FFAEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C2 ZINC000106379026 250266940 /nfs/dbraw/zinc/26/69/40/250266940.db2.gz ZNIDKNGYBXIKAT-UHFFFAOYSA-N 1 1 369.469 2.640 10 0 FFAEMO COc1cc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000106427656 250270172 /nfs/dbraw/zinc/27/01/72/250270172.db2.gz IIHWZSMJPFHROO-MRXNPFEDSA-N 1 1 358.438 2.824 10 0 FFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)n1 ZINC000106181070 250251539 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COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000106206852 250254983 /nfs/dbraw/zinc/25/49/83/250254983.db2.gz SRFIAMXZWIKBOK-LJQANCHMSA-N 1 1 370.497 2.637 10 0 FFAEMO CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106206704 250256354 /nfs/dbraw/zinc/25/63/54/250256354.db2.gz IYHVMNMMZOTBTA-IBGZPJMESA-N 1 1 370.497 2.889 10 0 FFAEMO CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106206704 250256359 /nfs/dbraw/zinc/25/63/59/250256359.db2.gz IYHVMNMMZOTBTA-IBGZPJMESA-N 1 1 370.497 2.889 10 0 FFAEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)c1 ZINC000106222241 250259641 /nfs/dbraw/zinc/25/96/41/250259641.db2.gz TXPMCRVRHDVPTN-INIZCTEOSA-N 1 1 356.426 2.586 10 0 FFAEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NCCCOC3CCCCC3)C2)c1 ZINC000106220513 250260232 /nfs/dbraw/zinc/26/02/32/250260232.db2.gz KDDGUGYMIHKTHI-GOSISDBHSA-N 1 1 362.518 2.684 10 0 FFAEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NCCCOC3CCCCC3)C2)c1 ZINC000106220513 250260233 /nfs/dbraw/zinc/26/02/33/250260233.db2.gz KDDGUGYMIHKTHI-GOSISDBHSA-N 1 1 362.518 2.684 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)[C@@H](C)Oc3cccc(C=O)c3)CC2)[nH+]1 ZINC000116836676 250318750 /nfs/dbraw/zinc/31/87/50/250318750.db2.gz ZKLLVLIBSGYBHN-MRXNPFEDSA-N 1 1 367.449 2.755 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC[N@H+]1CCOC ZINC000117441094 250347099 /nfs/dbraw/zinc/34/70/99/250347099.db2.gz GRRLVIAOQZYOOA-SFHVURJKSA-N 1 1 374.485 2.610 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)CC2)[nH+]1 ZINC000117057462 250333405 /nfs/dbraw/zinc/33/34/05/250333405.db2.gz QYALYSCOAXMRHJ-MRXNPFEDSA-N 1 1 368.485 2.671 10 0 FFAEMO CCc1csc([C@H]2CCCN(C(=O)NCC[N@@H+](C)CCCOC)C2)n1 ZINC000173504634 251195287 /nfs/dbraw/zinc/19/52/87/251195287.db2.gz MBLXZUVRYWJYLV-HNNXBMFYSA-N 1 1 368.547 2.563 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2C)C1 ZINC000173572146 251209887 /nfs/dbraw/zinc/20/98/87/251209887.db2.gz BUMQJNNKOLLWBM-KRWDZBQOSA-N 1 1 364.453 2.812 10 0 FFAEMO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)[C@@H](C)C2 ZINC000186764671 251259085 /nfs/dbraw/zinc/25/90/85/251259085.db2.gz SOXFQWKJJBYXHF-JXFKEZNVSA-N 1 1 359.514 2.717 10 0 FFAEMO CC[N@@H+](C)[C@@H](C(=O)N1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000186762656 251260227 /nfs/dbraw/zinc/26/02/27/251260227.db2.gz DEVUPIYHGNMXTN-QGZVFWFLSA-N 1 1 371.485 2.535 10 0 FFAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000252692216 251314065 /nfs/dbraw/zinc/31/40/65/251314065.db2.gz TZPLLFUOLLSBGV-SJORKVTESA-N 1 1 361.534 2.505 10 0 FFAEMO C[N@H+]1CC[C@H](CNC(=O)N2CC[C@](C)(O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000251651679 251299104 /nfs/dbraw/zinc/29/91/04/251299104.db2.gz JIURLZUVZXWSMF-SKDZVZGDSA-N 1 1 369.868 2.638 10 0 FFAEMO Cc1nc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2)n[nH]1 ZINC000271431638 251791478 /nfs/dbraw/zinc/79/14/78/251791478.db2.gz QCDHANQJUXGERD-XJKSGUPXSA-N 1 1 354.458 2.789 10 0 FFAEMO Cc1cnc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cn1 ZINC000012438994 207376216 /nfs/dbraw/zinc/37/62/16/207376216.db2.gz DXLQUPMGTLOERU-QFIPXVFZSA-N 1 1 364.493 2.956 10 0 FFAEMO O=C(c1ccc(I)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000045745824 208338912 /nfs/dbraw/zinc/33/89/12/208338912.db2.gz WLPXLMYAASKQOI-AWEZNQCLSA-N 1 1 370.234 2.602 10 0 FFAEMO O=C(c1ccc(I)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000045745824 208338919 /nfs/dbraw/zinc/33/89/19/208338919.db2.gz WLPXLMYAASKQOI-AWEZNQCLSA-N 1 1 370.234 2.602 10 0 FFAEMO C[N@H+]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000065153632 221173874 /nfs/dbraw/zinc/17/38/74/221173874.db2.gz RJWFKHGACVCOSZ-UHFFFAOYSA-N 1 1 373.460 2.983 10 0 FFAEMO O=S(=O)(/C=C/c1ccccc1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301504906 258052875 /nfs/dbraw/zinc/05/28/75/258052875.db2.gz CIPIFMUMYRIKRZ-NTUHNPAUSA-N 1 1 363.870 2.858 10 0 FFAEMO CCC[C@H]1CN(c2nn3c(nccc3=O)s2)CC[N@H+]1Cc1ccccc1 ZINC000302004720 258081872 /nfs/dbraw/zinc/08/18/72/258081872.db2.gz KJUFGPOBADNJPE-INIZCTEOSA-N 1 1 369.494 2.642 10 0 FFAEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328989512 258126014 /nfs/dbraw/zinc/12/60/14/258126014.db2.gz CSWHWWKLTZIMFN-NCXUSEDFSA-N 1 1 374.529 2.611 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c(-c2ccn(C)n2)c1 ZINC000329086279 258128925 /nfs/dbraw/zinc/12/89/25/258128925.db2.gz GTCQOKHDGZPIRF-IRXDYDNUSA-N 1 1 368.481 2.795 10 0 FFAEMO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000329195211 258132093 /nfs/dbraw/zinc/13/20/93/258132093.db2.gz VEUBEUXGVHURRJ-TWJKGYNYSA-N 1 1 371.529 2.590 10 0 FFAEMO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000329195211 258132094 /nfs/dbraw/zinc/13/20/94/258132094.db2.gz VEUBEUXGVHURRJ-TWJKGYNYSA-N 1 1 371.529 2.590 10 0 FFAEMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(C[C@@H]3Oc4ccccc4NC3=O)n1)OC2 ZINC000329553326 258141665 /nfs/dbraw/zinc/14/16/65/258141665.db2.gz DGBAYESPZSYMJU-QMTMVMCOSA-N 1 1 370.409 2.587 10 0 FFAEMO C[C@]12CCC[N@H+]1C[C@H](c1noc(C[C@@H]3Oc4ccccc4NC3=O)n1)OC2 ZINC000329553326 258141666 /nfs/dbraw/zinc/14/16/66/258141666.db2.gz DGBAYESPZSYMJU-QMTMVMCOSA-N 1 1 370.409 2.587 10 0 FFAEMO Cc1nc([C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)no1 ZINC000329854547 258148690 /nfs/dbraw/zinc/14/86/90/258148690.db2.gz SSRQLEXPEZZGEO-IOHHAYIISA-N 1 1 366.425 2.938 10 0 FFAEMO Cc1nc([C@H](C)[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)no1 ZINC000329854547 258148691 /nfs/dbraw/zinc/14/86/91/258148691.db2.gz SSRQLEXPEZZGEO-IOHHAYIISA-N 1 1 366.425 2.938 10 0 FFAEMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000332732067 258241378 /nfs/dbraw/zinc/24/13/78/258241378.db2.gz MKCDAYYPZGDXAY-PXNSSMCTSA-N 1 1 371.525 2.984 10 0 FFAEMO CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCC[C@H](n3cccn3)C2)n1 ZINC000333236436 258257561 /nfs/dbraw/zinc/25/75/61/258257561.db2.gz HRGJBAPXUWTDOK-SCTDSRPQSA-N 1 1 370.501 2.552 10 0 FFAEMO C[N@H+]1CCC[C@@H]1Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000095936878 209086699 /nfs/dbraw/zinc/08/66/99/209086699.db2.gz 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GRPXYHJTNFMFDQ-HNNXBMFYSA-N 1 1 367.449 2.658 10 0 FFAEMO CC(C)C[C@H](C)NC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192264146 509433436 /nfs/dbraw/zinc/43/34/36/509433436.db2.gz XHMOHLOYHZZFOS-HNNXBMFYSA-N 1 1 355.523 2.869 10 0 FFAEMO CC(C)C[C@H](C)NC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192264146 509433443 /nfs/dbraw/zinc/43/34/43/509433443.db2.gz XHMOHLOYHZZFOS-HNNXBMFYSA-N 1 1 355.523 2.869 10 0 FFAEMO CC(C)[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000248686904 509434820 /nfs/dbraw/zinc/43/48/20/509434820.db2.gz HPZFBWYTXTVKNT-SESVDKBCSA-N 1 1 373.541 2.863 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C[C@@H]1CC ZINC000179468254 509460379 /nfs/dbraw/zinc/46/03/79/509460379.db2.gz ZASJLMMGOZGPBH-SFHVURJKSA-N 1 1 359.445 2.947 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cnc3ccc(F)cc3c2)C[C@@H]1CC ZINC000179468254 509460386 /nfs/dbraw/zinc/46/03/86/509460386.db2.gz ZASJLMMGOZGPBH-SFHVURJKSA-N 1 1 359.445 2.947 10 0 FFAEMO 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/nfs/dbraw/zinc/07/51/21/520075121.db2.gz MVMUHAKCTVVSBV-KRWDZBQOSA-N 1 1 350.459 2.983 10 0 FFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616662350 520085983 /nfs/dbraw/zinc/08/59/83/520085983.db2.gz ANLMFDJXVKTLKE-MRXNPFEDSA-N 1 1 372.469 2.570 10 0 FFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](c2cccc3ccnnc32)C1 ZINC000616662350 520085988 /nfs/dbraw/zinc/08/59/88/520085988.db2.gz ANLMFDJXVKTLKE-MRXNPFEDSA-N 1 1 372.469 2.570 10 0 FFAEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616680134 520088422 /nfs/dbraw/zinc/08/84/22/520088422.db2.gz NQQSCBLBRNVTSV-SFHVURJKSA-N 1 1 372.469 2.918 10 0 FFAEMO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616680134 520088427 /nfs/dbraw/zinc/08/84/27/520088427.db2.gz NQQSCBLBRNVTSV-SFHVURJKSA-N 1 1 372.469 2.918 10 0 FFAEMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000076942260 728269167 /nfs/dbraw/zinc/26/91/67/728269167.db2.gz JRFBWFPVCJZMRU-HZPDHXFCSA-N 1 1 353.507 2.624 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cccnc2SC(F)F)C[C@@H]1CC ZINC000116767315 728573616 /nfs/dbraw/zinc/57/36/16/728573616.db2.gz KVVOGYQYDZCPQB-ZDUSSCGKSA-N 1 1 373.469 2.969 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cccnc2SC(F)F)C[C@@H]1CC ZINC000116767315 728573618 /nfs/dbraw/zinc/57/36/18/728573618.db2.gz KVVOGYQYDZCPQB-ZDUSSCGKSA-N 1 1 373.469 2.969 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(-c3nc(C)cs3)c2)CC1 ZINC000121557148 728630665 /nfs/dbraw/zinc/63/06/65/728630665.db2.gz ZIWYCBWFFCKTCF-QGZVFWFLSA-N 1 1 359.495 2.647 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000126195517 728695533 /nfs/dbraw/zinc/69/55/33/728695533.db2.gz NVQHFMULSAWDFS-CABCVRRESA-N 1 1 364.877 2.571 10 0 FFAEMO CCOC(=O)C[NH+]1CCC(COC(=O)Cc2ccccc2Cl)CC1 ZINC000172547514 729028242 /nfs/dbraw/zinc/02/82/42/729028242.db2.gz MBIYGOZMQBFTAP-UHFFFAOYSA-N 1 1 353.846 2.701 10 0 FFAEMO Fc1ccc(-c2cn(CN3CC[C@H]([NH+]4CCOCC4)C3)c(=S)o2)cc1 ZINC000172961209 729037249 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FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)C3(c4ccccc4C)CC3)CC2)cn1 ZINC000109662976 507977091 /nfs/dbraw/zinc/97/70/91/507977091.db2.gz JGZYANVKNJRFIX-UHFFFAOYSA-N 1 1 366.509 2.978 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)C3(c4ccccc4C)CC3)CC2)cn1 ZINC000109662976 507977093 /nfs/dbraw/zinc/97/70/93/507977093.db2.gz JGZYANVKNJRFIX-UHFFFAOYSA-N 1 1 366.509 2.978 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000109663504 507977389 /nfs/dbraw/zinc/97/73/89/507977389.db2.gz HBRZCGFUOSWQEL-UHFFFAOYSA-N 1 1 356.470 2.650 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)cn1 ZINC000109663504 507977392 /nfs/dbraw/zinc/97/73/92/507977392.db2.gz HBRZCGFUOSWQEL-UHFFFAOYSA-N 1 1 356.470 2.650 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)COc3ccc(F)cc3)CC2)cn1 ZINC000109663995 507977969 /nfs/dbraw/zinc/97/79/69/507977969.db2.gz IMEVMJKPPVFBKH-UHFFFAOYSA-N 1 1 374.460 2.546 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)COc3ccc(F)cc3)CC2)cn1 ZINC000109663995 507977972 /nfs/dbraw/zinc/97/79/72/507977972.db2.gz IMEVMJKPPVFBKH-UHFFFAOYSA-N 1 1 374.460 2.546 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3c(C)noc3C)CC2)cn1 ZINC000109664825 507978140 /nfs/dbraw/zinc/97/81/40/507978140.db2.gz WWYRUOCTLCAGKM-UHFFFAOYSA-N 1 1 373.501 2.565 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3c(C)noc3C)CC2)cn1 ZINC000109664825 507978141 /nfs/dbraw/zinc/97/81/41/507978141.db2.gz WWYRUOCTLCAGKM-UHFFFAOYSA-N 1 1 373.501 2.565 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)COC3CCCCC3)CC2)cn1 ZINC000109664898 507978467 /nfs/dbraw/zinc/97/84/67/507978467.db2.gz FOIDQBUNGJYRAV-UHFFFAOYSA-N 1 1 362.518 2.677 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)COC3CCCCC3)CC2)cn1 ZINC000109664898 507978468 /nfs/dbraw/zinc/97/84/68/507978468.db2.gz FOIDQBUNGJYRAV-UHFFFAOYSA-N 1 1 362.518 2.677 10 0 FFAEMO C[C@@H](Cc1cccs1)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079613555 507982827 /nfs/dbraw/zinc/98/28/27/507982827.db2.gz GAVKADGFSWQIBR-GJZGRUSLSA-N 1 1 351.516 2.574 10 0 FFAEMO CCc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755043 507984580 /nfs/dbraw/zinc/98/45/80/507984580.db2.gz RYOGGGSPEDSFFI-FQEVSTJZSA-N 1 1 372.557 2.598 10 0 FFAEMO CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000109789694 507987391 /nfs/dbraw/zinc/98/73/91/507987391.db2.gz IKLWWCZLKJEDPW-UHFFFAOYSA-N 1 1 367.896 2.855 10 0 FFAEMO Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](c3nncn3C(C)C)C2)n1 ZINC000091483969 507989159 /nfs/dbraw/zinc/98/91/59/507989159.db2.gz NMCIQJIFDBDIEZ-OAHLLOKOSA-N 1 1 352.446 2.527 10 0 FFAEMO CCn1c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)nc2cc(F)ccc21 ZINC000109820720 507990299 /nfs/dbraw/zinc/99/02/99/507990299.db2.gz GPZBSBKTDDIUNO-KRWDZBQOSA-N 1 1 360.477 2.882 10 0 FFAEMO CCn1c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)nc2cc(F)ccc21 ZINC000109820720 507990300 /nfs/dbraw/zinc/99/03/00/507990300.db2.gz GPZBSBKTDDIUNO-KRWDZBQOSA-N 1 1 360.477 2.882 10 0 FFAEMO CCn1c(CN2CCCC[C@H]2C[NH+]2CCOCC2)nc2cc(F)ccc21 ZINC000109820720 507990301 /nfs/dbraw/zinc/99/03/01/507990301.db2.gz GPZBSBKTDDIUNO-KRWDZBQOSA-N 1 1 360.477 2.882 10 0 FFAEMO COc1cccc(CS(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000109843798 507991712 /nfs/dbraw/zinc/99/17/12/507991712.db2.gz KIHCYMLAJMAOCT-CALCHBBNSA-N 1 1 368.543 2.873 10 0 FFAEMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000109861850 507992836 /nfs/dbraw/zinc/99/28/36/507992836.db2.gz HCTGMHPFAGIPPN-AEFFLSMTSA-N 1 1 353.470 2.622 10 0 FFAEMO COC(C)(C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000074301675 508008158 /nfs/dbraw/zinc/00/81/58/508008158.db2.gz VBUYTNGSDCMAHP-RYRKJORJSA-N 1 1 362.518 2.795 10 0 FFAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)N[C@@H](c3ccccc3)C3CC3)C2)CC1 ZINC000091845003 508018214 /nfs/dbraw/zinc/01/82/14/508018214.db2.gz XRWVHWFHECRDKJ-SFTDATJTSA-N 1 1 370.541 2.949 10 0 FFAEMO Cc1nn(C)c(C)c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110383657 508025478 /nfs/dbraw/zinc/02/54/78/508025478.db2.gz JOTFNCKDHGNSTK-IHWFROFDSA-N 1 1 366.509 2.891 10 0 FFAEMO COc1ccc(-c2n[nH]cc2CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092091098 508041900 /nfs/dbraw/zinc/04/19/00/508041900.db2.gz CMFVIWLLZYOHTB-MRXNPFEDSA-N 1 1 370.497 2.770 10 0 FFAEMO COc1ccc(-c2n[nH]cc2CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092091098 508041903 /nfs/dbraw/zinc/04/19/03/508041903.db2.gz CMFVIWLLZYOHTB-MRXNPFEDSA-N 1 1 370.497 2.770 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1cc(F)ccc1F ZINC000080330894 508066025 /nfs/dbraw/zinc/06/60/25/508066025.db2.gz MKKCOGBWIWUKFH-LIRRHRJNSA-N 1 1 359.420 2.929 10 0 FFAEMO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000092601958 508085934 /nfs/dbraw/zinc/08/59/34/508085934.db2.gz OGSWOALHDVUXSP-FUHWJXTLSA-N 1 1 370.497 2.931 10 0 FFAEMO CN1C(=O)CC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000080718735 508097670 /nfs/dbraw/zinc/09/76/70/508097670.db2.gz SGUILCKYOVMHON-GYDKDSOHSA-N 1 1 369.509 2.728 10 0 FFAEMO Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000111613452 508110782 /nfs/dbraw/zinc/11/07/82/508110782.db2.gz RTVUAUGHMQHFHK-XLIONFOSSA-N 1 1 352.482 2.802 10 0 FFAEMO Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000111613452 508110785 /nfs/dbraw/zinc/11/07/85/508110785.db2.gz RTVUAUGHMQHFHK-XLIONFOSSA-N 1 1 352.482 2.802 10 0 FFAEMO CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000112743103 508218651 /nfs/dbraw/zinc/21/86/51/508218651.db2.gz MNBDUWOWSOYRFK-HOTGVXAUSA-N 1 1 361.534 2.732 10 0 FFAEMO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144137 508237688 /nfs/dbraw/zinc/23/76/88/508237688.db2.gz GDFIOOWTJFAAFQ-UZLBHIALSA-N 1 1 368.477 2.528 10 0 FFAEMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCCO2 ZINC000098144137 508237689 /nfs/dbraw/zinc/23/76/89/508237689.db2.gz GDFIOOWTJFAAFQ-UZLBHIALSA-N 1 1 368.477 2.528 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Br)cnc1Cl ZINC000083550392 508247584 /nfs/dbraw/zinc/24/75/84/508247584.db2.gz GKKGUUJFHLQUTQ-MWLCHTKSSA-N 1 1 358.667 2.806 10 0 FFAEMO COc1cc(C(C)=O)ccc1OCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113224297 508252369 /nfs/dbraw/zinc/25/23/69/508252369.db2.gz FKLNIOCZIVTLMK-MAUKXSAKSA-N 1 1 374.481 2.752 10 0 FFAEMO Cc1cc(-c2noc(CCC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2)ccc1F ZINC000113228459 508253027 /nfs/dbraw/zinc/25/30/27/508253027.db2.gz IABPAMHVQULNON-GOEBONIOSA-N 1 1 372.444 2.812 10 0 FFAEMO Cc1ccc(-c2noc(CCC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2)cc1F ZINC000113228456 508253070 /nfs/dbraw/zinc/25/30/70/508253070.db2.gz GISSWZDZAAFGAL-GOEBONIOSA-N 1 1 372.444 2.812 10 0 FFAEMO CC(C)CCOc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000101671009 508253580 /nfs/dbraw/zinc/25/35/80/508253580.db2.gz VBWLVKNALVKZCQ-ZWKOTPCHSA-N 1 1 361.530 2.925 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1ccc(Br)cc1 ZINC000113267967 508255988 /nfs/dbraw/zinc/25/59/88/508255988.db2.gz OUXBIGXHFQUMGS-XJKSGUPXSA-N 1 1 366.303 2.946 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000113269399 508256376 /nfs/dbraw/zinc/25/63/76/508256376.db2.gz CQBCIKHHGXTXLL-ZIAGYGMSSA-N 1 1 353.869 2.606 10 0 FFAEMO COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113271171 508256766 /nfs/dbraw/zinc/25/67/66/508256766.db2.gz RYYNSVFBXGBJNB-UONOGXRCSA-N 1 1 351.878 2.764 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000113271379 508256819 /nfs/dbraw/zinc/25/68/19/508256819.db2.gz PPYGCTSDSZYWNP-CXAGYDPISA-N 1 1 356.495 2.578 10 0 FFAEMO COc1cc(C=O)ccc1OCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000113782636 508282187 /nfs/dbraw/zinc/28/21/87/508282187.db2.gz AGGJEGDAUHUUCY-UHFFFAOYSA-N 1 1 354.450 2.834 10 0 FFAEMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104650544 508340481 /nfs/dbraw/zinc/34/04/81/508340481.db2.gz ACUFVQMZQWUTGG-MRXNPFEDSA-N 1 1 369.465 2.521 10 0 FFAEMO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000114719804 508341898 /nfs/dbraw/zinc/34/18/98/508341898.db2.gz WOZAKUYCKJGJAZ-CVEARBPZSA-N 1 1 358.486 2.822 10 0 FFAEMO CCOc1ccc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc1OCC ZINC000114803620 508349003 /nfs/dbraw/zinc/34/90/03/508349003.db2.gz IBWAIJOJHHSBIS-UHFFFAOYSA-N 1 1 374.485 2.883 10 0 FFAEMO COc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000104962706 508354891 /nfs/dbraw/zinc/35/48/91/508354891.db2.gz OPXSCSMBSDUEPW-HNNXBMFYSA-N 1 1 355.438 2.906 10 0 FFAEMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCN(C3CC3)CC2)C1 ZINC000105113432 508361719 /nfs/dbraw/zinc/36/17/19/508361719.db2.gz RWESTELXQSEJRT-SFHVURJKSA-N 1 1 370.541 2.908 10 0 FFAEMO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000105112558 508361856 /nfs/dbraw/zinc/36/18/56/508361856.db2.gz JTVKQIKJOJIQPP-OAQYLSRUSA-N 1 1 370.541 2.839 10 0 FFAEMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C ZINC000106099529 508393118 /nfs/dbraw/zinc/39/31/18/508393118.db2.gz AVTNKLCWLKSRPU-QZTJIDSGSA-N 1 1 367.493 2.826 10 0 FFAEMO COCC[N@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000106108276 508393710 /nfs/dbraw/zinc/39/37/10/508393710.db2.gz WIHLALIRNQRGAT-CYBMUJFWSA-N 1 1 374.312 2.975 10 0 FFAEMO COCCN1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000106108276 508393713 /nfs/dbraw/zinc/39/37/13/508393713.db2.gz WIHLALIRNQRGAT-CYBMUJFWSA-N 1 1 374.312 2.975 10 0 FFAEMO COCCN1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@H]1C ZINC000106108276 508393715 /nfs/dbraw/zinc/39/37/15/508393715.db2.gz WIHLALIRNQRGAT-CYBMUJFWSA-N 1 1 374.312 2.975 10 0 FFAEMO CC[C@H]1CN(Cc2nc(-c3ccc(Cl)cc3)no2)CC[N@H+]1C[C@@H](C)O ZINC000106103843 508393994 /nfs/dbraw/zinc/39/39/94/508393994.db2.gz HBBIGYXSAIQJGX-CJNGLKHVSA-N 1 1 364.877 2.667 10 0 FFAEMO CCC[C@H](NC(=O)CN1CC[N@H+](CCOCC)[C@H](C)C1)c1ccccc1 ZINC000106111595 508394930 /nfs/dbraw/zinc/39/49/30/508394930.db2.gz OSVSTHIXIDCHHP-QUCCMNQESA-N 1 1 361.530 2.687 10 0 FFAEMO CCC[C@H](NC(=O)CN1CC[N@@H+](CCOCC)[C@H](C)C1)c1ccccc1 ZINC000106111595 508394933 /nfs/dbraw/zinc/39/49/33/508394933.db2.gz OSVSTHIXIDCHHP-QUCCMNQESA-N 1 1 361.530 2.687 10 0 FFAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)NCC2CCCCC2)C[C@@H]1CC ZINC000106119588 508395759 /nfs/dbraw/zinc/39/57/59/508395759.db2.gz QGQAFUZUPPYVLG-HKUYNNGSSA-N 1 1 353.551 2.504 10 0 FFAEMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH+]2CCC(Cn3cccn3)CC2)c1C ZINC000106183826 508397306 /nfs/dbraw/zinc/39/73/06/508397306.db2.gz HTPIWLCZKMBSHX-UHFFFAOYSA-N 1 1 372.469 2.600 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)C[C@H]1C ZINC000152320811 508423340 /nfs/dbraw/zinc/42/33/40/508423340.db2.gz LDLKARYYTSSKRN-CQSZACIVSA-N 1 1 365.449 2.799 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)C[C@H]1C ZINC000152320811 508423344 /nfs/dbraw/zinc/42/33/44/508423344.db2.gz LDLKARYYTSSKRN-CQSZACIVSA-N 1 1 365.449 2.799 10 0 FFAEMO CC[C@H](OC1CCCCC1)C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000133624996 508425679 /nfs/dbraw/zinc/42/56/79/508425679.db2.gz KMXKFDKRDKMQEX-ICSRJNTNSA-N 1 1 365.562 2.743 10 0 FFAEMO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)[C@H](C)C1 ZINC000127304327 508429456 /nfs/dbraw/zinc/42/94/56/508429456.db2.gz WSLITAMSDIJMMB-UKPHBRMFSA-N 1 1 361.511 2.678 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2cnc3ccccc3n2)CC1 ZINC000121910588 508446189 /nfs/dbraw/zinc/44/61/89/508446189.db2.gz QZKAOGKOXBLMCQ-VOTSOKGWSA-N 1 1 361.449 2.858 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000134048756 508485848 /nfs/dbraw/zinc/48/58/48/508485848.db2.gz FHYVNAUYZMOZAC-HZPDHXFCSA-N 1 1 371.489 2.616 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccccc1F ZINC000116253127 508492714 /nfs/dbraw/zinc/49/27/14/508492714.db2.gz WQNWEAYPDIEJBL-YJBOKZPZSA-N 1 1 357.429 2.626 10 0 FFAEMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000116311739 508498172 /nfs/dbraw/zinc/49/81/72/508498172.db2.gz SDSBYCXALRKECC-LPHOPBHVSA-N 1 1 357.498 2.947 10 0 FFAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)C(=O)NC[C@@H]1CCCO1 ZINC000152753545 508508937 /nfs/dbraw/zinc/50/89/37/508508937.db2.gz DPCNMMWVRQJQAT-AVGNSLFASA-N 1 1 355.276 2.783 10 0 FFAEMO COc1cccc(OC)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116467445 508518630 /nfs/dbraw/zinc/51/86/30/508518630.db2.gz PDNABPIIPVQNFK-RDJZCZTQSA-N 1 1 369.465 2.739 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1ccsc1 ZINC000116530639 508525305 /nfs/dbraw/zinc/52/53/05/508525305.db2.gz CHHXQZDJBHWHMD-YJBOKZPZSA-N 1 1 358.511 2.895 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)CSc2ccc(OC)cc2)C[C@H]1CC ZINC000116767441 508557313 /nfs/dbraw/zinc/55/73/13/508557313.db2.gz XWPCYYTZKSPHSK-MRXNPFEDSA-N 1 1 366.527 2.747 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)CSc2ccc(OC)cc2)C[C@H]1CC ZINC000116767441 508557315 /nfs/dbraw/zinc/55/73/15/508557315.db2.gz XWPCYYTZKSPHSK-MRXNPFEDSA-N 1 1 366.527 2.747 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C[C@@H]1CC ZINC000116769193 508558127 /nfs/dbraw/zinc/55/81/27/508558127.db2.gz IEJUFNPBEBHCAS-IBGZPJMESA-N 1 1 370.497 2.754 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C[C@@H]1CC ZINC000116769193 508558129 /nfs/dbraw/zinc/55/81/29/508558129.db2.gz IEJUFNPBEBHCAS-IBGZPJMESA-N 1 1 370.497 2.754 10 0 FFAEMO COc1ccccc1CCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000122711942 508576649 /nfs/dbraw/zinc/57/66/49/508576649.db2.gz XCHQKGSZZYDFDN-UHFFFAOYSA-N 1 1 356.470 2.636 10 0 FFAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)CCO1 ZINC000135039252 508582509 /nfs/dbraw/zinc/58/25/09/508582509.db2.gz JTAMDQHTUHCGQN-CYBMUJFWSA-N 1 1 354.853 2.733 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)C[C@@H]1C ZINC000117288427 508589488 /nfs/dbraw/zinc/58/94/88/508589488.db2.gz SHTJYUDLRJXHHH-AWEZNQCLSA-N 1 1 356.413 2.698 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)C[C@@H]1C ZINC000117288427 508589493 /nfs/dbraw/zinc/58/94/93/508589493.db2.gz SHTJYUDLRJXHHH-AWEZNQCLSA-N 1 1 356.413 2.698 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC[N@@H+]1CCOC ZINC000117303703 508591742 /nfs/dbraw/zinc/59/17/42/508591742.db2.gz RSZQYZKNBCBCGF-KRWDZBQOSA-N 1 1 374.460 2.503 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cnn(-c3ccc(F)cc3)c2C)CC[N@H+]1CCOC ZINC000117303703 508591746 /nfs/dbraw/zinc/59/17/46/508591746.db2.gz RSZQYZKNBCBCGF-KRWDZBQOSA-N 1 1 374.460 2.503 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@@H+]1CCOC ZINC000117309284 508591749 /nfs/dbraw/zinc/59/17/49/508591749.db2.gz VEKKGCAYNYOQPG-OAHLLOKOSA-N 1 1 373.266 2.771 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)CC[N@H+]1CCOC ZINC000117309284 508591755 /nfs/dbraw/zinc/59/17/55/508591755.db2.gz VEKKGCAYNYOQPG-OAHLLOKOSA-N 1 1 373.266 2.771 10 0 FFAEMO CCOCC[N@H+]1CCN(c2cnc3cc(F)c(F)cc3n2)C[C@@H]1CC ZINC000122843314 508594851 /nfs/dbraw/zinc/59/48/51/508594851.db2.gz UIQAHUFTQZHYPD-ZDUSSCGKSA-N 1 1 350.413 2.845 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000117434300 508597755 /nfs/dbraw/zinc/59/77/55/508597755.db2.gz RWVOBRMGYRKREX-CYBMUJFWSA-N 1 1 355.866 2.923 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000117434300 508597759 /nfs/dbraw/zinc/59/77/59/508597759.db2.gz RWVOBRMGYRKREX-CYBMUJFWSA-N 1 1 355.866 2.923 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2ccc(OC)c(Cl)c2)CC[N@H+]1CCOC ZINC000117436177 508597780 /nfs/dbraw/zinc/59/77/80/508597780.db2.gz YRUITHPAOJXVJT-AWEZNQCLSA-N 1 1 355.866 2.923 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1C ZINC000117440724 508598017 /nfs/dbraw/zinc/59/80/17/508598017.db2.gz LGUYAFRGWIHQLB-CQSZACIVSA-N 1 1 362.474 2.528 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@H]1C ZINC000117440724 508598022 /nfs/dbraw/zinc/59/80/22/508598022.db2.gz LGUYAFRGWIHQLB-CQSZACIVSA-N 1 1 362.474 2.528 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)C[C@@H]1C ZINC000117441100 508598086 /nfs/dbraw/zinc/59/80/86/508598086.db2.gz BKKGADLXYXXPIR-HNNXBMFYSA-N 1 1 374.485 2.610 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)C[C@@H]1C ZINC000117441100 508598091 /nfs/dbraw/zinc/59/80/91/508598091.db2.gz BKKGADLXYXXPIR-HNNXBMFYSA-N 1 1 374.485 2.610 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000117435010 508598413 /nfs/dbraw/zinc/59/84/13/508598413.db2.gz LEYIJVWJIUSCCY-LLVKDONJSA-N 1 1 374.254 2.773 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000117435010 508598416 /nfs/dbraw/zinc/59/84/16/508598416.db2.gz LEYIJVWJIUSCCY-LLVKDONJSA-N 1 1 374.254 2.773 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3cnn(CC)c3c2)C[C@H]1C ZINC000117451260 508599877 /nfs/dbraw/zinc/59/98/77/508599877.db2.gz CIXMEDNHDWADRW-OAHLLOKOSA-N 1 1 359.474 2.631 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc3cnn(CC)c3c2)C[C@H]1C ZINC000117451260 508599882 /nfs/dbraw/zinc/59/98/82/508599882.db2.gz CIXMEDNHDWADRW-OAHLLOKOSA-N 1 1 359.474 2.631 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1C ZINC000117457473 508600448 /nfs/dbraw/zinc/60/04/48/508600448.db2.gz FPYQIVHORNRNFU-LLVKDONJSA-N 1 1 374.254 2.773 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)C[C@H]1C ZINC000117457473 508600451 /nfs/dbraw/zinc/60/04/51/508600451.db2.gz FPYQIVHORNRNFU-LLVKDONJSA-N 1 1 374.254 2.773 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCc2cc(Cl)ccc2OC)CC[N@H+]1CCOC ZINC000117481381 508601630 /nfs/dbraw/zinc/60/16/30/508601630.db2.gz OCPRGYAJRRPGAI-MRXNPFEDSA-N 1 1 369.893 2.601 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000157805487 508614676 /nfs/dbraw/zinc/61/46/76/508614676.db2.gz HENZVXPKHQTXMO-KRWDZBQOSA-N 1 1 370.453 2.531 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3oc(CC)nc3c2)C[C@@H]1C ZINC000118045522 508629763 /nfs/dbraw/zinc/62/97/63/508629763.db2.gz WGYGOLFPKMTHAF-AWEZNQCLSA-N 1 1 360.458 2.965 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc3oc(CC)nc3c2)C[C@@H]1C ZINC000118045522 508629768 /nfs/dbraw/zinc/62/97/68/508629768.db2.gz WGYGOLFPKMTHAF-AWEZNQCLSA-N 1 1 360.458 2.965 10 0 FFAEMO CC[C@@H]1CN(CCOc2ccc3c(C)cc(=O)oc3c2)CC[N@H+]1CCOC ZINC000157952861 508637710 /nfs/dbraw/zinc/63/77/10/508637710.db2.gz VWQIFBFKSCWBSU-QGZVFWFLSA-N 1 1 374.481 2.523 10 0 FFAEMO CC[C@@H]1C[N@H+](CCOc2ccc3c(C)cc(=O)oc3c2)CCN1CCOC ZINC000157952861 508637713 /nfs/dbraw/zinc/63/77/13/508637713.db2.gz VWQIFBFKSCWBSU-QGZVFWFLSA-N 1 1 374.481 2.523 10 0 FFAEMO CC[C@@H]1C[N@@H+](CCOc2ccc3c(C)cc(=O)oc3c2)CCN1CCOC ZINC000157952861 508637717 /nfs/dbraw/zinc/63/77/17/508637717.db2.gz VWQIFBFKSCWBSU-QGZVFWFLSA-N 1 1 374.481 2.523 10 0 FFAEMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1C(=O)N(C)C ZINC000128879511 508655076 /nfs/dbraw/zinc/65/50/76/508655076.db2.gz CSPQIRBAUPGUQG-QGZVFWFLSA-N 1 1 360.502 2.939 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000153847798 508661525 /nfs/dbraw/zinc/66/15/25/508661525.db2.gz YPHGIOYNEXDSQD-UKRRQHHQSA-N 1 1 350.532 2.861 10 0 FFAEMO COc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1OCc1cccnc1 ZINC000153908239 508674479 /nfs/dbraw/zinc/67/44/79/508674479.db2.gz CDCWPFMFPXZAQQ-IBGZPJMESA-N 1 1 369.465 2.770 10 0 FFAEMO COc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1OCc1cccnc1 ZINC000153908239 508674484 /nfs/dbraw/zinc/67/44/84/508674484.db2.gz CDCWPFMFPXZAQQ-IBGZPJMESA-N 1 1 369.465 2.770 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000118857133 508686269 /nfs/dbraw/zinc/68/62/69/508686269.db2.gz VUBMTBWJWLAANE-RTWAWAEBSA-N 1 1 367.493 2.755 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000153968389 508688958 /nfs/dbraw/zinc/68/89/58/508688958.db2.gz PTFUUBMQIPEQDJ-QGZVFWFLSA-N 1 1 370.453 2.517 10 0 FFAEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000129165424 508693005 /nfs/dbraw/zinc/69/30/05/508693005.db2.gz TZPLLFUOLLSBGV-IAGOWNOFSA-N 1 1 361.534 2.505 10 0 FFAEMO CC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccc(F)cc1 ZINC000123550965 508704350 /nfs/dbraw/zinc/70/43/50/508704350.db2.gz LZTWMISYCWCQKO-LJQANCHMSA-N 1 1 358.461 2.787 10 0 FFAEMO CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccc(F)cc1 ZINC000123550965 508704356 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369.465 2.793 10 0 FFAEMO CC(C)COc1ccccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177778413 510249399 /nfs/dbraw/zinc/24/93/99/510249399.db2.gz XEHXMYDIUPTCOP-AEFFLSMTSA-N 1 1 361.486 2.906 10 0 FFAEMO CC(C)c1noc(CCC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190628961 510249438 /nfs/dbraw/zinc/24/94/38/510249438.db2.gz QHFKMDGGTNEKHY-QGZVFWFLSA-N 1 1 371.485 2.501 10 0 FFAEMO CCCOc1ccc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000177785520 510252338 /nfs/dbraw/zinc/25/23/38/510252338.db2.gz SGMGILISTYXJKO-VQIMIIECSA-N 1 1 361.486 2.968 10 0 FFAEMO COc1cc(OC)cc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190638098 510252989 /nfs/dbraw/zinc/25/29/89/510252989.db2.gz RDRNPRQCXUMSIW-KRWDZBQOSA-N 1 1 369.465 2.693 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccn3ccnc3c2)C1 ZINC000177792876 510254921 /nfs/dbraw/zinc/25/49/21/510254921.db2.gz ZSGXRBJYWABTKN-MRXNPFEDSA-N 1 1 352.442 2.640 10 0 FFAEMO COCCC1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000190656822 510266355 /nfs/dbraw/zinc/26/63/55/510266355.db2.gz TWHBWGNTBWRMDY-IBGZPJMESA-N 1 1 359.514 2.959 10 0 FFAEMO CN(C)C(=O)CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000174729359 510274575 /nfs/dbraw/zinc/27/45/75/510274575.db2.gz UJIKLTRJRCVCEV-UHFFFAOYSA-N 1 1 372.296 2.552 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC000246081141 510279911 /nfs/dbraw/zinc/27/99/11/510279911.db2.gz FGWHHJBHLABQPQ-CRAIPNDOSA-N 1 1 363.527 2.613 10 0 FFAEMO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000171650489 510280010 /nfs/dbraw/zinc/28/00/10/510280010.db2.gz KZBOSPJTRHWKAO-RTBURBONSA-N 1 1 355.482 2.872 10 0 FFAEMO CCOCC[N@H+]1CCN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1CC ZINC000174737698 510280217 /nfs/dbraw/zinc/28/02/17/510280217.db2.gz FDFNXEWTHBPOAN-GOSISDBHSA-N 1 1 374.529 2.645 10 0 FFAEMO Cc1cc(C)c(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c(C)c1 ZINC000171664132 510292784 /nfs/dbraw/zinc/29/27/84/510292784.db2.gz GXYRQDKKMFBERX-LJQANCHMSA-N 1 1 367.493 2.839 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCSCC2)C1 ZINC000190704447 510294945 /nfs/dbraw/zinc/29/49/45/510294945.db2.gz NFWQZCWDUWZJAK-AWEZNQCLSA-N 1 1 368.572 2.810 10 0 FFAEMO C[C@@H]1CN(C(=O)N[C@H]2CCc3c2cccc3Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246106679 510296996 /nfs/dbraw/zinc/29/69/96/510296996.db2.gz JCKHOMXNFMAEET-JEBQAFNWSA-N 1 1 363.889 2.689 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000177868370 510299181 /nfs/dbraw/zinc/29/91/81/510299181.db2.gz JSNOQHYBMUCBIO-CQSZACIVSA-N 1 1 370.428 2.947 10 0 FFAEMO CSCCCCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190714907 510302157 /nfs/dbraw/zinc/30/21/57/510302157.db2.gz ULVUKXBBXMTFPY-QGZVFWFLSA-N 1 1 350.532 2.688 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c(Br)n1 ZINC000181221770 510307802 /nfs/dbraw/zinc/30/78/02/510307802.db2.gz DNKOEJBGMSMHJR-NWDGAFQWSA-N 1 1 368.275 2.552 10 0 FFAEMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000174784734 510310453 /nfs/dbraw/zinc/31/04/53/510310453.db2.gz WBSUJHOKPUDSGO-QGZVFWFLSA-N 1 1 371.485 2.644 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000190726374 510310698 /nfs/dbraw/zinc/31/06/98/510310698.db2.gz RTVZHVSYSYXTKC-HKUYNNGSSA-N 1 1 362.543 2.831 10 0 FFAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccccc1Br ZINC000246140319 510317151 /nfs/dbraw/zinc/31/71/51/510317151.db2.gz DSJYEBBAPLLPMI-ZDUSSCGKSA-N 1 1 352.276 2.558 10 0 FFAEMO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)n1 ZINC000246145702 510319597 /nfs/dbraw/zinc/31/95/97/510319597.db2.gz DFMXDNXUYWYPMS-AZUAARDMSA-N 1 1 356.470 2.748 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000246152825 510323395 /nfs/dbraw/zinc/32/33/95/510323395.db2.gz KHQJBDUAQAMGTH-MNOVXSKESA-N 1 1 362.421 2.930 10 0 FFAEMO COc1ccc(C[C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1OC ZINC000171748805 510345511 /nfs/dbraw/zinc/34/55/11/510345511.db2.gz IKNMKHGBQUQUJL-NVXWUHKLSA-N 1 1 361.486 2.515 10 0 FFAEMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)s1 ZINC000246198529 510355120 /nfs/dbraw/zinc/35/51/20/510355120.db2.gz LRWNNSKOGIBICC-GDBMZVCRSA-N 1 1 363.531 2.668 10 0 FFAEMO C[C@H]1C[C@H](NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)C[C@@H](C)C1 ZINC000246206377 510362363 /nfs/dbraw/zinc/36/23/63/510362363.db2.gz MELHODYFFNTDLJ-MANSERQUSA-N 1 1 350.551 2.623 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000246206713 510362378 /nfs/dbraw/zinc/36/23/78/510362378.db2.gz YSQPKMXWKWHNMB-HLLBOEOZSA-N 1 1 373.476 2.882 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000246206713 510362381 /nfs/dbraw/zinc/36/23/81/510362381.db2.gz YSQPKMXWKWHNMB-HLLBOEOZSA-N 1 1 373.476 2.882 10 0 FFAEMO Cn1cc([C@H]2CC[N@H+](Cc3cn(-c4ccc(F)c(Cl)c4)nn3)C2)cn1 ZINC000181346441 510368115 /nfs/dbraw/zinc/36/81/15/510368115.db2.gz NBSTZUCHKDVJGM-LBPRGKRZSA-N 1 1 360.824 2.783 10 0 FFAEMO Cn1cc([C@H]2CC[N@@H+](Cc3cn(-c4ccc(F)c(Cl)c4)nn3)C2)cn1 ZINC000181346441 510368120 /nfs/dbraw/zinc/36/81/20/510368120.db2.gz NBSTZUCHKDVJGM-LBPRGKRZSA-N 1 1 360.824 2.783 10 0 FFAEMO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000181357908 510373050 /nfs/dbraw/zinc/37/30/50/510373050.db2.gz JBAINYBNZOGQNU-SFHVURJKSA-N 1 1 371.485 2.893 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000181438370 510409148 /nfs/dbraw/zinc/40/91/48/510409148.db2.gz RVRXNUANDZVZGD-CQSZACIVSA-N 1 1 372.778 2.879 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cn1 ZINC000171862329 510416063 /nfs/dbraw/zinc/41/60/63/510416063.db2.gz MMRNSNLHLGUVNE-UHFFFAOYSA-N 1 1 369.469 2.578 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCO4)CC2)cn1 ZINC000171862329 510416069 /nfs/dbraw/zinc/41/60/69/510416069.db2.gz MMRNSNLHLGUVNE-UHFFFAOYSA-N 1 1 369.469 2.578 10 0 FFAEMO O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178095819 510432015 /nfs/dbraw/zinc/43/20/15/510432015.db2.gz HDGAAXGNTDMPBR-MRXNPFEDSA-N 1 1 358.486 2.511 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000246336193 510432841 /nfs/dbraw/zinc/43/28/41/510432841.db2.gz OQRVEQLJJMRUFI-UAGQMJEPSA-N 1 1 359.470 2.787 10 0 FFAEMO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171892240 510434468 /nfs/dbraw/zinc/43/44/68/510434468.db2.gz WELMLYQYDHEUGB-QGZVFWFLSA-N 1 1 356.470 2.543 10 0 FFAEMO Cc1ccc2nc(CSCC(=O)N3CCC[N@H+](C4CC4)CC3)cn2c1 ZINC000194599416 510438783 /nfs/dbraw/zinc/43/87/83/510438783.db2.gz FEJUXGDHFNYLPV-UHFFFAOYSA-N 1 1 358.511 2.573 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)NCc2ccc3ncccc3c2)C[C@@H]1CC ZINC000194610295 510444236 /nfs/dbraw/zinc/44/42/36/510444236.db2.gz KRDQRPJTVVFUHN-IBGZPJMESA-N 1 1 370.497 2.877 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000175027815 510445282 /nfs/dbraw/zinc/44/52/82/510445282.db2.gz KGPMKDAESJPUFG-RBUKOAKNSA-N 1 1 371.529 2.627 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000246398491 510467491 /nfs/dbraw/zinc/46/74/91/510467491.db2.gz FJSFENHAISRARW-NWDGAFQWSA-N 1 1 373.266 2.505 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2c(F)cccc2Br)CC[N@H+]1C[C@H](C)O ZINC000246398491 510467493 /nfs/dbraw/zinc/46/74/93/510467493.db2.gz FJSFENHAISRARW-NWDGAFQWSA-N 1 1 373.266 2.505 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)C1 ZINC000194656242 510468746 /nfs/dbraw/zinc/46/87/46/510468746.db2.gz VRASRPYOFIXNPG-GFCCVEGCSA-N 1 1 367.375 2.500 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000171960732 510475100 /nfs/dbraw/zinc/47/51/00/510475100.db2.gz JVHWRRPMEOIWHK-AWEZNQCLSA-N 1 1 364.291 2.965 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(Br)cn3)C2)n1 ZINC000171960732 510475105 /nfs/dbraw/zinc/47/51/05/510475105.db2.gz JVHWRRPMEOIWHK-AWEZNQCLSA-N 1 1 364.291 2.965 10 0 FFAEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246452358 510496042 /nfs/dbraw/zinc/49/60/42/510496042.db2.gz OMVKLHOVGAGHMW-FRRDWIJNSA-N 1 1 372.435 2.770 10 0 FFAEMO C[C@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1N1CCOCC1 ZINC000246468739 510505805 /nfs/dbraw/zinc/50/58/05/510505805.db2.gz NYHVTOXZIGIOFQ-SCLBCKFNSA-N 1 1 363.408 2.772 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1N1CCOCC1 ZINC000246468739 510505807 /nfs/dbraw/zinc/50/58/07/510505807.db2.gz NYHVTOXZIGIOFQ-SCLBCKFNSA-N 1 1 363.408 2.772 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000187938207 510510578 /nfs/dbraw/zinc/51/05/78/510510578.db2.gz RRUXAGXRNLWIRI-VHSXEESVSA-N 1 1 367.273 2.990 10 0 FFAEMO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246481384 510512182 /nfs/dbraw/zinc/51/21/82/510512182.db2.gz GPHGLMMJSIRNDM-KZNAEPCWSA-N 1 1 361.555 2.789 10 0 FFAEMO CN1CCOc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc21 ZINC000246479081 510512246 /nfs/dbraw/zinc/51/22/46/510512246.db2.gz QRAKHDRKJYPYON-MAUKXSAKSA-N 1 1 370.497 2.996 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000184774799 510512679 /nfs/dbraw/zinc/51/26/79/510512679.db2.gz QKWOAQDNISAISH-SJORKVTESA-N 1 1 353.894 2.889 10 0 FFAEMO Cc1ccc([C@@H]2C[N@H+](C[C@@H](O)Cn3cnc4cc(C)c(C)cc43)CCO2)o1 ZINC000246488074 510515915 /nfs/dbraw/zinc/51/59/15/510515915.db2.gz JWNJUVBZUADBJN-UTKZUKDTSA-N 1 1 369.465 2.989 10 0 FFAEMO Cc1ccc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cnc4cc(C)c(C)cc43)CCO2)o1 ZINC000246488074 510515919 /nfs/dbraw/zinc/51/59/19/510515919.db2.gz JWNJUVBZUADBJN-UTKZUKDTSA-N 1 1 369.465 2.989 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000172056618 510519956 /nfs/dbraw/zinc/51/99/56/510519956.db2.gz WGTMBARJNBPRCR-ZIAGYGMSSA-N 1 1 360.483 2.614 10 0 FFAEMO Cc1cnn(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246507412 510526681 /nfs/dbraw/zinc/52/66/81/510526681.db2.gz NMMYIMJNDHOERU-HKUYNNGSSA-N 1 1 355.486 2.544 10 0 FFAEMO O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178304938 510536259 /nfs/dbraw/zinc/53/62/59/510536259.db2.gz YLWPQGCQBPAHLO-QGZVFWFLSA-N 1 1 350.503 2.691 10 0 FFAEMO Cc1nnc([C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c2ccccc2)[nH]1 ZINC000246545745 510548546 /nfs/dbraw/zinc/54/85/46/510548546.db2.gz XXQUUIFJDRVTBK-IIDMSEBBSA-N 1 1 370.501 2.622 10 0 FFAEMO Cc1nc([C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c2ccccc2)n[nH]1 ZINC000246545745 510548553 /nfs/dbraw/zinc/54/85/53/510548553.db2.gz XXQUUIFJDRVTBK-IIDMSEBBSA-N 1 1 370.501 2.622 10 0 FFAEMO Cc1nc([C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c2ccccc2)n[nH]1 ZINC000246545745 510548557 /nfs/dbraw/zinc/54/85/57/510548557.db2.gz XXQUUIFJDRVTBK-IIDMSEBBSA-N 1 1 370.501 2.622 10 0 FFAEMO COc1ccc(-c2nc(CN3CCC[C@@H]3Cn3cc[nH+]c3C)no2)cc1 ZINC000178329039 510549047 /nfs/dbraw/zinc/54/90/47/510549047.db2.gz FYKUFHYAUZRRKO-MRXNPFEDSA-N 1 1 353.426 2.915 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)N3CCC(c4cc[nH]n4)CC3)CC2)[nH+]c1 ZINC000175276491 510566570 /nfs/dbraw/zinc/56/65/70/510566570.db2.gz AKVZSVBWOBQPIB-UHFFFAOYSA-N 1 1 368.485 2.671 10 0 FFAEMO 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CCC[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@@H](O)COCC ZINC000036313200 506402440 /nfs/dbraw/zinc/40/24/40/506402440.db2.gz BNILVRQFKUPDGG-CYBMUJFWSA-N 1 1 367.515 2.717 10 0 FFAEMO CCC[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@@H](O)COCC ZINC000036313200 506402447 /nfs/dbraw/zinc/40/24/47/506402447.db2.gz BNILVRQFKUPDGG-CYBMUJFWSA-N 1 1 367.515 2.717 10 0 FFAEMO COc1ccc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000066172315 506433074 /nfs/dbraw/zinc/43/30/74/506433074.db2.gz UKDOOAJCENIBQL-SFHVURJKSA-N 1 1 369.465 2.544 10 0 FFAEMO COc1cc2c(cc1CC[NH+](C)C)[C@H](c1cnc3ccccc3n1)NCC2 ZINC000038805261 506444749 /nfs/dbraw/zinc/44/47/49/506444749.db2.gz FRNGHFYOEYUMRQ-JOCHJYFZSA-N 1 1 362.477 2.978 10 0 FFAEMO COc1ccccc1/C(C)=C/C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000067154369 506776670 /nfs/dbraw/zinc/77/66/70/506776670.db2.gz CBFJDWLVUADGHF-ZQHZRZASSA-N 1 1 358.482 2.810 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)C1 ZINC000067408172 506866318 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ZINC000106085109 508392440 /nfs/dbraw/zinc/39/24/40/508392440.db2.gz WKSKTQVAJIPAHZ-UHFFFAOYSA-N 1 1 353.470 2.633 10 0 FFAEMO CCC[C@H](NC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000106109490 508393598 /nfs/dbraw/zinc/39/35/98/508393598.db2.gz HFBCVIUHKBUPIY-GGPKGHCWSA-N 1 1 361.530 2.685 10 0 FFAEMO CCC[C@H](NC(=O)[C@@H](C)N1CC[N@@H+](CCOC)[C@H](C)C1)c1ccccc1 ZINC000106109490 508393600 /nfs/dbraw/zinc/39/36/00/508393600.db2.gz HFBCVIUHKBUPIY-GGPKGHCWSA-N 1 1 361.530 2.685 10 0 FFAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000106112864 508394531 /nfs/dbraw/zinc/39/45/31/508394531.db2.gz SCNBEPVCJQVJAB-GJZGRUSLSA-N 1 1 353.894 2.710 10 0 FFAEMO CCOCCN1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000106111455 508394486 /nfs/dbraw/zinc/39/44/86/508394486.db2.gz LAIZRRWHYGNJBY-GHTZIAJQSA-N 1 1 373.541 2.613 10 0 FFAEMO CCOCC[N@@H+]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000106111455 508394487 /nfs/dbraw/zinc/39/44/87/508394487.db2.gz LAIZRRWHYGNJBY-GHTZIAJQSA-N 1 1 373.541 2.613 10 0 FFAEMO CCOCC[N@H+]1CCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000106111455 508394491 /nfs/dbraw/zinc/39/44/91/508394491.db2.gz LAIZRRWHYGNJBY-GHTZIAJQSA-N 1 1 373.541 2.613 10 0 FFAEMO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2)C[C@@H]1C ZINC000106112864 508394529 /nfs/dbraw/zinc/39/45/29/508394529.db2.gz SCNBEPVCJQVJAB-GJZGRUSLSA-N 1 1 353.894 2.710 10 0 FFAEMO CCOCC[N@H+]1CCN(CCCOc2ccc3c(c2)OCO3)C[C@H]1CC ZINC000106116773 508395788 /nfs/dbraw/zinc/39/57/88/508395788.db2.gz ATPJIOUESVVPOM-QGZVFWFLSA-N 1 1 364.486 2.617 10 0 FFAEMO CCOCCN1CC[N@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CC ZINC000106116773 508395790 /nfs/dbraw/zinc/39/57/90/508395790.db2.gz ATPJIOUESVVPOM-QGZVFWFLSA-N 1 1 364.486 2.617 10 0 FFAEMO CCOCCN1CC[N@@H+](CCCOc2ccc3c(c2)OCO3)C[C@H]1CC ZINC000106116773 508395791 /nfs/dbraw/zinc/39/57/91/508395791.db2.gz ATPJIOUESVVPOM-QGZVFWFLSA-N 1 1 364.486 2.617 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1 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LIFWFEOQFCWCTB-GOSISDBHSA-N 1 1 364.534 2.782 10 0 FFAEMO Cc1ccccc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115780880 508436268 /nfs/dbraw/zinc/43/62/68/508436268.db2.gz QCKLNRBHPCCQQJ-QGZVFWFLSA-N 1 1 355.486 2.707 10 0 FFAEMO Cc1ccccc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115780880 508436272 /nfs/dbraw/zinc/43/62/72/508436272.db2.gz QCKLNRBHPCCQQJ-QGZVFWFLSA-N 1 1 355.486 2.707 10 0 FFAEMO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121875681 508437730 /nfs/dbraw/zinc/43/77/30/508437730.db2.gz RHLYMEHCGRJKGY-IIBYNOLFSA-N 1 1 355.482 2.756 10 0 FFAEMO CN(C)Cc1cc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1F ZINC000115844398 508446742 /nfs/dbraw/zinc/44/67/42/508446742.db2.gz BVGVFMUKCYKHSX-UHFFFAOYSA-N 1 1 362.493 2.657 10 0 FFAEMO CCc1nccn1[C@H]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000152453048 508449322 /nfs/dbraw/zinc/44/93/22/508449322.db2.gz KKWSPZDOMCHCTE-IBGZPJMESA-N 1 1 369.513 2.924 10 0 FFAEMO 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360.502 2.554 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)CC1 ZINC000134168385 508502638 /nfs/dbraw/zinc/50/26/38/508502638.db2.gz YNXVPZVMDBXYTD-HXUWFJFHSA-N 1 1 353.466 2.586 10 0 FFAEMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000122301696 508514651 /nfs/dbraw/zinc/51/46/51/508514651.db2.gz ZGLZDACYVKDYLC-RDJZCZTQSA-N 1 1 364.486 2.583 10 0 FFAEMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COC(C)(C)C ZINC000122301696 508514658 /nfs/dbraw/zinc/51/46/58/508514658.db2.gz ZGLZDACYVKDYLC-RDJZCZTQSA-N 1 1 364.486 2.583 10 0 FFAEMO CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000116476951 508518495 /nfs/dbraw/zinc/51/84/95/508518495.db2.gz XQENMKKXPGWXLY-GXTWGEPZSA-N 1 1 360.487 2.528 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCc1cccc(O)c1 ZINC000116543284 508527428 /nfs/dbraw/zinc/52/74/28/508527428.db2.gz HIBOOPBLDPKDDG-JXFKEZNVSA-N 1 1 368.481 2.540 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)c2cc(C)c(Br)cc2C)C[C@H]1C 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CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 ZINC000052594355 507815331 /nfs/dbraw/zinc/81/53/31/507815331.db2.gz FOLQQOVPUWFPLM-MRXNPFEDSA-N 1 1 355.486 2.936 10 0 FFAEMO Cc1c(F)cccc1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000072600317 507829900 /nfs/dbraw/zinc/82/99/00/507829900.db2.gz UHZINZBNZNUGCL-KRWDZBQOSA-N 1 1 357.429 2.675 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000107255207 507840564 /nfs/dbraw/zinc/84/05/64/507840564.db2.gz GEQFHCYMAXPHMT-QGZVFWFLSA-N 1 1 364.453 2.563 10 0 FFAEMO CCn1cnnc1C1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000107305793 507843003 /nfs/dbraw/zinc/84/30/03/507843003.db2.gz UWWCKSYQOGYTKR-UHFFFAOYSA-N 1 1 361.534 2.954 10 0 FFAEMO O=c1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2sccn21 ZINC000072866936 507866482 /nfs/dbraw/zinc/86/64/82/507866482.db2.gz KOTYJMKPJUNYQI-SJORKVTESA-N 1 1 355.463 2.844 10 0 FFAEMO CN(C)c1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000089852790 507874586 /nfs/dbraw/zinc/87/45/86/507874586.db2.gz FKEXDKKFJLTKRW-PMACEKPBSA-N 1 1 368.481 2.510 10 0 FFAEMO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090224596 507915560 /nfs/dbraw/zinc/91/55/60/507915560.db2.gz NXWAXYZOERXGAG-MLGOLLRUSA-N 1 1 363.487 2.534 10 0 FFAEMO CC(=O)N[C@H](CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000108771035 507917695 /nfs/dbraw/zinc/91/76/95/507917695.db2.gz YZQOLOFFDFXDLO-HXUWFJFHSA-N 1 1 353.466 2.502 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)c3ccccc3F)CC2)cn1 ZINC000108995153 507930922 /nfs/dbraw/zinc/93/09/22/507930922.db2.gz FLXXVZRXIYGBCK-INIZCTEOSA-N 1 1 358.461 2.880 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)c3ccccc3F)CC2)cn1 ZINC000108995153 507930924 /nfs/dbraw/zinc/93/09/24/507930924.db2.gz FLXXVZRXIYGBCK-INIZCTEOSA-N 1 1 358.461 2.880 10 0 FFAEMO COc1cc(CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1O ZINC000073600917 507936390 /nfs/dbraw/zinc/93/63/90/507936390.db2.gz OJHVTSQHHAQYER-UHFFFAOYSA-N 1 1 370.453 2.572 10 0 FFAEMO O=C(CN1CCCCCCC1=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000109303123 507953921 /nfs/dbraw/zinc/95/39/21/507953921.db2.gz MLWKRJMGVWGPHJ-HXUWFJFHSA-N 1 1 371.525 2.950 10 0 FFAEMO COc1ccccc1/C(C)=C/C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109657409 507976361 /nfs/dbraw/zinc/97/63/61/507976361.db2.gz ZDFZZFUYEBYHGF-GHRIWEEISA-N 1 1 368.481 2.567 10 0 FFAEMO COc1ccccc1/C(C)=C/C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000109657409 507976363 /nfs/dbraw/zinc/97/63/63/507976363.db2.gz ZDFZZFUYEBYHGF-GHRIWEEISA-N 1 1 368.481 2.567 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC000109658906 507976447 /nfs/dbraw/zinc/97/64/47/507976447.db2.gz XONQNHWTLYIGJO-UHFFFAOYSA-N 1 1 372.900 2.840 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cn1 ZINC000109658906 507976448 /nfs/dbraw/zinc/97/64/48/507976448.db2.gz XONQNHWTLYIGJO-UHFFFAOYSA-N 1 1 372.900 2.840 10 0 FFAEMO Cc1cccc(OCCCC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000109658192 507976740 /nfs/dbraw/zinc/97/67/40/507976740.db2.gz IIQTYODUZGWISP-UHFFFAOYSA-N 1 1 370.497 2.622 10 0 FFAEMO Cc1cccc(OCCCC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000109658192 507976744 /nfs/dbraw/zinc/97/67/44/507976744.db2.gz IIQTYODUZGWISP-UHFFFAOYSA-N 1 1 370.497 2.622 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 ZINC000109677414 507980003 /nfs/dbraw/zinc/98/00/03/507980003.db2.gz JHNPHYOUMWTAGW-INIZCTEOSA-N 1 1 350.426 2.504 10 0 FFAEMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1OC(F)F ZINC000110092257 508006743 /nfs/dbraw/zinc/00/67/43/508006743.db2.gz KENALBKTPOPQFA-ZDUSSCGKSA-N 1 1 357.401 2.829 10 0 FFAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)N[C@H](c3ccccc3)C3CC3)C2)CC1 ZINC000091845009 508018230 /nfs/dbraw/zinc/01/82/30/508018230.db2.gz XRWVHWFHECRDKJ-LEWJYISDSA-N 1 1 370.541 2.949 10 0 FFAEMO Cc1cc(C)c(CNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000091848502 508018973 /nfs/dbraw/zinc/01/89/73/508018973.db2.gz CDJSORIJOBPGSY-HXUWFJFHSA-N 1 1 372.557 2.923 10 0 FFAEMO CCCC1(CNC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CCC1 ZINC000091865505 508020619 /nfs/dbraw/zinc/02/06/19/508020619.db2.gz NUNAFFLXUZWWOO-GOSISDBHSA-N 1 1 350.551 2.768 10 0 FFAEMO CC(C)CSCCCNC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000091889542 508021662 /nfs/dbraw/zinc/02/16/62/508021662.db2.gz KFCKLCFJGKBBPO-SFHVURJKSA-N 1 1 370.607 2.577 10 0 FFAEMO C[C@H]1C[N@@H+](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079486 508041312 /nfs/dbraw/zinc/04/13/12/508041312.db2.gz WENBAKOSMWINBT-HNNXBMFYSA-N 1 1 358.461 2.901 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)CCO1 ZINC000092079486 508041318 /nfs/dbraw/zinc/04/13/18/508041318.db2.gz WENBAKOSMWINBT-HNNXBMFYSA-N 1 1 358.461 2.901 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)c3cn(C)nc3C(C)(C)C)CC2)[nH+]c1 ZINC000092245338 508053813 /nfs/dbraw/zinc/05/38/13/508053813.db2.gz HFHYVEVXDRVZAT-UHFFFAOYSA-N 1 1 355.486 2.820 10 0 FFAEMO C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1cccc(-n2ccnc2)c1 ZINC000074876686 508066702 /nfs/dbraw/zinc/06/67/02/508066702.db2.gz AZJOAEDPEMHFAS-MRXNPFEDSA-N 1 1 353.470 2.813 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000092669143 508092577 /nfs/dbraw/zinc/09/25/77/508092577.db2.gz VLPZUDUNMJBHFI-SNVBAGLBSA-N 1 1 367.334 2.615 10 0 FFAEMO COc1cc(OC)c(OC)cc1C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000093271927 508131823 /nfs/dbraw/zinc/13/18/23/508131823.db2.gz HSMVDMDOQHOOMH-UHFFFAOYSA-N 1 1 372.469 2.523 10 0 FFAEMO Brc1ccccc1OCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000093791377 508155191 /nfs/dbraw/zinc/15/51/91/508155191.db2.gz XRKPYWVENHIEKF-AWEZNQCLSA-N 1 1 365.275 2.832 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1I ZINC000101631703 508251271 /nfs/dbraw/zinc/25/12/71/508251271.db2.gz ZGYPRLRKCSOLHB-LBPRGKRZSA-N 1 1 372.250 2.814 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000113268243 508256769 /nfs/dbraw/zinc/25/67/69/508256769.db2.gz SEASAZXTHOWAQC-GHMZBOCLSA-N 1 1 367.247 2.761 10 0 FFAEMO Cc1ccc(OCc2nc(C[NH2+][C@@H]3CCc4ncnn4C3)cs2)cc1 ZINC000113338456 508261767 /nfs/dbraw/zinc/26/17/67/508261767.db2.gz BUWLURBKURUAPB-CQSZACIVSA-N 1 1 355.467 2.727 10 0 FFAEMO CC(C)NC(=O)Nc1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000113596061 508275219 /nfs/dbraw/zinc/27/52/19/508275219.db2.gz LYNSYMLOANPDGI-CRAIPNDOSA-N 1 1 373.501 2.595 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCOCCc1ccccc1 ZINC000113597886 508275343 /nfs/dbraw/zinc/27/53/43/508275343.db2.gz KKORSYJDICEOAQ-AZUAARDMSA-N 1 1 359.514 2.904 10 0 FFAEMO Cc1ccccc1OCCC[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000103491585 508315466 /nfs/dbraw/zinc/31/54/66/508315466.db2.gz CNZVEYTTYWBJFI-IBGZPJMESA-N 1 1 373.541 2.829 10 0 FFAEMO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652166 508340449 /nfs/dbraw/zinc/34/04/49/508340449.db2.gz ACETXBQIUMVQHV-LJQANCHMSA-N 1 1 371.525 2.756 10 0 FFAEMO OC[C@@H]1CCC[N@H+]1CCCOc1cccc(I)c1 ZINC000104961435 508355265 /nfs/dbraw/zinc/35/52/65/508355265.db2.gz LUJYSDYIRNKIPL-ZDUSSCGKSA-N 1 1 361.223 2.517 10 0 FFAEMO O=C(NCc1cc(F)cc(Br)c1)N1CC[NH+](C2CC2)CC1 ZINC000105171060 508364513 /nfs/dbraw/zinc/36/45/13/508364513.db2.gz FJAXSSDVZHQMCK-UHFFFAOYSA-N 1 1 356.239 2.578 10 0 FFAEMO Cc1ccc2oc(N3CC[NH+](C[C@@H](O)COc4ccccc4)CC3)nc2c1 ZINC000106095196 508392993 /nfs/dbraw/zinc/39/29/93/508392993.db2.gz DCCMNLVNBBRWKP-QGZVFWFLSA-N 1 1 367.449 2.698 10 0 FFAEMO CC[C@@H]1CN(Cc2ncc(-c3ccc(OC)cc3)o2)CC[N@H+]1C[C@@H](C)O ZINC000106101277 508393055 /nfs/dbraw/zinc/39/30/55/508393055.db2.gz URHWCGZMHYIKTH-NVXWUHKLSA-N 1 1 359.470 2.627 10 0 FFAEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000106112587 508394434 /nfs/dbraw/zinc/39/44/34/508394434.db2.gz FQWUAKFGGFZKKX-INIZCTEOSA-N 1 1 367.921 2.938 10 0 FFAEMO CCOCC[N@H+]1CCN(CC(=O)Nc2c(C)cc(C)cc2Cl)C[C@@H]1C ZINC000106112587 508394438 /nfs/dbraw/zinc/39/44/38/508394438.db2.gz FQWUAKFGGFZKKX-INIZCTEOSA-N 1 1 367.921 2.938 10 0 FFAEMO CCOCC[N@H+]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1CC ZINC000106117027 508395542 /nfs/dbraw/zinc/39/55/42/508395542.db2.gz XAFFXDUOTZYNFD-GOSISDBHSA-N 1 1 358.486 2.593 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C)cc3C)C2)n1 ZINC000106176939 508397420 /nfs/dbraw/zinc/39/74/20/508397420.db2.gz WCXUVPNEANJAFJ-VQTJNVASSA-N 1 1 372.513 2.664 10 0 FFAEMO CCCOc1ccc(OCC[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000106198802 508397735 /nfs/dbraw/zinc/39/77/35/508397735.db2.gz QVHRNVUQJMBPQW-HXUWFJFHSA-N 1 1 359.470 2.760 10 0 FFAEMO CCCOc1ccc(OCC[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000106198802 508397736 /nfs/dbraw/zinc/39/77/36/508397736.db2.gz QVHRNVUQJMBPQW-HXUWFJFHSA-N 1 1 359.470 2.760 10 0 FFAEMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000106520242 508401419 /nfs/dbraw/zinc/40/14/19/508401419.db2.gz LXDHXLPPLQFNKS-KSSFIOAISA-N 1 1 364.921 2.726 10 0 FFAEMO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106787591 508404596 /nfs/dbraw/zinc/40/45/96/508404596.db2.gz VGAPUJFMUSHTTK-PKOBYXMFSA-N 1 1 357.498 2.574 10 0 FFAEMO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000156355611 508407471 /nfs/dbraw/zinc/40/74/71/508407471.db2.gz IIFCXRJCXPLLDG-UHFFFAOYSA-N 1 1 367.497 2.747 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCNc2ccccn2)C1 ZINC000152266884 508412257 /nfs/dbraw/zinc/41/22/57/508412257.db2.gz LDMNTFWJMSNBNV-INIZCTEOSA-N 1 1 356.474 2.689 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H]1C ZINC000152375398 508433294 /nfs/dbraw/zinc/43/32/94/508433294.db2.gz XADLGAADIHOPRJ-CQSZACIVSA-N 1 1 358.404 2.974 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C[C@H]1C ZINC000152375398 508433299 /nfs/dbraw/zinc/43/32/99/508433299.db2.gz XADLGAADIHOPRJ-CQSZACIVSA-N 1 1 358.404 2.974 10 0 FFAEMO CCCC1CCC(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000115808694 508439851 /nfs/dbraw/zinc/43/98/51/508439851.db2.gz GPYKXEZFKDSXOX-UHFFFAOYSA-N 1 1 361.534 2.996 10 0 FFAEMO 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364.808 2.614 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2cccc(C(F)(F)F)c2)cn1 ZINC000181346009 510367766 /nfs/dbraw/zinc/36/77/66/510367766.db2.gz HDFKCYVTNSQCHS-SQRWCISFSA-N 1 1 364.371 2.625 10 0 FFAEMO CCCn1cc(C[N@H+]2CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC2)cn1 ZINC000190855728 510374725 /nfs/dbraw/zinc/37/47/25/510374725.db2.gz CSNHAHPOJOHGAE-GOSISDBHSA-N 1 1 364.534 2.921 10 0 FFAEMO CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000174905099 510377591 /nfs/dbraw/zinc/37/75/91/510377591.db2.gz FHJNPTVTCMTVHN-MRXNPFEDSA-N 1 1 359.470 2.883 10 0 FFAEMO Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181376334 510380430 /nfs/dbraw/zinc/38/04/30/510380430.db2.gz CZTTZSIAZFAASN-FQEVSTJZSA-N 1 1 361.449 2.577 10 0 FFAEMO Cc1ccccc1-c1nc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cs1 ZINC000181384398 510383484 /nfs/dbraw/zinc/38/34/84/510383484.db2.gz BPENBWTUPXNNEU-KRWDZBQOSA-N 1 1 367.478 2.639 10 0 FFAEMO C[C@H](Sc1ccccc1Cl)C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181386297 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COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1OCC(F)(F)F ZINC000171888634 510430754 /nfs/dbraw/zinc/43/07/54/510430754.db2.gz IGTTYEFFUBCAED-CYBMUJFWSA-N 1 1 373.375 2.948 10 0 FFAEMO C[C@@H]1CN(c2ccccc2NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000171890634 510432177 /nfs/dbraw/zinc/43/21/77/510432177.db2.gz HPBMDZVTTHGKGH-BRWVUGGUSA-N 1 1 358.486 2.612 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c(OC(F)F)c1 ZINC000175030228 510446541 /nfs/dbraw/zinc/44/65/41/510446541.db2.gz VYSMKIUKCAGDSZ-UONOGXRCSA-N 1 1 354.397 2.995 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000175032845 510449958 /nfs/dbraw/zinc/44/99/58/510449958.db2.gz KLROAFQVVACPSH-DLBZAZTESA-N 1 1 358.486 2.510 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000175037963 510453870 /nfs/dbraw/zinc/45/38/70/510453870.db2.gz AJGDPIBJZBMYER-HUUCEWRRSA-N 1 1 351.878 2.846 10 0 FFAEMO CCCc1c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)nnn1-c1cccc(Cl)c1 ZINC000171930144 510456006 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367.497 2.973 10 0 FFAEMO Cc1nc([C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc2)n[nH]1 ZINC000178195050 510483617 /nfs/dbraw/zinc/48/36/17/510483617.db2.gz ZIVQPNYHJWNOSY-HKUYNNGSSA-N 1 1 367.497 2.973 10 0 FFAEMO CC[C@@H](C)NC(=O)c1cccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000246446559 510494184 /nfs/dbraw/zinc/49/41/84/510494184.db2.gz OIPQEJYNYACCSB-APWZRJJASA-N 1 1 372.513 2.595 10 0 FFAEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)[C@@H](C)C1 ZINC000246455376 510497822 /nfs/dbraw/zinc/49/78/22/510497822.db2.gz OUNQVBQETLRZLV-PKOBYXMFSA-N 1 1 373.545 2.731 10 0 FFAEMO CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000181666190 510528912 /nfs/dbraw/zinc/52/89/12/510528912.db2.gz POGOVMGYXXWPCA-QKLQHJQFSA-N 1 1 365.562 2.943 10 0 FFAEMO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc2)CC1 ZINC000246535551 510541534 /nfs/dbraw/zinc/54/15/34/510541534.db2.gz LLIGETJAADAYKC-KRWDZBQOSA-N 1 1 353.470 2.610 10 0 FFAEMO 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FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000181814277 510607680 /nfs/dbraw/zinc/60/76/80/510607680.db2.gz YENSIFNEIRWYPW-WBVHZDCISA-N 1 1 372.469 2.501 10 0 FFAEMO Cc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)C2CC2)o1 ZINC000188127403 510608012 /nfs/dbraw/zinc/60/80/12/510608012.db2.gz INFWTBPHSOHZSX-LPHOPBHVSA-N 1 1 374.506 2.848 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(Cc3ccc(Br)o3)CC2)cn1 ZINC000191340298 510613465 /nfs/dbraw/zinc/61/34/65/510613465.db2.gz GPOHJOOCYVMQFC-UHFFFAOYSA-N 1 1 367.291 2.966 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(Cc3ccc(Br)o3)CC2)cn1 ZINC000191340298 510613470 /nfs/dbraw/zinc/61/34/70/510613470.db2.gz GPOHJOOCYVMQFC-UHFFFAOYSA-N 1 1 367.291 2.966 10 0 FFAEMO COc1ccc(Cl)cc1NCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246719293 510634401 /nfs/dbraw/zinc/63/44/01/510634401.db2.gz ACHILSODHUSUJN-XJKSGUPXSA-N 1 1 353.894 2.996 10 0 FFAEMO Cc1ccc(NC(=O)[C@@H](C)N2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000246740187 510644872 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O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000172326005 510669320 /nfs/dbraw/zinc/66/93/20/510669320.db2.gz IJQRRUKPKJUSBX-MAUKXSAKSA-N 1 1 368.433 2.854 10 0 FFAEMO CCC[C@H](NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1)c1ccc(F)cc1F ZINC000181981994 510691626 /nfs/dbraw/zinc/69/16/26/510691626.db2.gz HKPAWRJUXNVQKI-YJBOKZPZSA-N 1 1 369.456 2.904 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2C)CC[N@H+]1C[C@H](C)O ZINC000246819310 510692511 /nfs/dbraw/zinc/69/25/11/510692511.db2.gz LBPNTUQOUKZIEY-QFBILLFUSA-N 1 1 367.493 2.974 10 0 FFAEMO CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[C@H](C)O1 ZINC000246825172 510694928 /nfs/dbraw/zinc/69/49/28/510694928.db2.gz CFCUHGOOSYYGMG-UKBAYJJMSA-N 1 1 360.502 2.501 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC000246826273 510695616 /nfs/dbraw/zinc/69/56/16/510695616.db2.gz GIIVXOMUTNBCSW-IAGOWNOFSA-N 1 1 361.534 2.945 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC000246826273 510695622 /nfs/dbraw/zinc/69/56/22/510695622.db2.gz GIIVXOMUTNBCSW-IAGOWNOFSA-N 1 1 361.534 2.945 10 0 FFAEMO C[C@@H]1CN(C(=O)NCC2(c3ccccc3)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000175644897 510710915 /nfs/dbraw/zinc/71/09/15/510710915.db2.gz QVPPALVNTOENBK-UYAOXDASSA-N 1 1 371.525 2.861 10 0 FFAEMO CCN(C)c1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712122 /nfs/dbraw/zinc/71/21/22/510712122.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 1 1 353.514 2.887 10 0 FFAEMO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712128 /nfs/dbraw/zinc/71/21/28/510712128.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 1 1 353.514 2.887 10 0 FFAEMO CCN(C)c1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000191537894 510712136 /nfs/dbraw/zinc/71/21/36/510712136.db2.gz IMZLWQJWQJGIFU-HXUWFJFHSA-N 1 1 353.514 2.887 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000246857101 510714190 /nfs/dbraw/zinc/71/41/90/510714190.db2.gz VVESRHIYDATURP-XHDPSFHLSA-N 1 1 357.267 2.976 10 0 FFAEMO Cc1coc(-c2cccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2)n1 ZINC000182032657 510720878 /nfs/dbraw/zinc/72/08/78/510720878.db2.gz KDCIYLMTSPUZNA-LSDHHAIUSA-N 1 1 358.442 2.569 10 0 FFAEMO CC(C)C(=O)Nc1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000195223711 510724120 /nfs/dbraw/zinc/72/41/20/510724120.db2.gz RZMOBBAPSBMARE-GOSISDBHSA-N 1 1 358.486 2.661 10 0 FFAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)C3(Cc4ccccc4F)CC3)CC2)CCO1 ZINC000188364406 510730027 /nfs/dbraw/zinc/73/00/27/510730027.db2.gz HCVKFMZQTWCWEC-MRXNPFEDSA-N 1 1 360.473 2.860 10 0 FFAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000191579181 510734409 /nfs/dbraw/zinc/73/44/09/510734409.db2.gz AMQQDLMAWOXAHT-BBVFFXRHSA-N 1 1 373.497 2.749 10 0 FFAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000191579181 510734415 /nfs/dbraw/zinc/73/44/15/510734415.db2.gz AMQQDLMAWOXAHT-BBVFFXRHSA-N 1 1 373.497 2.749 10 0 FFAEMO 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/nfs/dbraw/zinc/39/51/31/508395131.db2.gz RPWCAVTZQSKYGF-SJORKVTESA-N 1 1 366.506 2.523 10 0 FFAEMO CCOCC[N@H+]1CCN([C@@H](C)C(=O)Nc2nc(C)c(C)s2)C[C@@H]1CC ZINC000106117121 508395648 /nfs/dbraw/zinc/39/56/48/508395648.db2.gz SZYDGMJUHKIPDM-HOCLYGCPSA-N 1 1 368.547 2.520 10 0 FFAEMO O=C(CC[N@H+]1CCO[C@@H](Cn2cccn2)C1)Nc1cccc2ccccc21 ZINC000106191038 508397583 /nfs/dbraw/zinc/39/75/83/508397583.db2.gz JHRXZTKWIBQNBZ-GOSISDBHSA-N 1 1 364.449 2.766 10 0 FFAEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccc(F)cc2)C1 ZINC000106216876 508398122 /nfs/dbraw/zinc/39/81/22/508398122.db2.gz FOBNPPJJUHVSJW-LPHOPBHVSA-N 1 1 372.488 2.969 10 0 FFAEMO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106224386 508398226 /nfs/dbraw/zinc/39/82/26/508398226.db2.gz QQEKXLLMQCADAO-GOSISDBHSA-N 1 1 370.453 2.644 10 0 FFAEMO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106224386 508398227 /nfs/dbraw/zinc/39/82/27/508398227.db2.gz QQEKXLLMQCADAO-GOSISDBHSA-N 1 1 370.453 2.644 10 0 FFAEMO C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c3ccccc3)ccc2O1 ZINC000106226814 508398396 /nfs/dbraw/zinc/39/83/96/508398396.db2.gz UTULNLOFETVGCN-KSSFIOAISA-N 1 1 360.479 2.591 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000106394470 508400218 /nfs/dbraw/zinc/40/02/18/508400218.db2.gz BVIISLDFPCMAKV-SFHVURJKSA-N 1 1 373.522 2.576 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000106398035 508400293 /nfs/dbraw/zinc/40/02/93/508400293.db2.gz MXLKUYRVUHJXKO-HXUWFJFHSA-N 1 1 352.478 2.806 10 0 FFAEMO CCCN(C[C@@H]1CCCCO1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523811 508401535 /nfs/dbraw/zinc/40/15/35/508401535.db2.gz YNCPMTDARSQKDU-KSZLIROESA-N 1 1 369.550 2.865 10 0 FFAEMO CCCN(C[C@@H]1CCCCO1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106523811 508401536 /nfs/dbraw/zinc/40/15/36/508401536.db2.gz YNCPMTDARSQKDU-KSZLIROESA-N 1 1 369.550 2.865 10 0 FFAEMO COc1cccc([C@@H]2C[C@@H]2C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000106609829 508402991 /nfs/dbraw/zinc/40/29/91/508402991.db2.gz BFNIAERFCVERMS-SFTDATJTSA-N 1 1 350.462 2.973 10 0 FFAEMO C[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000121738471 508407361 /nfs/dbraw/zinc/40/73/61/508407361.db2.gz ZVUCDNPSHLDRMU-PBHICJAKSA-N 1 1 374.431 2.604 10 0 FFAEMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000121918181 508448558 /nfs/dbraw/zinc/44/85/58/508448558.db2.gz DRDXTYNFXNUSAO-CQSZACIVSA-N 1 1 350.898 2.756 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@@H]1C ZINC000152468560 508452799 /nfs/dbraw/zinc/45/27/99/508452799.db2.gz FJFBREAWRJZRFO-INIZCTEOSA-N 1 1 368.481 2.635 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2C)C[C@@H]1C ZINC000152468560 508452804 /nfs/dbraw/zinc/45/28/04/508452804.db2.gz FJFBREAWRJZRFO-INIZCTEOSA-N 1 1 368.481 2.635 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000121971315 508459799 /nfs/dbraw/zinc/45/97/99/508459799.db2.gz RITCBCKQFFTJFR-UHFFFAOYSA-N 1 1 366.465 2.864 10 0 FFAEMO COCCOc1ccccc1C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000122002851 508465177 /nfs/dbraw/zinc/46/51/77/508465177.db2.gz GVPXRSHYDSWSHO-SFHVURJKSA-N 1 1 358.486 2.832 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cccnc2Br)CC1 ZINC000122009258 508466585 /nfs/dbraw/zinc/46/65/85/508466585.db2.gz PVBLKFWSKOBWSG-UHFFFAOYSA-N 1 1 363.259 2.673 10 0 FFAEMO Cc1csc(C2CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)n1 ZINC000156747180 508471163 /nfs/dbraw/zinc/47/11/63/508471163.db2.gz KGGTZZMKNGTINL-UHFFFAOYSA-N 1 1 373.478 2.676 10 0 FFAEMO C[C@@H]1C[N@H+](CC2CCN(C(=O)C[C@@H]3CSCCS3)CC2)C[C@H](C)O1 ZINC000122145311 508488505 /nfs/dbraw/zinc/48/85/05/508488505.db2.gz AIIRDHUHFXITGE-HLLBOEOZSA-N 1 1 372.600 2.573 10 0 FFAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000116313834 508498034 /nfs/dbraw/zinc/49/80/34/508498034.db2.gz XCMJVQDJFFDRJD-GOSISDBHSA-N 1 1 368.525 2.866 10 0 FFAEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C(F)(F)F)C2)cn1 ZINC000116316544 508498359 /nfs/dbraw/zinc/49/83/59/508498359.db2.gz JUPHMASPSBOJBH-GFCCVEGCSA-N 1 1 352.360 2.867 10 0 FFAEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C(F)(F)F)C2)cn1 ZINC000116316544 508498361 /nfs/dbraw/zinc/49/83/61/508498361.db2.gz JUPHMASPSBOJBH-GFCCVEGCSA-N 1 1 352.360 2.867 10 0 FFAEMO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320914 508499318 /nfs/dbraw/zinc/49/93/18/508499318.db2.gz OPSMDQGVSRATIV-LPHOPBHVSA-N 1 1 370.497 2.876 10 0 FFAEMO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320914 508499321 /nfs/dbraw/zinc/49/93/21/508499321.db2.gz OPSMDQGVSRATIV-LPHOPBHVSA-N 1 1 370.497 2.876 10 0 FFAEMO COc1cccc2c(N[C@H]3CCCN(c4ccn(C)n4)C3=O)cc(C)[nH+]c12 ZINC000127788813 508500698 /nfs/dbraw/zinc/50/06/98/508500698.db2.gz CVCSDFHEBPNGJV-HNNXBMFYSA-N 1 1 365.437 2.893 10 0 FFAEMO COc1cccc2c(N[C@@H]3CCN(c4cc(C)nn4C)C3=O)cc(C)[nH+]c12 ZINC000127946393 508525329 /nfs/dbraw/zinc/52/53/29/508525329.db2.gz YYKOOHYSRGMKMI-OAHLLOKOSA-N 1 1 365.437 2.811 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1cscn1 ZINC000116569186 508531346 /nfs/dbraw/zinc/53/13/46/508531346.db2.gz XOEWBMHSIXWPHE-YOEHRIQHSA-N 1 1 359.499 2.590 10 0 FFAEMO CCn1cnnc1C1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000157278632 508546142 /nfs/dbraw/zinc/54/61/42/508546142.db2.gz OMEGSXQWMRAMNQ-SFHVURJKSA-N 1 1 371.460 2.812 10 0 FFAEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000157280404 508546224 /nfs/dbraw/zinc/54/62/24/508546224.db2.gz YSAOBYOZRSTTDH-WFASDCNBSA-N 1 1 367.877 2.639 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C[C@@H]1CC ZINC000116767194 508556577 /nfs/dbraw/zinc/55/65/77/508556577.db2.gz KHTQHPYLTYCGQI-IBGZPJMESA-N 1 1 370.497 2.754 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C[C@@H]1CC ZINC000116767194 508556581 /nfs/dbraw/zinc/55/65/81/508556581.db2.gz KHTQHPYLTYCGQI-IBGZPJMESA-N 1 1 370.497 2.754 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C[C@H]1CC ZINC000116768273 508558232 /nfs/dbraw/zinc/55/82/32/508558232.db2.gz DHKQWAUNSCEHFD-QGZVFWFLSA-N 1 1 374.460 2.584 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C[C@H]1CC ZINC000116768273 508558237 /nfs/dbraw/zinc/55/82/37/508558237.db2.gz DHKQWAUNSCEHFD-QGZVFWFLSA-N 1 1 374.460 2.584 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C[C@@H]1CC ZINC000116768563 508558331 /nfs/dbraw/zinc/55/83/31/508558331.db2.gz AMVMFXRCVUVKNQ-KRWDZBQOSA-N 1 1 374.460 2.584 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C[C@@H]1CC ZINC000116768563 508558335 /nfs/dbraw/zinc/55/83/35/508558335.db2.gz AMVMFXRCVUVKNQ-KRWDZBQOSA-N 1 1 374.460 2.584 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(OCC)c(OC)c2)C[C@@H]1CC ZINC000116772199 508559187 /nfs/dbraw/zinc/55/91/87/508559187.db2.gz WULKFTWIQUXELI-KRWDZBQOSA-N 1 1 364.486 2.667 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(OCC)c(OC)c2)C[C@@H]1CC ZINC000116772199 508559190 /nfs/dbraw/zinc/55/91/90/508559190.db2.gz WULKFTWIQUXELI-KRWDZBQOSA-N 1 1 364.486 2.667 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)N3CC[C@H](OCC(C)C)C3)CC2)[nH+]1 ZINC000157396385 508561581 /nfs/dbraw/zinc/56/15/81/508561581.db2.gz WMMYPBARJWXKRW-SFHVURJKSA-N 1 1 360.502 2.815 10 0 FFAEMO CCc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000128240816 508566580 /nfs/dbraw/zinc/56/65/80/508566580.db2.gz XZJCRGIECVGTOD-UHFFFAOYSA-N 1 1 369.513 2.883 10 0 FFAEMO CCc1ccccc1CNC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000128240816 508566584 /nfs/dbraw/zinc/56/65/84/508566584.db2.gz XZJCRGIECVGTOD-UHFFFAOYSA-N 1 1 369.513 2.883 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)NC[C@H](OC)c2ccccc2)C[C@@H]1CC ZINC000117029678 508576267 /nfs/dbraw/zinc/57/62/67/508576267.db2.gz ULIUXOPTXYSEJJ-OALUTQOASA-N 1 1 363.502 2.516 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)N[C@H](C)c2csc(CC)n2)C[C@H]1CC ZINC000117049217 508577233 /nfs/dbraw/zinc/57/72/33/508577233.db2.gz ANVYISOHINKHGS-HUUCEWRRSA-N 1 1 368.547 2.909 10 0 FFAEMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128377364 508584171 /nfs/dbraw/zinc/58/41/71/508584171.db2.gz ZXEWMIQSCLSXSV-CXAGYDPISA-N 1 1 356.919 2.987 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117275372 508585901 /nfs/dbraw/zinc/58/59/01/508585901.db2.gz FLHQZRNDGFJWKX-AWEZNQCLSA-N 1 1 358.404 2.817 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117275372 508585903 /nfs/dbraw/zinc/58/59/03/508585903.db2.gz FLHQZRNDGFJWKX-AWEZNQCLSA-N 1 1 358.404 2.817 10 0 FFAEMO CC[C@@H]1CN(C(=O)CCCOc2ccccc2F)CC[N@H+]1CCOC ZINC000117309471 508591559 /nfs/dbraw/zinc/59/15/59/508591559.db2.gz JGFUIUDCMUPDDC-MRXNPFEDSA-N 1 1 352.450 2.554 10 0 FFAEMO CCOc1ccc2cc(C(=O)N3CC[N@H+](CCOC)[C@H](CC)C3)[nH]c2c1 ZINC000117304818 508592113 /nfs/dbraw/zinc/59/21/13/508592113.db2.gz RLVOEHXRDNEVLV-MRXNPFEDSA-N 1 1 359.470 2.749 10 0 FFAEMO CCOc1ccc2cc(C(=O)N3CC[N@@H+](CCOC)[C@H](CC)C3)[nH]c2c1 ZINC000117304818 508592118 /nfs/dbraw/zinc/59/21/18/508592118.db2.gz RLVOEHXRDNEVLV-MRXNPFEDSA-N 1 1 359.470 2.749 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1C ZINC000117440722 508598335 /nfs/dbraw/zinc/59/83/35/508598335.db2.gz LGUYAFRGWIHQLB-AWEZNQCLSA-N 1 1 362.474 2.528 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cccc(NC(C)=O)c2C)C[C@@H]1C ZINC000117440722 508598336 /nfs/dbraw/zinc/59/83/36/508598336.db2.gz LGUYAFRGWIHQLB-AWEZNQCLSA-N 1 1 362.474 2.528 10 0 FFAEMO CC[C@H]1CN(C(=O)NCCc2csc(C(C)C)n2)CC[N@H+]1CCOC ZINC000117490089 508602251 /nfs/dbraw/zinc/60/22/51/508602251.db2.gz CVWRQZZFOKNKJF-INIZCTEOSA-N 1 1 368.547 2.561 10 0 FFAEMO CCc1nc2cc(NC(=O)N3CC[N@@H+](CCOC)[C@@H](CC)C3)ccc2o1 ZINC000118046632 508629648 /nfs/dbraw/zinc/62/96/48/508629648.db2.gz WRPQEVIFDLQYOV-HNNXBMFYSA-N 1 1 360.458 2.965 10 0 FFAEMO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000128891619 508656623 /nfs/dbraw/zinc/65/66/23/508656623.db2.gz IBCRDRUWZQEJIU-HKUYNNGSSA-N 1 1 362.518 2.835 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)CC2)[nH+]1 ZINC000158683559 508739527 /nfs/dbraw/zinc/73/95/27/508739527.db2.gz AKYQFWATAFKPSR-SFHVURJKSA-N 1 1 362.518 2.701 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000137871658 508766391 /nfs/dbraw/zinc/76/63/91/508766391.db2.gz JVRIHCPEXGQLIB-YCPHGPKFSA-N 1 1 357.458 2.826 10 0 FFAEMO COc1c(C[NH+]2CCC(C(=O)c3ccc(OC)cc3)CC2)c(C)nn1C ZINC000124018181 508772348 /nfs/dbraw/zinc/77/23/48/508772348.db2.gz XQTYNCBSFGGJFA-UHFFFAOYSA-N 1 1 357.454 2.841 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cn1 ZINC000158978363 508776256 /nfs/dbraw/zinc/77/62/56/508776256.db2.gz YLMNGNIGISWACM-UHFFFAOYSA-N 1 1 352.442 2.641 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc4[nH]ccc4c3)CC2)cn1 ZINC000158978363 508776259 /nfs/dbraw/zinc/77/62/59/508776259.db2.gz YLMNGNIGISWACM-UHFFFAOYSA-N 1 1 352.442 2.641 10 0 FFAEMO CCc1nnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1C ZINC000159009893 508780086 /nfs/dbraw/zinc/78/00/86/508780086.db2.gz BORACNNUZBALAR-RTBURBONSA-N 1 1 353.514 2.864 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2cc(F)ccc2Br)C1 ZINC000119462504 508800456 /nfs/dbraw/zinc/80/04/56/508800456.db2.gz FQQMAQJDRQPLEV-ABAIWWIYSA-N 1 1 357.267 2.976 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1nc(C(C)(C)C)no1 ZINC000124242501 508802552 /nfs/dbraw/zinc/80/25/52/508802552.db2.gz KIACMYZPIHKQBA-ZIAGYGMSSA-N 1 1 351.495 2.848 10 0 FFAEMO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000140395511 508804277 /nfs/dbraw/zinc/80/42/77/508804277.db2.gz FMIOPMUZNNNTDE-FOIQADDNSA-N 1 1 362.470 2.618 10 0 FFAEMO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000140395511 508804282 /nfs/dbraw/zinc/80/42/82/508804282.db2.gz FMIOPMUZNNNTDE-FOIQADDNSA-N 1 1 362.470 2.618 10 0 FFAEMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000119483670 508805134 /nfs/dbraw/zinc/80/51/34/508805134.db2.gz CEBAJMGGHGZMSN-QWHCGFSZSA-N 1 1 372.435 2.628 10 0 FFAEMO CCC(CC)n1ncc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1C 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352.482 2.788 10 0 FFAEMO CCCOCc1ccccc1CNC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000246086147 510284288 /nfs/dbraw/zinc/28/42/88/510284288.db2.gz NIDSKMKMXAIZBU-NHCUHLMSSA-N 1 1 373.541 2.788 10 0 FFAEMO COCCc1ccc(OCCCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000171657668 510287994 /nfs/dbraw/zinc/28/79/94/510287994.db2.gz NACMAVRPNWZQFJ-LJQANCHMSA-N 1 1 360.498 2.731 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(OC)ccc1Cl ZINC000246098552 510291286 /nfs/dbraw/zinc/29/12/86/510291286.db2.gz HGEDQLWMGRGVBO-OLZOCXBDSA-N 1 1 358.891 2.596 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)CC[N@H+]1C[C@H](C)O ZINC000246103160 510294932 /nfs/dbraw/zinc/29/49/32/510294932.db2.gz NQWIXXYXLJSSIS-OXJNMPFZSA-N 1 1 353.466 2.666 10 0 FFAEMO O=C(NCc1sccc1Br)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171669269 510297711 /nfs/dbraw/zinc/29/77/11/510297711.db2.gz HCCNLLGULKWDNW-LLVKDONJSA-N 1 1 358.305 2.890 10 0 FFAEMO C[C@@H]1CN(C(=O)Nc2ccccc2OCC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000177869859 510300987 /nfs/dbraw/zinc/30/09/87/510300987.db2.gz CRQDUKWACYIALB-CRAIPNDOSA-N 1 1 359.470 2.660 10 0 FFAEMO Cc1cnc(CNC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190720148 510305008 /nfs/dbraw/zinc/30/50/08/510305008.db2.gz DLIIWKRCAWDBDL-MRXNPFEDSA-N 1 1 359.499 2.510 10 0 FFAEMO CC[C@@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CC[N@H+]1C[C@H](C)O ZINC000246126530 510308934 /nfs/dbraw/zinc/30/89/34/510308934.db2.gz BTMHXXBGJWXEJA-GOEBONIOSA-N 1 1 354.441 2.591 10 0 FFAEMO CCOC[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000246127763 510309568 /nfs/dbraw/zinc/30/95/68/510309568.db2.gz DVSYNEDSUAJGGI-DZGCQCFKSA-N 1 1 358.276 2.547 10 0 FFAEMO CCCOc1cc(F)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000181237237 510316183 /nfs/dbraw/zinc/31/61/83/510316183.db2.gz RVJWRZGDSFHTMO-ZBFHGGJFSA-N 1 1 367.465 2.923 10 0 FFAEMO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000246144545 510319267 /nfs/dbraw/zinc/31/92/67/510319267.db2.gz JTKGGMKEOUNOJQ-QYZOEREBSA-N 1 1 362.493 2.697 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000246144545 510319275 /nfs/dbraw/zinc/31/92/75/510319275.db2.gz JTKGGMKEOUNOJQ-QYZOEREBSA-N 1 1 362.493 2.697 10 0 FFAEMO CCC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246157705 510327691 /nfs/dbraw/zinc/32/76/91/510327691.db2.gz QCAWUUVAMDQXPK-SXLOBPIMSA-N 1 1 359.514 2.760 10 0 FFAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc(Br)cc1 ZINC000246157505 510327726 /nfs/dbraw/zinc/32/77/26/510327726.db2.gz HGXYNXGODGNCRP-HNNXBMFYSA-N 1 1 352.276 2.558 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)no1 ZINC000246168267 510334234 /nfs/dbraw/zinc/33/42/34/510334234.db2.gz BZRSDFWMOQYAKF-IFXJQAMLSA-N 1 1 372.444 2.792 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)no1 ZINC000246168267 510334240 /nfs/dbraw/zinc/33/42/40/510334240.db2.gz BZRSDFWMOQYAKF-IFXJQAMLSA-N 1 1 372.444 2.792 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCc4cccnc43)CC2)[nH+]1 ZINC000194382310 510337734 /nfs/dbraw/zinc/33/77/34/510337734.db2.gz LRWAVTLYUOJFJW-GOSISDBHSA-N 1 1 350.466 2.990 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NCc3ccn4ccnc4c3)CC2)[nH+]1 ZINC000177957086 510346253 /nfs/dbraw/zinc/34/62/53/510346253.db2.gz QDXJERXVYVSWJG-UHFFFAOYSA-N 1 1 364.453 2.506 10 0 FFAEMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000194418435 510354248 /nfs/dbraw/zinc/35/42/48/510354248.db2.gz VUWGGKUJNNUADY-GOSISDBHSA-N 1 1 367.497 2.821 10 0 FFAEMO CSCc1ccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000177974449 510354847 /nfs/dbraw/zinc/35/48/47/510354847.db2.gz WBBXULRSZFPGIP-KRWDZBQOSA-N 1 1 372.494 2.684 10 0 FFAEMO Cc1ccc2c(C[N@@H+]3CCCC[C@H](N4CCN(C)CC4)C3)cc(=O)oc2c1 ZINC000174883506 510365083 /nfs/dbraw/zinc/36/50/83/510365083.db2.gz QDVZUEQSBJHHID-IBGZPJMESA-N 1 1 369.509 2.703 10 0 FFAEMO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246209046 510365496 /nfs/dbraw/zinc/36/54/96/510365496.db2.gz AGOLTWHLAWNSTC-CVEARBPZSA-N 1 1 354.376 2.537 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)N3CCC[C@]3(CO)CC(C)C)CC2)[nH+]c1 ZINC000190835752 510367250 /nfs/dbraw/zinc/36/72/50/510367250.db2.gz GEPJGVPABUWOLS-OAQYLSRUSA-N 1 1 374.529 2.941 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCSc2ccc(Cl)cc2)cn1 ZINC000181356328 510371031 /nfs/dbraw/zinc/37/10/31/510371031.db2.gz BDYSTDUKJIQSAB-INIZCTEOSA-N 1 1 364.902 2.729 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cccc(OC3CCCC3)c2)cn1 ZINC000181383256 510383247 /nfs/dbraw/zinc/38/32/47/510383247.db2.gz AOCNFUQAEINWNN-LJQANCHMSA-N 1 1 354.454 2.528 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)no1 ZINC000171823067 510393815 /nfs/dbraw/zinc/39/38/15/510393815.db2.gz DXRMBEVVRKOONX-WMLDXEAASA-N 1 1 358.417 2.577 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccccc4F)C3=O)C2)no1 ZINC000171823067 510393820 /nfs/dbraw/zinc/39/38/20/510393820.db2.gz DXRMBEVVRKOONX-WMLDXEAASA-N 1 1 358.417 2.577 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)C[C@@H]1C ZINC000174952522 510401194 /nfs/dbraw/zinc/40/11/94/510401194.db2.gz BXWLGKCPIVEUCH-KRWDZBQOSA-N 1 1 357.498 2.978 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)CCc2c[nH]c3ccc(C)cc23)C[C@@H]1C ZINC000174952522 510401202 /nfs/dbraw/zinc/40/12/02/510401202.db2.gz BXWLGKCPIVEUCH-KRWDZBQOSA-N 1 1 357.498 2.978 10 0 FFAEMO C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)NC(=O)Nc1ccccc1F ZINC000194510035 510401301 /nfs/dbraw/zinc/40/13/01/510401301.db2.gz MKFHMAHINLFPII-LBPRGKRZSA-N 1 1 356.401 2.920 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(CCC(F)(F)F)cc2)cn1 ZINC000181440398 510409417 /nfs/dbraw/zinc/40/94/17/510409417.db2.gz JDPBNUMQYLJNPV-MRXNPFEDSA-N 1 1 366.387 2.702 10 0 FFAEMO O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000246296751 510411898 /nfs/dbraw/zinc/41/18/98/510411898.db2.gz WCCXRXWFMZPZFY-OALUTQOASA-N 1 1 352.906 2.778 10 0 FFAEMO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000246296751 510411904 /nfs/dbraw/zinc/41/19/04/510411904.db2.gz WCCXRXWFMZPZFY-OALUTQOASA-N 1 1 352.906 2.778 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000174981344 510418036 /nfs/dbraw/zinc/41/80/36/510418036.db2.gz MFTUXLIJEYJRRQ-DLBZAZTESA-N 1 1 352.438 2.968 10 0 FFAEMO CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000190939697 510424362 /nfs/dbraw/zinc/42/43/62/510424362.db2.gz UMJPKCNBCGWHGX-CSLYMUCUSA-N 1 1 353.484 2.606 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sc(-c2ncccn2)nc1C ZINC000174991033 510424719 /nfs/dbraw/zinc/42/47/19/510424719.db2.gz XRZCGCZLAKTBJS-UONOGXRCSA-N 1 1 357.483 2.607 10 0 FFAEMO Cc1cc(C)n(-c2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2F)n1 ZINC000171890726 510431739 /nfs/dbraw/zinc/43/17/39/510431739.db2.gz FANMOXSGXVCVLF-INIZCTEOSA-N 1 1 357.433 2.940 10 0 FFAEMO CC(C)n1nnnc1-c1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000184639814 510433493 /nfs/dbraw/zinc/43/34/93/510433493.db2.gz NLTMUWUZXAIDTI-YOEHRIQHSA-N 1 1 371.489 2.771 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000175009015 510434220 /nfs/dbraw/zinc/43/42/20/510434220.db2.gz AXSRFBMISCOACH-UONOGXRCSA-N 1 1 357.376 2.722 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000246341434 510435280 /nfs/dbraw/zinc/43/52/80/510435280.db2.gz VOHIUSVXDHWXSV-SUMWQHHRSA-N 1 1 355.438 2.735 10 0 FFAEMO C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000171897899 510437837 /nfs/dbraw/zinc/43/78/37/510437837.db2.gz JNNLKGKYGMARAS-IUODEOHRSA-N 1 1 352.276 3.000 10 0 FFAEMO CC[C@@H]1CN(C(=O)[C@@H](C)CSCc2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000246341767 510436134 /nfs/dbraw/zinc/43/61/34/510436134.db2.gz DWEMVWLABAADOY-JENIJYKNSA-N 1 1 364.555 2.860 10 0 FFAEMO O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171894961 510436155 /nfs/dbraw/zinc/43/61/55/510436155.db2.gz IUNNFCNMMYJSLN-HOTGVXAUSA-N 1 1 363.433 2.695 10 0 FFAEMO C[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000171897898 510438277 /nfs/dbraw/zinc/43/82/77/510438277.db2.gz JNNLKGKYGMARAS-SWLSCSKDSA-N 1 1 352.276 3.000 10 0 FFAEMO CCOc1ccc(-c2nc(CN3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)co2)cc1 ZINC000246347240 510440205 /nfs/dbraw/zinc/44/02/05/510440205.db2.gz FHWOMWPJLMIEAY-HOTGVXAUSA-N 1 1 359.470 2.627 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)C1 ZINC000246364511 510448793 /nfs/dbraw/zinc/44/87/93/510448793.db2.gz GKRSAIISNVEYFX-MUIFIZLQSA-N 1 1 351.516 2.948 10 0 FFAEMO COc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246407821 510472352 /nfs/dbraw/zinc/47/23/52/510472352.db2.gz BHHLHJCSXFNLOX-JXFKEZNVSA-N 1 1 357.498 2.973 10 0 FFAEMO COc1cccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246407821 510472362 /nfs/dbraw/zinc/47/23/62/510472362.db2.gz BHHLHJCSXFNLOX-JXFKEZNVSA-N 1 1 357.498 2.973 10 0 FFAEMO COc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246407821 510472371 /nfs/dbraw/zinc/47/23/71/510472371.db2.gz BHHLHJCSXFNLOX-JXFKEZNVSA-N 1 1 357.498 2.973 10 0 FFAEMO COc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246407821 510472375 /nfs/dbraw/zinc/47/23/75/510472375.db2.gz BHHLHJCSXFNLOX-JXFKEZNVSA-N 1 1 357.498 2.973 10 0 FFAEMO COC(=O)Nc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1F ZINC000246446101 510494241 /nfs/dbraw/zinc/49/42/41/510494241.db2.gz OHFYHZZCRIMWQU-IAQYHMDHSA-N 1 1 352.410 2.854 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000181605299 510496363 /nfs/dbraw/zinc/49/63/63/510496363.db2.gz SIXGLMJYCIWYLY-HZPDHXFCSA-N 1 1 365.499 2.571 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000246459132 510500798 /nfs/dbraw/zinc/50/07/98/510500798.db2.gz WITBTPUXWCFRDE-KONPQCLYSA-N 1 1 362.543 2.827 10 0 FFAEMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769176 510508552 /nfs/dbraw/zinc/50/85/52/510508552.db2.gz LZGTTXQHIMMHBJ-RHSMWYFYSA-N 1 1 366.469 2.807 10 0 FFAEMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769216 510508707 /nfs/dbraw/zinc/50/87/07/510508707.db2.gz LZGTTXQHIMMHBJ-PBHICJAKSA-N 1 1 366.469 2.807 10 0 FFAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@H]2c3ccccc3NC2=O)C1 ZINC000246495588 510522110 /nfs/dbraw/zinc/52/21/10/510522110.db2.gz SYLCHLJVGVQLAY-WBVHZDCISA-N 1 1 358.486 2.532 10 0 FFAEMO O=C1[C@H](N2CC[N@H+]3CCC[C@@H]3C2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000172072609 510528839 /nfs/dbraw/zinc/52/88/39/510528839.db2.gz IVDMTIMKAGXEPJ-HZPDHXFCSA-N 1 1 353.388 2.591 10 0 FFAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NCCCOC1CCCCC1 ZINC000178308284 510538181 /nfs/dbraw/zinc/53/81/81/510538181.db2.gz NIFUMAMLOUPESR-SFHVURJKSA-N 1 1 362.518 2.512 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCC(C)(C)c2ccc(F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000181701186 510546366 /nfs/dbraw/zinc/54/63/66/510546366.db2.gz GWSDJEMOOIFYHM-CRAIPNDOSA-N 1 1 365.493 2.590 10 0 FFAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000194827555 510546531 /nfs/dbraw/zinc/54/65/31/510546531.db2.gz JEOZODAVQALPAQ-LXTVHRRPSA-N 1 1 365.440 2.858 10 0 FFAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000194827555 510546540 /nfs/dbraw/zinc/54/65/40/510546540.db2.gz JEOZODAVQALPAQ-LXTVHRRPSA-N 1 1 365.440 2.858 10 0 FFAEMO COc1ccc(Br)c(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246541257 510546770 /nfs/dbraw/zinc/54/67/70/510546770.db2.gz GKVZHAUOVYSOCH-OCCSQVGLSA-N 1 1 367.287 2.695 10 0 FFAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178329325 510547732 /nfs/dbraw/zinc/54/77/32/510547732.db2.gz DUIRGFIFUVWENN-VDZJLULYSA-N 1 1 368.481 2.684 10 0 FFAEMO CC[C@H]1CN(C(=O)NCc2ccc3ccccc3c2)CC[N@H+]1C[C@@H](C)O ZINC000181711673 510552752 /nfs/dbraw/zinc/55/27/52/510552752.db2.gz GZFOPDAMRNBSKI-UZLBHIALSA-N 1 1 355.482 2.826 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)NCc2cccc3cccnc32)C[C@H]1CC ZINC000172129403 510559608 /nfs/dbraw/zinc/55/96/08/510559608.db2.gz PVSFWHQMTIBNRB-LJQANCHMSA-N 1 1 370.497 2.877 10 0 FFAEMO CCCCN(C)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246579160 510566956 /nfs/dbraw/zinc/56/69/56/510566956.db2.gz TXINQBJUUZXGII-WMZOPIPTSA-N 1 1 353.532 2.606 10 0 FFAEMO COc1ccc(Br)cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246598981 510576845 /nfs/dbraw/zinc/57/68/45/510576845.db2.gz XGUVUGAEQOMBOA-CZUORRHYSA-N 1 1 369.303 2.610 10 0 FFAEMO COc1ccc(Br)cc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246598981 510576850 /nfs/dbraw/zinc/57/68/50/510576850.db2.gz XGUVUGAEQOMBOA-CZUORRHYSA-N 1 1 369.303 2.610 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000181814255 510608060 /nfs/dbraw/zinc/60/80/60/510608060.db2.gz YENSIFNEIRWYPW-DOTOQJQBSA-N 1 1 372.469 2.501 10 0 FFAEMO CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000181825390 510612499 /nfs/dbraw/zinc/61/24/99/510612499.db2.gz XXXWGTBAUSOECD-YWZLYKJASA-N 1 1 365.518 2.767 10 0 FFAEMO CCCC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246685037 510616073 /nfs/dbraw/zinc/61/60/73/510616073.db2.gz DLZMJHYKZXKMGX-QRQLOZEOSA-N 1 1 362.518 2.796 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000175377632 510616329 /nfs/dbraw/zinc/61/63/29/510616329.db2.gz YRLRMKYCABJGBT-KRWDZBQOSA-N 1 1 370.453 2.794 10 0 FFAEMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246688928 510618187 /nfs/dbraw/zinc/61/81/87/510618187.db2.gz WKNVQQNZRILUFY-VAMGGRTRSA-N 1 1 371.525 2.572 10 0 FFAEMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246693910 510621843 /nfs/dbraw/zinc/62/18/43/510621843.db2.gz RNLPVHGTQIXAJJ-HZPDHXFCSA-N 1 1 374.437 2.823 10 0 FFAEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1OC ZINC000246693910 510621846 /nfs/dbraw/zinc/62/18/46/510621846.db2.gz RNLPVHGTQIXAJJ-HZPDHXFCSA-N 1 1 374.437 2.823 10 0 FFAEMO CC[C@H](Oc1cccc(C)c1)C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175407311 510631369 /nfs/dbraw/zinc/63/13/69/510631369.db2.gz WRZPEDQIXGZYFO-FPOVZHCZSA-N 1 1 373.541 2.781 10 0 FFAEMO COc1cccc(C)c1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000195027632 510637173 /nfs/dbraw/zinc/63/71/73/510637173.db2.gz KAYQHPXUGDFGHR-SFHVURJKSA-N 1 1 369.465 2.544 10 0 FFAEMO COc1cc2c(cc1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)O[C@@H](C)C2 ZINC000246748522 510652044 /nfs/dbraw/zinc/65/20/44/510652044.db2.gz XGPZTRZANNCHAF-JKIFEVAISA-N 1 1 361.486 2.547 10 0 FFAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@@H]1C ZINC000246754816 510655036 /nfs/dbraw/zinc/65/50/36/510655036.db2.gz OFEXUDIMKKQFSP-ROUUACIJSA-N 1 1 368.477 2.793 10 0 FFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C[C@@H]1C ZINC000246754816 510655045 /nfs/dbraw/zinc/65/50/45/510655045.db2.gz OFEXUDIMKKQFSP-ROUUACIJSA-N 1 1 368.477 2.793 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000178545620 510656405 /nfs/dbraw/zinc/65/64/05/510656405.db2.gz KEKZDGDXLXQZLY-UHFFFAOYSA-N 1 1 363.465 2.630 10 0 FFAEMO CCc1c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000195071515 510657362 /nfs/dbraw/zinc/65/73/62/510657362.db2.gz HAWZTVFLNHOUFQ-KRWDZBQOSA-N 1 1 356.445 2.884 10 0 FFAEMO CCc1c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cnn1-c1ccc(F)cc1 ZINC000195071515 510657371 /nfs/dbraw/zinc/65/73/71/510657371.db2.gz HAWZTVFLNHOUFQ-KRWDZBQOSA-N 1 1 356.445 2.884 10 0 FFAEMO CCN(C(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C)c1nc2ccccc2s1 ZINC000246758255 510658310 /nfs/dbraw/zinc/65/83/10/510658310.db2.gz AKRARTISLFIXHF-HUUCEWRRSA-N 1 1 358.511 2.818 10 0 FFAEMO COC(=O)c1ccc(F)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000181921071 510661611 /nfs/dbraw/zinc/66/16/11/510661611.db2.gz RNQOYCVDKMJJDI-INIZCTEOSA-N 1 1 358.417 2.503 10 0 FFAEMO C[C@H](O)C[N@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)C[C@H]1C ZINC000246782061 510671577 /nfs/dbraw/zinc/67/15/77/510671577.db2.gz PZBAXIPKAKMJSX-SJORKVTESA-N 1 1 371.481 2.578 10 0 FFAEMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000172347450 510682118 /nfs/dbraw/zinc/68/21/18/510682118.db2.gz LQAAVVQSAWLEJL-ZDUSSCGKSA-N 1 1 353.413 2.785 10 0 FFAEMO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000172346997 510683436 /nfs/dbraw/zinc/68/34/36/510683436.db2.gz HJCQCBILQJFUBH-CYBMUJFWSA-N 1 1 366.303 2.946 10 0 FFAEMO O[C@@H](COc1ccccc1F)C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000178608105 510685897 /nfs/dbraw/zinc/68/58/97/510685897.db2.gz FPWBJFXMFBOPOX-OAHLLOKOSA-N 1 1 371.412 2.529 10 0 FFAEMO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246887742 510728336 /nfs/dbraw/zinc/72/83/36/510728336.db2.gz TXAVGJVESTYFGZ-IRFCIJBXSA-N 1 1 372.557 2.990 10 0 FFAEMO CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000182064877 510737352 /nfs/dbraw/zinc/73/73/52/510737352.db2.gz KVOAYVOAMSWTDN-YLJYHZDGSA-N 1 1 361.530 2.810 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000175694513 510738240 /nfs/dbraw/zinc/73/82/40/510738240.db2.gz NJYYTJHQZDDSHT-GOSISDBHSA-N 1 1 368.485 2.561 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740459 /nfs/dbraw/zinc/74/04/59/510740459.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 1 1 364.559 2.608 10 0 FFAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740468 /nfs/dbraw/zinc/74/04/68/510740468.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 1 1 364.559 2.608 10 0 FFAEMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000195257141 510740474 /nfs/dbraw/zinc/74/04/74/510740474.db2.gz QZDUUJTYWHCWJV-KRWDZBQOSA-N 1 1 364.559 2.608 10 0 FFAEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)nn1 ZINC000246921948 510747217 /nfs/dbraw/zinc/74/72/17/510747217.db2.gz ANSNIKAKKQEARN-GDAAHCPNSA-N 1 1 373.545 2.627 10 0 FFAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)nn1 ZINC000246921948 510747224 /nfs/dbraw/zinc/74/72/24/510747224.db2.gz ANSNIKAKKQEARN-GDAAHCPNSA-N 1 1 373.545 2.627 10 0 FFAEMO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)nn1 ZINC000246922003 510747629 /nfs/dbraw/zinc/74/76/29/510747629.db2.gz ANSNIKAKKQEARN-NXWXRZEISA-N 1 1 373.545 2.627 10 0 FFAEMO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)nn1 ZINC000246922003 510747631 /nfs/dbraw/zinc/74/76/31/510747631.db2.gz ANSNIKAKKQEARN-NXWXRZEISA-N 1 1 373.545 2.627 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1nc2ccccc2s1 ZINC000178745490 510749967 /nfs/dbraw/zinc/74/99/67/510749967.db2.gz VVLGENQATHOSAO-CQSZACIVSA-N 1 1 355.467 2.904 10 0 FFAEMO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)c(Cl)c1 ZINC000175715764 510750473 /nfs/dbraw/zinc/75/04/73/510750473.db2.gz XZGMPKXDXYSOBZ-IGCXYCKISA-N 1 1 369.868 2.902 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000175736544 510762905 /nfs/dbraw/zinc/76/29/05/510762905.db2.gz YPIALPBPOBHYDU-GOSISDBHSA-N 1 1 368.485 2.561 10 0 FFAEMO Brc1cc2c(cc1C[N@@H+]1CCS[C@H]3COCC[C@H]31)OCO2 ZINC000246951639 510764892 /nfs/dbraw/zinc/76/48/92/510764892.db2.gz NXKVMXALGXNASD-DOMZBBRYSA-N 1 1 372.284 2.884 10 0 FFAEMO Brc1cc2c(cc1C[N@H+]1CCS[C@H]3COCC[C@H]31)OCO2 ZINC000246951639 510764897 /nfs/dbraw/zinc/76/48/97/510764897.db2.gz NXKVMXALGXNASD-DOMZBBRYSA-N 1 1 372.284 2.884 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000195293265 510765921 /nfs/dbraw/zinc/76/59/21/510765921.db2.gz CHSNNUUQDVQTKA-PZJWPPBQSA-N 1 1 364.493 2.641 10 0 FFAEMO O=C(NC[C@@H](O)c1ccsc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246977162 510779620 /nfs/dbraw/zinc/77/96/20/510779620.db2.gz QRHFBCIBZWNEDT-PKOBYXMFSA-N 1 1 373.522 2.645 10 0 FFAEMO O=C(COc1ccc(Br)cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195316964 510780946 /nfs/dbraw/zinc/78/09/46/510780946.db2.gz CLHIVQWKXDHJIQ-LBPRGKRZSA-N 1 1 373.678 2.788 10 0 FFAEMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246984763 510783524 /nfs/dbraw/zinc/78/35/24/510783524.db2.gz JSKJGIHMVRABHH-RHSMWYFYSA-N 1 1 370.474 2.932 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)C[C@H]1C ZINC000246987647 510785344 /nfs/dbraw/zinc/78/53/44/510785344.db2.gz MHUHCTWISBYEBM-CVEARBPZSA-N 1 1 366.527 2.745 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)C[C@H]1C ZINC000246987647 510785352 /nfs/dbraw/zinc/78/53/52/510785352.db2.gz MHUHCTWISBYEBM-CVEARBPZSA-N 1 1 366.527 2.745 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1c(CSC)nc2ccccc21 ZINC000246988403 510785490 /nfs/dbraw/zinc/78/54/90/510785490.db2.gz PAHIUNPRDTXWPD-HOTGVXAUSA-N 1 1 372.538 2.985 10 0 FFAEMO Cc1csc([C@@H]2CCC[N@H+](Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000195328704 510786591 /nfs/dbraw/zinc/78/65/91/510786591.db2.gz SNIJZIQJNDLCDQ-GFCCVEGCSA-N 1 1 361.496 2.604 10 0 FFAEMO Cc1csc([C@@H]2CCC[N@@H+](Cc3nn4c(nc(C)cc4=O)s3)C2)n1 ZINC000195328704 510786595 /nfs/dbraw/zinc/78/65/95/510786595.db2.gz SNIJZIQJNDLCDQ-GFCCVEGCSA-N 1 1 361.496 2.604 10 0 FFAEMO CCN(C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246993050 510786930 /nfs/dbraw/zinc/78/69/30/510786930.db2.gz LMDRUDKBZUJFFS-DOTOQJQBSA-N 1 1 358.461 2.958 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C)N(C)c1ccccc1 ZINC000175779581 510787140 /nfs/dbraw/zinc/78/71/40/510787140.db2.gz KBMZZLLJTJDTKO-APWZRJJASA-N 1 1 355.486 2.890 10 0 FFAEMO C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3nc4ccc(F)cc4s3)CC[C@H]21 ZINC000246994742 510789051 /nfs/dbraw/zinc/78/90/51/510789051.db2.gz PKABNPZIVGGXBU-IUODEOHRSA-N 1 1 362.474 2.790 10 0 FFAEMO CCc1nc([C@@H](C)NC(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)cs1 ZINC000246997668 510790022 /nfs/dbraw/zinc/79/00/22/510790022.db2.gz GMKISKVDBOMFGF-KGLIPLIRSA-N 1 1 354.520 2.519 10 0 FFAEMO O=C1[C@@H]([NH+]2CCC(n3cncn3)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000182178449 510798540 /nfs/dbraw/zinc/79/85/40/510798540.db2.gz RFGYMDUOSXVGID-INIZCTEOSA-N 1 1 363.824 2.513 10 0 FFAEMO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247016069 510800870 /nfs/dbraw/zinc/80/08/70/510800870.db2.gz FXOQFLUUZDREMY-ZTNFWEORSA-N 1 1 353.466 2.646 10 0 FFAEMO O[C@@H](CNCc1ccc(Br)o1)C[N@H+]1CCc2ccccc2C1 ZINC000178901335 510828060 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MTTUJBGCTRCIJB-KSSFIOAISA-N 1 1 354.454 2.728 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)NCCc2cccnc2)C1 ZINC000190689747 510287590 /nfs/dbraw/zinc/28/75/90/510287590.db2.gz DQSBGRXRPMLOCO-QGZVFWFLSA-N 1 1 373.526 2.553 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C)n2)C1 ZINC000190698299 510292284 /nfs/dbraw/zinc/29/22/84/510292284.db2.gz QOEFNJAGHMNCEU-INIZCTEOSA-N 1 1 373.526 2.818 10 0 FFAEMO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)C2)n1 ZINC000246103329 510295834 /nfs/dbraw/zinc/29/58/34/510295834.db2.gz IFOCPQVYFQZKGG-AEFFLSMTSA-N 1 1 370.472 2.968 10 0 FFAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)C2)n1 ZINC000246103329 510295838 /nfs/dbraw/zinc/29/58/38/510295838.db2.gz IFOCPQVYFQZKGG-AEFFLSMTSA-N 1 1 370.472 2.968 10 0 FFAEMO C[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000246134566 510313858 /nfs/dbraw/zinc/31/38/58/510313858.db2.gz KYNVQFMKWHKKJG-HCXYKTFWSA-N 1 1 350.551 2.623 10 0 FFAEMO 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FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)/C=C/c2c(Cl)cccc2Cl)cn1 ZINC000181407903 510393905 /nfs/dbraw/zinc/39/39/05/510393905.db2.gz ZAMRXZTZIQFVQN-JFDDCEBESA-N 1 1 365.264 2.913 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccn(Cc3ccccc3)c2=O)C1 ZINC000246321882 510425953 /nfs/dbraw/zinc/42/59/53/510425953.db2.gz FNUIRVHFLXYYLW-QFBILLFUSA-N 1 1 368.481 2.747 10 0 FFAEMO CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000184627755 510426703 /nfs/dbraw/zinc/42/67/03/510426703.db2.gz OZZOJOQSKBXTTE-OAHLLOKOSA-N 1 1 369.473 2.623 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(C(=O)NCc3ccc4ncccc4c3)CC2)CCO1 ZINC000194570223 510427559 /nfs/dbraw/zinc/42/75/59/510427559.db2.gz TVYQOAUYNHCIEB-INIZCTEOSA-N 1 1 368.481 2.630 10 0 FFAEMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246328892 510429387 /nfs/dbraw/zinc/42/93/87/510429387.db2.gz DNPOEZKCIDUVFO-HKUYNNGSSA-N 1 1 359.514 2.709 10 0 FFAEMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246328892 510429390 /nfs/dbraw/zinc/42/93/90/510429390.db2.gz DNPOEZKCIDUVFO-HKUYNNGSSA-N 1 1 359.514 2.709 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C)cc3C)CC2)[nH+]c1 ZINC000175012286 510435859 /nfs/dbraw/zinc/43/58/59/510435859.db2.gz DVZJTYSVVHPABG-UHFFFAOYSA-N 1 1 366.465 2.731 10 0 FFAEMO C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171904735 510443285 /nfs/dbraw/zinc/44/32/85/510443285.db2.gz KXRKSMSMORSBPL-XJKSGUPXSA-N 1 1 366.303 2.870 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC(=O)NC(C)C)cc1 ZINC000175026773 510445423 /nfs/dbraw/zinc/44/54/23/510445423.db2.gz NEPXJOFAUKKCFU-QZTJIDSGSA-N 1 1 358.486 2.915 10 0 FFAEMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cc3ccccc3C(N)=O)c2C1 ZINC000190982841 510450240 /nfs/dbraw/zinc/45/02/40/510450240.db2.gz IOBYDSLFMRDFAE-UHFFFAOYSA-N 1 1 351.450 2.938 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)Oc2cccc(C=O)c2)C1 ZINC000171929957 510456092 /nfs/dbraw/zinc/45/60/92/510456092.db2.gz FSPPWDKAKGIHKA-WBVHZDCISA-N 1 1 355.438 2.889 10 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2.961 10 0 FFAEMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769237 510509137 /nfs/dbraw/zinc/50/91/37/510509137.db2.gz LZGTTXQHIMMHBJ-YOEHRIQHSA-N 1 1 366.469 2.807 10 0 FFAEMO Cc1c(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cccc1N1CCOC1=O ZINC000246482977 510514187 /nfs/dbraw/zinc/51/41/87/510514187.db2.gz OXPGMMYUIOPCRR-UKRRQHHQSA-N 1 1 358.442 2.652 10 0 FFAEMO CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000172052044 510517040 /nfs/dbraw/zinc/51/70/40/510517040.db2.gz GCETVKDMGDWRQX-AZUAARDMSA-N 1 1 354.498 2.765 10 0 FFAEMO CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000172052044 510517049 /nfs/dbraw/zinc/51/70/49/510517049.db2.gz GCETVKDMGDWRQX-AZUAARDMSA-N 1 1 354.498 2.765 10 0 FFAEMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2ccnc2C)c(OC)c1 ZINC000178284424 510525744 /nfs/dbraw/zinc/52/57/44/510525744.db2.gz OLPCEIORJBKVIT-HOCLYGCPSA-N 1 1 372.469 2.700 10 0 FFAEMO CCN(Cc1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)C(C)=O 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258145158 /nfs/dbraw/zinc/14/51/58/258145158.db2.gz JFCCPQKCDZWWKB-ZUZCIYMTSA-N 1 1 365.817 2.943 10 0 FFAEMO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)sc1C ZINC000329724962 258145847 /nfs/dbraw/zinc/14/58/47/258145847.db2.gz GCPFHWOXJWIFCM-HOTGVXAUSA-N 1 1 373.526 2.868 10 0 FFAEMO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000332930815 258243730 /nfs/dbraw/zinc/24/37/30/258243730.db2.gz VCFQMHNVRIGCNE-POAQFYNOSA-N 1 1 368.481 2.973 10 0 FFAEMO C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[NH2+]C[C@](C)(F)C3)n2)C1 ZINC000333131858 258251612 /nfs/dbraw/zinc/25/16/12/258251612.db2.gz JRALGRZKRHKCIG-DYVFJYSZSA-N 1 1 369.510 2.540 10 0 FFAEMO CCn1c(=O)cc(SCC(=O)NC[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000003958797 506353616 /nfs/dbraw/zinc/35/36/16/506353616.db2.gz IVCJAOMAFJTWNF-HNNXBMFYSA-N 1 1 373.522 2.714 10 0 FFAEMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1C)C[C@@H]1CCCO1 ZINC000036099135 506396075 /nfs/dbraw/zinc/39/60/75/506396075.db2.gz PIBMLWXIJJTMGQ-PMACEKPBSA-N 1 1 358.482 2.754 10 0 FFAEMO COCCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1 ZINC000036095205 506396130 /nfs/dbraw/zinc/39/61/30/506396130.db2.gz OJXWZCKFRZEVGN-LJQANCHMSA-N 1 1 359.466 2.974 10 0 FFAEMO CCC[N@@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@H](O)COCC ZINC000036313199 506402605 /nfs/dbraw/zinc/40/26/05/506402605.db2.gz BNILVRQFKUPDGG-ZDUSSCGKSA-N 1 1 367.515 2.717 10 0 FFAEMO CCC[N@H+](Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@H](O)COCC ZINC000036313199 506402613 /nfs/dbraw/zinc/40/26/13/506402613.db2.gz BNILVRQFKUPDGG-ZDUSSCGKSA-N 1 1 367.515 2.717 10 0 FFAEMO COC(=O)[C@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000008681447 506661992 /nfs/dbraw/zinc/66/19/92/506661992.db2.gz BLGXFZZNTVWLAY-MQPLHJKPSA-N 1 1 354.450 2.647 10 0 biogenic FFAEMO COC(=O)[C@H]1[C@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000008681447 506661999 /nfs/dbraw/zinc/66/19/99/506661999.db2.gz BLGXFZZNTVWLAY-MQPLHJKPSA-N 1 1 354.450 2.647 10 0 biogenic FFAEMO Cc1nc2ncccn2c1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000012446007 506866367 /nfs/dbraw/zinc/86/63/67/506866367.db2.gz UXSYVHUPXIBKRB-SFHVURJKSA-N 1 1 363.465 2.774 10 0 FFAEMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OCc1ccccc1 ZINC000013472733 506943541 /nfs/dbraw/zinc/94/35/41/506943541.db2.gz NEBFMAAUKXSAAC-UHFFFAOYSA-N 1 1 366.421 2.828 10 0 FFAEMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000067781547 507007740 /nfs/dbraw/zinc/00/77/40/507007740.db2.gz SHRIRZAVNSRCOQ-IBGZPJMESA-N 1 1 369.440 2.935 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(I)cc2)C1 ZINC000048769467 507562041 /nfs/dbraw/zinc/56/20/41/507562041.db2.gz ZWOIGUZFKWMKGX-CYBMUJFWSA-N 1 1 373.238 2.897 10 0 FFAEMO O=C(NCc1sccc1Br)N1CCC[N@H+](C2CC2)CC1 ZINC000064229132 507786132 /nfs/dbraw/zinc/78/61/32/507786132.db2.gz DPHBMUIYLJSVNQ-UHFFFAOYSA-N 1 1 358.305 2.890 10 0 FFAEMO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)no1 ZINC000052403381 507808019 /nfs/dbraw/zinc/80/80/19/507808019.db2.gz JXQIFPKANWINES-HNNXBMFYSA-N 1 1 365.380 2.645 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000052594815 507815255 /nfs/dbraw/zinc/81/52/55/507815255.db2.gz UHVIBDBPVCMVJF-DLBZAZTESA-N 1 1 359.470 2.789 10 0 FFAEMO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106911691 507828371 /nfs/dbraw/zinc/82/83/71/507828371.db2.gz VEHAEJLLXHQYIZ-KXBFYZLASA-N 1 1 369.465 2.771 10 0 FFAEMO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)o1 ZINC000107253220 507839973 /nfs/dbraw/zinc/83/99/73/507839973.db2.gz KVGAUWOOMUZGHV-FOMSVSHPSA-N 1 1 368.481 2.884 10 0 FFAEMO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)o1 ZINC000107253220 507839975 /nfs/dbraw/zinc/83/99/75/507839975.db2.gz KVGAUWOOMUZGHV-FOMSVSHPSA-N 1 1 368.481 2.884 10 0 FFAEMO CCn1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1=O ZINC000072733224 507848639 /nfs/dbraw/zinc/84/86/39/507848639.db2.gz SXHQKHIPOFVWOF-LJQANCHMSA-N 1 1 368.481 2.997 10 0 FFAEMO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000078265062 507852449 /nfs/dbraw/zinc/85/24/49/507852449.db2.gz JJPASASMSLTXAV-ZWKOTPCHSA-N 1 1 362.514 2.585 10 0 FFAEMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000108450975 507894909 /nfs/dbraw/zinc/89/49/09/507894909.db2.gz DVWGQAYBFHRUFR-OAHLLOKOSA-N 1 1 352.417 2.685 10 0 FFAEMO CCc1noc(C)c1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000108602087 507907490 /nfs/dbraw/zinc/90/74/90/507907490.db2.gz DOETWCMKRIOCPU-UHFFFAOYSA-N 1 1 370.497 2.613 10 0 FFAEMO CNC(=O)c1ccc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)cc1 ZINC000109005600 507931476 /nfs/dbraw/zinc/93/14/76/507931476.db2.gz AYUROWWTZIUUCZ-UHFFFAOYSA-N 1 1 358.511 2.519 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090773297 507935391 /nfs/dbraw/zinc/93/53/91/507935391.db2.gz NJSMHNSYNZSGFJ-FUHWJXTLSA-N 1 1 367.559 2.708 10 0 FFAEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000090773297 507935395 /nfs/dbraw/zinc/93/53/95/507935395.db2.gz NJSMHNSYNZSGFJ-FUHWJXTLSA-N 1 1 367.559 2.708 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3sccc3-n3cccc3)CC2)cn1 ZINC000109657683 507976815 /nfs/dbraw/zinc/97/68/15/507976815.db2.gz JFXDDSHVOQZPOK-UHFFFAOYSA-N 1 1 369.494 2.620 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(C(=O)c3sccc3-n3cccc3)CC2)cn1 ZINC000109657683 507976818 /nfs/dbraw/zinc/97/68/18/507976818.db2.gz JFXDDSHVOQZPOK-UHFFFAOYSA-N 1 1 369.494 2.620 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)COc3c(C)cccc3C)CC2)cn1 ZINC000109660252 507977145 /nfs/dbraw/zinc/97/71/45/507977145.db2.gz UJQQBEJFYLZZFF-UHFFFAOYSA-N 1 1 370.497 2.633 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)COc3c(C)cccc3C)CC2)cn1 ZINC000109660252 507977147 /nfs/dbraw/zinc/97/71/47/507977147.db2.gz UJQQBEJFYLZZFF-UHFFFAOYSA-N 1 1 370.497 2.633 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc(OCCOC)c2)C1 ZINC000109675369 507979681 /nfs/dbraw/zinc/97/96/81/507979681.db2.gz KXDQWMKWZBXKBF-QGZVFWFLSA-N 1 1 357.454 2.948 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)on2)C1 ZINC000109677889 507980124 /nfs/dbraw/zinc/98/01/24/507980124.db2.gz DAUZMQHIQDKXSM-OAHLLOKOSA-N 1 1 351.410 2.973 10 0 FFAEMO Cc1ccc(NC(=O)[C@H](C)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000109755121 507984792 /nfs/dbraw/zinc/98/47/92/507984792.db2.gz ABUAJSXIEQAGRC-VQTJNVASSA-N 1 1 372.557 2.732 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(I)cc1 ZINC000091439548 507985585 /nfs/dbraw/zinc/98/55/85/507985585.db2.gz IZLPALZPXLHSGO-IUODEOHRSA-N 1 1 356.251 2.960 10 0 FFAEMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)cccc1OC(F)F ZINC000110092258 508006513 /nfs/dbraw/zinc/00/65/13/508006513.db2.gz KENALBKTPOPQFA-CYBMUJFWSA-N 1 1 357.401 2.829 10 0 FFAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC3(c4ccccc4)CC3)C2)CC1 ZINC000091845061 508018283 /nfs/dbraw/zinc/01/82/83/508018283.db2.gz RNQARTCPLCFLBO-HXUWFJFHSA-N 1 1 370.541 2.530 10 0 FFAEMO C[C@H](CNC(=O)c1ccc(-c2ncon2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110351649 508023368 /nfs/dbraw/zinc/02/33/68/508023368.db2.gz AVAXGKASLYJZLU-OAHLLOKOSA-N 1 1 350.422 2.987 10 0 FFAEMO CCOC(=O)c1nn(-c2ccccc2)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000092616061 508088025 /nfs/dbraw/zinc/08/80/25/508088025.db2.gz XWOKRSWEPVISBL-LJQANCHMSA-N 1 1 368.481 2.719 10 0 FFAEMO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000092708358 508096524 /nfs/dbraw/zinc/09/65/24/508096524.db2.gz XJVWXKASDOVKRK-QGZVFWFLSA-N 1 1 374.481 2.891 10 0 FFAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1 ZINC000092708358 508096528 /nfs/dbraw/zinc/09/65/28/508096528.db2.gz XJVWXKASDOVKRK-QGZVFWFLSA-N 1 1 374.481 2.891 10 0 FFAEMO Cc1sc(NC(=O)CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)c1C ZINC000075644891 508125139 /nfs/dbraw/zinc/12/51/39/508125139.db2.gz DBXJCYNNRFXMHS-ZDUSSCGKSA-N 1 1 365.543 2.797 10 0 FFAEMO Cc1cnn([C@H]2CCCN(C(=O)NCCCNc3ccc(C)c[nH+]3)C2)c1 ZINC000111823114 508126770 /nfs/dbraw/zinc/12/67/70/508126770.db2.gz YMTAIQHJZWBPBI-KRWDZBQOSA-N 1 1 356.474 2.744 10 0 FFAEMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](c3nccs3)C2)C1 ZINC000111838128 508127627 /nfs/dbraw/zinc/12/76/27/508127627.db2.gz BFTSQNHTDZKFQJ-GJZGRUSLSA-N 1 1 366.531 2.737 10 0 FFAEMO CCc1nc([C@H](C)NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cs1 ZINC000111894532 508134806 /nfs/dbraw/zinc/13/48/06/508134806.db2.gz ZDIQDWJECMEHBV-KGLIPLIRSA-N 1 1 366.531 2.661 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3ccccc3)CC2)cn1 ZINC000112729056 508216636 /nfs/dbraw/zinc/21/66/36/508216636.db2.gz QJZPMTRLMPOJNU-UHFFFAOYSA-N 1 1 354.498 2.915 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)C(C)(C)c3ccccc3)CC2)cn1 ZINC000112729056 508216640 /nfs/dbraw/zinc/21/66/40/508216640.db2.gz QJZPMTRLMPOJNU-UHFFFAOYSA-N 1 1 354.498 2.915 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3OC)CC2)cn1 ZINC000112736402 508217393 /nfs/dbraw/zinc/21/73/93/508217393.db2.gz YPFJLMVEECEEDA-UHFFFAOYSA-N 1 1 371.485 2.960 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)cc3OC)CC2)cn1 ZINC000112736402 508217396 /nfs/dbraw/zinc/21/73/96/508217396.db2.gz YPFJLMVEECEEDA-UHFFFAOYSA-N 1 1 371.485 2.960 10 0 FFAEMO CC(C)(C)CCNC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000076714804 508245631 /nfs/dbraw/zinc/24/56/31/508245631.db2.gz WDFNNWRQXVYALY-UHFFFAOYSA-N 1 1 351.535 2.653 10 0 FFAEMO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1Br ZINC000083550266 508247538 /nfs/dbraw/zinc/24/75/38/508247538.db2.gz RTXGPLFLZZRQCU-WCQYABFASA-N 1 1 353.260 2.766 10 0 FFAEMO O=C(CC1CCCCC1)N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000101587306 508249403 /nfs/dbraw/zinc/24/94/03/508249403.db2.gz JSJQYBIBPITDNO-OAQYLSRUSA-N 1 1 374.525 2.679 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000113226328 508252387 /nfs/dbraw/zinc/25/23/87/508252387.db2.gz NRITVFLEZWZRSH-VQIMIIECSA-N 1 1 371.525 2.799 10 0 FFAEMO CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000101733436 508255558 /nfs/dbraw/zinc/25/55/58/508255558.db2.gz IKABLKNZOPETOZ-ROUUACIJSA-N 1 1 362.514 2.930 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Br)cc1 ZINC000113267809 508255744 /nfs/dbraw/zinc/25/57/44/508255744.db2.gz QGFVOBRUCRELSD-SWLSCSKDSA-N 1 1 352.276 2.556 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Br)cc1 ZINC000113267807 508255983 /nfs/dbraw/zinc/25/59/83/508255983.db2.gz QGFVOBRUCRELSD-IUODEOHRSA-N 1 1 352.276 2.556 10 0 FFAEMO COc1ccc(Cl)cc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113269855 508256644 /nfs/dbraw/zinc/25/66/44/508256644.db2.gz HJQYXIPLTUUDJC-UKRRQHHQSA-N 1 1 351.878 2.846 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)C1 ZINC000114940381 508361031 /nfs/dbraw/zinc/36/10/31/508361031.db2.gz IMPUBEDIIHMRLB-INIZCTEOSA-N 1 1 355.486 2.936 10 0 FFAEMO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105187857 508365030 /nfs/dbraw/zinc/36/50/30/508365030.db2.gz RDDMGDKYZHUGIK-VQIMIIECSA-N 1 1 360.477 2.532 10 0 FFAEMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)nc1 ZINC000105608358 508378182 /nfs/dbraw/zinc/37/81/82/508378182.db2.gz RHEWPHKPZNMVTF-UHFFFAOYSA-N 1 1 367.409 2.884 10 0 FFAEMO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084631 508392432 /nfs/dbraw/zinc/39/24/32/508392432.db2.gz RLAULLNMCAXCSX-QGZVFWFLSA-N 1 1 361.534 2.708 10 0 FFAEMO COCC[N@H+]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000106108279 508393528 /nfs/dbraw/zinc/39/35/28/508393528.db2.gz WIHLALIRNQRGAT-ZDUSSCGKSA-N 1 1 374.312 2.975 10 0 FFAEMO COCCN1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000106108279 508393529 /nfs/dbraw/zinc/39/35/29/508393529.db2.gz WIHLALIRNQRGAT-ZDUSSCGKSA-N 1 1 374.312 2.975 10 0 FFAEMO COCCN1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000106108279 508393531 /nfs/dbraw/zinc/39/35/31/508393531.db2.gz WIHLALIRNQRGAT-ZDUSSCGKSA-N 1 1 374.312 2.975 10 0 FFAEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2c(CC)cccc2CC)C[C@H]1C ZINC000106112425 508394573 /nfs/dbraw/zinc/39/45/73/508394573.db2.gz QTBJKSGUYOGSIE-QGZVFWFLSA-N 1 1 361.530 2.793 10 0 FFAEMO CCOCC[N@H+]1CCN(CC(=O)Nc2c(CC)cccc2CC)C[C@H]1C ZINC000106112425 508394575 /nfs/dbraw/zinc/39/45/75/508394575.db2.gz QTBJKSGUYOGSIE-QGZVFWFLSA-N 1 1 361.530 2.793 10 0 FFAEMO CC[C@@H]1CN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC[N@H+]1CCOC ZINC000106114180 508394680 /nfs/dbraw/zinc/39/46/80/508394680.db2.gz SWXJGJDLZLDNSH-GBESFXJTSA-N 1 1 361.530 2.603 10 0 FFAEMO CCOc1ccc(OCC[NH+]2CCN([C@H](C)c3nc(CC)no3)CC2)cc1 ZINC000106138398 508396187 /nfs/dbraw/zinc/39/61/87/508396187.db2.gz VZSUJOZFONBEFI-MRXNPFEDSA-N 1 1 374.485 2.788 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](O)COc3cc(C)ccc3C)C2)n1 ZINC000106176929 508397238 /nfs/dbraw/zinc/39/72/38/508397238.db2.gz JKXWMPUCAVPPKZ-PMACEKPBSA-N 1 1 372.513 2.664 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2csc(-c3ccccc3C)n2)CC1 ZINC000106397678 508400248 /nfs/dbraw/zinc/40/02/48/508400248.db2.gz PWOPWDBUQBBFCO-OAHLLOKOSA-N 1 1 359.495 2.647 10 0 FFAEMO Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000106429807 508400774 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FFAEMO c1csc([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000127591132 508473344 /nfs/dbraw/zinc/47/33/44/508473344.db2.gz XGVXCWJXFQTPQG-CYBMUJFWSA-N 1 1 350.513 2.816 10 0 FFAEMO COc1ccc(C)nc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000127669245 508484024 /nfs/dbraw/zinc/48/40/24/508484024.db2.gz KMAKTHYXSZQWNQ-UHFFFAOYSA-N 1 1 355.442 2.893 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1noc2ccccc12 ZINC000116252687 508491765 /nfs/dbraw/zinc/49/17/65/508491765.db2.gz DIDFJVFUWALLLE-YJBOKZPZSA-N 1 1 364.449 2.792 10 0 FFAEMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320916 508499564 /nfs/dbraw/zinc/49/95/64/508499564.db2.gz OPSMDQGVSRATIV-QFBILLFUSA-N 1 1 370.497 2.876 10 0 FFAEMO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320916 508499567 /nfs/dbraw/zinc/49/95/67/508499567.db2.gz OPSMDQGVSRATIV-QFBILLFUSA-N 1 1 370.497 2.876 10 0 FFAEMO CC(C)c1csc([C@@H]2CCC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)n1 ZINC000127804512 508502912 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FFAEMO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1cccc(Cl)c1 ZINC000175621746 510696979 /nfs/dbraw/zinc/69/69/79/510696979.db2.gz OQKAXHZCKQZASK-ZQIUZPCESA-N 1 1 351.878 2.763 10 0 FFAEMO Brc1cc2c(cc1CN1CC[N@H+]3CCC[C@@H]3C1)OCCO2 ZINC000178634421 510698033 /nfs/dbraw/zinc/69/80/33/510698033.db2.gz IYSISHNFWYVHBD-CYBMUJFWSA-N 1 1 353.260 2.500 10 0 FFAEMO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178637950 510699214 /nfs/dbraw/zinc/69/92/14/510699214.db2.gz CPEKCYQENBAXQH-IUODEOHRSA-N 1 1 352.276 2.556 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000172380114 510699514 /nfs/dbraw/zinc/69/95/14/510699514.db2.gz MHPCJWHNMFLJBL-OAHLLOKOSA-N 1 1 360.845 2.901 10 0 FFAEMO C[C@H](CCNC(=O)N1CCC(n2cncn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175639229 510705635 /nfs/dbraw/zinc/70/56/35/510705635.db2.gz WROCTQVOWQWFLA-QGZVFWFLSA-N 1 1 370.501 2.535 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1csc(-c2ccccn2)n1 ZINC000246851166 510709056 /nfs/dbraw/zinc/70/90/56/510709056.db2.gz CLVJNPCZAWQFTP-CVEARBPZSA-N 1 1 356.495 2.833 10 0 FFAEMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000246851314 510709648 /nfs/dbraw/zinc/70/96/48/510709648.db2.gz RIXMDHINVJEPLB-IAGOWNOFSA-N 1 1 355.486 2.964 10 0 FFAEMO C[C@H]1CN(C(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175644880 510710309 /nfs/dbraw/zinc/71/03/09/510710309.db2.gz QVPPALVNTOENBK-ICSRJNTNSA-N 1 1 371.525 2.861 10 0 FFAEMO CCOCC[N@H+]1CCN(Cc2nc(Cc3ccccc3C)no2)C[C@H]1CC ZINC000175647075 510710430 /nfs/dbraw/zinc/71/04/30/510710430.db2.gz JLBUIGNSOGYGGS-LJQANCHMSA-N 1 1 372.513 2.902 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000246854206 510711457 /nfs/dbraw/zinc/71/14/57/510711457.db2.gz COJUMKIWFLBPRE-SJORKVTESA-N 1 1 365.518 2.719 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000172407614 510712284 /nfs/dbraw/zinc/71/22/84/510712284.db2.gz MQMMPBNQABSFNC-ZDUSSCGKSA-N 1 1 359.405 2.553 10 0 FFAEMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000246863466 510715916 /nfs/dbraw/zinc/71/59/16/510715916.db2.gz FRWOMJWUKOYPGK-PBHICJAKSA-N 1 1 361.511 2.822 10 0 FFAEMO C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172417403 510717155 /nfs/dbraw/zinc/71/71/55/510717155.db2.gz NLIBYOBEIHHDNJ-INIZCTEOSA-N 1 1 358.486 2.674 10 0 FFAEMO O=C(C[C@H]1CSCCS1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246865145 510717677 /nfs/dbraw/zinc/71/76/77/510717677.db2.gz WDMTZZQZYSLARW-MSOLQXFVSA-N 1 1 364.580 2.906 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000246868004 510719463 /nfs/dbraw/zinc/71/94/63/510719463.db2.gz SPHPHYNIBGWLQO-YJBOKZPZSA-N 1 1 356.470 2.509 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C[C@H]1CSCCS1 ZINC000246877359 510722934 /nfs/dbraw/zinc/72/29/34/510722934.db2.gz WQRMHAQEYVKOSM-HYVNUMGLSA-N 1 1 365.568 2.647 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCCC[C@H]3O)CC2)[nH+]1 ZINC000178703833 510730700 /nfs/dbraw/zinc/73/07/00/510730700.db2.gz NTQJPPMRGGTFTC-YLJYHZDGSA-N 1 1 360.502 2.599 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccccc1OC(F)F ZINC000191572038 510731919 /nfs/dbraw/zinc/73/19/19/510731919.db2.gz KWMLJNVJFWVNEF-HNNXBMFYSA-N 1 1 355.429 2.956 10 0 FFAEMO C[C@@H]1CN(C(=O)NCCc2ccc3ccccc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000175689053 510735877 /nfs/dbraw/zinc/73/58/77/510735877.db2.gz VIGBXHAUVBGRIZ-UTKZUKDTSA-N 1 1 367.493 2.744 10 0 FFAEMO CC(C)CC(=O)N[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000182064859 510736065 /nfs/dbraw/zinc/73/60/65/510736065.db2.gz KVOAYVOAMSWTDN-XLIONFOSSA-N 1 1 361.530 2.810 10 0 FFAEMO CCCn1c(C)nnc1CN1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195248986 510736559 /nfs/dbraw/zinc/73/65/59/510736559.db2.gz MEHGELIJYKOEOT-INIZCTEOSA-N 1 1 362.547 2.715 10 0 FFAEMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736792 /nfs/dbraw/zinc/73/67/92/510736792.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 1 1 366.575 2.851 10 0 FFAEMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736799 /nfs/dbraw/zinc/73/67/99/510736799.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 1 1 366.575 2.851 10 0 FFAEMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000195250844 510736803 /nfs/dbraw/zinc/73/68/03/510736803.db2.gz ZKDCJKBCPDBFNJ-QGZVFWFLSA-N 1 1 366.575 2.851 10 0 FFAEMO C[NH+]1CCN(CCN2CC[N@H+](C)CC23CCCCC3)C2(CCCCC2)C1 ZINC000178725233 510739934 /nfs/dbraw/zinc/73/99/34/510739934.db2.gz UQHQBSHYMCEYHI-UHFFFAOYSA-N 1 1 362.606 2.887 10 0 FFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000182075561 510742568 /nfs/dbraw/zinc/74/25/68/510742568.db2.gz URSRHAJPBVNORA-HNAYVOBHSA-N 1 1 352.434 2.925 10 0 FFAEMO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172476378 510747210 /nfs/dbraw/zinc/74/72/10/510747210.db2.gz KCTHRACRQOOCIQ-XKQJLSEDSA-N 1 1 351.878 2.906 10 0 FFAEMO Cc1cccc(C(C)(C)CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000175728073 510757404 /nfs/dbraw/zinc/75/74/04/510757404.db2.gz DDXFOMCKCDYAII-IEBWSBKVSA-N 1 1 359.514 2.635 10 0 FFAEMO Cc1cccc(C(C)(C)CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000175728109 510758006 /nfs/dbraw/zinc/75/80/06/510758006.db2.gz DDXFOMCKCDYAII-MJGOQNOKSA-N 1 1 359.514 2.635 10 0 FFAEMO COc1ccccc1OCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195280798 510758424 /nfs/dbraw/zinc/75/84/24/510758424.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 1 1 355.482 2.923 10 0 FFAEMO COc1ccccc1OCCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280798 510758432 /nfs/dbraw/zinc/75/84/32/510758432.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 1 1 355.482 2.923 10 0 FFAEMO COc1ccccc1OCCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280798 510758436 /nfs/dbraw/zinc/75/84/36/510758436.db2.gz QMLAALSNXWEGLT-LJQANCHMSA-N 1 1 355.482 2.923 10 0 FFAEMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195286045 510762083 /nfs/dbraw/zinc/76/20/83/510762083.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 1 1 372.557 2.728 10 0 FFAEMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195286045 510762089 /nfs/dbraw/zinc/76/20/89/510762089.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 1 1 372.557 2.728 10 0 FFAEMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195286045 510762098 /nfs/dbraw/zinc/76/20/98/510762098.db2.gz YOIUPYLKSXDQDO-RCLSDMTESA-N 1 1 372.557 2.728 10 0 FFAEMO CN(C(=O)C[N@H+]1CC[C@@H](c2cnn(C)c2)C1)[C@H]1CCCc2ccccc21 ZINC000246957598 510767377 /nfs/dbraw/zinc/76/73/77/510767377.db2.gz JOQDXTIYRRIHJU-XLIONFOSSA-N 1 1 352.482 2.745 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000246959295 510769339 /nfs/dbraw/zinc/76/93/39/510769339.db2.gz MOHHKYSZGYPQMZ-ZBFHGGJFSA-N 1 1 359.445 2.651 10 0 FFAEMO C[C@H]1CN(C(=O)NCCCCCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175753372 510770796 /nfs/dbraw/zinc/77/07/96/510770796.db2.gz SRSOKQFTEIPSAN-ICSRJNTNSA-N 1 1 359.514 2.762 10 0 FFAEMO CN(C(=O)CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCCCC1 ZINC000195301635 510771695 /nfs/dbraw/zinc/77/16/95/510771695.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 1 1 358.530 2.626 10 0 FFAEMO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000195301635 510771704 /nfs/dbraw/zinc/77/17/04/510771704.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 1 1 358.530 2.626 10 0 FFAEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000195301635 510771710 /nfs/dbraw/zinc/77/17/10/510771710.db2.gz HJNUBCHQVPGTAI-IBGZPJMESA-N 1 1 358.530 2.626 10 0 FFAEMO Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000191650726 510772850 /nfs/dbraw/zinc/77/28/50/510772850.db2.gz CKWFRUGOXNTANL-UONOGXRCSA-N 1 1 360.408 2.768 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(S(=O)(=O)C(C)C)cc1 ZINC000246974236 510777695 /nfs/dbraw/zinc/77/76/95/510777695.db2.gz NUZWMPSDGOUUTD-SJORKVTESA-N 1 1 364.511 2.568 10 0 FFAEMO Cc1sc2ncnc(SCC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2c1C ZINC000195313219 510779525 /nfs/dbraw/zinc/77/95/25/510779525.db2.gz ORVDBEPNDRXKPF-CYBMUJFWSA-N 1 1 362.524 2.707 10 0 FFAEMO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[N@H+](C2CC2)CC1 ZINC000172541039 510781447 /nfs/dbraw/zinc/78/14/47/510781447.db2.gz FWAYDYMFZZEIDI-OAHLLOKOSA-N 1 1 372.538 2.813 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000172542403 510783080 /nfs/dbraw/zinc/78/30/80/510783080.db2.gz TZVRKRLRKDOKCB-CQSZACIVSA-N 1 1 368.412 2.903 10 0 FFAEMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000191690523 510787771 /nfs/dbraw/zinc/78/77/71/510787771.db2.gz RCOFAPRXQJWMOQ-UHFFFAOYSA-N 1 1 364.881 2.511 10 0 FFAEMO COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000195336588 510789591 /nfs/dbraw/zinc/78/95/91/510789591.db2.gz CYTHURWYZDYLHE-INIZCTEOSA-N 1 1 359.495 2.956 10 0 FFAEMO COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000195336588 510789596 /nfs/dbraw/zinc/78/95/96/510789596.db2.gz CYTHURWYZDYLHE-INIZCTEOSA-N 1 1 359.495 2.956 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN(Cc1ccccc1)C(C)=O ZINC000247004609 510795031 /nfs/dbraw/zinc/79/50/31/510795031.db2.gz QMJZFWSPCYVKQO-PMACEKPBSA-N 1 1 357.498 2.510 10 0 FFAEMO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195350920 510796678 /nfs/dbraw/zinc/79/66/78/510796678.db2.gz MLHZWEJVLXSFND-CYBMUJFWSA-N 1 1 374.466 2.679 10 0 FFAEMO COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195350920 510796686 /nfs/dbraw/zinc/79/66/86/510796686.db2.gz MLHZWEJVLXSFND-CYBMUJFWSA-N 1 1 374.466 2.679 10 0 FFAEMO Cc1cc(C)n(Cc2cccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2)n1 ZINC000195368662 510801995 /nfs/dbraw/zinc/80/19/95/510801995.db2.gz ZHWITRBNOFVXHN-FQEVSTJZSA-N 1 1 352.482 2.859 10 0 FFAEMO Cc1cc(C)n(Cc2cccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2)n1 ZINC000195368662 510802002 /nfs/dbraw/zinc/80/20/02/510802002.db2.gz ZHWITRBNOFVXHN-FQEVSTJZSA-N 1 1 352.482 2.859 10 0 FFAEMO CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195384285 510807091 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NTJUXBWNWIIMAX-JKSUJKDBSA-N 1 1 372.435 2.654 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4cccc(C)c4n3)C2)n1 ZINC000171651963 510282024 /nfs/dbraw/zinc/28/20/24/510282024.db2.gz IJEWODUFZCFQDH-QGZVFWFLSA-N 1 1 363.465 2.640 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4cccc(C)c4n3)C2)n1 ZINC000171651963 510282029 /nfs/dbraw/zinc/28/20/29/510282029.db2.gz IJEWODUFZCFQDH-QGZVFWFLSA-N 1 1 363.465 2.640 10 0 FFAEMO C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246110599 510298931 /nfs/dbraw/zinc/29/89/31/510298931.db2.gz PPRVEPAZUKJBLI-IEBWSBKVSA-N 1 1 354.498 2.977 10 0 FFAEMO CSCCCCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190714885 510302141 /nfs/dbraw/zinc/30/21/41/510302141.db2.gz ULVUKXBBXMTFPY-KRWDZBQOSA-N 1 1 350.532 2.688 10 0 FFAEMO COC(C)(C)C[C@@H](C)NC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190719831 510305677 /nfs/dbraw/zinc/30/56/77/510305677.db2.gz VTZNNNRGJHEUGM-AEFFLSMTSA-N 1 1 362.518 2.749 10 0 FFAEMO 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373.884 2.764 10 0 FFAEMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000171945149 510465788 /nfs/dbraw/zinc/46/57/88/510465788.db2.gz FYMZESGALVAULK-DZGCQCFKSA-N 1 1 369.387 2.500 10 0 FFAEMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000171945149 510465794 /nfs/dbraw/zinc/46/57/94/510465794.db2.gz FYMZESGALVAULK-DZGCQCFKSA-N 1 1 369.387 2.500 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CCC1CCOCC1 ZINC000246416691 510477773 /nfs/dbraw/zinc/47/77/73/510477773.db2.gz BPZWCRNLBQGUFW-YLJYHZDGSA-N 1 1 374.529 2.750 10 0 FFAEMO CCOCC[N@H+]1CCN(c2cc(C)nc(-c3cccnc3)n2)C[C@H]1CC ZINC000171986616 510486822 /nfs/dbraw/zinc/48/68/22/510486822.db2.gz WYAZOZMFXLDNPS-GOSISDBHSA-N 1 1 355.486 2.784 10 0 FFAEMO CCCOc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)c1 ZINC000246437125 510487993 /nfs/dbraw/zinc/48/79/93/510487993.db2.gz NOLCKLUVRGIAGW-CRAIPNDOSA-N 1 1 361.486 2.567 10 0 FFAEMO Cc1nc(Cl)ccc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 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CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171411615 510143776 /nfs/dbraw/zinc/14/37/76/510143776.db2.gz AFTDAGLUVCXNGJ-LJQANCHMSA-N 1 1 374.460 2.624 10 0 FFAEMO CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000171411615 510143781 /nfs/dbraw/zinc/14/37/81/510143781.db2.gz AFTDAGLUVCXNGJ-LJQANCHMSA-N 1 1 374.460 2.624 10 0 FFAEMO CCOc1cc(C[N@H+]2CCS[C@@H](C)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000245785133 510146305 /nfs/dbraw/zinc/14/63/05/510146305.db2.gz VDJAAUSAXNMKCI-GJZGRUSLSA-N 1 1 366.527 2.878 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000190477075 510153905 /nfs/dbraw/zinc/15/39/05/510153905.db2.gz CPOWBQCASYMGNE-LJQANCHMSA-N 1 1 362.481 2.616 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)C1 ZINC000171430773 510154839 /nfs/dbraw/zinc/15/48/39/510154839.db2.gz OJJZKUJDRYFWJK-PBHICJAKSA-N 1 1 351.878 2.907 10 0 FFAEMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000184173293 510172556 /nfs/dbraw/zinc/17/25/56/510172556.db2.gz NNOWUPJOLSLKBQ-HOTGVXAUSA-N 1 1 365.468 2.601 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)C2)no1 ZINC000245864632 510177270 /nfs/dbraw/zinc/17/72/70/510177270.db2.gz SMMNICOKIKSLEI-NVXWUHKLSA-N 1 1 350.507 2.964 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C2)no1 ZINC000245864632 510177277 /nfs/dbraw/zinc/17/72/77/510177277.db2.gz SMMNICOKIKSLEI-NVXWUHKLSA-N 1 1 350.507 2.964 10 0 FFAEMO CC[C@H]1CN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC[N@H+]1CCOC ZINC000190523837 510183840 /nfs/dbraw/zinc/18/38/40/510183840.db2.gz ITDPODNNLHPQNS-VQTJNVASSA-N 1 1 373.541 2.760 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2F)C1 ZINC000177660904 510185449 /nfs/dbraw/zinc/18/54/49/510185449.db2.gz XBMMOQPEJXIKHK-CQSZACIVSA-N 1 1 358.417 2.695 10 0 FFAEMO O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177681751 510197516 /nfs/dbraw/zinc/19/75/16/510197516.db2.gz OWDHINKFYFDZQV-KRWDZBQOSA-N 1 1 365.433 2.724 10 0 FFAEMO CCSc1ccc(Cl)cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245913335 510202637 /nfs/dbraw/zinc/20/26/37/510202637.db2.gz XLSPICQWHBWNNR-OLZOCXBDSA-N 1 1 356.919 2.979 10 0 FFAEMO CCSc1ccc(Cl)cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245913335 510202646 /nfs/dbraw/zinc/20/26/46/510202646.db2.gz XLSPICQWHBWNNR-OLZOCXBDSA-N 1 1 356.919 2.979 10 0 FFAEMO C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190577142 510218341 /nfs/dbraw/zinc/21/83/41/510218341.db2.gz YZBGZEATJAUDAY-FUHWJXTLSA-N 1 1 371.456 2.969 10 0 FFAEMO CC[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174633839 510220596 /nfs/dbraw/zinc/22/05/96/510220596.db2.gz BRDGNGBZMPDYQI-CJNGLKHVSA-N 1 1 366.527 2.631 10 0 FFAEMO CC[C@H]1CN(C(=O)CCC(=O)c2cc(C)sc2C)CC[N@H+]1C[C@@H](C)O ZINC000174633839 510220600 /nfs/dbraw/zinc/22/06/00/510220600.db2.gz BRDGNGBZMPDYQI-CJNGLKHVSA-N 1 1 366.527 2.631 10 0 FFAEMO CC[C@@H]1CN(C(=O)CSc2ccccc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174640672 510223843 /nfs/dbraw/zinc/22/38/43/510223843.db2.gz IDHXTIDHCDBNHS-ZIAGYGMSSA-N 1 1 356.919 2.736 10 0 FFAEMO CC[C@@H]1CN(C(=O)CSc2ccccc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000174640672 510223847 /nfs/dbraw/zinc/22/38/47/510223847.db2.gz IDHXTIDHCDBNHS-ZIAGYGMSSA-N 1 1 356.919 2.736 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCS(=O)(=O)c1ccc(C)cc1 ZINC000245966443 510231638 /nfs/dbraw/zinc/23/16/38/510231638.db2.gz DYZJMMKBVNKGKU-MSOLQXFVSA-N 1 1 350.528 2.717 10 0 FFAEMO COCc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190615049 510240571 /nfs/dbraw/zinc/24/05/71/510240571.db2.gz AYTQJGCDXQWQQG-SFHVURJKSA-N 1 1 353.466 2.822 10 0 FFAEMO Cc1[nH]nc(C(C)C)c1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190621835 510244615 /nfs/dbraw/zinc/24/46/15/510244615.db2.gz BLIMCHQXKQPHSI-KRWDZBQOSA-N 1 1 355.486 2.831 10 0 FFAEMO Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190621835 510244621 /nfs/dbraw/zinc/24/46/21/510244621.db2.gz BLIMCHQXKQPHSI-KRWDZBQOSA-N 1 1 355.486 2.831 10 0 FFAEMO Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190621835 510244632 /nfs/dbraw/zinc/24/46/32/510244632.db2.gz BLIMCHQXKQPHSI-KRWDZBQOSA-N 1 1 355.486 2.831 10 0 FFAEMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1nc(-c2cccs2)cs1 ZINC000177772908 510245051 /nfs/dbraw/zinc/24/50/51/510245051.db2.gz YWAXSEYUAVKKMS-CYBMUJFWSA-N 1 1 362.524 2.980 10 0 FFAEMO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246001346 510245805 /nfs/dbraw/zinc/24/58/05/510245805.db2.gz RVZSYSXYPGXBHI-HIFRSBDPSA-N 1 1 366.868 2.547 10 0 FFAEMO CC(C)c1noc(CCC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000190628983 510249057 /nfs/dbraw/zinc/24/90/57/510249057.db2.gz QHFKMDGGTNEKHY-KRWDZBQOSA-N 1 1 371.485 2.501 10 0 FFAEMO CCc1nc(CC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cs1 ZINC000190641183 510255711 /nfs/dbraw/zinc/25/57/11/510255711.db2.gz HNABFHLIKVEUCK-INIZCTEOSA-N 1 1 358.511 2.624 10 0 FFAEMO COc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(OC)c1 ZINC000190647780 510261021 /nfs/dbraw/zinc/26/10/21/510261021.db2.gz LOWZGQWKOJWOIL-KRWDZBQOSA-N 1 1 369.465 2.693 10 0 FFAEMO CC(C)OCc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000177800795 510261201 /nfs/dbraw/zinc/26/12/01/510261201.db2.gz RZCNLMLAUZGWOB-LPHOPBHVSA-N 1 1 361.486 2.796 10 0 FFAEMO CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000181062663 510263945 /nfs/dbraw/zinc/26/39/45/510263945.db2.gz FPICJCQPCQVFHD-MJGOQNOKSA-N 1 1 374.529 2.597 10 0 FFAEMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171641457 510269200 /nfs/dbraw/zinc/26/92/00/510269200.db2.gz NZPAICFRNNPMHJ-GUDVDZBRSA-N 1 1 374.529 2.527 10 0 FFAEMO C[C@@H]1CN(C(=O)Nc2cccc(-n3cccc3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177829997 510277694 /nfs/dbraw/zinc/27/76/94/510277694.db2.gz IFNXWJBXLMNMHN-VQIMIIECSA-N 1 1 354.454 2.662 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000190674280 510278010 /nfs/dbraw/zinc/27/80/10/510278010.db2.gz KHYZHIIUAIFMKC-INIZCTEOSA-N 1 1 373.526 2.553 10 0 FFAEMO CN(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459627 510279360 /nfs/dbraw/zinc/27/93/60/510279360.db2.gz NTJUXBWNWIIMAX-HZPDHXFCSA-N 1 1 372.435 2.654 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2cc(C)c(Cl)cc2OC)CC[N@H+]1C[C@@H](C)O ZINC000181124515 510281894 /nfs/dbraw/zinc/28/18/94/510281894.db2.gz ASHVFUJHIRENMC-KGLIPLIRSA-N 1 1 369.893 2.966 10 0 FFAEMO C[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccn1 ZINC000190683616 510283448 /nfs/dbraw/zinc/28/34/48/510283448.db2.gz LDEYOWHMJRFAQX-SJLPKXTDSA-N 1 1 353.470 2.701 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000181129308 510283492 /nfs/dbraw/zinc/28/34/92/510283492.db2.gz PSWPVOAOBKXUDE-SFHVURJKSA-N 1 1 360.502 2.516 10 0 FFAEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2nccs2)C1 ZINC000190697021 510291347 /nfs/dbraw/zinc/29/13/47/510291347.db2.gz LHRIVNSMUAMIPQ-ZDUSSCGKSA-N 1 1 365.528 2.572 10 0 FFAEMO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246107188 510297514 /nfs/dbraw/zinc/29/75/14/510297514.db2.gz JJOOOENWYFPCEN-IAGOWNOFSA-N 1 1 361.511 2.687 10 0 FFAEMO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246107188 510297518 /nfs/dbraw/zinc/29/75/18/510297518.db2.gz JJOOOENWYFPCEN-IAGOWNOFSA-N 1 1 361.511 2.687 10 0 FFAEMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000246117592 510302461 /nfs/dbraw/zinc/30/24/61/510302461.db2.gz IEMZWFGBWMJRMQ-WBVHZDCISA-N 1 1 358.486 2.628 10 0 FFAEMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCS[C@H](C)C1 ZINC000171690410 510309447 /nfs/dbraw/zinc/30/94/47/510309447.db2.gz GEJPQTREGXAAQR-CQSZACIVSA-N 1 1 358.511 2.543 10 0 FFAEMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCS[C@H](C)C1 ZINC000171690410 510309454 /nfs/dbraw/zinc/30/94/54/510309454.db2.gz GEJPQTREGXAAQR-CQSZACIVSA-N 1 1 358.511 2.543 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)C1 ZINC000194321406 510311461 /nfs/dbraw/zinc/31/14/61/510311461.db2.gz XHGCMYABLKZRAY-HNNXBMFYSA-N 1 1 366.893 2.782 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC2Cc3ccccc3C2)C1 ZINC000190734541 510315916 /nfs/dbraw/zinc/31/59/16/510315916.db2.gz UVTBFCPDQWLPPM-SFHVURJKSA-N 1 1 364.493 2.712 10 0 FFAEMO C[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1nccs1 ZINC000190733858 510316786 /nfs/dbraw/zinc/31/67/86/510316786.db2.gz HTICJKONTLDPCP-RDJZCZTQSA-N 1 1 373.526 2.805 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000246179419 510342043 /nfs/dbraw/zinc/34/20/43/510342043.db2.gz UNGPQJNYBMIQIH-SOLBZPMBSA-N 1 1 367.497 2.844 10 0 FFAEMO CCCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000177973054 510354930 /nfs/dbraw/zinc/35/49/30/510354930.db2.gz LUTXHGPXJRCWPE-KRWDZBQOSA-N 1 1 370.453 2.610 10 0 FFAEMO CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)c1 ZINC000177983560 510360021 /nfs/dbraw/zinc/36/00/21/510360021.db2.gz FIULLBOEHNWDMR-MRXNPFEDSA-N 1 1 370.453 2.528 10 0 FFAEMO COc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1Cl ZINC000194430377 510360108 /nfs/dbraw/zinc/36/01/08/510360108.db2.gz UZXGJMKRFOOJFL-WFASDCNBSA-N 1 1 353.850 2.533 10 0 FFAEMO Cc1c2cccc(Cl)c2oc1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181343799 510366086 /nfs/dbraw/zinc/36/60/86/510366086.db2.gz PUXYLAWSUFYHMH-OAHLLOKOSA-N 1 1 358.829 2.915 10 0 FFAEMO CCOC1CC(CCNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000190835813 510367009 /nfs/dbraw/zinc/36/70/09/510367009.db2.gz XTSGZSZYFCMDNP-UHFFFAOYSA-N 1 1 360.502 2.863 10 0 FFAEMO CCOCC[N@H+]1CCN(C[C@@H](O)COc2ccccc2Cl)C[C@@H]1CC ZINC000246217786 510371403 /nfs/dbraw/zinc/37/14/03/510371403.db2.gz AYFKDOQZLXXOFH-DLBZAZTESA-N 1 1 370.921 2.512 10 0 FFAEMO CCOCCN1CC[N@H+](C[C@@H](O)COc2ccccc2Cl)C[C@@H]1CC ZINC000246217786 510371405 /nfs/dbraw/zinc/37/14/05/510371405.db2.gz AYFKDOQZLXXOFH-DLBZAZTESA-N 1 1 370.921 2.512 10 0 FFAEMO CCOCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C[C@@H]1CC ZINC000246217786 510371411 /nfs/dbraw/zinc/37/14/11/510371411.db2.gz AYFKDOQZLXXOFH-DLBZAZTESA-N 1 1 370.921 2.512 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000181357572 510372809 /nfs/dbraw/zinc/37/28/09/510372809.db2.gz VEVKZWOBPWLTDG-NRFANRHFSA-N 1 1 360.461 2.803 10 0 FFAEMO Cn1ncc(Cl)c1CN1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190853045 510373479 /nfs/dbraw/zinc/37/34/79/510373479.db2.gz RIFBRQVKSWRQHB-CQSZACIVSA-N 1 1 370.925 2.702 10 0 FFAEMO Cn1ncc(Cl)c1CN1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190853045 510373483 /nfs/dbraw/zinc/37/34/83/510373483.db2.gz RIFBRQVKSWRQHB-CQSZACIVSA-N 1 1 370.925 2.702 10 0 FFAEMO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)sc2cccc(F)c12 ZINC000181377402 510381257 /nfs/dbraw/zinc/38/12/57/510381257.db2.gz DSLWHTRYDBKRSL-CQSZACIVSA-N 1 1 358.442 2.869 10 0 FFAEMO Cc1ccc(NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000246260247 510394655 /nfs/dbraw/zinc/39/46/55/510394655.db2.gz YHVXQMZDEKHDFI-AWEZNQCLSA-N 1 1 366.303 2.866 10 0 FFAEMO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1C(F)(F)F ZINC000246272138 510400081 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364.396 2.838 10 0 FFAEMO CC(=O)N(Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1)C1CC1 ZINC000247046269 510814795 /nfs/dbraw/zinc/81/47/95/510814795.db2.gz UXCBSWIWICLKLD-YWZLYKJASA-N 1 1 370.497 2.898 10 0 FFAEMO CCc1nc(COc2ccc(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)cc2)no1 ZINC000247066717 510823844 /nfs/dbraw/zinc/82/38/44/510823844.db2.gz ISMOPIBGMPCYNG-RHSMWYFYSA-N 1 1 372.469 2.670 10 0 FFAEMO Cn1ncc2c1ncnc2N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247065573 510824357 /nfs/dbraw/zinc/82/43/57/510824357.db2.gz PVILXWOLSUFBGI-PKOBYXMFSA-N 1 1 362.481 2.854 10 0 FFAEMO COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195442257 510826399 /nfs/dbraw/zinc/82/63/99/510826399.db2.gz NMTQWDSTYLGSCW-MRXNPFEDSA-N 1 1 359.495 2.990 10 0 FFAEMO COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195442257 510826402 /nfs/dbraw/zinc/82/64/02/510826402.db2.gz NMTQWDSTYLGSCW-MRXNPFEDSA-N 1 1 359.495 2.990 10 0 FFAEMO Cc1cc(-c2noc(CCC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2)ccc1F 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NQYLWKRJDRXRRB-CVEARBPZSA-N 1 1 371.485 2.903 10 0 FFAEMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nncn3CC)C2)cc1 ZINC000246141443 510316852 /nfs/dbraw/zinc/31/68/52/510316852.db2.gz NQYLWKRJDRXRRB-CVEARBPZSA-N 1 1 371.485 2.903 10 0 FFAEMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171702260 510316915 /nfs/dbraw/zinc/31/69/15/510316915.db2.gz FAGUKWAUWQOSHH-XLIONFOSSA-N 1 1 369.513 2.991 10 0 FFAEMO CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171702260 510316923 /nfs/dbraw/zinc/31/69/23/510316923.db2.gz FAGUKWAUWQOSHH-XLIONFOSSA-N 1 1 369.513 2.991 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246152025 510322256 /nfs/dbraw/zinc/32/22/56/510322256.db2.gz CHADWMAUMZRVJB-GJZGRUSLSA-N 1 1 366.456 2.669 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000194346581 510323223 /nfs/dbraw/zinc/32/32/23/510323223.db2.gz ANBATUSWTARLNB-IXDOHACOSA-N 1 1 360.502 2.906 10 0 FFAEMO CC[C@@H]1CN(C(=O)Nc2cnn(Cc3ccccc3)c2)CC[N@H+]1CCOC ZINC000174826354 510330607 /nfs/dbraw/zinc/33/06/07/510330607.db2.gz NLUIOFUKJQUMSF-LJQANCHMSA-N 1 1 371.485 2.506 10 0 FFAEMO Cc1nccn1CCCCNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181289840 510339882 /nfs/dbraw/zinc/33/98/82/510339882.db2.gz CIZYKSNXGOUADM-KRWDZBQOSA-N 1 1 357.502 2.791 10 0 FFAEMO CCn1cc([C@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)cn1 ZINC000190785744 510342864 /nfs/dbraw/zinc/34/28/64/510342864.db2.gz KTOXIFFNSHCOAY-GOSISDBHSA-N 1 1 362.518 2.561 10 0 FFAEMO CCn1cc([C@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CCO2)cn1 ZINC000190785744 510342870 /nfs/dbraw/zinc/34/28/70/510342870.db2.gz KTOXIFFNSHCOAY-GOSISDBHSA-N 1 1 362.518 2.561 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000246195782 510353652 /nfs/dbraw/zinc/35/36/52/510353652.db2.gz WZUVSUNFFFVPNB-UYAOXDASSA-N 1 1 367.497 2.745 10 0 FFAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000246195782 510353656 /nfs/dbraw/zinc/35/36/56/510353656.db2.gz WZUVSUNFFFVPNB-UYAOXDASSA-N 1 1 367.497 2.745 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)cc1Cl ZINC000177980454 510357499 /nfs/dbraw/zinc/35/74/99/510357499.db2.gz QNTWRDMVORBBDP-CQSZACIVSA-N 1 1 360.845 2.783 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1OC(C)C ZINC000177981024 510357585 /nfs/dbraw/zinc/35/75/85/510357585.db2.gz GOLYQIBGORMKGK-MRXNPFEDSA-N 1 1 370.453 2.608 10 0 FFAEMO CC[NH+](CC)[C@@H](C)CNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171772536 510360582 /nfs/dbraw/zinc/36/05/82/510360582.db2.gz UZZQSDDHGFMVRA-JTQLQIEISA-N 1 1 353.264 2.786 10 0 FFAEMO Cc1ccc(SCCC(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)cc1C ZINC000181339952 510363866 /nfs/dbraw/zinc/36/38/66/510363866.db2.gz OOZONAGYABIYND-SFHVURJKSA-N 1 1 358.511 2.692 10 0 FFAEMO CSc1ccc(Cl)c(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1 ZINC000181357202 510371318 /nfs/dbraw/zinc/37/13/18/510371318.db2.gz YPMYUBIAOBYWLJ-OAHLLOKOSA-N 1 1 350.875 2.582 10 0 FFAEMO CC[NH+](CC)CCOc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000181357892 510373038 /nfs/dbraw/zinc/37/30/38/510373038.db2.gz JBAINYBNZOGQNU-GOSISDBHSA-N 1 1 371.485 2.893 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CSc2ccc3ccccc3c2)cn1 ZINC000181367038 510375784 /nfs/dbraw/zinc/37/57/84/510375784.db2.gz DKOBXMVXFGLHGG-IBGZPJMESA-N 1 1 366.490 2.839 10 0 FFAEMO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246234059 510379297 /nfs/dbraw/zinc/37/92/97/510379297.db2.gz CPEKCYQENBAXQH-WFASDCNBSA-N 1 1 352.276 2.556 10 0 FFAEMO Cc1cccc(S(=O)(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1F ZINC000181385412 510385090 /nfs/dbraw/zinc/38/50/90/510385090.db2.gz YEQDNXQNQCTEEV-UHFFFAOYSA-N 1 1 351.447 2.511 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2cc(CSCC)on2)C[C@H]1CC ZINC000184556235 510385800 /nfs/dbraw/zinc/38/58/00/510385800.db2.gz UXIPJDQPPAVFQH-CQSZACIVSA-N 1 1 355.504 2.501 10 0 FFAEMO COc1ccccc1CCC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171813721 510385758 /nfs/dbraw/zinc/38/57/58/510385758.db2.gz ADXNTQNNNVLPRX-HXUWFJFHSA-N 1 1 368.477 2.506 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2cc(CSCC)on2)C[C@H]1CC ZINC000184556235 510385795 /nfs/dbraw/zinc/38/57/95/510385795.db2.gz UXIPJDQPPAVFQH-CQSZACIVSA-N 1 1 355.504 2.501 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2nn(-c3ccccc3)cc2C)C[C@H]1CC ZINC000184556095 510385892 /nfs/dbraw/zinc/38/58/92/510385892.db2.gz BNJGKDDCTPSRJO-GOSISDBHSA-N 1 1 370.497 2.754 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2nn(-c3ccccc3)cc2C)C[C@H]1CC ZINC000184556095 510385895 /nfs/dbraw/zinc/38/58/95/510385895.db2.gz BNJGKDDCTPSRJO-GOSISDBHSA-N 1 1 370.497 2.754 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000171820501 510390298 /nfs/dbraw/zinc/39/02/98/510390298.db2.gz NKYZLJVETYKZSV-LSDHHAIUSA-N 1 1 372.435 2.883 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1 ZINC000246275535 510402374 /nfs/dbraw/zinc/40/23/74/510402374.db2.gz ZLRHDZXWUWWOGQ-MLGOLLRUSA-N 1 1 366.893 2.892 10 0 FFAEMO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246281288 510403945 /nfs/dbraw/zinc/40/39/45/510403945.db2.gz SJPQTYBHEKEWMX-OALUTQOASA-N 1 1 373.541 2.527 10 0 FFAEMO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000246281288 510403954 /nfs/dbraw/zinc/40/39/54/510403954.db2.gz SJPQTYBHEKEWMX-OALUTQOASA-N 1 1 373.541 2.527 10 0 FFAEMO CC[C@@H]1CN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC[N@@H+]1CCOC ZINC000174957847 510405831 /nfs/dbraw/zinc/40/58/31/510405831.db2.gz ABIHVYMIWSDYEH-CRAIPNDOSA-N 1 1 364.461 2.604 10 0 FFAEMO CC[C@@H]1CN(C(=O)C[C@@H](C)C(=O)c2cccc(F)c2)CC[N@H+]1CCOC ZINC000174957847 510405834 /nfs/dbraw/zinc/40/58/34/510405834.db2.gz ABIHVYMIWSDYEH-CRAIPNDOSA-N 1 1 364.461 2.604 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000181443879 510412085 /nfs/dbraw/zinc/41/20/85/510412085.db2.gz GKVXRNMGFQSMQP-AWEZNQCLSA-N 1 1 372.778 2.879 10 0 FFAEMO CCOCCOCc1cccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000174983818 510419986 /nfs/dbraw/zinc/41/99/86/510419986.db2.gz WSOZNCOQRSBORN-GOSISDBHSA-N 1 1 361.486 2.860 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000174988669 510423335 /nfs/dbraw/zinc/42/33/35/510423335.db2.gz IPRUMCUXJSNVNA-LSDHHAIUSA-N 1 1 359.495 2.820 10 0 FFAEMO O=C(Nc1ccccc1CN1CCSCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171892207 510433853 /nfs/dbraw/zinc/43/38/53/510433853.db2.gz HBTSHCBHBDYBKU-KRWDZBQOSA-N 1 1 360.527 2.547 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000246341419 510436214 /nfs/dbraw/zinc/43/62/14/510436214.db2.gz VOHIUSVXDHWXSV-CXAGYDPISA-N 1 1 355.438 2.735 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(C)c3C)CC2)[nH+]c1 ZINC000175014750 510437613 /nfs/dbraw/zinc/43/76/13/510437613.db2.gz ZHXPDGYYDXJFKR-UHFFFAOYSA-N 1 1 366.465 2.731 10 0 FFAEMO O=C(NCCc1ccc(OC(F)(F)F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171901074 510439344 /nfs/dbraw/zinc/43/93/44/510439344.db2.gz UKGATLORJDWVAL-AWEZNQCLSA-N 1 1 357.376 2.617 10 0 FFAEMO 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CC[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000106104060 250237752 /nfs/dbraw/zinc/23/77/52/250237752.db2.gz RMAZNQLQBOJEBH-TZMCWYRMSA-N 1 1 374.312 2.709 10 0 FFAEMO COCC[N@@H+]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000106107281 250237939 /nfs/dbraw/zinc/23/79/39/250237939.db2.gz HIBCPIUKEIPJDW-HOTGVXAUSA-N 1 1 367.921 2.512 10 0 FFAEMO COCC[N@H+]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C[C@@H]1C ZINC000106107281 250237942 /nfs/dbraw/zinc/23/79/42/250237942.db2.gz HIBCPIUKEIPJDW-HOTGVXAUSA-N 1 1 367.921 2.512 10 0 FFAEMO CC[C@@H]1CN(CC(=O)Nc2ccccc2C(F)(F)F)CC[N@H+]1CCOC ZINC000106115725 250239372 /nfs/dbraw/zinc/23/93/72/250239372.db2.gz NGMXJLZIPQNDOT-CQSZACIVSA-N 1 1 373.419 2.687 10 0 FFAEMO CCc1cccc(CC)c1NC(=O)CN1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000106115819 250239840 /nfs/dbraw/zinc/23/98/40/250239840.db2.gz POUADBARBTXMHO-LJQANCHMSA-N 1 1 361.530 2.793 10 0 FFAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106130856 250239966 /nfs/dbraw/zinc/23/99/66/250239966.db2.gz DCOFAPZFADWDAV-GOSISDBHSA-N 1 1 369.513 2.615 10 0 FFAEMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000106130856 250239971 /nfs/dbraw/zinc/23/99/71/250239971.db2.gz DCOFAPZFADWDAV-GOSISDBHSA-N 1 1 369.513 2.615 10 0 FFAEMO Cc1ccc(NC(=O)[C@H](C)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000106125107 250241075 /nfs/dbraw/zinc/24/10/75/250241075.db2.gz BFSDOGHCUCHQFK-MSOLQXFVSA-N 1 1 361.530 2.655 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000106165240 250247052 /nfs/dbraw/zinc/24/70/52/250247052.db2.gz BXFGCFJSXBCNPF-UHFFFAOYSA-N 1 1 359.474 2.599 10 0 FFAEMO Cc1nc(NC(=O)[C@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)sc1C ZINC000106163865 250247096 /nfs/dbraw/zinc/24/70/96/250247096.db2.gz KERNUJIHDBXXKC-ZDUSSCGKSA-N 1 1 361.515 2.775 10 0 FFAEMO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@H](Cn4cncn4)C3)nc(=O)c2c1C ZINC000106174041 250248617 /nfs/dbraw/zinc/24/86/17/250248617.db2.gz UJGPLNAIBKBDHM-OCCSQVGLSA-N 1 1 372.498 2.666 10 0 FFAEMO Cc1sc2[nH]c([C@@H](C)[N@H+]3CCC[C@H](Cn4cncn4)C3)nc(=O)c2c1C ZINC000106174041 250248620 /nfs/dbraw/zinc/24/86/20/250248620.db2.gz UJGPLNAIBKBDHM-OCCSQVGLSA-N 1 1 372.498 2.666 10 0 FFAEMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000106078558 250229232 /nfs/dbraw/zinc/22/92/32/250229232.db2.gz MLRRZOGCPRBCOU-SFHVURJKSA-N 1 1 367.497 2.941 10 0 FFAEMO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106078699 250229764 /nfs/dbraw/zinc/22/97/64/250229764.db2.gz FBPHOWBGQXXXLA-QGZVFWFLSA-N 1 1 353.470 2.633 10 0 FFAEMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106072706 250229784 /nfs/dbraw/zinc/22/97/84/250229784.db2.gz HQPKMAPNJLEPIG-UHFFFAOYSA-N 1 1 367.497 2.807 10 0 FFAEMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000106072706 250229789 /nfs/dbraw/zinc/22/97/89/250229789.db2.gz HQPKMAPNJLEPIG-UHFFFAOYSA-N 1 1 367.497 2.807 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000106397814 250267387 /nfs/dbraw/zinc/26/73/87/250267387.db2.gz DQNNKLOJFUILTM-INIZCTEOSA-N 1 1 366.552 2.694 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000106395267 250268383 /nfs/dbraw/zinc/26/83/83/250268383.db2.gz GAHXNDXCQQJBST-OAHLLOKOSA-N 1 1 363.845 2.524 10 0 FFAEMO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184428 250251200 /nfs/dbraw/zinc/25/12/00/250251200.db2.gz WYKXBBBNUDTQQD-MRXNPFEDSA-N 1 1 356.470 2.939 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000106213240 250255887 /nfs/dbraw/zinc/25/58/87/250255887.db2.gz AFKSCYREEWVHOQ-RDJZCZTQSA-N 1 1 351.458 2.819 10 0 FFAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 ZINC000106221479 250258476 /nfs/dbraw/zinc/25/84/76/250258476.db2.gz SWICMGKBQOIOEJ-GJZGRUSLSA-N 1 1 373.432 2.704 10 0 FFAEMO Cc1cnn([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc3ccccc3F)C2)c1 ZINC000106221479 250258480 /nfs/dbraw/zinc/25/84/80/250258480.db2.gz SWICMGKBQOIOEJ-GJZGRUSLSA-N 1 1 373.432 2.704 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)N3CCC[C@H]3c3cnn(C)c3)CC2)[nH+]1 ZINC000116970485 250327591 /nfs/dbraw/zinc/32/75/91/250327591.db2.gz HYACNUNKUPBWAK-SFHVURJKSA-N 1 1 368.485 2.639 10 0 FFAEMO C[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111694247 250315404 /nfs/dbraw/zinc/31/54/04/250315404.db2.gz MSSZUBMYISSRDY-XJKSGUPXSA-N 1 1 354.878 2.553 10 0 FFAEMO C[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111694247 250315405 /nfs/dbraw/zinc/31/54/05/250315405.db2.gz MSSZUBMYISSRDY-XJKSGUPXSA-N 1 1 354.878 2.553 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)[C@H](C)Oc3cccc(C=O)c3)CC2)[nH+]1 ZINC000116836678 250318334 /nfs/dbraw/zinc/31/83/34/250318334.db2.gz ZKLLVLIBSGYBHN-INIZCTEOSA-N 1 1 367.449 2.755 10 0 FFAEMO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)c1 ZINC000118399084 250384711 /nfs/dbraw/zinc/38/47/11/250384711.db2.gz AMFZEAIEAKAQBR-FUHWJXTLSA-N 1 1 371.460 2.633 10 0 FFAEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)NCC2CC2)cn1 ZINC000131910057 251029874 /nfs/dbraw/zinc/02/98/74/251029874.db2.gz FNPFOEDRMCACGJ-IBGZPJMESA-N 1 1 368.481 2.662 10 0 FFAEMO CC[C@@H]1CN(C[C@H](O)c2ccccc2Br)CC[N@H+]1CCOC ZINC000152942561 251083033 /nfs/dbraw/zinc/08/30/33/251083033.db2.gz JBMFOADNZXAWSZ-PBHICJAKSA-N 1 1 371.319 2.525 10 0 FFAEMO CC[N@H+]1CC[C@H](Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000153269799 251120683 /nfs/dbraw/zinc/12/06/83/251120683.db2.gz YKRFEFYBDVKLRY-UQASEVPWSA-N 1 1 357.498 2.913 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(C(=O)CCc3cn(C)c4ccccc34)CC2)CCO1 ZINC000153330246 251125454 /nfs/dbraw/zinc/12/54/54/251125454.db2.gz JIPGEXQSHGKMJL-KRWDZBQOSA-N 1 1 369.509 2.823 10 0 FFAEMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cnn1CC(C)C ZINC000163035159 251168509 /nfs/dbraw/zinc/16/85/09/251168509.db2.gz JCLITYOLFMQUCX-OXJNMPFZSA-N 1 1 369.513 2.883 10 0 FFAEMO COC[C@H](NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccc(C)o1 ZINC000175563921 251229513 /nfs/dbraw/zinc/22/95/13/251229513.db2.gz GNUVSKFRSISJGK-KRWDZBQOSA-N 1 1 372.469 2.947 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccccn1 ZINC000181133442 251246056 /nfs/dbraw/zinc/24/60/56/251246056.db2.gz SIIUDGSIWCPWSX-KRWDZBQOSA-N 1 1 365.441 2.528 10 0 FFAEMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2cccnc12 ZINC000252657046 251310976 /nfs/dbraw/zinc/31/09/76/251310976.db2.gz DWTGOJLBHCNMOG-NVXWUHKLSA-N 1 1 359.495 2.648 10 0 FFAEMO CN(C)C(=O)COc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252802223 251312338 /nfs/dbraw/zinc/31/23/38/251312338.db2.gz HQWDJQXZUMUTPS-FXAWDEMLSA-N 1 1 371.525 2.602 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Br)ncc1Cl ZINC000251720274 251301575 /nfs/dbraw/zinc/30/15/75/251301575.db2.gz LOEZJIGRPCRZNE-UWVGGRQHSA-N 1 1 358.667 2.806 10 0 FFAEMO Cc1cc(C)n(CC[N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)n1 ZINC000011663974 207316170 /nfs/dbraw/zinc/31/61/70/207316170.db2.gz CYAJYPFGOPOCJJ-UHFFFAOYSA-N 1 1 353.426 2.751 10 0 FFAEMO CC[N@@H+](C)C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)C[C@@H]1CO ZINC000091876585 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FFAEMO C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312737893 258115305 /nfs/dbraw/zinc/11/53/05/258115305.db2.gz URFFBWCBGARACK-BEFAXECRSA-N 1 1 363.461 2.822 10 0 FFAEMO C[N@H+]1CCO[C@@H]2CN(c3nc(-c4cccs4)nc4ccccc43)C[C@H]21 ZINC000301670244 258062245 /nfs/dbraw/zinc/06/22/45/258062245.db2.gz QCOPNWMTZPXSIB-HZPDHXFCSA-N 1 1 352.463 2.878 10 0 FFAEMO O=C(C[N@H+]1CCC[C@@H](n2cccn2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000328682051 258117876 /nfs/dbraw/zinc/11/78/76/258117876.db2.gz CUTLVBYJBSTOON-MRXNPFEDSA-N 1 1 363.465 2.586 10 0 FFAEMO Cc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ncc1Br ZINC000301821992 258069128 /nfs/dbraw/zinc/06/91/28/258069128.db2.gz BULADCKGMGTVNN-ZIAGYGMSSA-N 1 1 354.292 2.578 10 0 FFAEMO CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCc2cn3c(n2)CCCC3)cc[nH+]1 ZINC000330127186 258155881 /nfs/dbraw/zinc/15/58/81/258155881.db2.gz IYIXKDYGKXSMLK-VQIMIIECSA-N 1 1 370.501 2.659 10 0 FFAEMO C[C@@H](c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)c1ccc2c(c1)OCO2 ZINC000330234116 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Cc1nccn1C[C@H]1CCC[N@H+]1CCCS(=O)(=O)c1cccc(C)c1 ZINC000155312925 508974668 /nfs/dbraw/zinc/97/46/68/508974668.db2.gz KYTCKKMITGQIAW-GOSISDBHSA-N 1 1 361.511 2.828 10 0 FFAEMO Cc1ncc(CN2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)s1 ZINC000120426000 508993411 /nfs/dbraw/zinc/99/34/11/508993411.db2.gz GZHKKNUUXQZFRP-UHFFFAOYSA-N 1 1 368.510 2.658 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)NCCCCSC)CC2)cn1 ZINC000120468418 509002967 /nfs/dbraw/zinc/00/29/67/509002967.db2.gz QVYAFNPPMJWMCC-UHFFFAOYSA-N 1 1 367.563 2.654 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)NCCCCSC)CC2)cn1 ZINC000120468418 509002972 /nfs/dbraw/zinc/00/29/72/509002972.db2.gz QVYAFNPPMJWMCC-UHFFFAOYSA-N 1 1 367.563 2.654 10 0 FFAEMO COc1ccc(C)cc1-n1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000155655683 509046912 /nfs/dbraw/zinc/04/69/12/509046912.db2.gz PFGKIXBUMRKQFP-RDJZCZTQSA-N 1 1 356.470 2.648 10 0 FFAEMO Cc1cc(F)ccc1CCNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000132653701 509057460 /nfs/dbraw/zinc/05/74/60/509057460.db2.gz 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COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](Cn4cncn4)C3)n2)cc1 ZINC000152091344 509143720 /nfs/dbraw/zinc/14/37/20/509143720.db2.gz GVHQXIYUQOUYSJ-CABCVRRESA-N 1 1 368.441 2.810 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000161912694 509164153 /nfs/dbraw/zinc/16/41/53/509164153.db2.gz JYBCWEIRVVFTND-GFCCVEGCSA-N 1 1 360.380 2.636 10 0 FFAEMO CC(C)(CO)[C@H](CNC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000178916999 509181538 /nfs/dbraw/zinc/18/15/38/509181538.db2.gz QICWAADINJLOEN-LJQANCHMSA-N 1 1 359.514 2.668 10 0 FFAEMO CC[C@@H]1CN(C(=O)[C@@H](C)c2cn(C)c3ccccc23)CC[N@H+]1CCOC ZINC000185450964 509183730 /nfs/dbraw/zinc/18/37/30/509183730.db2.gz JTFSUOXFCKKLJE-DLBZAZTESA-N 1 1 357.498 2.851 10 0 FFAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)C3(c4ccc(F)cc4)CCOCC3)CC[C@H]21 ZINC000247954283 509200521 /nfs/dbraw/zinc/20/05/21/509200521.db2.gz FJNSXDYWQBFCGU-VQIMIIECSA-N 1 1 360.473 2.817 10 0 FFAEMO COc1ccc(OC)c(NC(=O)[C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195506432 509200695 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FFAEMO C[N@H+]1CC[C@H](NC(=O)C2(NC(=O)OC(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000248071789 509230816 /nfs/dbraw/zinc/23/08/16/509230816.db2.gz QPUCMUZCCLOEFC-HOTGVXAUSA-N 1 1 359.470 2.605 10 0 FFAEMO C[N@@H+](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)Cc1ccc(F)cc1 ZINC000175947474 509231494 /nfs/dbraw/zinc/23/14/94/509231494.db2.gz XBKRDGWMGAAXNP-UHFFFAOYSA-N 1 1 359.449 2.570 10 0 FFAEMO COc1cc(Cl)c(C)cc1NC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172800962 509243352 /nfs/dbraw/zinc/24/33/52/509243352.db2.gz BRQSNJYUQYFSBN-CQSZACIVSA-N 1 1 351.878 2.766 10 0 FFAEMO Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248133098 509243795 /nfs/dbraw/zinc/24/37/95/509243795.db2.gz WWHIZLLAJMQPDJ-MJGOQNOKSA-N 1 1 363.465 2.830 10 0 FFAEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000191915123 509245043 /nfs/dbraw/zinc/24/50/43/509245043.db2.gz QMNIVELLGPKYSC-CMDGGOBGSA-N 1 1 374.481 2.670 10 0 FFAEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)/C=C/c2cccc(O)c2)CC1 ZINC000191915123 509245047 /nfs/dbraw/zinc/24/50/47/509245047.db2.gz QMNIVELLGPKYSC-CMDGGOBGSA-N 1 1 374.481 2.670 10 0 FFAEMO CCC[C@H]1C[N@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000248144948 509247534 /nfs/dbraw/zinc/24/75/34/509247534.db2.gz ZIRJWDMDSGNIIT-ZBFHGGJFSA-N 1 1 358.276 2.690 10 0 FFAEMO CCC[C@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)CCO1 ZINC000248144948 509247542 /nfs/dbraw/zinc/24/75/42/509247542.db2.gz ZIRJWDMDSGNIIT-ZBFHGGJFSA-N 1 1 358.276 2.690 10 0 FFAEMO CC[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000248335730 509271456 /nfs/dbraw/zinc/27/14/56/509271456.db2.gz GTEFWHWSFKKJBQ-HOTGVXAUSA-N 1 1 358.438 2.989 10 0 FFAEMO CC[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CC[N@H+]1C[C@H](C)O ZINC000248335730 509271462 /nfs/dbraw/zinc/27/14/62/509271462.db2.gz GTEFWHWSFKKJBQ-HOTGVXAUSA-N 1 1 358.438 2.989 10 0 FFAEMO Cc1cc(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1Br ZINC000176013658 509273319 /nfs/dbraw/zinc/27/33/19/509273319.db2.gz NZVLPXGJSUNJIM-OAHLLOKOSA-N 1 1 351.288 2.997 10 0 FFAEMO CSc1cc(C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)ccc1F ZINC000162709542 509286074 /nfs/dbraw/zinc/28/60/74/509286074.db2.gz JWUGBPXDVSENGU-UHFFFAOYSA-N 1 1 362.474 2.629 10 0 FFAEMO CSc1cc(C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ccc1F ZINC000162709542 509286081 /nfs/dbraw/zinc/28/60/81/509286081.db2.gz JWUGBPXDVSENGU-UHFFFAOYSA-N 1 1 362.474 2.629 10 0 FFAEMO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-n4ccnc4)cc3C)CC2)n1 ZINC000192003938 509288777 /nfs/dbraw/zinc/28/87/77/509288777.db2.gz VNNZRQIBTWTDJW-MRXNPFEDSA-N 1 1 366.469 2.751 10 0 FFAEMO COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000248406330 509301265 /nfs/dbraw/zinc/30/12/65/509301265.db2.gz BVVSRFUFZLEQOW-INXVHJKPSA-N 1 1 374.481 2.514 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c(Br)n1 ZINC000248433958 509317942 /nfs/dbraw/zinc/31/79/42/509317942.db2.gz DNKOEJBGMSMHJR-NEPJUHHUSA-N 1 1 368.275 2.552 10 0 FFAEMO COc1cc(Br)ccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248454583 509329222 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O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000248547857 509357824 /nfs/dbraw/zinc/35/78/24/509357824.db2.gz FIBNZIAIYVBZJT-MOPGFXCFSA-N 1 1 350.466 2.902 10 0 FFAEMO COc1ccc([C@H](C)CC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000176173672 509361714 /nfs/dbraw/zinc/36/17/14/509361714.db2.gz PGVLBKNBQOGTCY-UYAOXDASSA-N 1 1 373.541 2.817 10 0 FFAEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3nnn(C)c3c2)C1 ZINC000248570454 509371121 /nfs/dbraw/zinc/37/11/21/509371121.db2.gz LYDFPMQLHIKJEQ-JKSUJKDBSA-N 1 1 355.486 2.695 10 0 FFAEMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(F)cc3Cl)CC[C@@H]2N1C1CC1 ZINC000248569684 509371166 /nfs/dbraw/zinc/37/11/66/509371166.db2.gz QEVZKHCKKGHOOY-UUWFMWQGSA-N 1 1 366.864 2.988 10 0 FFAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCc2ccoc2)CC1 ZINC000192159062 509381616 /nfs/dbraw/zinc/38/16/16/509381616.db2.gz ZLYPBPQKENXWKI-QGZVFWFLSA-N 1 1 364.486 2.867 10 0 FFAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCc2ccoc2)CC1 ZINC000192159062 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368.437 2.789 10 0 FFAEMO CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000333094546 258249399 /nfs/dbraw/zinc/24/93/99/258249399.db2.gz UDVFKVGKPHTUEI-IGDKPHCXSA-N 1 1 371.529 2.659 10 0 FFAEMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000333174129 258253949 /nfs/dbraw/zinc/25/39/49/258253949.db2.gz KDEWUSOPALKKME-CQSZACIVSA-N 1 1 352.504 2.985 10 0 FFAEMO CC(C)n1ncc2cc(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cnc21 ZINC000333218046 258256617 /nfs/dbraw/zinc/25/66/17/258256617.db2.gz RARYCNWVXHAFMW-UHFFFAOYSA-N 1 1 366.469 2.841 10 0 FFAEMO CC(=O)N(c1ccc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1)[C@@H]1C[C@H]1C ZINC000333256624 258258744 /nfs/dbraw/zinc/25/87/44/258258744.db2.gz DGVAVYNVUNDQIA-XVSDVWIESA-N 1 1 362.449 2.613 10 0 FFAEMO COCCNC(=O)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000034668758 136117907 /nfs/dbraw/zinc/11/79/07/136117907.db2.gz CBZYFDWMORJJMO-UHFFFAOYSA-N 1 1 371.456 2.524 10 0 FFAEMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ccccc1F ZINC000065637899 506338214 /nfs/dbraw/zinc/33/82/14/506338214.db2.gz XPUXKJBVSBAFTL-QGZVFWFLSA-N 1 1 369.440 2.935 10 0 FFAEMO Cc1cccc(C[NH+]2CCN(C[C@@H](O)COCc3ccccc3)CC2)c1 ZINC000033656667 506361756 /nfs/dbraw/zinc/36/17/56/506361756.db2.gz MUSMMHULZDZKRS-JOCHJYFZSA-N 1 1 354.494 2.690 10 0 FFAEMO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC(c2cnc[nH]2)CC1 ZINC000377274086 512197099 /nfs/dbraw/zinc/19/70/99/512197099.db2.gz VMUAKIAFOIWWDS-MRXNPFEDSA-N 1 1 356.451 2.619 10 0 FFAEMO C[N@@H+](CCNC(=O)C[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000054265805 506525524 /nfs/dbraw/zinc/52/55/24/506525524.db2.gz QEXJEYJESRHLLQ-GOSISDBHSA-N 1 1 369.490 2.738 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(CC(=O)Nc3cccc4ccccc43)CC2)CCO1 ZINC000066562130 506555324 /nfs/dbraw/zinc/55/53/24/506555324.db2.gz UGDKLISOKVBNMD-KRWDZBQOSA-N 1 1 367.493 2.963 10 0 FFAEMO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068046126 507092721 /nfs/dbraw/zinc/09/27/21/507092721.db2.gz DDLXMPQAVMSPGS-IRXDYDNUSA-N 1 1 355.862 2.635 10 0 FFAEMO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000068046126 507092729 /nfs/dbraw/zinc/09/27/29/507092729.db2.gz DDLXMPQAVMSPGS-IRXDYDNUSA-N 1 1 355.862 2.635 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)nc2)C1 ZINC000057821152 507336840 /nfs/dbraw/zinc/33/68/40/507336840.db2.gz UVNNSJZYNSJTQU-SFHVURJKSA-N 1 1 359.518 2.601 10 0 FFAEMO CSCc1nc2ccccc2n1CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061605054 507626762 /nfs/dbraw/zinc/62/67/62/507626762.db2.gz AAVBVGQGLOZAPM-UHFFFAOYSA-N 1 1 358.511 2.596 10 0 FFAEMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000089306709 507828184 /nfs/dbraw/zinc/82/81/84/507828184.db2.gz DLXNVDZJQUBJCK-UEXGIBASSA-N 1 1 374.525 2.848 10 0 FFAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000107281793 507841628 /nfs/dbraw/zinc/84/16/28/507841628.db2.gz QXXCNAYWCVUUSW-LJQANCHMSA-N 1 1 371.525 2.718 10 0 FFAEMO Cc1[nH]c2ccccc2c1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107282381 507841873 /nfs/dbraw/zinc/84/18/73/507841873.db2.gz XXZHDNUZURGWOO-QGZVFWFLSA-N 1 1 354.498 2.718 10 0 FFAEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000107325803 507843757 /nfs/dbraw/zinc/84/37/57/507843757.db2.gz BMDMKKNBPGGVRM-OAHLLOKOSA-N 1 1 352.429 2.599 10 0 FFAEMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)c1nc(C2CC2)no1 ZINC000089670124 507854862 /nfs/dbraw/zinc/85/48/62/507854862.db2.gz YRTUBRZTTAOYMT-BLLLJJGKSA-N 1 1 353.430 2.971 10 0 FFAEMO CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000108573417 507905453 /nfs/dbraw/zinc/90/54/53/507905453.db2.gz WGCGCBJOXVCGSU-NHCUHLMSSA-N 1 1 372.557 2.819 10 0 FFAEMO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1 ZINC000090224597 507915521 /nfs/dbraw/zinc/91/55/21/507915521.db2.gz NXWAXYZOERXGAG-BLLLJJGKSA-N 1 1 363.487 2.534 10 0 FFAEMO C[C@H](CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000108999769 507930885 /nfs/dbraw/zinc/93/08/85/507930885.db2.gz OJSBGIPZZNNNFO-GOSISDBHSA-N 1 1 371.525 2.583 10 0 FFAEMO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000109005654 507931502 /nfs/dbraw/zinc/93/15/02/507931502.db2.gz FYYSGJMHHLEGOK-GOSISDBHSA-N 1 1 373.522 2.613 10 0 FFAEMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)C1 ZINC000109407095 507960829 /nfs/dbraw/zinc/96/08/29/507960829.db2.gz QIDWWSZYDDHURJ-HKUYNNGSSA-N 1 1 363.546 2.794 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)CCO1 ZINC000079526099 507971316 /nfs/dbraw/zinc/97/13/16/507971316.db2.gz MFTTVOMIBKUFGJ-INIZCTEOSA-N 1 1 369.469 2.589 10 0 FFAEMO Cc1ccc(N2CC[C@H](NC(=O)CCn3cc[nH+]c3C(C)C)C2=O)cc1 ZINC000073986389 507974121 /nfs/dbraw/zinc/97/41/21/507974121.db2.gz VPGLBOINDZLRCA-KRWDZBQOSA-N 1 1 354.454 2.627 10 0 FFAEMO COC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000091258144 507977273 /nfs/dbraw/zinc/97/72/73/507977273.db2.gz ZWYPIKMALMMVPJ-PBHICJAKSA-N 1 1 353.413 2.532 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)CCc3cccc(OC)c3)CC2)cn1 ZINC000109660371 507977572 /nfs/dbraw/zinc/97/75/72/507977572.db2.gz UFYSAARHEZAZEN-UHFFFAOYSA-N 1 1 370.497 2.579 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)CCc3cccc(OC)c3)CC2)cn1 ZINC000109660371 507977574 /nfs/dbraw/zinc/97/75/74/507977574.db2.gz UFYSAARHEZAZEN-UHFFFAOYSA-N 1 1 370.497 2.579 10 0 FFAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cn1 ZINC000109663473 507977645 /nfs/dbraw/zinc/97/76/45/507977645.db2.gz BYSPLUZDFOSZQQ-UHFFFAOYSA-N 1 1 358.461 2.709 10 0 FFAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cn1 ZINC000109663473 507977648 /nfs/dbraw/zinc/97/76/48/507977648.db2.gz BYSPLUZDFOSZQQ-UHFFFAOYSA-N 1 1 358.461 2.709 10 0 FFAEMO O=C(C[C@H](O)c1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000091441769 507986359 /nfs/dbraw/zinc/98/63/59/507986359.db2.gz BAYCAKNHYPLGNJ-CTNGQTDRSA-N 1 1 352.478 2.791 10 0 FFAEMO COc1ccc(OC)c(CN(CCO)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000110031423 508002232 /nfs/dbraw/zinc/00/22/32/508002232.db2.gz RGWSIELAQUYOOL-UHFFFAOYSA-N 1 1 360.454 2.719 10 0 FFAEMO CC[C@H](CNC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000091844419 508018290 /nfs/dbraw/zinc/01/82/90/508018290.db2.gz OBVQBHZTLHKCAT-TZIWHRDSSA-N 1 1 372.557 2.992 10 0 FFAEMO C[C@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1noc(Cc2ccccc2)n1 ZINC000080201631 508050773 /nfs/dbraw/zinc/05/07/73/508050773.db2.gz PVGUHJYFZWQUJF-HNNXBMFYSA-N 1 1 369.469 2.601 10 0 FFAEMO CN(C)c1cc(CNC(=O)N2CCC[N@H+](C3CC3)CC2)c2ccccc2n1 ZINC000074928332 508071431 /nfs/dbraw/zinc/07/14/31/508071431.db2.gz HEEUOIRVUOAQCU-UHFFFAOYSA-N 1 1 367.497 2.681 10 0 FFAEMO Cc1cnn(CCCCC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000111228830 508079141 /nfs/dbraw/zinc/07/91/41/508079141.db2.gz RKVMDNVADSFESJ-UHFFFAOYSA-N 1 1 372.517 2.830 10 0 FFAEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)n1 ZINC000111229183 508080284 /nfs/dbraw/zinc/08/02/84/508080284.db2.gz CRXYCKAWIIKSSE-INIZCTEOSA-N 1 1 351.454 2.649 10 0 FFAEMO O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[N@H+](C2CC2)CC1 ZINC000080565921 508084218 /nfs/dbraw/zinc/08/42/18/508084218.db2.gz ZIDOOPMHKJMWCQ-UHFFFAOYSA-N 1 1 362.421 2.584 10 0 FFAEMO COC(=O)Nc1cc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1F ZINC000092603248 508086113 /nfs/dbraw/zinc/08/61/13/508086113.db2.gz LUBHJIVQJRAMHG-DGCLKSJQSA-N 1 1 350.394 2.704 10 0 FFAEMO CCOCC[N@H+]1CCN(c2cc(C)nc(-c3ccncc3)n2)C[C@@H]1CC ZINC000112080455 508149479 /nfs/dbraw/zinc/14/94/79/508149479.db2.gz DBFFYGPHWWYHAC-SFHVURJKSA-N 1 1 355.486 2.784 10 0 FFAEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000076393141 508198929 /nfs/dbraw/zinc/19/89/29/508198929.db2.gz FRRATTAWEFSQFR-ZBFHGGJFSA-N 1 1 359.470 2.594 10 0 FFAEMO CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000112872666 508228458 /nfs/dbraw/zinc/22/84/58/508228458.db2.gz WZVUONKBGDHWRQ-HXUWFJFHSA-N 1 1 355.482 2.738 10 0 FFAEMO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000101564844 508246924 /nfs/dbraw/zinc/24/69/24/508246924.db2.gz QBIYLPUUIUJRSL-ZIFCJYIRSA-N 1 1 359.514 2.676 10 0 FFAEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000101564844 508246925 /nfs/dbraw/zinc/24/69/25/508246925.db2.gz QBIYLPUUIUJRSL-ZIFCJYIRSA-N 1 1 359.514 2.676 10 0 FFAEMO COc1ccc(Br)c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000083550357 508247530 /nfs/dbraw/zinc/24/75/30/508247530.db2.gz XKKHUTHXAZOKIM-NWDGAFQWSA-N 1 1 353.260 2.766 10 0 FFAEMO CCn1c2ccccc2nc1SCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113228164 508252320 /nfs/dbraw/zinc/25/23/20/508252320.db2.gz YWAHLGUIMBVHKO-GJZGRUSLSA-N 1 1 358.511 2.843 10 0 FFAEMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2)n1 ZINC000113230813 508253033 /nfs/dbraw/zinc/25/30/33/508253033.db2.gz YXKWIWOYLZFVCF-GJZGRUSLSA-N 1 1 373.888 2.846 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1cscn1 ZINC000102013013 508264908 /nfs/dbraw/zinc/26/49/08/508264908.db2.gz ZXLVKPLTPPZXLR-QGZVFWFLSA-N 1 1 359.499 2.734 10 0 FFAEMO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000102038260 508265323 /nfs/dbraw/zinc/26/53/23/508265323.db2.gz HJDFLGAENVCKSQ-DOTOQJQBSA-N 1 1 350.507 2.754 10 0 FFAEMO CCc1csc([C@H]2CCCN(C(=O)NCCC[N@@H+](C)CCOC)C2)n1 ZINC000113595649 508275418 /nfs/dbraw/zinc/27/54/18/508275418.db2.gz NEDGPSWGHFYBCJ-HNNXBMFYSA-N 1 1 368.547 2.563 10 0 FFAEMO COc1ccc(OC)c([C@H](C)[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000102695913 508282293 /nfs/dbraw/zinc/28/22/93/508282293.db2.gz ZMLGQYATUPCWDR-KBXCAEBGSA-N 1 1 370.449 2.994 10 0 FFAEMO COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000077789928 508374958 /nfs/dbraw/zinc/37/49/58/508374958.db2.gz SZSCYIGCHNJUST-ZDUSSCGKSA-N 1 1 372.307 2.778 10 0 FFAEMO CCCOc1ccc(OCC[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000106071342 508391469 /nfs/dbraw/zinc/39/14/69/508391469.db2.gz XYYZEMRSEXFDES-UHFFFAOYSA-N 1 1 356.470 2.857 10 0 FFAEMO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106070764 508391664 /nfs/dbraw/zinc/39/16/64/508391664.db2.gz XPJQFIHFVYURBO-OAHLLOKOSA-N 1 1 350.426 2.800 10 0 FFAEMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCCN(c2cccnn2)CC1 ZINC000106070764 508391668 /nfs/dbraw/zinc/39/16/68/508391668.db2.gz XPJQFIHFVYURBO-OAHLLOKOSA-N 1 1 350.426 2.800 10 0 FFAEMO COCC[N@@H+]1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C[C@H]1C ZINC000106110277 508393560 /nfs/dbraw/zinc/39/35/60/508393560.db2.gz LPLAKDQRYCBAID-CABCVRRESA-N 1 1 362.449 2.898 10 0 FFAEMO COCC[N@H+]1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C[C@H]1C ZINC000106110277 508393563 /nfs/dbraw/zinc/39/35/63/508393563.db2.gz LPLAKDQRYCBAID-CABCVRRESA-N 1 1 362.449 2.898 10 0 FFAEMO CCOCC[N@H+]1CCN(CC(=O)N(CC)C2CCCCC2)C[C@@H]1CC ZINC000106118464 508395218 /nfs/dbraw/zinc/39/52/18/508395218.db2.gz VEWRJEAYQTZVGI-SFHVURJKSA-N 1 1 353.551 2.600 10 0 FFAEMO CCOCC[N@H+]1CCN(CC(=O)Nc2cccc(Cl)c2)C[C@@H]1CC ZINC000106119260 508395446 /nfs/dbraw/zinc/39/54/46/508395446.db2.gz IHGVXOMLQQBBAE-KRWDZBQOSA-N 1 1 353.894 2.711 10 0 FFAEMO CCc1noc([C@@H](C)N2CC[NH+](CCOc3cccc(CC)c3)CC2)n1 ZINC000106138979 508396211 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2.658 10 0 FFAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(Oc4cnccn4)c3)CC[C@H]21 ZINC000248169512 509254188 /nfs/dbraw/zinc/25/41/88/509254188.db2.gz ULRRQRBTSUAEDL-SJLPKXTDSA-N 1 1 352.438 2.825 10 0 FFAEMO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162572402 509254256 /nfs/dbraw/zinc/25/42/56/509254256.db2.gz SKVNVRZRLUEKCX-INIZCTEOSA-N 1 1 374.529 2.676 10 0 FFAEMO O=C(c1ccc[nH]c1=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248216300 509261367 /nfs/dbraw/zinc/26/13/67/509261367.db2.gz ZRXQWJADOTTYKD-PKOBYXMFSA-N 1 1 351.450 2.914 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2(SC)CCOCC2)C1 ZINC000175999855 509265956 /nfs/dbraw/zinc/26/59/56/509265956.db2.gz AMMBZSMLAHDKOD-OAHLLOKOSA-N 1 1 366.531 2.704 10 0 FFAEMO C/C(=C\C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1cccc(F)c1 ZINC000176004505 509268722 /nfs/dbraw/zinc/26/87/22/509268722.db2.gz LXUDIKLEEWMTCN-BBKFTCMMSA-N 1 1 359.489 2.858 10 0 FFAEMO COc1cccc(/C(C)=C/C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000176010731 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FFAEMO CC[C@H]1CN(C(=O)NCC(C)(C)c2ccccc2F)CC[N@H+]1C[C@H](C)O ZINC000248433695 509318465 /nfs/dbraw/zinc/31/84/65/509318465.db2.gz DHJZBQAQJUTCMD-HOTGVXAUSA-N 1 1 365.493 2.590 10 0 FFAEMO COc1cc(Br)ccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248454581 509329575 /nfs/dbraw/zinc/32/95/75/509329575.db2.gz RBFCGAWQDWAAAE-CZUORRHYSA-N 1 1 369.303 2.610 10 0 FFAEMO COc1cc(Br)ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248454581 509329582 /nfs/dbraw/zinc/32/95/82/509329582.db2.gz RBFCGAWQDWAAAE-CZUORRHYSA-N 1 1 369.303 2.610 10 0 FFAEMO COc1cc(Br)ccc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000248454581 509329589 /nfs/dbraw/zinc/32/95/89/509329589.db2.gz RBFCGAWQDWAAAE-CZUORRHYSA-N 1 1 369.303 2.610 10 0 FFAEMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC[N@H+]1C[C@H](C)O ZINC000248461203 509333300 /nfs/dbraw/zinc/33/33/00/509333300.db2.gz UKFQPVWLFFEKSE-GRDNDAEWSA-N 1 1 353.894 2.888 10 0 FFAEMO C[C@@H]1OCCC[C@H]1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000188938495 509333491 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357.329 2.990 10 0 FFAEMO COC(=O)c1oc([C@@H](C)[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1C ZINC000182895909 509482535 /nfs/dbraw/zinc/48/25/35/509482535.db2.gz DMFQLUYEUMRYDR-SJORKVTESA-N 1 1 363.502 2.538 10 0 FFAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)N[C@H]2CC=CCC2)CC1 ZINC000192381265 509493530 /nfs/dbraw/zinc/49/35/30/509493530.db2.gz BOYPAVXFLDFSPB-IRXDYDNUSA-N 1 1 365.518 2.933 10 0 FFAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)N[C@H]2CC=CCC2)CC1 ZINC000192381265 509493534 /nfs/dbraw/zinc/49/35/34/509493534.db2.gz BOYPAVXFLDFSPB-IRXDYDNUSA-N 1 1 365.518 2.933 10 0 FFAEMO COCCN(C)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cn1 ZINC000248842456 509508201 /nfs/dbraw/zinc/50/82/01/509508201.db2.gz LYMOQKLXPZKVLT-ROUUACIJSA-N 1 1 359.470 2.845 10 0 FFAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cc4c(cccc4F)[nH]3)C2)CC1 ZINC000173293642 509511352 /nfs/dbraw/zinc/51/13/52/509511352.db2.gz IKGMGMZAGYNETG-HNNXBMFYSA-N 1 1 358.461 2.549 10 0 FFAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000248878958 509525117 /nfs/dbraw/zinc/52/51/17/509525117.db2.gz NKEKOCOMQKTSAQ-IAGOWNOFSA-N 1 1 360.889 2.924 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CCC1CCOCC1 ZINC000248900385 509535644 /nfs/dbraw/zinc/53/56/44/509535644.db2.gz UKIHQJSWRDOQDI-YLJYHZDGSA-N 1 1 359.514 2.965 10 0 FFAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3Cl)C2)CC1 ZINC000179632559 509546350 /nfs/dbraw/zinc/54/63/50/509546350.db2.gz QMNNWKDDFHZACN-QZEKMECESA-N 1 1 361.917 2.982 10 0 FFAEMO O=C(Nc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1)OCC(F)(F)F ZINC000173402849 509575744 /nfs/dbraw/zinc/57/57/44/509575744.db2.gz CPDGMCUXBVTGJI-AWEZNQCLSA-N 1 1 371.359 2.718 10 0 FFAEMO CC[C@]1(C)CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000249030965 509576007 /nfs/dbraw/zinc/57/60/07/509576007.db2.gz BHUGZZHGOYETQQ-IMFGXOCKSA-N 1 1 360.502 2.503 10 0 FFAEMO Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c(OCC[NH+](C)C)c1 ZINC000183082807 509585118 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510863201 /nfs/dbraw/zinc/86/32/01/510863201.db2.gz MKMLFINCSIIIJO-SCTDSRPQSA-N 1 1 372.513 2.608 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cscn1 ZINC000247576093 510866352 /nfs/dbraw/zinc/86/63/52/510866352.db2.gz XOEWBMHSIXWPHE-WMLDXEAASA-N 1 1 359.499 2.590 10 0 FFAEMO CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000247579560 510866418 /nfs/dbraw/zinc/86/64/18/510866418.db2.gz IFVPYRHAYJHJOO-OAHLLOKOSA-N 1 1 353.894 2.630 10 0 FFAEMO CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(C)cc2Cl)C[C@H]1C ZINC000247579560 510866419 /nfs/dbraw/zinc/86/64/19/510866419.db2.gz IFVPYRHAYJHJOO-OAHLLOKOSA-N 1 1 353.894 2.630 10 0 FFAEMO CCOCC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000247587780 510866673 /nfs/dbraw/zinc/86/66/73/510866673.db2.gz JGILYXHNTSJBAC-HUUCEWRRSA-N 1 1 353.894 2.710 10 0 FFAEMO CCOCC[N@H+]1CCN([C@H](C)C(=O)Nc2ccccc2Cl)C[C@H]1C ZINC000247587780 510866674 /nfs/dbraw/zinc/86/66/74/510866674.db2.gz JGILYXHNTSJBAC-HUUCEWRRSA-N 1 1 353.894 2.710 10 0 FFAEMO 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/nfs/dbraw/zinc/37/14/48/510371448.db2.gz OSSHGPBLACVJSO-IEBWSBKVSA-N 1 1 354.922 2.881 10 0 FFAEMO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000246218631 510371453 /nfs/dbraw/zinc/37/14/53/510371453.db2.gz OSSHGPBLACVJSO-IEBWSBKVSA-N 1 1 354.922 2.881 10 0 FFAEMO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000181359563 510372279 /nfs/dbraw/zinc/37/22/79/510372279.db2.gz NHZVCZRVSCJIQB-SLFFLAALSA-N 1 1 352.482 2.820 10 0 FFAEMO Cc1cnc([C@H](C)NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000174912646 510383602 /nfs/dbraw/zinc/38/36/02/510383602.db2.gz HRDWIULUWVVFNW-RDJZCZTQSA-N 1 1 374.510 2.573 10 0 FFAEMO CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000194473779 510384396 /nfs/dbraw/zinc/38/43/96/510384396.db2.gz AOBQXBQJXLQQHK-IEBWSBKVSA-N 1 1 358.482 2.672 10 0 FFAEMO CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000194473779 510384400 /nfs/dbraw/zinc/38/44/00/510384400.db2.gz AOBQXBQJXLQQHK-IEBWSBKVSA-N 1 1 358.482 2.672 10 0 FFAEMO CCCCn1cc(C(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)c(C)n1 ZINC000184556051 510386040 /nfs/dbraw/zinc/38/60/40/510386040.db2.gz KIRFBOQZRVVURP-QGZVFWFLSA-N 1 1 350.507 2.565 10 0 FFAEMO CCCCn1cc(C(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)c(C)n1 ZINC000184556051 510386043 /nfs/dbraw/zinc/38/60/43/510386043.db2.gz KIRFBOQZRVVURP-QGZVFWFLSA-N 1 1 350.507 2.565 10 0 FFAEMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000246260739 510394549 /nfs/dbraw/zinc/39/45/49/510394549.db2.gz UFBMJFORHWEIPD-FCEWJHQRSA-N 1 1 370.559 2.518 10 0 FFAEMO O=C(NC1CC1)c1cc(N2CCC[N@H+](C3CC3)CC2)nc2ccccc21 ZINC000171831314 510396691 /nfs/dbraw/zinc/39/66/91/510396691.db2.gz FZRVSHBOCQPJHN-UHFFFAOYSA-N 1 1 350.466 2.802 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCc2ccc(C(C)(C)C)cc2)cn1 ZINC000181419812 510400302 /nfs/dbraw/zinc/40/03/02/510400302.db2.gz SBVRDXGTKPVXDZ-LJQANCHMSA-N 1 1 354.498 2.823 10 0 FFAEMO O=C(C[C@@H](O)c1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000246275672 510402563 /nfs/dbraw/zinc/40/25/63/510402563.db2.gz BAYCAKNHYPLGNJ-PZJWPPBQSA-N 1 1 352.478 2.791 10 0 FFAEMO CC[C@@H]1CCCC[C@H]1OCC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000184587142 510402854 /nfs/dbraw/zinc/40/28/54/510402854.db2.gz AKNDBTWAGFRDKF-JRGCBEDISA-N 1 1 374.525 2.507 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000174964008 510408637 /nfs/dbraw/zinc/40/86/37/510408637.db2.gz SSLYLLVRMCPHRZ-WOJBJXKFSA-N 1 1 369.509 2.624 10 0 FFAEMO C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000181442814 510410540 /nfs/dbraw/zinc/41/05/40/510410540.db2.gz DRETVXCNEQUCSC-RDTXWAMCSA-N 1 1 360.889 2.815 10 0 FFAEMO CC(C)Cc1ccc(CCC(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)cc1 ZINC000181447851 510414110 /nfs/dbraw/zinc/41/41/10/510414110.db2.gz IEEGOKMTYKLOQD-HXUWFJFHSA-N 1 1 354.498 2.724 10 0 FFAEMO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCc2ccncc2)cc1 ZINC000181448422 510414286 /nfs/dbraw/zinc/41/42/86/510414286.db2.gz GKGSCQAKKUZYSO-HXUWFJFHSA-N 1 1 353.466 2.928 10 0 FFAEMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CCc2ccncc2)cc1 ZINC000181448422 510414295 /nfs/dbraw/zinc/41/42/95/510414295.db2.gz GKGSCQAKKUZYSO-HXUWFJFHSA-N 1 1 353.466 2.928 10 0 FFAEMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCn2ccc3cc(Cl)ccc32)cn1 ZINC000181453828 510418091 /nfs/dbraw/zinc/41/80/91/510418091.db2.gz KXKOJNKPLPZBIO-SFHVURJKSA-N 1 1 371.872 2.591 10 0 FFAEMO CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171890639 510431967 /nfs/dbraw/zinc/43/19/67/510431967.db2.gz KQQHXMOFZMISJS-QGZVFWFLSA-N 1 1 358.486 2.917 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000175005781 510432377 /nfs/dbraw/zinc/43/23/77/510432377.db2.gz ONRGGRABEBTSSR-ZWKOTPCHSA-N 1 1 355.482 2.589 10 0 FFAEMO COCC[N@@H+]1CCN(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C[C@@H]1C ZINC000246346820 510438456 /nfs/dbraw/zinc/43/84/56/510438456.db2.gz OUCKROYUNZMQAX-KRWDZBQOSA-N 1 1 373.497 2.581 10 0 FFAEMO COCC[N@H+]1CCN(CC(=O)c2cc(C)n(Cc3ccco3)c2C)C[C@@H]1C ZINC000246346820 510438462 /nfs/dbraw/zinc/43/84/62/510438462.db2.gz OUCKROYUNZMQAX-KRWDZBQOSA-N 1 1 373.497 2.581 10 0 FFAEMO Cc1ccc2c(CCNC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cn(C)c2c1 ZINC000187790438 510439154 /nfs/dbraw/zinc/43/91/54/510439154.db2.gz AQNLDHDGGARZDD-GOSISDBHSA-N 1 1 354.498 2.909 10 0 FFAEMO O=C(NCCc1ccc(OC(F)(F)F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901073 510440039 /nfs/dbraw/zinc/44/00/39/510440039.db2.gz UKGATLORJDWVAL-CQSZACIVSA-N 1 1 357.376 2.617 10 0 FFAEMO O=C(c1ccc(OCc2ccccc2)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000194602659 510440280 /nfs/dbraw/zinc/44/02/80/510440280.db2.gz SYBSZKSGAMYKLH-IBGZPJMESA-N 1 1 351.450 2.971 10 0 FFAEMO O=C(c1ccc(OCc2ccccc2)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000194602659 510440286 /nfs/dbraw/zinc/44/02/86/510440286.db2.gz SYBSZKSGAMYKLH-IBGZPJMESA-N 1 1 351.450 2.971 10 0 FFAEMO O=C(NCc1ccccc1OCC(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171903708 510441741 /nfs/dbraw/zinc/44/17/41/510441741.db2.gz UPQMKPLHERZUDE-AWEZNQCLSA-N 1 1 357.376 2.617 10 0 FFAEMO CNC(=O)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Cl ZINC000178128295 510446715 /nfs/dbraw/zinc/44/67/15/510446715.db2.gz GMGBSXLRWBPYLC-MLGOLLRUSA-N 1 1 364.877 2.648 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000246374193 510454689 /nfs/dbraw/zinc/45/46/89/510454689.db2.gz JJULMYZRWBWNBO-QMTHXVAHSA-N 1 1 358.269 2.777 10 0 FFAEMO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1C(=O)NC(C)C ZINC000246392085 510463006 /nfs/dbraw/zinc/46/30/06/510463006.db2.gz KPVUZMJHOAQMGP-CRAIPNDOSA-N 1 1 360.502 2.983 10 0 FFAEMO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000178160105 510464115 /nfs/dbraw/zinc/46/41/15/510464115.db2.gz QPBRXAKKOCRHBO-INIZCTEOSA-N 1 1 354.502 2.968 10 0 FFAEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000171960168 510473441 /nfs/dbraw/zinc/47/34/41/510473441.db2.gz BWOPYOMZKROZBR-LBPRGKRZSA-N 1 1 350.264 2.835 10 0 FFAEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000171960168 510473443 /nfs/dbraw/zinc/47/34/43/510473443.db2.gz BWOPYOMZKROZBR-LBPRGKRZSA-N 1 1 350.264 2.835 10 0 FFAEMO C[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246413027 510476256 /nfs/dbraw/zinc/47/62/56/510476256.db2.gz KDYPBSCJFXOYRW-GDBMZVCRSA-N 1 1 358.404 2.737 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)no1 ZINC000171991736 510488918 /nfs/dbraw/zinc/48/89/18/510488918.db2.gz NIVSGFYKYFQARV-GXTWGEPZSA-N 1 1 354.414 2.839 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)no1 ZINC000171991736 510488928 /nfs/dbraw/zinc/48/89/28/510488928.db2.gz NIVSGFYKYFQARV-GXTWGEPZSA-N 1 1 354.414 2.839 10 0 FFAEMO COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246448506 510494438 /nfs/dbraw/zinc/49/44/38/510494438.db2.gz FDDICYFCTHMLDQ-SJLPKXTDSA-N 1 1 374.506 2.961 10 0 FFAEMO C[C@@H](Oc1cccc(C=O)c1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194733913 510501481 /nfs/dbraw/zinc/50/14/81/510501481.db2.gz BXCPFHNJMFUTBY-XLIONFOSSA-N 1 1 366.461 2.905 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2c(C)cccc2F)C1 ZINC000184762732 510504673 /nfs/dbraw/zinc/50/46/73/510504673.db2.gz NLZXTTVFOGKHGB-CQSZACIVSA-N 1 1 351.447 2.919 10 0 FFAEMO CC[C@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000184764193 510504769 /nfs/dbraw/zinc/50/47/69/510504769.db2.gz FRONIKCKURXRLR-CJNGLKHVSA-N 1 1 373.419 2.692 10 0 FFAEMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000194748689 510509244 /nfs/dbraw/zinc/50/92/44/510509244.db2.gz ZWUOBVPFSGJOLM-CLWVCHIJSA-N 1 1 352.425 2.636 10 0 FFAEMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000194748689 510509252 /nfs/dbraw/zinc/50/92/52/510509252.db2.gz ZWUOBVPFSGJOLM-CLWVCHIJSA-N 1 1 352.425 2.636 10 0 FFAEMO CCC[N@@H+](C[C@H](O)CN1CCCC1=O)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000246506911 510527208 /nfs/dbraw/zinc/52/72/08/510527208.db2.gz BEAQQXNEJNZVEE-IPMKNSEASA-N 1 1 366.546 2.810 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc(Br)ccc1C ZINC000187973327 510528193 /nfs/dbraw/zinc/52/81/93/510528193.db2.gz LLUIDFKXMNAURZ-QWHCGFSZSA-N 1 1 352.276 2.851 10 0 FFAEMO COc1cc(F)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1OC ZINC000246521119 510535693 /nfs/dbraw/zinc/53/56/93/510535693.db2.gz PGKHCDWWOVNWBE-KGLIPLIRSA-N 1 1 350.434 2.930 10 0 FFAEMO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)C[C@@H]1CCC[C@H]1O ZINC000246538608 510543331 /nfs/dbraw/zinc/54/33/31/510543331.db2.gz LCWSHMGYCVWDHO-LAUBAEHRSA-N 1 1 367.493 2.876 10 0 FFAEMO CC[C@H]1CN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC[N@H+]1C[C@@H](C)O ZINC000181702853 510547859 /nfs/dbraw/zinc/54/78/59/510547859.db2.gz DGTKRVFHHSELJL-AEFFLSMTSA-N 1 1 372.513 2.505 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000246556961 510554377 /nfs/dbraw/zinc/55/43/77/510554377.db2.gz YVBXFIFEAUKKLX-HOTGVXAUSA-N 1 1 372.473 2.612 10 0 FFAEMO COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C)[C@H](N4CCOCC4)C3)cs2)cc1 ZINC000246573615 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FFAEMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)c1ccc2ccccc2c1 ZINC000106219310 250258572 /nfs/dbraw/zinc/25/85/72/250258572.db2.gz OXDRTMQQVWYVDO-JXFKEZNVSA-N 1 1 363.465 2.946 10 0 FFAEMO COc1ccc(CCNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000116932838 250324055 /nfs/dbraw/zinc/32/40/55/250324055.db2.gz VNSOCOUXJGSYKQ-UHFFFAOYSA-N 1 1 368.481 2.909 10 0 FFAEMO Cc1ccc(NC(=O)N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)c1 ZINC000117433566 250347503 /nfs/dbraw/zinc/34/75/03/250347503.db2.gz NWEFVZSWYYLLJK-IBGZPJMESA-N 1 1 374.529 2.562 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1C ZINC000117285105 250339871 /nfs/dbraw/zinc/33/98/71/250339871.db2.gz WQCWYRTVBSPLJB-CQSZACIVSA-N 1 1 366.552 2.958 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H]1C ZINC000117285105 250339877 /nfs/dbraw/zinc/33/98/77/250339877.db2.gz WQCWYRTVBSPLJB-CQSZACIVSA-N 1 1 366.552 2.958 10 0 FFAEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000175571995 251231374 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CN1CC[NH+](CCC(C)(C)Nc2nn3cc(C(C)(C)C)nc3s2)CC1 ZINC000302254879 258098104 /nfs/dbraw/zinc/09/81/04/258098104.db2.gz NZMQWUBEVUXARG-UHFFFAOYSA-N 1 1 364.563 2.916 10 0 FFAEMO CCc1nnc(N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)nc1CC ZINC000302720949 258108794 /nfs/dbraw/zinc/10/87/94/258108794.db2.gz HLOLCWMRUCBVOF-UHFFFAOYSA-N 1 1 355.490 2.508 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccn(C4CCCCC4)n3)CC2)CCO1 ZINC000329937530 258151269 /nfs/dbraw/zinc/15/12/69/258151269.db2.gz LPRSUKCZMDRUTI-INIZCTEOSA-N 1 1 360.502 2.714 10 0 FFAEMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000328983390 258126097 /nfs/dbraw/zinc/12/60/97/258126097.db2.gz YVTSWOATFZXEEU-ABAIWWIYSA-N 1 1 363.824 2.582 10 0 FFAEMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000328983390 258126098 /nfs/dbraw/zinc/12/60/98/258126098.db2.gz YVTSWOATFZXEEU-ABAIWWIYSA-N 1 1 363.824 2.582 10 0 FFAEMO CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329276908 258134336 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350.444 2.826 10 0 FFAEMO CCO[C@H](C)c1ncc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)s1 ZINC000329735428 258146236 /nfs/dbraw/zinc/14/62/36/258146236.db2.gz RYQZGWKDVZGAGK-WOPDTQHZSA-N 1 1 350.444 2.826 10 0 FFAEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)CC[N@H+]1C ZINC000333037267 258246195 /nfs/dbraw/zinc/24/61/95/258246195.db2.gz NSBHUTYDJXQLMS-KDOFPFPSSA-N 1 1 373.501 2.526 10 0 FFAEMO O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333128537 258251476 /nfs/dbraw/zinc/25/14/76/258251476.db2.gz JHJSRPGACUACSY-GOSISDBHSA-N 1 1 350.422 2.779 10 0 FFAEMO O=C1CC2(CCCC2)CC(=O)N1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000013560107 132377704 /nfs/dbraw/zinc/37/77/04/132377704.db2.gz UWNYSEQNXHRAOC-UHFFFAOYSA-N 1 1 355.482 2.518 10 0 FFAEMO CC[NH+]1CCN(c2ncnc(Oc3cccc4cccnc43)c2N)CC1 ZINC000040726556 136120178 /nfs/dbraw/zinc/12/01/78/136120178.db2.gz XMPXGLHCIRBERI-UHFFFAOYSA-N 1 1 350.426 2.541 10 0 FFAEMO Cn1cc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2NC(=O)OC(C)(C)C)cn1 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/nfs/dbraw/zinc/40/94/57/510409457.db2.gz RVRXNUANDZVZGD-AWEZNQCLSA-N 1 1 372.778 2.879 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000174967184 510410338 /nfs/dbraw/zinc/41/03/38/510410338.db2.gz ZDESKRQAQDDXSP-ZWKOTPCHSA-N 1 1 356.470 2.669 10 0 FFAEMO Cc1ccc2c(CCNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cn(C)c2c1 ZINC000187749537 510416763 /nfs/dbraw/zinc/41/67/63/510416763.db2.gz GDXIRRDKBOAYGO-WMZOPIPTSA-N 1 1 354.498 2.907 10 0 FFAEMO COc1cc(OC)cc(N2CC[C@@H](Nc3ccc4c(c3)C[N@H+](C)C4)C2=O)c1 ZINC000175000453 510428239 /nfs/dbraw/zinc/42/82/39/510428239.db2.gz HXNCSZGRFWCFPF-HXUWFJFHSA-N 1 1 367.449 2.867 10 0 FFAEMO O=C(Nc1ccccc1CN1CCSCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171892206 510433914 /nfs/dbraw/zinc/43/39/14/510433914.db2.gz HBTSHCBHBDYBKU-QGZVFWFLSA-N 1 1 360.527 2.547 10 0 FFAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2-c2nnnn2C(C)C)C1 ZINC000184639472 510434235 /nfs/dbraw/zinc/43/42/35/510434235.db2.gz TZUNGVAOIXGSTD-CQSZACIVSA-N 1 1 357.462 2.527 10 0 FFAEMO O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171894952 510435215 /nfs/dbraw/zinc/43/52/15/510435215.db2.gz KXQYMVVESKBSOG-CQSZACIVSA-N 1 1 361.446 2.580 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)NCC[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000246347217 510439498 /nfs/dbraw/zinc/43/94/98/510439498.db2.gz PCFXAXXHVJEKFV-IRXDYDNUSA-N 1 1 363.502 2.551 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)NCC[C@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC000246347217 510439504 /nfs/dbraw/zinc/43/95/04/510439504.db2.gz PCFXAXXHVJEKFV-IRXDYDNUSA-N 1 1 363.502 2.551 10 0 FFAEMO CCCNC(=O)c1cccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)c1 ZINC000246373822 510454463 /nfs/dbraw/zinc/45/44/63/510454463.db2.gz QJRONWHRUVATDN-RTBURBONSA-N 1 1 372.513 2.595 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000175042402 510455216 /nfs/dbraw/zinc/45/52/16/510455216.db2.gz LEMNEGFRLJNAOM-RBUKOAKNSA-N 1 1 355.482 2.508 10 0 FFAEMO CCOCCN1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000246381493 510458573 /nfs/dbraw/zinc/45/85/73/510458573.db2.gz OSSRLQOMPPOWDL-QAPCUYQASA-N 1 1 374.447 2.651 10 0 FFAEMO CCOCC[N@@H+]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000246381493 510458578 /nfs/dbraw/zinc/45/85/78/510458578.db2.gz OSSRLQOMPPOWDL-QAPCUYQASA-N 1 1 374.447 2.651 10 0 FFAEMO CCOCC[N@H+]1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000246381493 510458582 /nfs/dbraw/zinc/45/85/82/510458582.db2.gz OSSRLQOMPPOWDL-QAPCUYQASA-N 1 1 374.447 2.651 10 0 FFAEMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(OC)c1 ZINC000246396869 510465406 /nfs/dbraw/zinc/46/54/06/510465406.db2.gz BFONRGCRSIMZIW-RHSMWYFYSA-N 1 1 374.437 2.823 10 0 FFAEMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(OC)c1 ZINC000246396869 510465412 /nfs/dbraw/zinc/46/54/12/510465412.db2.gz BFONRGCRSIMZIW-RHSMWYFYSA-N 1 1 374.437 2.823 10 0 FFAEMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000171945142 510465611 /nfs/dbraw/zinc/46/56/11/510465611.db2.gz FYMZESGALVAULK-UKRRQHHQSA-N 1 1 369.387 2.500 10 0 FFAEMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000171945142 510465614 /nfs/dbraw/zinc/46/56/14/510465614.db2.gz FYMZESGALVAULK-UKRRQHHQSA-N 1 1 369.387 2.500 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[C@H]2c3ccccc3NC2=O)C1 ZINC000246404546 510468777 /nfs/dbraw/zinc/46/87/77/510468777.db2.gz KLMMPRDXSOCDHQ-AEFFLSMTSA-N 1 1 372.513 2.780 10 0 FFAEMO CC[C@H]1CN(C(=O)NCc2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC000187877916 510483640 /nfs/dbraw/zinc/48/36/40/510483640.db2.gz GKPJGSCKSZBUTM-HNNXBMFYSA-N 1 1 357.857 2.731 10 0 FFAEMO CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000246449013 510493631 /nfs/dbraw/zinc/49/36/31/510493631.db2.gz MNVPEROVMMACAQ-ZFMNYDKASA-N 1 1 373.541 2.685 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccnc1N1CCCC1 ZINC000175145039 510503770 /nfs/dbraw/zinc/50/37/70/510503770.db2.gz AJMDYZDCUWUNDO-MRXNPFEDSA-N 1 1 354.458 2.883 10 0 FFAEMO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)n(-c2ccccn2)n1 ZINC000175148878 510504549 /nfs/dbraw/zinc/50/45/49/510504549.db2.gz DVJBRPLDVPHFHC-MRXNPFEDSA-N 1 1 365.441 2.777 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccnc(SC(C)(C)C)c2)CC1 ZINC000181627264 510508275 /nfs/dbraw/zinc/50/82/75/510508275.db2.gz PSFUMXMXUXQBBX-OAHLLOKOSA-N 1 1 351.516 2.501 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000246482507 510513767 /nfs/dbraw/zinc/51/37/67/510513767.db2.gz XUTGRSKTDPEKNA-IRXDYDNUSA-N 1 1 369.469 2.663 10 0 FFAEMO CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246511582 510529502 /nfs/dbraw/zinc/52/95/02/510529502.db2.gz SUPVJFWTTJKYFA-BXUZGUMPSA-N 1 1 369.918 2.845 10 0 FFAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000178304768 510536488 /nfs/dbraw/zinc/53/64/88/510536488.db2.gz YNXNQGQMWCCCOI-PKOBYXMFSA-N 1 1 370.497 2.548 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000184841560 510540496 /nfs/dbraw/zinc/54/04/96/510540496.db2.gz UYSLLADDSKBPOC-AEFFLSMTSA-N 1 1 363.502 2.633 10 0 FFAEMO CCOc1cccc2[nH]cc(CC(=O)N3CC[N@@H+](CCOC)[C@H](CC)C3)c21 ZINC000188047943 510565510 /nfs/dbraw/zinc/56/55/10/510565510.db2.gz CPODLBVCLKFRMM-QGZVFWFLSA-N 1 1 373.497 2.678 10 0 FFAEMO O[C@H](COC(c1ccccc1)c1ccccc1)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246590544 510573358 /nfs/dbraw/zinc/57/33/58/510573358.db2.gz SUMZCQQIRYUEJR-VXKWHMMOSA-N 1 1 366.505 2.934 10 0 FFAEMO CCOC(=O)C[C@@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C ZINC000175306899 510580971 /nfs/dbraw/zinc/58/09/71/510580971.db2.gz UZZSTTFUFHPBDQ-VQIMIIECSA-N 1 1 373.497 2.773 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000181790627 510595684 /nfs/dbraw/zinc/59/56/84/510595684.db2.gz KZQKSKNKIFXCMB-OCCSQVGLSA-N 1 1 357.857 2.638 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2cc(-n3cccn3)ccc2C)CC[N@H+]1CCOC ZINC000191304388 510595813 /nfs/dbraw/zinc/59/58/13/510595813.db2.gz JAKOFTGUOFLFAR-KRWDZBQOSA-N 1 1 371.485 2.755 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cn1 ZINC000246639341 510597441 /nfs/dbraw/zinc/59/74/41/510597441.db2.gz DDXRFQPXHPLUPV-ZHALLVOQSA-N 1 1 361.534 2.945 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cn1 ZINC000246639341 510597445 /nfs/dbraw/zinc/59/74/45/510597445.db2.gz DDXRFQPXHPLUPV-ZHALLVOQSA-N 1 1 361.534 2.945 10 0 FFAEMO O=S(=O)(CCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000188108682 510597824 /nfs/dbraw/zinc/59/78/24/510597824.db2.gz FXABGFIJXHKSHV-WMZOPIPTSA-N 1 1 365.520 2.620 10 0 FFAEMO O=S(=O)(CCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000188108682 510597827 /nfs/dbraw/zinc/59/78/27/510597827.db2.gz FXABGFIJXHKSHV-WMZOPIPTSA-N 1 1 365.520 2.620 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 ZINC000181803427 510601665 /nfs/dbraw/zinc/60/16/65/510601665.db2.gz ZZTYQUXYDAZJFT-RHSMWYFYSA-N 1 1 355.429 2.514 10 0 FFAEMO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000246652532 510602419 /nfs/dbraw/zinc/60/24/19/510602419.db2.gz DEDVLTSQBRRZHI-PMPSAXMXSA-N 1 1 350.532 2.619 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000246652532 510602420 /nfs/dbraw/zinc/60/24/20/510602420.db2.gz DEDVLTSQBRRZHI-PMPSAXMXSA-N 1 1 350.532 2.619 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000246652690 510602531 /nfs/dbraw/zinc/60/25/31/510602531.db2.gz ARKPCLGRYXMNCF-QWHCGFSZSA-N 1 1 357.857 2.902 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000246652690 510602533 /nfs/dbraw/zinc/60/25/33/510602533.db2.gz ARKPCLGRYXMNCF-QWHCGFSZSA-N 1 1 357.857 2.902 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000181814298 510607435 /nfs/dbraw/zinc/60/74/35/510607435.db2.gz YENSIFNEIRWYPW-NVXWUHKLSA-N 1 1 372.469 2.501 10 0 FFAEMO Cc1nc2ccccc2n1CC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000172249118 510625723 /nfs/dbraw/zinc/62/57/23/510625723.db2.gz WKSZPLPOILRTHH-UHFFFAOYSA-N 1 1 363.465 2.833 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000246708128 510627134 /nfs/dbraw/zinc/62/71/34/510627134.db2.gz CMEXYVOVJGKWTK-GUYCJALGSA-N 1 1 352.438 2.923 10 0 FFAEMO CCc1nc([C@H](C)NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cs1 ZINC000246706218 510627327 /nfs/dbraw/zinc/62/73/27/510627327.db2.gz ZDIQDWJECMEHBV-KBPBESRZSA-N 1 1 366.531 2.661 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)sc(=O)n4C)C2)no1 ZINC000195002440 510627754 /nfs/dbraw/zinc/62/77/54/510627754.db2.gz IEIQBAGEDLHGIP-CYBMUJFWSA-N 1 1 358.467 2.746 10 0 FFAEMO O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000178489745 510628500 /nfs/dbraw/zinc/62/85/00/510628500.db2.gz JEUYMFWZRLXLLY-UHFFFAOYSA-N 1 1 356.388 2.867 10 0 FFAEMO O[C@]12CCCC[C@@H]1C[NH+](CCC[N@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246714231 510631454 /nfs/dbraw/zinc/63/14/54/510631454.db2.gz FMFZUDXGKZMENB-WOZUAGRISA-N 1 1 350.547 2.631 10 0 FFAEMO O[C@]12CCCC[C@@H]1C[N@H+](CCC[NH+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246714231 510631460 /nfs/dbraw/zinc/63/14/60/510631460.db2.gz FMFZUDXGKZMENB-WOZUAGRISA-N 1 1 350.547 2.631 10 0 FFAEMO O[C@]12CCCC[C@@H]1C[N@@H+](CCC[NH+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246714231 510631467 /nfs/dbraw/zinc/63/14/67/510631467.db2.gz FMFZUDXGKZMENB-WOZUAGRISA-N 1 1 350.547 2.631 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 ZINC000246737446 510643826 /nfs/dbraw/zinc/64/38/26/510643826.db2.gz AVZLWRVOPGZWPO-RHSMWYFYSA-N 1 1 365.905 2.695 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000181901857 510649243 /nfs/dbraw/zinc/64/92/43/510649243.db2.gz FLVDMGRLFOTHRR-OLZOCXBDSA-N 1 1 357.857 2.638 10 0 FFAEMO CN(C)C(=O)Nc1ccc(C(=O)N2CCC[N@H+](C3CC3)CC2)c(Cl)c1 ZINC000178531752 510650001 /nfs/dbraw/zinc/65/00/01/510650001.db2.gz NZEIKAKEFBLUDC-UHFFFAOYSA-N 1 1 364.877 2.744 10 0 FFAEMO O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195058890 510653266 /nfs/dbraw/zinc/65/32/66/510653266.db2.gz SCWJVJMXQXMBJY-OAHLLOKOSA-N 1 1 368.456 2.810 10 0 FFAEMO O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195058890 510653271 /nfs/dbraw/zinc/65/32/71/510653271.db2.gz SCWJVJMXQXMBJY-OAHLLOKOSA-N 1 1 368.456 2.810 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C[C@H]1CC ZINC000172299742 510653510 /nfs/dbraw/zinc/65/35/10/510653510.db2.gz IGDHONVCAYAXTH-CQSZACIVSA-N 1 1 373.419 2.982 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C[C@H]1CC ZINC000172299742 510653514 /nfs/dbraw/zinc/65/35/14/510653514.db2.gz IGDHONVCAYAXTH-CQSZACIVSA-N 1 1 373.419 2.982 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(OCc2cccnc2)c1 ZINC000246763110 510659881 /nfs/dbraw/zinc/65/98/81/510659881.db2.gz AQKUFQFSRRGSSV-APWZRJJASA-N 1 1 351.450 2.969 10 0 FFAEMO O=C(c1cnn(Cc2ccccc2Cl)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195077437 510661264 /nfs/dbraw/zinc/66/12/64/510661264.db2.gz QTBFEAFDROTTOY-QGZVFWFLSA-N 1 1 358.873 2.895 10 0 FFAEMO O=C(c1cnn(Cc2ccccc2Cl)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195077437 510661272 /nfs/dbraw/zinc/66/12/72/510661272.db2.gz QTBFEAFDROTTOY-QGZVFWFLSA-N 1 1 358.873 2.895 10 0 FFAEMO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246771698 510663156 /nfs/dbraw/zinc/66/31/56/510663156.db2.gz LGMJRFRUNBKZLG-JENIJYKNSA-N 1 1 359.514 2.631 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)C[C@@H]1C ZINC000172315546 510664936 /nfs/dbraw/zinc/66/49/36/510664936.db2.gz JEJAPYIJKRTSIJ-HNNXBMFYSA-N 1 1 362.474 2.587 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)C[C@@H]1C ZINC000172315546 510664941 /nfs/dbraw/zinc/66/49/41/510664941.db2.gz JEJAPYIJKRTSIJ-HNNXBMFYSA-N 1 1 362.474 2.587 10 0 FFAEMO COc1ccc(C[C@H](C)NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1OC ZINC000246775359 510668315 /nfs/dbraw/zinc/66/83/15/510668315.db2.gz BAWCLTBLJTXAFH-ZOBUZTSGSA-N 1 1 361.486 2.513 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C[C@H]1C ZINC000172330477 510673763 /nfs/dbraw/zinc/67/37/63/510673763.db2.gz NGCOCJUEVWLSAK-CXAGYDPISA-N 1 1 351.878 2.689 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C[C@H]1C ZINC000172330477 510673764 /nfs/dbraw/zinc/67/37/64/510673764.db2.gz NGCOCJUEVWLSAK-CXAGYDPISA-N 1 1 351.878 2.689 10 0 FFAEMO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185098365 510684002 /nfs/dbraw/zinc/68/40/02/510684002.db2.gz MMEZEXJXYOFGHO-ROUUACIJSA-N 1 1 358.438 2.665 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000246807652 510687966 /nfs/dbraw/zinc/68/79/66/510687966.db2.gz DFQCIHOCQSVPSP-RLLQIKCJSA-N 1 1 359.514 2.963 10 0 FFAEMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000246815320 510691337 /nfs/dbraw/zinc/69/13/37/510691337.db2.gz BSOJSIWYUZMOPL-NVXWUHKLSA-N 1 1 358.486 2.718 10 0 FFAEMO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000246815320 510691342 /nfs/dbraw/zinc/69/13/42/510691342.db2.gz BSOJSIWYUZMOPL-NVXWUHKLSA-N 1 1 358.486 2.718 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(F)cc1Br ZINC000246821766 510692842 /nfs/dbraw/zinc/69/28/42/510692842.db2.gz CMKVUYGXVILNPW-RISCZKNCSA-N 1 1 370.266 2.966 10 0 FFAEMO C[C@H]1CN(c2ccc(NC(=O)N3CC[N@H+]4CCCC[C@H]4C3)cc2)CCO1 ZINC000246829295 510697040 /nfs/dbraw/zinc/69/70/40/510697040.db2.gz CSDMPSNFBDSJEY-LPHOPBHVSA-N 1 1 358.486 2.614 10 0 FFAEMO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178637940 510699751 /nfs/dbraw/zinc/69/97/51/510699751.db2.gz CPEKCYQENBAXQH-SWLSCSKDSA-N 1 1 352.276 2.556 10 0 FFAEMO C[C@@H](C(=O)Nc1ccccc1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178637338 510700019 /nfs/dbraw/zinc/70/00/19/510700019.db2.gz RSRULLRVHAAXDS-QWHCGFSZSA-N 1 1 352.276 2.556 10 0 FFAEMO C[C@H]1CN(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000175643155 510709322 /nfs/dbraw/zinc/70/93/22/510709322.db2.gz QWNIBCWOILCXEV-XJKSGUPXSA-N 1 1 371.403 2.568 10 0 FFAEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c2cnn(C)c2n1 ZINC000175653796 510715672 /nfs/dbraw/zinc/71/56/72/510715672.db2.gz DTEODCQFOXTHCJ-MRXNPFEDSA-N 1 1 361.449 2.902 10 0 FFAEMO CC[C@H](CSc1ccccc1)NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000182041079 510725568 /nfs/dbraw/zinc/72/55/68/510725568.db2.gz OLIJHWJDDGXNGZ-SJORKVTESA-N 1 1 365.543 2.655 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000175673285 510726567 /nfs/dbraw/zinc/72/65/67/510726567.db2.gz HBMBTOXTZHGCFK-LJQANCHMSA-N 1 1 364.453 2.751 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCOc2ccc(OC)cc2)C1 ZINC000172439165 510727953 /nfs/dbraw/zinc/72/79/53/510727953.db2.gz XPRHDNJXAZZQFN-INIZCTEOSA-N 1 1 372.469 2.880 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCCC[C@@H]3O)CC2)[nH+]1 ZINC000178703796 510730576 /nfs/dbraw/zinc/73/05/76/510730576.db2.gz NTQJPPMRGGTFTC-PXNSSMCTSA-N 1 1 360.502 2.599 10 0 FFAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000191581256 510734735 /nfs/dbraw/zinc/73/47/35/510734735.db2.gz GMPIMWYRGQYMLG-IRXDYDNUSA-N 1 1 350.503 2.997 10 0 FFAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000191581256 510734742 /nfs/dbraw/zinc/73/47/42/510734742.db2.gz GMPIMWYRGQYMLG-IRXDYDNUSA-N 1 1 350.503 2.997 10 0 FFAEMO Cc1ncccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583922 510736437 /nfs/dbraw/zinc/73/64/37/510736437.db2.gz JXYQTCJVMITEGL-MRXNPFEDSA-N 1 1 361.486 2.658 10 0 FFAEMO Cc1ncccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583922 510736440 /nfs/dbraw/zinc/73/64/40/510736440.db2.gz JXYQTCJVMITEGL-MRXNPFEDSA-N 1 1 361.486 2.658 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1C ZINC000246906694 510739409 /nfs/dbraw/zinc/73/94/09/510739409.db2.gz LVEBIMQFZJMHDG-JKSUJKDBSA-N 1 1 372.469 2.765 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C[C@@H]1C ZINC000246906694 510739415 /nfs/dbraw/zinc/73/94/15/510739415.db2.gz LVEBIMQFZJMHDG-JKSUJKDBSA-N 1 1 372.469 2.765 10 0 FFAEMO C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182071419 510741158 /nfs/dbraw/zinc/74/11/58/510741158.db2.gz UFTKOEQXUKJEJV-INIZCTEOSA-N 1 1 363.461 2.750 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911774 510741924 /nfs/dbraw/zinc/74/19/24/510741924.db2.gz AFKSCYREEWVHOQ-WBVHZDCISA-N 1 1 351.458 2.819 10 0 FFAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CC(=O)N(C)c2ccccc2)C1 ZINC000195259226 510743359 /nfs/dbraw/zinc/74/33/59/510743359.db2.gz AQXZPIFCHACEJH-KRWDZBQOSA-N 1 1 372.538 2.868 10 0 FFAEMO CCOCC[N@H+]1CCN(C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000246916839 510745450 /nfs/dbraw/zinc/74/54/50/510745450.db2.gz AIZIFVUHOWSHCJ-QUCCMNQESA-N 1 1 372.509 2.622 10 0 FFAEMO CCOCCN1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000246916839 510745457 /nfs/dbraw/zinc/74/54/57/510745457.db2.gz AIZIFVUHOWSHCJ-QUCCMNQESA-N 1 1 372.509 2.622 10 0 FFAEMO CCOCCN1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000246916839 510745465 /nfs/dbraw/zinc/74/54/65/510745465.db2.gz AIZIFVUHOWSHCJ-QUCCMNQESA-N 1 1 372.509 2.622 10 0 FFAEMO COC(=O)[C@H](c1ccccc1)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195269624 510747900 /nfs/dbraw/zinc/74/79/00/510747900.db2.gz JACKIMKZKNAGSP-ICSRJNTNSA-N 1 1 353.466 2.750 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 ZINC000195268384 510748178 /nfs/dbraw/zinc/74/81/78/510748178.db2.gz MNLLYMBCQYTPJV-HNNXBMFYSA-N 1 1 363.483 2.788 10 0 FFAEMO CC[C@@H]1CN(C(=O)[C@H](C)CCc2ccccc2F)CC[N@H+]1C[C@@H](C)O ZINC000246930891 510752541 /nfs/dbraw/zinc/75/25/41/510752541.db2.gz RHXVULROSDFKAF-JFIYKMOQSA-N 1 1 350.478 2.698 10 0 FFAEMO COC(=O)c1oc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753834 /nfs/dbraw/zinc/75/38/34/510753834.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 1 1 357.454 2.724 10 0 FFAEMO COC(=O)c1oc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753845 /nfs/dbraw/zinc/75/38/45/510753845.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 1 1 357.454 2.724 10 0 FFAEMO COC(=O)c1oc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000195276735 510753856 /nfs/dbraw/zinc/75/38/56/510753856.db2.gz UNIBGEHFOVDJLW-QGZVFWFLSA-N 1 1 357.454 2.724 10 0 FFAEMO COC(=O)c1oc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754149 /nfs/dbraw/zinc/75/41/49/510754149.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 1 1 357.454 2.724 10 0 FFAEMO COC(=O)c1oc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754157 /nfs/dbraw/zinc/75/41/57/510754157.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 1 1 357.454 2.724 10 0 FFAEMO COC(=O)c1oc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000195276755 510754165 /nfs/dbraw/zinc/75/41/65/510754165.db2.gz UNIBGEHFOVDJLW-KRWDZBQOSA-N 1 1 357.454 2.724 10 0 FFAEMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000246937483 510756884 /nfs/dbraw/zinc/75/68/84/510756884.db2.gz JUEAJCQUPCJOHR-ZVDOUQERSA-N 1 1 371.525 2.929 10 0 FFAEMO C[C@H]1CN(C(=O)NCCCc2ccc(Cl)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000175739597 510764443 /nfs/dbraw/zinc/76/44/43/510764443.db2.gz IOCYCKDAZSMGAW-MAUKXSAKSA-N 1 1 365.905 2.635 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000246955190 510765837 /nfs/dbraw/zinc/76/58/37/510765837.db2.gz MFTUXLIJEYJRRQ-IRXDYDNUSA-N 1 1 352.438 2.968 10 0 FFAEMO CC1CCC(N(C)C(=O)CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766926 /nfs/dbraw/zinc/76/69/26/510766926.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 1 1 372.557 2.872 10 0 FFAEMO CC1CCC(N(C)C(=O)C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766930 /nfs/dbraw/zinc/76/69/30/510766930.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 1 1 372.557 2.872 10 0 FFAEMO CC1CCC(N(C)C(=O)C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000195294355 510766938 /nfs/dbraw/zinc/76/69/38/510766938.db2.gz NQJRVMMHRSDVSY-VEDCXYSMSA-N 1 1 372.557 2.872 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000246965104 510773593 /nfs/dbraw/zinc/77/35/93/510773593.db2.gz DLLFMZNIVNQJCW-YOEHRIQHSA-N 1 1 372.444 2.894 10 0 FFAEMO Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1NC(=O)c1ccco1 ZINC000195316005 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CCSc1ccc(Cl)cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245913339 510203948 /nfs/dbraw/zinc/20/39/48/510203948.db2.gz XLSPICQWHBWNNR-STQMWFEESA-N 1 1 356.919 2.979 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)OC)C1 ZINC000171524106 510206902 /nfs/dbraw/zinc/20/69/02/510206902.db2.gz VIFMRSGJZSXSNC-OAHLLOKOSA-N 1 1 370.453 2.508 10 0 FFAEMO CC[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000171527634 510208823 /nfs/dbraw/zinc/20/88/23/510208823.db2.gz OMQVQKFSZPPOEJ-IRXDYDNUSA-N 1 1 361.877 2.836 10 0 FFAEMO CC[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)c1ccc(Cl)cc1 ZINC000171527634 510208828 /nfs/dbraw/zinc/20/88/28/510208828.db2.gz OMQVQKFSZPPOEJ-IRXDYDNUSA-N 1 1 361.877 2.836 10 0 FFAEMO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000171526694 510208913 /nfs/dbraw/zinc/20/89/13/510208913.db2.gz ITTWTCMABXMJIL-IBGZPJMESA-N 1 1 368.485 2.544 10 0 FFAEMO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000171526694 510208915 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510240192 /nfs/dbraw/zinc/24/01/92/510240192.db2.gz CTWVDKOHNSXXKE-IRXDYDNUSA-N 1 1 360.502 2.514 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(OC)c(OC)cc1F ZINC000245994237 510242127 /nfs/dbraw/zinc/24/21/27/510242127.db2.gz DXIZEFNEKOWVHZ-OLZOCXBDSA-N 1 1 351.422 2.933 10 0 FFAEMO CC[C@H]1CN(C(=O)NCc2cccc(CSC)c2)CC[N@H+]1CCOC ZINC000187401062 510244177 /nfs/dbraw/zinc/24/41/77/510244177.db2.gz NRNVDLNHCXNOIL-SFHVURJKSA-N 1 1 365.543 2.802 10 0 FFAEMO CNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000174673850 510244375 /nfs/dbraw/zinc/24/43/75/510244375.db2.gz JOJZFJJYNWKSNN-UHFFFAOYSA-N 1 1 367.453 2.540 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3ccccn3)CC2)C1 ZINC000184301519 510249232 /nfs/dbraw/zinc/24/92/32/510249232.db2.gz RUTYNSGMGQXEKH-IBGZPJMESA-N 1 1 373.545 2.671 10 0 FFAEMO CC(C)[C@@H](C(=O)N1CCC[C@@H](c2nccs2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246056032 510266662 /nfs/dbraw/zinc/26/66/62/510266662.db2.gz XJQBUOWYTNRCRI-VQHPVUNQSA-N 1 1 365.543 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ZINC000246103332 510295045 /nfs/dbraw/zinc/29/50/45/510295045.db2.gz IFOCPQVYFQZKGG-SJLPKXTDSA-N 1 1 370.472 2.968 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccc(F)cc3)C2)n1 ZINC000246103332 510295049 /nfs/dbraw/zinc/29/50/49/510295049.db2.gz IFOCPQVYFQZKGG-SJLPKXTDSA-N 1 1 370.472 2.968 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NOCc2ccccc2)C1 ZINC000190707091 510296727 /nfs/dbraw/zinc/29/67/27/510296727.db2.gz IQFKXNPZGYGNHG-LJQANCHMSA-N 1 1 354.454 2.677 10 0 FFAEMO C[C@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000177878392 510304863 /nfs/dbraw/zinc/30/48/63/510304863.db2.gz QOYURUFHJPSJGD-BBRMVZONSA-N 1 1 371.403 2.976 10 0 FFAEMO C[C@@H]1CN(C(=O)Nc2cccc(CC(F)(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177881985 510307555 /nfs/dbraw/zinc/30/75/55/510307555.db2.gz BVRVBTAVPFYKCH-CZUORRHYSA-N 1 1 371.403 2.976 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCC[C@@H]2CCCCO2)C1 ZINC000190733137 510316138 /nfs/dbraw/zinc/31/61/38/510316138.db2.gz IUAFFNFXUGEPRD-OALUTQOASA-N 1 1 360.502 2.504 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC2Cc3ccccc3C2)C1 ZINC000190734565 510316831 /nfs/dbraw/zinc/31/68/31/510316831.db2.gz UVTBFCPDQWLPPM-GOSISDBHSA-N 1 1 364.493 2.712 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2F)C1 ZINC000181298793 510343624 /nfs/dbraw/zinc/34/36/24/510343624.db2.gz BBQQLPWAPOJXIO-AWEZNQCLSA-N 1 1 351.447 2.919 10 0 FFAEMO CN1CC[NH+](Cc2ccc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2)CC1 ZINC000174853349 510344268 /nfs/dbraw/zinc/34/42/68/510344268.db2.gz RVIVQLPPPPGERD-FQEVSTJZSA-N 1 1 367.497 2.525 10 0 FFAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C(C)C)c1 ZINC000177972907 510353828 /nfs/dbraw/zinc/35/38/28/510353828.db2.gz PJDNXPMGWSWUMS-GOSISDBHSA-N 1 1 354.454 2.945 10 0 FFAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000181319641 510354943 /nfs/dbraw/zinc/35/49/43/510354943.db2.gz FPXCNTOSKQSZKW-INIZCTEOSA-N 1 1 355.486 2.819 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)Cc2ccc(-c3ccccc3)cc2)cn1 ZINC000181357591 510373073 /nfs/dbraw/zinc/37/30/73/510373073.db2.gz VEVKZWOBPWLTDG-OAQYLSRUSA-N 1 1 360.461 2.803 10 0 FFAEMO CCOC(C)(C)CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000187663950 510376287 /nfs/dbraw/zinc/37/62/87/510376287.db2.gz XSGQHEGYVNDJRO-HNNXBMFYSA-N 1 1 368.547 2.730 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CSc2ccc3ccccc3c2)cn1 ZINC000181367053 510376595 /nfs/dbraw/zinc/37/65/95/510376595.db2.gz DKOBXMVXFGLHGG-LJQANCHMSA-N 1 1 366.490 2.839 10 0 FFAEMO COc1ccc(OCCC[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000174901532 510376648 /nfs/dbraw/zinc/37/66/48/510376648.db2.gz HIBOECYGCUARDJ-LJQANCHMSA-N 1 1 361.530 2.566 10 0 FFAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000246236955 510382239 /nfs/dbraw/zinc/38/22/39/510382239.db2.gz UBZAGZLXWUEJHY-AWEZNQCLSA-N 1 1 357.376 2.694 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ncc(-c3ccccc3)cn2)C1 ZINC000184553585 510386404 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UPDIPANYXYVTCW-KXBFYZLASA-N 1 1 367.449 2.509 10 0 FFAEMO COc1cccc(OC)c1CC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000122176576 508494066 /nfs/dbraw/zinc/49/40/66/508494066.db2.gz VLBHXKPXPLNVMO-UHFFFAOYSA-N 1 1 369.465 2.735 10 0 FFAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000116316969 508498478 /nfs/dbraw/zinc/49/84/78/508498478.db2.gz HGXIIAKGTWMXMD-LBPRGKRZSA-N 1 1 368.359 2.747 10 0 FFAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000116316969 508498480 /nfs/dbraw/zinc/49/84/80/508498480.db2.gz HGXIIAKGTWMXMD-LBPRGKRZSA-N 1 1 368.359 2.747 10 0 FFAEMO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319673 508499545 /nfs/dbraw/zinc/49/95/45/508499545.db2.gz AIOHGNYBIRPBSA-ZDUSSCGKSA-N 1 1 362.861 2.900 10 0 FFAEMO CC1CC[NH+](C2CCC(NC(=O)N3CCN4CCCC[C@@H]4C3)CC2)CC1 ZINC000152774044 508513443 /nfs/dbraw/zinc/51/34/43/508513443.db2.gz GCXRJMGUMUYVLX-SOAGJPPSSA-N 1 1 362.562 2.909 10 0 FFAEMO 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/nfs/dbraw/zinc/53/29/80/510532980.db2.gz QZSKALZVLVAOSQ-XJKSGUPXSA-N 1 1 362.861 2.543 10 0 FFAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCCc1ccccc1C ZINC000178304702 510535442 /nfs/dbraw/zinc/53/54/42/510535442.db2.gz WTMAZISMPQOYSX-YLJYHZDGSA-N 1 1 354.498 2.712 10 0 FFAEMO COc1ccc(-c2nc(C[N@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)co2)cc1 ZINC000246544710 510548314 /nfs/dbraw/zinc/54/83/14/510548314.db2.gz SZFIRIDZQGZXSN-HNAYVOBHSA-N 1 1 357.454 2.503 10 0 FFAEMO C[C@H](OC[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246549683 510550020 /nfs/dbraw/zinc/55/00/20/510550020.db2.gz KILWBBWFGYQUFR-ZYSHUDEJSA-N 1 1 352.906 2.949 10 0 FFAEMO C[C@H](OC[C@H](O)C[N@@H+]1CCN2CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246549683 510550022 /nfs/dbraw/zinc/55/00/22/510550022.db2.gz KILWBBWFGYQUFR-ZYSHUDEJSA-N 1 1 352.906 2.949 10 0 FFAEMO C[C@H](OC[C@H](O)C[N@H+]1CCN2CCCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000246549683 510550027 /nfs/dbraw/zinc/55/00/27/510550027.db2.gz KILWBBWFGYQUFR-ZYSHUDEJSA-N 1 1 352.906 2.949 10 0 FFAEMO Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246595524 510575177 /nfs/dbraw/zinc/57/51/77/510575177.db2.gz ZEFSPZZWKVMHRK-HOTGVXAUSA-N 1 1 361.530 2.980 10 0 FFAEMO Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246595524 510575182 /nfs/dbraw/zinc/57/51/82/510575182.db2.gz ZEFSPZZWKVMHRK-HOTGVXAUSA-N 1 1 361.530 2.980 10 0 FFAEMO C[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246609504 510581400 /nfs/dbraw/zinc/58/14/00/510581400.db2.gz BOJIRCASKIOKQR-VVLHAWIVSA-N 1 1 355.486 2.697 10 0 FFAEMO Cc1ncc(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000172194751 510593423 /nfs/dbraw/zinc/59/34/23/510593423.db2.gz DUENXGVJUPWAER-KBXCAEBGSA-N 1 1 373.526 2.899 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(C)Cc1ccc(O)cc1 ZINC000172194574 510593821 /nfs/dbraw/zinc/59/38/21/510593821.db2.gz KOCDBDZEMMECTD-UZLBHIALSA-N 1 1 368.481 2.839 10 0 FFAEMO C[C@H](c1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1)N1CCOCC1 ZINC000246650166 510600451 /nfs/dbraw/zinc/60/04/51/510600451.db2.gz FRXLFNDMCTZBOD-XLIONFOSSA-N 1 1 372.513 2.782 10 0 FFAEMO Cc1coc2ccc(NC(=O)C(=O)N3CCC[C@H]3Cn3cc[nH+]c3C)cc12 ZINC000184969866 510609939 /nfs/dbraw/zinc/60/99/39/510609939.db2.gz XUCOOTZEFLIKEI-INIZCTEOSA-N 1 1 366.421 2.876 10 0 FFAEMO COc1cccc(-c2cc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)[nH]n2)c1 ZINC000246675171 510611194 /nfs/dbraw/zinc/61/11/94/510611194.db2.gz MGFUTTYCXKOMJD-KXBFYZLASA-N 1 1 354.454 2.642 10 0 FFAEMO COc1cccc(-c2cc(C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)n[nH]2)c1 ZINC000246675171 510611205 /nfs/dbraw/zinc/61/12/05/510611205.db2.gz MGFUTTYCXKOMJD-KXBFYZLASA-N 1 1 354.454 2.642 10 0 FFAEMO COc1cccc(-c2cc(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)n[nH]2)c1 ZINC000246675171 510611211 /nfs/dbraw/zinc/61/12/11/510611211.db2.gz MGFUTTYCXKOMJD-KXBFYZLASA-N 1 1 354.454 2.642 10 0 FFAEMO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000191339434 510612874 /nfs/dbraw/zinc/61/28/74/510612874.db2.gz FUASAHGHOBXLMV-UHFFFAOYSA-N 1 1 370.545 2.594 10 0 FFAEMO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@](C)(O)C(C)C)CC2)cc1 ZINC000184994047 510623428 /nfs/dbraw/zinc/62/34/28/510623428.db2.gz MZYFLMUSWAZONW-NRFANRHFSA-N 1 1 362.514 2.569 10 0 FFAEMO COc1ccc([C@@H]2CCCN2C(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246742380 510648092 /nfs/dbraw/zinc/64/80/92/510648092.db2.gz MUOGJIKLAIOQAO-POAQFYNOSA-N 1 1 359.514 2.773 10 0 FFAEMO O=C(Nc1ccsc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccncc1 ZINC000195055145 510648675 /nfs/dbraw/zinc/64/86/75/510648675.db2.gz KJHCFLGOLKGPFA-HNNXBMFYSA-N 1 1 370.478 2.706 10 0 FFAEMO O=C(Nc1ccsc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccncc1 ZINC000195055145 510648686 /nfs/dbraw/zinc/64/86/86/510648686.db2.gz KJHCFLGOLKGPFA-HNNXBMFYSA-N 1 1 370.478 2.706 10 0 FFAEMO CC(C)[N@H+]1CCO[C@H](CN2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000178529844 510649682 /nfs/dbraw/zinc/64/96/82/510649682.db2.gz ZMAUFWCWGIGXKB-HXUWFJFHSA-N 1 1 357.498 2.660 10 0 FFAEMO CC[C@H]1CN(C(=O)CCCc2cc(C)sc2C)CC[N@H+]1C[C@@H](C)O ZINC000175446042 510651292 /nfs/dbraw/zinc/65/12/92/510651292.db2.gz ZMMBMUUFHGJPDC-KDOFPFPSSA-N 1 1 352.544 2.991 10 0 FFAEMO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195056612 510651566 /nfs/dbraw/zinc/65/15/66/510651566.db2.gz BUNRVOBBQRGZFP-IBGZPJMESA-N 1 1 370.472 2.867 10 0 FFAEMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000246758199 510657059 /nfs/dbraw/zinc/65/70/59/510657059.db2.gz XYSHBLFMWCSPOM-QZTJIDSGSA-N 1 1 361.461 2.799 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cnc2ccccc2n1 ZINC000172307430 510659084 /nfs/dbraw/zinc/65/90/84/510659084.db2.gz OAGPRSZQDUUTLT-WBVHZDCISA-N 1 1 361.449 2.665 10 0 FFAEMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1C ZINC000246764002 510659955 /nfs/dbraw/zinc/65/99/55/510659955.db2.gz HUKIGGMTBQOXAR-OXJNMPFZSA-N 1 1 359.470 2.579 10 0 FFAEMO CC[C@@H]1CN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC[N@H+]1C[C@H](C)O ZINC000246767953 510661063 /nfs/dbraw/zinc/66/10/63/510661063.db2.gz IAIASPTYEZBSRI-WMLDXEAASA-N 1 1 352.906 2.921 10 0 FFAEMO CSCc1nc2ccccc2n1CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195079726 510662479 /nfs/dbraw/zinc/66/24/79/510662479.db2.gz ZTUMAKDPQAAEIR-HNNXBMFYSA-N 1 1 358.511 2.596 10 0 FFAEMO CCOC(=O)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1C ZINC000175487665 510663279 /nfs/dbraw/zinc/66/32/79/510663279.db2.gz QQLXMYKJTGMVOL-AEFFLSMTSA-N 1 1 361.486 2.630 10 0 FFAEMO Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000246801160 510681996 /nfs/dbraw/zinc/68/19/96/510681996.db2.gz MWBYNTFUROTTHW-FXAWDEMLSA-N 1 1 359.489 2.699 10 0 FFAEMO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000185098416 510684366 /nfs/dbraw/zinc/68/43/66/510684366.db2.gz MMEZEXJXYOFGHO-QZTJIDSGSA-N 1 1 358.438 2.665 10 0 FFAEMO Cc1cc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](N4CCOCC4)C3)n2)ccc1F ZINC000246807194 510685372 /nfs/dbraw/zinc/68/53/72/510685372.db2.gz BONOCSAUABLKJI-GOEBONIOSA-N 1 1 360.433 2.652 10 0 FFAEMO Cc1cc(-c2noc([C@H](C)[N@H+]3CC[C@@H](N4CCOCC4)C3)n2)ccc1F ZINC000246807194 510685382 /nfs/dbraw/zinc/68/53/82/510685382.db2.gz BONOCSAUABLKJI-GOEBONIOSA-N 1 1 360.433 2.652 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000181979074 510690430 /nfs/dbraw/zinc/69/04/30/510690430.db2.gz WJJZFQQAKAUBMF-ZWKOTPCHSA-N 1 1 368.485 2.611 10 0 FFAEMO CCCCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000195185207 510705083 /nfs/dbraw/zinc/70/50/83/510705083.db2.gz CZKUBEOKUJNAAS-RTBURBONSA-N 1 1 363.502 2.840 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000246848083 510707746 /nfs/dbraw/zinc/70/77/46/510707746.db2.gz LOFVMQHPLUYHIM-WQZMEWCLSA-N 1 1 374.529 2.532 10 0 FFAEMO O=C(CCSc1ccc2c(c1)OCCO2)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000172405562 510710695 /nfs/dbraw/zinc/71/06/95/510710695.db2.gz GFUZURBSWMPXMD-HNNXBMFYSA-N 1 1 362.495 2.637 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000172435196 510725758 /nfs/dbraw/zinc/72/57/58/510725758.db2.gz HACBWZNSECEUCK-MRXNPFEDSA-N 1 1 370.453 2.763 10 0 FFAEMO C[C@@H]1CN(C(=O)NCCc2cccc3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000175673488 510727189 /nfs/dbraw/zinc/72/71/89/510727189.db2.gz KTUUZAOCEYCYCA-UTKZUKDTSA-N 1 1 367.493 2.744 10 0 FFAEMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000246886893 510728528 /nfs/dbraw/zinc/72/85/28/510728528.db2.gz DMPUWSBVWZCFMK-GGPKGHCWSA-N 1 1 351.535 2.835 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCOCC(F)(F)F)C1 ZINC000172444361 510729428 /nfs/dbraw/zinc/72/94/28/510729428.db2.gz UBDIWXMJCGFCGR-CYBMUJFWSA-N 1 1 362.396 2.761 10 0 FFAEMO Cc1cccc(N2CCC(NC(=O)NC[C@@]3(C)CCCC[C@@H]3O)CC2)[nH+]1 ZINC000178703811 510729947 /nfs/dbraw/zinc/72/99/47/510729947.db2.gz NTQJPPMRGGTFTC-FXAWDEMLSA-N 1 1 360.502 2.599 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000246900400 510734203 /nfs/dbraw/zinc/73/42/03/510734203.db2.gz AHTUALKOWGCGBZ-GOEBONIOSA-N 1 1 358.404 2.902 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC000246900400 510734207 /nfs/dbraw/zinc/73/42/07/510734207.db2.gz AHTUALKOWGCGBZ-GOEBONIOSA-N 1 1 358.404 2.902 10 0 FFAEMO Cc1cc(C)c(CCNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000175693944 510738220 /nfs/dbraw/zinc/73/82/20/510738220.db2.gz BTQXDWPZGOYHKL-QUCCMNQESA-N 1 1 359.514 2.516 10 0 FFAEMO CC[C@@H]1CN(C(=O)CCc2c[nH]c3c2cccc3C)CC[N@H+]1C[C@H](C)O ZINC000246910998 510741131 /nfs/dbraw/zinc/74/11/31/510741131.db2.gz QELNCFJGDKMCIA-FUHWJXTLSA-N 1 1 357.498 2.713 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000246911731 510741854 /nfs/dbraw/zinc/74/18/54/510741854.db2.gz AFKSCYREEWVHOQ-NVXWUHKLSA-N 1 1 351.458 2.819 10 0 FFAEMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CN2C(=O)c3ccccc3C2=O)o1 ZINC000246920282 510746344 /nfs/dbraw/zinc/74/63/44/510746344.db2.gz QAOFWCWGFBORLQ-CRAIPNDOSA-N 1 1 368.433 2.772 10 0 FFAEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000195282328 510757482 /nfs/dbraw/zinc/75/74/82/510757482.db2.gz QOMKAMLAPODAGN-FGZHOGPDSA-N 1 1 353.510 2.829 10 0 FFAEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000195294020 510765610 /nfs/dbraw/zinc/76/56/10/510765610.db2.gz IFMQYXZXOFYOQT-MRXNPFEDSA-N 1 1 374.435 2.752 10 0 FFAEMO CN(C)C(=O)c1cccc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195293551 510765820 /nfs/dbraw/zinc/76/58/20/510765820.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 1 1 366.509 2.737 10 0 FFAEMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195293551 510765826 /nfs/dbraw/zinc/76/58/26/510765826.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 1 1 366.509 2.737 10 0 FFAEMO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000195293551 510765833 /nfs/dbraw/zinc/76/58/33/510765833.db2.gz KYSQISRZBGQMSN-HXUWFJFHSA-N 1 1 366.509 2.737 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000175744809 510767025 /nfs/dbraw/zinc/76/70/25/510767025.db2.gz WNBFZVNIIJTNPF-DOTOQJQBSA-N 1 1 371.485 2.847 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCOc1ccccc1 ZINC000246960929 510769863 /nfs/dbraw/zinc/76/98/63/510769863.db2.gz JRIMGXQIAQXCEO-YLJYHZDGSA-N 1 1 368.481 2.670 10 0 FFAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCc2nc3c(s2)CCCC3)C1 ZINC000246961409 510772011 /nfs/dbraw/zinc/77/20/11/510772011.db2.gz FUOFOHYBSGIMMX-GOEBONIOSA-N 1 1 364.559 2.982 10 0 FFAEMO CC[C@@H]1CN(CCC(=O)Nc2ccccc2SC)CC[N@H+]1C[C@H](C)O ZINC000246965853 510773617 /nfs/dbraw/zinc/77/36/17/510773617.db2.gz BUSWKFHYMHJFGT-JKSUJKDBSA-N 1 1 365.543 2.514 10 0 FFAEMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2SC)CCN1C[C@H](C)O ZINC000246965853 510773619 /nfs/dbraw/zinc/77/36/19/510773619.db2.gz BUSWKFHYMHJFGT-JKSUJKDBSA-N 1 1 365.543 2.514 10 0 FFAEMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CCN1C[C@H](C)O ZINC000246965853 510773623 /nfs/dbraw/zinc/77/36/23/510773623.db2.gz BUSWKFHYMHJFGT-JKSUJKDBSA-N 1 1 365.543 2.514 10 0 FFAEMO 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CCOCC[N@H+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)C[C@H]1C ZINC000117274311 508586106 /nfs/dbraw/zinc/58/61/06/508586106.db2.gz AUXOUQKZFKCLTP-GOSISDBHSA-N 1 1 374.529 2.501 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)C[C@@H]1C ZINC000117279814 508586954 /nfs/dbraw/zinc/58/69/54/508586954.db2.gz FFTCWDCBDFQXSC-SFHVURJKSA-N 1 1 374.529 2.645 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)nc2)C[C@@H]1C ZINC000117279814 508586958 /nfs/dbraw/zinc/58/69/58/508586958.db2.gz FFTCWDCBDFQXSC-SFHVURJKSA-N 1 1 374.529 2.645 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2cn(CC)c3ccccc23)C[C@H]1C ZINC000117277095 508587295 /nfs/dbraw/zinc/58/72/95/508587295.db2.gz LRSCIVVHHUTRND-QGZVFWFLSA-N 1 1 357.498 2.773 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Cc2cn(CC)c3ccccc23)C[C@H]1C ZINC000117277095 508587299 /nfs/dbraw/zinc/58/72/99/508587299.db2.gz LRSCIVVHHUTRND-QGZVFWFLSA-N 1 1 357.498 2.773 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(-c3ccco3)nc2C)C[C@@H]1C ZINC000117275628 508587514 /nfs/dbraw/zinc/58/75/14/508587514.db2.gz DGOIEMGFZGIBIS-HNNXBMFYSA-N 1 1 357.454 2.833 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(-c3ccco3)nc2C)C[C@@H]1C ZINC000117275628 508587515 /nfs/dbraw/zinc/58/75/15/508587515.db2.gz DGOIEMGFZGIBIS-HNNXBMFYSA-N 1 1 357.454 2.833 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C[C@H]1C ZINC000117277864 508587520 /nfs/dbraw/zinc/58/75/20/508587520.db2.gz FIRHRFDDPKCTSQ-MRXNPFEDSA-N 1 1 364.486 2.665 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(OC(C)C)c(OC)c2)C[C@H]1C ZINC000117277864 508587521 /nfs/dbraw/zinc/58/75/21/508587521.db2.gz FIRHRFDDPKCTSQ-MRXNPFEDSA-N 1 1 364.486 2.665 10 0 FFAEMO CCOCC[N@@H+]1CCN(C(=O)Cc2c[nH]c3c2cccc3CC)C[C@H]1C ZINC000117283887 508588064 /nfs/dbraw/zinc/58/80/64/508588064.db2.gz NNCDIYQNAIFRGD-MRXNPFEDSA-N 1 1 357.498 2.842 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Cc2c[nH]c3c2cccc3CC)C[C@H]1C ZINC000117283887 508588070 /nfs/dbraw/zinc/58/80/70/508588070.db2.gz NNCDIYQNAIFRGD-MRXNPFEDSA-N 1 1 357.498 2.842 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@@H+]1CCOC ZINC000117303518 508590291 /nfs/dbraw/zinc/59/02/91/508590291.db2.gz HYNNPWIJSXAPLZ-INIZCTEOSA-N 1 1 362.518 2.698 10 0 FFAEMO CC[C@H]1CN(C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC[N@H+]1CCOC ZINC000117303518 508590294 /nfs/dbraw/zinc/59/02/94/508590294.db2.gz HYNNPWIJSXAPLZ-INIZCTEOSA-N 1 1 362.518 2.698 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000117433302 508598764 /nfs/dbraw/zinc/59/87/64/508598764.db2.gz CUEPVUMTKPBYFS-LBPRGKRZSA-N 1 1 356.264 2.634 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000117433302 508598769 /nfs/dbraw/zinc/59/87/69/508598769.db2.gz CUEPVUMTKPBYFS-LBPRGKRZSA-N 1 1 356.264 2.634 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000117398259 508596433 /nfs/dbraw/zinc/59/64/33/508596433.db2.gz AESVESHPIQIGEX-AWEZNQCLSA-N 1 1 373.419 2.610 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000117398259 508596435 /nfs/dbraw/zinc/59/64/35/508596435.db2.gz AESVESHPIQIGEX-AWEZNQCLSA-N 1 1 373.419 2.610 10 0 FFAEMO CCC[C@@H](C)N1C[C@@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1=O ZINC000157686950 508596672 /nfs/dbraw/zinc/59/66/72/508596672.db2.gz LSFAOUHIHMKKRK-SJORKVTESA-N 1 1 372.513 2.512 10 0 FFAEMO CCC[C@@H](C)N1C[C@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1=O ZINC000157686655 508597196 /nfs/dbraw/zinc/59/71/96/508597196.db2.gz LSFAOUHIHMKKRK-IAGOWNOFSA-N 1 1 372.513 2.512 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C ZINC000117440591 508597893 /nfs/dbraw/zinc/59/78/93/508597893.db2.gz RANVHSXSDYKLMC-CYBMUJFWSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(C)c(Br)c2)C[C@H]1C ZINC000117440591 508597897 /nfs/dbraw/zinc/59/78/97/508597897.db2.gz RANVHSXSDYKLMC-CYBMUJFWSA-N 1 1 370.291 2.942 10 0 FFAEMO COCC[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)C[C@H]1C ZINC000117479465 508601061 /nfs/dbraw/zinc/60/10/61/508601061.db2.gz IIKOHYJASXLTRC-CZUORRHYSA-N 1 1 367.490 2.725 10 0 FFAEMO COCC[N@H+]1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)C[C@H]1C ZINC000117479465 508601062 /nfs/dbraw/zinc/60/10/62/508601062.db2.gz IIKOHYJASXLTRC-CZUORRHYSA-N 1 1 367.490 2.725 10 0 FFAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000128544261 508608780 /nfs/dbraw/zinc/60/87/80/508608780.db2.gz DOCYYAPGVOUKBR-INIZCTEOSA-N 1 1 354.520 2.592 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1 ZINC000128544585 508609168 /nfs/dbraw/zinc/60/91/68/508609168.db2.gz CTVKBTLJOWPKFZ-OAHLLOKOSA-N 1 1 363.483 2.788 10 0 FFAEMO COc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(OC(F)F)c1 ZINC000128576367 508613669 /nfs/dbraw/zinc/61/36/69/508613669.db2.gz IQKMGHIYIVYMCA-ZDUSSCGKSA-N 1 1 352.385 2.800 10 0 FFAEMO COc1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(SC)cc1OC ZINC000128604774 508617403 /nfs/dbraw/zinc/61/74/03/508617403.db2.gz XATUYLWRTFYLBT-AWEZNQCLSA-N 1 1 362.499 2.929 10 0 FFAEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-c2ncco2)c1 ZINC000153823039 508656562 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/nfs/dbraw/zinc/74/77/38/508747738.db2.gz CFJPYGKNGXVBQQ-GOSISDBHSA-N 1 1 355.486 2.792 10 0 FFAEMO Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000129752934 508762682 /nfs/dbraw/zinc/76/26/82/508762682.db2.gz DEYSUNVDWIDDEG-GOSISDBHSA-N 1 1 369.469 2.784 10 0 FFAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000124044376 508775256 /nfs/dbraw/zinc/77/52/56/508775256.db2.gz AHRSMPHIYYKCEJ-WDEREUQCSA-N 1 1 364.795 2.886 10 0 FFAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C ZINC000124044376 508775257 /nfs/dbraw/zinc/77/52/57/508775257.db2.gz AHRSMPHIYYKCEJ-WDEREUQCSA-N 1 1 364.795 2.886 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)[C@H](C)Oc3cccc(C=O)c3)CC2)[nH+]c1 ZINC000124217449 508799205 /nfs/dbraw/zinc/79/92/05/508799205.db2.gz PZQUENOBCDZTHK-INIZCTEOSA-N 1 1 367.449 2.755 10 0 FFAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)Cc3ccccc3F)CC2)cn1 ZINC000159175910 508803710 /nfs/dbraw/zinc/80/37/10/508803710.db2.gz MWFLUSDNCFJFRS-QGZVFWFLSA-N 1 1 372.488 2.955 10 0 FFAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)Cc3ccccc3F)CC2)cn1 ZINC000159175910 508803714 /nfs/dbraw/zinc/80/37/14/508803714.db2.gz MWFLUSDNCFJFRS-QGZVFWFLSA-N 1 1 372.488 2.955 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)CCn3cnc4ccccc43)CC2)[nH+]c1 ZINC000124266650 508806121 /nfs/dbraw/zinc/80/61/21/508806121.db2.gz VDVPLXUFKDNHGS-UHFFFAOYSA-N 1 1 363.465 2.915 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2ccnc2)C1 ZINC000159251124 508814544 /nfs/dbraw/zinc/81/45/44/508814544.db2.gz QAJPKJYJSOATCK-INIZCTEOSA-N 1 1 357.458 2.568 10 0 FFAEMO C[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000141333474 508814769 /nfs/dbraw/zinc/81/47/69/508814769.db2.gz CUMYRHQFTJIDSE-MRXNPFEDSA-N 1 1 370.497 2.754 10 0 FFAEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000119560887 508819211 /nfs/dbraw/zinc/81/92/11/508819211.db2.gz NNGRMXUKNHNFDN-WBVHZDCISA-N 1 1 352.442 2.725 10 0 FFAEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000119560887 508819214 /nfs/dbraw/zinc/81/92/14/508819214.db2.gz NNGRMXUKNHNFDN-WBVHZDCISA-N 1 1 352.442 2.725 10 0 FFAEMO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000154706719 508838231 /nfs/dbraw/zinc/83/82/31/508838231.db2.gz YJMFYENWVPZYOJ-QGZVFWFLSA-N 1 1 355.438 2.962 10 0 FFAEMO Cc1c(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1C(F)(F)F ZINC000119719467 508849704 /nfs/dbraw/zinc/84/97/04/508849704.db2.gz WICRVXCCTVJVFZ-CYBMUJFWSA-N 1 1 369.387 2.649 10 0 FFAEMO Cc1c(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cccc1C(F)(F)F ZINC000119719467 508849706 /nfs/dbraw/zinc/84/97/06/508849706.db2.gz WICRVXCCTVJVFZ-CYBMUJFWSA-N 1 1 369.387 2.649 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(NC(C)=O)cc2)C[C@@H]1CC ZINC000119786069 508862549 /nfs/dbraw/zinc/86/25/49/508862549.db2.gz DDTFUTDBRNMEIN-SFHVURJKSA-N 1 1 362.474 2.610 10 0 FFAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000150806312 508897326 /nfs/dbraw/zinc/89/73/26/508897326.db2.gz WHCUNAGAPKESFN-CJNGLKHVSA-N 1 1 372.494 2.594 10 0 FFAEMO CCOC(=O)CCCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124877412 508898310 /nfs/dbraw/zinc/89/83/10/508898310.db2.gz OXLMADGTJTUCRF-MRXNPFEDSA-N 1 1 350.459 2.829 10 0 FFAEMO CCOC(=O)CCCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(CC)o1 ZINC000124877412 508898312 /nfs/dbraw/zinc/89/83/12/508898312.db2.gz OXLMADGTJTUCRF-MRXNPFEDSA-N 1 1 350.459 2.829 10 0 FFAEMO CCN(Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)=O ZINC000119970827 508900787 /nfs/dbraw/zinc/90/07/87/508900787.db2.gz UCHDQDOQLHNELD-HNAYVOBHSA-N 1 1 360.502 2.905 10 0 FFAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)C(C)(C)c3ccc(F)cc3)C2)CC1 ZINC000155033721 508908306 /nfs/dbraw/zinc/90/83/06/508908306.db2.gz KDWKJFQZIGQJCD-IBGZPJMESA-N 1 1 361.505 2.732 10 0 FFAEMO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cn(-c3ccccc3)nn1)CC2 ZINC000150938668 508926224 /nfs/dbraw/zinc/92/62/24/508926224.db2.gz UFOXTOZLDUMZDI-HUUCEWRRSA-N 1 1 351.458 2.648 10 0 FFAEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(F)c(F)c3F)C2)CC1 ZINC000125083406 508928464 /nfs/dbraw/zinc/92/84/64/508928464.db2.gz CKIQYMLACHLDLO-CYBMUJFWSA-N 1 1 370.419 2.738 10 0 FFAEMO C[C@@H](CNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)C[NH+]1CCOCC1 ZINC000120100859 508928721 /nfs/dbraw/zinc/92/87/21/508928721.db2.gz QRXCMGUIUGKXNB-RDJZCZTQSA-N 1 1 361.486 2.556 10 0 FFAEMO C[C@H]1C[N@H+](C2CCN(Cc3nnc(-c4ccccc4)s3)CC2)CCO1 ZINC000155126929 508928852 /nfs/dbraw/zinc/92/88/52/508928852.db2.gz MTSGNJMVJANRMS-HNNXBMFYSA-N 1 1 358.511 2.890 10 0 FFAEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000125160067 508940145 /nfs/dbraw/zinc/94/01/45/508940145.db2.gz NAHIALVJHIDLPB-DZGCQCFKSA-N 1 1 360.458 2.936 10 0 FFAEMO CCOc1cc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)ccc1OC ZINC000120204281 508950045 /nfs/dbraw/zinc/95/00/45/508950045.db2.gz WXDFIYLSCUCBKW-QGZVFWFLSA-N 1 1 356.470 2.985 10 0 FFAEMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1)C(C)C ZINC000120348698 508977758 /nfs/dbraw/zinc/97/77/58/508977758.db2.gz KUQCZCZDULWIOH-UHFFFAOYSA-N 1 1 355.486 2.986 10 0 FFAEMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000120406384 508989498 /nfs/dbraw/zinc/98/94/98/508989498.db2.gz FUZYDJBKTXYFKS-MOPGFXCFSA-N 1 1 363.546 2.606 10 0 FFAEMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000120406384 508989501 /nfs/dbraw/zinc/98/95/01/508989501.db2.gz FUZYDJBKTXYFKS-MOPGFXCFSA-N 1 1 363.546 2.606 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000120591899 509027725 /nfs/dbraw/zinc/02/77/25/509027725.db2.gz WDQWXBKYQFAIEX-ZIAGYGMSSA-N 1 1 360.433 2.801 10 0 FFAEMO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000120614727 509031594 /nfs/dbraw/zinc/03/15/94/509031594.db2.gz CVWMPDFUNKSGDT-UHFFFAOYSA-N 1 1 353.348 2.573 10 0 FFAEMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120653187 509039036 /nfs/dbraw/zinc/03/90/36/509039036.db2.gz MEOFOTQKVRYKJY-HUUCEWRRSA-N 1 1 360.477 2.515 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)NC[C@@H](O)c3cccc(C)c3)CC2)[nH+]c1 ZINC000120669358 509042342 /nfs/dbraw/zinc/04/23/42/509042342.db2.gz MVGOXXUVOLLTEL-LJQANCHMSA-N 1 1 368.481 2.700 10 0 FFAEMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000155657330 509046537 /nfs/dbraw/zinc/04/65/37/509046537.db2.gz IJIYVHHATQJWJU-MRXNPFEDSA-N 1 1 373.526 2.603 10 0 FFAEMO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155657018 509046749 /nfs/dbraw/zinc/04/67/49/509046749.db2.gz URTZOGHZCYSVIT-DOTOQJQBSA-N 1 1 373.526 2.513 10 0 FFAEMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ncnc3sccc32)CC1 ZINC000155657452 509046890 /nfs/dbraw/zinc/04/68/90/509046890.db2.gz IJIYVHHATQJWJU-INIZCTEOSA-N 1 1 373.526 2.603 10 0 FFAEMO CCOCC[N@H+]1CCN(Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C ZINC000120872276 509079919 /nfs/dbraw/zinc/07/99/19/509079919.db2.gz SDPARZRCEBUYLZ-AWEZNQCLSA-N 1 1 364.440 2.898 10 0 FFAEMO O[C@@H](CN[C@@H]1CCCOc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000151794577 509084582 /nfs/dbraw/zinc/08/45/82/509084582.db2.gz GWYGEMWDTCGOSF-PZJWPPBQSA-N 1 1 352.478 2.909 10 0 FFAEMO O[C@@H](CN[C@@H]1CCCOc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000151794577 509084583 /nfs/dbraw/zinc/08/45/83/509084583.db2.gz GWYGEMWDTCGOSF-PZJWPPBQSA-N 1 1 352.478 2.909 10 0 FFAEMO CCn1cnnc1C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000132988714 509100774 /nfs/dbraw/zinc/10/07/74/509100774.db2.gz LGAGINVFINFPNR-QGZVFWFLSA-N 1 1 373.888 2.936 10 0 FFAEMO CC[C@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[N@H+]1CCOC ZINC000121001540 509107369 /nfs/dbraw/zinc/10/73/69/509107369.db2.gz DOLKNHVRNGEOBS-FPOVZHCZSA-N 1 1 362.514 2.787 10 0 FFAEMO CC[C@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CCN1CCOC ZINC000121001540 509107372 /nfs/dbraw/zinc/10/73/72/509107372.db2.gz DOLKNHVRNGEOBS-FPOVZHCZSA-N 1 1 362.514 2.787 10 0 FFAEMO CC[C@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CCN1CCOC ZINC000121001540 509107373 /nfs/dbraw/zinc/10/73/73/509107373.db2.gz DOLKNHVRNGEOBS-FPOVZHCZSA-N 1 1 362.514 2.787 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CC[N@@H+]1C[C@@H](C)O ZINC000121073908 509122062 /nfs/dbraw/zinc/12/20/62/509122062.db2.gz RDBIMOQUYBKRRW-NVXWUHKLSA-N 1 1 373.522 2.651 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CC[N@H+]1C[C@@H](C)O ZINC000121073908 509122068 /nfs/dbraw/zinc/12/20/68/509122068.db2.gz RDBIMOQUYBKRRW-NVXWUHKLSA-N 1 1 373.522 2.651 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000126871709 509141062 /nfs/dbraw/zinc/14/10/62/509141062.db2.gz SAKXVSKFRXSSRG-MRXNPFEDSA-N 1 1 366.452 2.956 10 0 FFAEMO CNC(=O)CN1CCC(CN(C)c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000126962908 509153034 /nfs/dbraw/zinc/15/30/34/509153034.db2.gz GBDZNLHLNWAMSI-UHFFFAOYSA-N 1 1 358.461 2.577 10 0 FFAEMO C[C@@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1c(F)cccc1F ZINC000121430939 509173580 /nfs/dbraw/zinc/17/35/80/509173580.db2.gz GCOYHHCSBQUCOL-CVEARBPZSA-N 1 1 365.468 2.697 10 0 FFAEMO Cc1nn(C)c(C)c1C[NH+]1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000121450749 509174570 /nfs/dbraw/zinc/17/45/70/509174570.db2.gz FZFOODRLBYLIMV-UHFFFAOYSA-N 1 1 352.482 2.631 10 0 FFAEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)n1 ZINC000247872561 509183578 /nfs/dbraw/zinc/18/35/78/509183578.db2.gz XWKLMRVHTDLYHY-YLJYHZDGSA-N 1 1 367.497 2.627 10 0 FFAEMO COC1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCCCC1 ZINC000185449454 509183776 /nfs/dbraw/zinc/18/37/76/509183776.db2.gz VVXVLAWWRBUQTP-HKUYNNGSSA-N 1 1 374.529 2.941 10 0 FFAEMO O=C(NC1CCC(O)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247891880 509187771 /nfs/dbraw/zinc/18/77/71/509187771.db2.gz FNWOEEGVVHAAFH-WCHWRFHJSA-N 1 1 371.525 2.986 10 0 FFAEMO COc1cc(OC)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000247917037 509191639 /nfs/dbraw/zinc/19/16/39/509191639.db2.gz BETTUUKOIDWDSY-OXJNMPFZSA-N 1 1 370.449 2.888 10 0 FFAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC[C@H]21 ZINC000247998886 509212555 /nfs/dbraw/zinc/21/25/55/509212555.db2.gz KEHWMYFPAHFVAT-MAUKXSAKSA-N 1 1 356.470 2.527 10 0 FFAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(CN4CCOC4=O)cc3)CC[C@H]21 ZINC000248004363 509214489 /nfs/dbraw/zinc/21/44/89/509214489.db2.gz KRHQSFPDYKVEPV-FUHWJXTLSA-N 1 1 372.469 2.587 10 0 FFAEMO Cc1cc(-n2c(C)cc(C(=O)CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2C)no1 ZINC000248013326 509217476 /nfs/dbraw/zinc/21/74/76/509217476.db2.gz LMLLCCGUTBJDTG-PKOBYXMFSA-N 1 1 370.497 2.989 10 0 FFAEMO C[N@H+]1CC[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)[C@H]1c1ccccc1 ZINC000248064253 509228226 /nfs/dbraw/zinc/22/82/26/509228226.db2.gz POUYXVOKCGLQJG-UYAOXDASSA-N 1 1 361.449 2.502 10 0 FFAEMO C[N@H+]1CC[C@@H](NC(=O)C2(NC(=O)OC(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000248071781 509230319 /nfs/dbraw/zinc/23/03/19/509230319.db2.gz QPUCMUZCCLOEFC-CVEARBPZSA-N 1 1 359.470 2.605 10 0 FFAEMO C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CSCCS2)[C@@H]1c1ccccc1 ZINC000248082562 509232128 /nfs/dbraw/zinc/23/21/28/509232128.db2.gz SBFRXSNWKWNNIR-JYJNAYRXSA-N 1 1 351.541 2.580 10 0 FFAEMO Cn1cc[nH+]c1CC1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 ZINC000162485111 509233904 /nfs/dbraw/zinc/23/39/04/509233904.db2.gz WHJMFWPEHRTGPQ-MRXNPFEDSA-N 1 1 351.516 2.504 10 0 FFAEMO C[N@@H+]1CC[C@H](NC(=O)c2cnc(-c3ncccn3)s2)[C@H]1c1ccccc1 ZINC000248123609 509239428 /nfs/dbraw/zinc/23/94/28/509239428.db2.gz UWSCZNIKKSBJDQ-GOEBONIOSA-N 1 1 365.462 2.775 10 0 FFAEMO C[N@H+]1CC[C@H](NC(=O)c2cnc(-c3ncccn3)s2)[C@H]1c1ccccc1 ZINC000248123609 509239437 /nfs/dbraw/zinc/23/94/37/509239437.db2.gz UWSCZNIKKSBJDQ-GOEBONIOSA-N 1 1 365.462 2.775 10 0 FFAEMO Cc1ccccc1CC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191903360 509239612 /nfs/dbraw/zinc/23/96/12/509239612.db2.gz YVQCXGBOJRDDAM-UHFFFAOYSA-N 1 1 360.498 2.802 10 0 FFAEMO Cc1ccccc1CC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191903360 509239617 /nfs/dbraw/zinc/23/96/17/509239617.db2.gz YVQCXGBOJRDDAM-UHFFFAOYSA-N 1 1 360.498 2.802 10 0 FFAEMO Cc1cc(Br)ccc1NC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172801831 509243397 /nfs/dbraw/zinc/24/33/97/509243397.db2.gz HGGLFINHCSARBF-OAHLLOKOSA-N 1 1 366.303 2.866 10 0 FFAEMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000179062615 509245346 /nfs/dbraw/zinc/24/53/46/509245346.db2.gz OJAFBLSEGGFXMX-AWEZNQCLSA-N 1 1 358.442 2.755 10 0 FFAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccnc3OCC(F)(F)F)CC[C@H]21 ZINC000248144433 509246004 /nfs/dbraw/zinc/24/60/04/509246004.db2.gz PYWYIAXYJZDXHH-GXTWGEPZSA-N 1 1 357.376 2.579 10 0 FFAEMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000248146130 509247178 /nfs/dbraw/zinc/24/71/78/509247178.db2.gz QFFYSYIKUVZWTJ-WMLDXEAASA-N 1 1 374.403 2.798 10 0 FFAEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N(Cc1ccco1)CC(F)(F)F ZINC000248146130 509247188 /nfs/dbraw/zinc/24/71/88/509247188.db2.gz QFFYSYIKUVZWTJ-WMLDXEAASA-N 1 1 374.403 2.798 10 0 FFAEMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)CC[C@H]21 ZINC000248198795 509259814 /nfs/dbraw/zinc/25/98/14/509259814.db2.gz XXEFLFBMBZUTPZ-RBUKOAKNSA-N 1 1 351.450 2.802 10 0 FFAEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@H]3CSc4ccccc43)C2)CC1 ZINC000176004693 509268826 /nfs/dbraw/zinc/26/88/26/509268826.db2.gz FIQSNZJCDRFVPF-WMZOPIPTSA-N 1 1 359.539 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508348190 /nfs/dbraw/zinc/34/81/90/508348190.db2.gz IREWAHADFHAWGH-UHFFFAOYSA-N 1 1 355.486 2.888 10 0 FFAEMO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105026787 508357289 /nfs/dbraw/zinc/35/72/89/508357289.db2.gz JOGHATWSXPZUJB-GOSISDBHSA-N 1 1 370.497 2.933 10 0 FFAEMO C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000105120024 508362221 /nfs/dbraw/zinc/36/22/21/508362221.db2.gz QAEWUKBPVCIMAS-GFCCVEGCSA-N 1 1 352.276 3.000 10 0 FFAEMO CCOc1ccc(CCNC(=O)N2CC[NH+](C3CC3)CC2)cc1OCC ZINC000105074957 508359864 /nfs/dbraw/zinc/35/98/64/508359864.db2.gz XDAQIAFJFBNKLB-UHFFFAOYSA-N 1 1 361.486 2.516 10 0 FFAEMO O=C(NCc1cc(Br)cs1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105152552 508362839 /nfs/dbraw/zinc/36/28/39/508362839.db2.gz XPQLWVRXCIBQGC-GFCCVEGCSA-N 1 1 358.305 2.890 10 0 FFAEMO O=C(NCc1cccc(OCC(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105227619 508366645 /nfs/dbraw/zinc/36/66/45/508366645.db2.gz JUDXVMBRCCYCEB-HNNXBMFYSA-N 1 1 353.413 2.710 10 0 FFAEMO 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Cc1cccc(N2CCC(NC(=O)NC[C@]3(C)CCCC[C@H]3O)CC2)[nH+]1 ZINC000178703821 510730071 /nfs/dbraw/zinc/73/00/71/510730071.db2.gz NTQJPPMRGGTFTC-XLIONFOSSA-N 1 1 360.502 2.599 10 0 FFAEMO C[C@H]1CN(C(=O)NCCc2csc3ccccc23)C[C@@H]1[NH+]1CCOCC1 ZINC000175692708 510737104 /nfs/dbraw/zinc/73/71/04/510737104.db2.gz HEXIUGYLMVMEJZ-YJBOKZPZSA-N 1 1 373.522 2.806 10 0 FFAEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)nc(N3CCCC3)c2)C1 ZINC000246909394 510739809 /nfs/dbraw/zinc/73/98/09/510739809.db2.gz VVOCNDWQNFWFCE-HOCLYGCPSA-N 1 1 362.905 2.892 10 0 FFAEMO COc1ccccc1C1(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CCC1 ZINC000185203586 510744372 /nfs/dbraw/zinc/74/43/72/510744372.db2.gz CHKVFPACCLEYCF-DLBZAZTESA-N 1 1 357.498 2.995 10 0 FFAEMO Cc1sc(=O)n(CCC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1C ZINC000182100122 510757018 /nfs/dbraw/zinc/75/70/18/510757018.db2.gz WRPHUZWNPJLYHU-AWEZNQCLSA-N 1 1 361.511 2.553 10 0 FFAEMO Cc1cccc(NC(=O)CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195280706 510758914 /nfs/dbraw/zinc/75/89/14/510758914.db2.gz HZYRRFGWMBCFCC-LJQANCHMSA-N 1 1 352.482 2.782 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2nc(C)oc2-c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000185239158 510766084 /nfs/dbraw/zinc/76/60/84/510766084.db2.gz MXQBIIDBKCLORN-RHSMWYFYSA-N 1 1 357.454 2.567 10 0 FFAEMO COCC[N@@H+]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000246955751 510766703 /nfs/dbraw/zinc/76/67/03/510766703.db2.gz BLXONDCZOVTNPF-CHWSQXEVSA-N 1 1 374.312 2.973 10 0 FFAEMO COCC[N@H+]1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C ZINC000246955751 510766709 /nfs/dbraw/zinc/76/67/09/510766709.db2.gz BLXONDCZOVTNPF-CHWSQXEVSA-N 1 1 374.312 2.973 10 0 FFAEMO Cc1noc(CSc2ccccc2C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000246956561 510767418 /nfs/dbraw/zinc/76/74/18/510767418.db2.gz DGNBPGBVIFSPPW-HIFRSBDPSA-N 1 1 372.494 2.979 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000175744826 510767701 /nfs/dbraw/zinc/76/77/01/510767701.db2.gz WNBFZVNIIJTNPF-RDJZCZTQSA-N 1 1 371.485 2.847 10 0 FFAEMO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246981196 510781211 /nfs/dbraw/zinc/78/12/11/510781211.db2.gz UKSVNCBILPGERB-QWHCGFSZSA-N 1 1 356.919 2.979 10 0 FFAEMO Cc1ccc(-n2nc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)c3c2CCC3)cc1 ZINC000195329722 510786322 /nfs/dbraw/zinc/78/63/22/510786322.db2.gz DYJAVDOSOUNRHP-KRWDZBQOSA-N 1 1 350.466 2.590 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1OC1CCCC1 ZINC000246991980 510786213 /nfs/dbraw/zinc/78/62/13/510786213.db2.gz FGSUZVZTQXXJRG-RDJZCZTQSA-N 1 1 358.486 2.781 10 0 FFAEMO COC(=O)c1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000182183543 510800760 /nfs/dbraw/zinc/80/07/60/510800760.db2.gz ZZYGIKLPYHVGEH-QGZVFWFLSA-N 1 1 369.465 2.989 10 0 FFAEMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247022091 510803973 /nfs/dbraw/zinc/80/39/73/510803973.db2.gz GDMSONPPMATOAB-FMKPAKJESA-N 1 1 351.441 2.653 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000247055511 510819304 /nfs/dbraw/zinc/81/93/04/510819304.db2.gz WTIVIFBDRLVWDA-MSOLQXFVSA-N 1 1 369.513 2.672 10 0 FFAEMO Cc1ccc(CCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000185369153 510824883 /nfs/dbraw/zinc/82/48/83/510824883.db2.gz XYNQWJNJNPIESR-HNNXBMFYSA-N 1 1 351.288 2.997 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc(C(C)C)c1Br ZINC000247076965 510827618 /nfs/dbraw/zinc/82/76/18/510827618.db2.gz YZICUMMCEYLNTF-NEPJUHHUSA-N 1 1 369.307 2.994 10 0 FFAEMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441613 510826464 /nfs/dbraw/zinc/82/64/64/510826464.db2.gz BETAUAOLGZLPSE-AWEZNQCLSA-N 1 1 373.478 2.772 10 0 FFAEMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195441613 510826467 /nfs/dbraw/zinc/82/64/67/510826467.db2.gz BETAUAOLGZLPSE-AWEZNQCLSA-N 1 1 373.478 2.772 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(Cc3ncc(Cl)cc3Cl)CC2)cn1 ZINC000182237916 510828838 /nfs/dbraw/zinc/82/88/38/510828838.db2.gz SDFLSKWFRLTZGG-UHFFFAOYSA-N 1 1 354.285 2.830 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(Cc3ncc(Cl)cc3Cl)CC2)cn1 ZINC000182237916 510828841 /nfs/dbraw/zinc/82/88/41/510828841.db2.gz SDFLSKWFRLTZGG-UHFFFAOYSA-N 1 1 354.285 2.830 10 0 FFAEMO COCCOc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000185408477 510838138 /nfs/dbraw/zinc/83/81/38/510838138.db2.gz FPKRAUZRJSNSOA-CQSZACIVSA-N 1 1 352.862 2.676 10 0 FFAEMO COCCOc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1 ZINC000185408477 510838142 /nfs/dbraw/zinc/83/81/42/510838142.db2.gz FPKRAUZRJSNSOA-CQSZACIVSA-N 1 1 352.862 2.676 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2ccc(CCSC)cc2)CC[N@H+]1C[C@H](C)O ZINC000247149199 510844885 /nfs/dbraw/zinc/84/48/85/510844885.db2.gz UCZOBWAUZVFJLL-YJBOKZPZSA-N 1 1 365.543 2.901 10 0 FFAEMO CC[C@@H]1CN(C(=O)Nc2cccc(OC(F)F)c2)CC[N@H+]1C[C@H](C)O ZINC000247164661 510848217 /nfs/dbraw/zinc/84/82/17/510848217.db2.gz VANOZPJLDGLYQK-GXTWGEPZSA-N 1 1 357.401 2.597 10 0 FFAEMO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247185246 510849471 /nfs/dbraw/zinc/84/94/71/510849471.db2.gz LCBUWJPCVFFEGW-AUUYWEPGSA-N 1 1 370.472 2.866 10 0 FFAEMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247262096 510854727 /nfs/dbraw/zinc/85/47/27/510854727.db2.gz RRQZEXHPFLELGM-GDBMZVCRSA-N 1 1 353.413 2.914 10 0 FFAEMO CCCCNC(=O)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247302224 510856112 /nfs/dbraw/zinc/85/61/12/510856112.db2.gz LLAOXQWDPZPNCV-VQIMIIECSA-N 1 1 374.529 2.744 10 0 FFAEMO CCCCNC(=O)c1ccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247302214 510856181 /nfs/dbraw/zinc/85/61/81/510856181.db2.gz LLAOXQWDPZPNCV-APWZRJJASA-N 1 1 374.529 2.744 10 0 FFAEMO COCCc1ccc(OCCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247356768 510858380 /nfs/dbraw/zinc/85/83/80/510858380.db2.gz OHRFVIYVHXDVQZ-YLJYHZDGSA-N 1 1 362.514 2.879 10 0 FFAEMO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)S(=O)(=O)C1CCCCC1 ZINC000247370297 510858804 /nfs/dbraw/zinc/85/88/04/510858804.db2.gz PDRXXKOXISOAPF-KBAYOESNSA-N 1 1 372.575 2.603 10 0 FFAEMO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)S(=O)(=O)C1CCCCC1 ZINC000247370297 510858805 /nfs/dbraw/zinc/85/88/05/510858805.db2.gz PDRXXKOXISOAPF-KBAYOESNSA-N 1 1 372.575 2.603 10 0 FFAEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000247444128 510860847 /nfs/dbraw/zinc/86/08/47/510860847.db2.gz XRURPAMZDXBURA-KSZLIROESA-N 1 1 354.498 2.941 10 0 FFAEMO Cc1ccc(-n2cnnc2SCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000247464343 510861640 /nfs/dbraw/zinc/86/16/40/510861640.db2.gz URTZOGHZCYSVIT-NVXWUHKLSA-N 1 1 373.526 2.513 10 0 FFAEMO Cc1ccc(C)n1-c1nc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cs1 ZINC000247476293 510862227 /nfs/dbraw/zinc/86/22/27/510862227.db2.gz SDUUJTVKTKYIGP-WBVHZDCISA-N 1 1 358.511 2.788 10 0 FFAEMO COc1cc(Br)ccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247487953 510862717 /nfs/dbraw/zinc/86/27/17/510862717.db2.gz TZJGRNJOQHHKOX-YPMHNXCESA-N 1 1 353.260 2.766 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc(F)cc(Br)c1 ZINC000247494423 510863195 /nfs/dbraw/zinc/86/31/95/510863195.db2.gz UNAHTMGEKCRYKD-ABAIWWIYSA-N 1 1 370.266 2.966 10 0 FFAEMO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247503781 510863468 /nfs/dbraw/zinc/86/34/68/510863468.db2.gz VHDKDYKVDFRVJH-BEFAXECRSA-N 1 1 367.497 2.867 10 0 FFAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247533879 510864591 /nfs/dbraw/zinc/86/45/91/510864591.db2.gz XTYYFYAMOJDYED-RDJZCZTQSA-N 1 1 365.518 2.719 10 0 FFAEMO O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247547971 510865169 /nfs/dbraw/zinc/86/51/69/510865169.db2.gz DQONZAUXJZUXOS-ZIAGYGMSSA-N 1 1 371.268 2.662 10 0 FFAEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C1 ZINC000247561189 510865715 /nfs/dbraw/zinc/86/57/15/510865715.db2.gz QVFLKYAJIKRWJZ-HKUYNNGSSA-N 1 1 367.497 2.981 10 0 FFAEMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(F)c1 ZINC000247566269 510865929 /nfs/dbraw/zinc/86/59/29/510865929.db2.gz GPPNPVGDDADQJL-CVEARBPZSA-N 1 1 371.460 2.852 10 0 FFAEMO CC[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CC[N@H+]1CCOC ZINC000247567211 510865941 /nfs/dbraw/zinc/86/59/41/510865941.db2.gz GSCRRUDENDBCTA-CTNGQTDRSA-N 1 1 373.541 2.613 10 0 FFAEMO CC[C@@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCN1CCOC ZINC000247567211 510865942 /nfs/dbraw/zinc/86/59/42/510865942.db2.gz GSCRRUDENDBCTA-CTNGQTDRSA-N 1 1 373.541 2.613 10 0 FFAEMO CC[C@@H]1C[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCN1CCOC ZINC000247567211 510865943 /nfs/dbraw/zinc/86/59/43/510865943.db2.gz GSCRRUDENDBCTA-CTNGQTDRSA-N 1 1 373.541 2.613 10 0 FFAEMO CC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000247573431 510866178 /nfs/dbraw/zinc/86/61/78/510866178.db2.gz HLALYRMFLKAFIQ-JSGCOSHPSA-N 1 1 374.312 2.709 10 0 FFAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccccc1F ZINC000247577430 510866431 /nfs/dbraw/zinc/86/64/31/510866431.db2.gz XUMNKAGWOAUIQD-HNAYVOBHSA-N 1 1 356.445 2.931 10 0 FFAEMO 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JTKBVLMRGHRYEL-QEEYODRMSA-N 1 1 369.469 2.838 10 0 FFAEMO Cc1csc(N2CCC(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3C)CC2)n1 ZINC000330202812 258158549 /nfs/dbraw/zinc/15/85/49/258158549.db2.gz ZUOUKLNOHHJQKF-QGZVFWFLSA-N 1 1 373.526 2.864 10 0 FFAEMO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000328933317 258124510 /nfs/dbraw/zinc/12/45/10/258124510.db2.gz DVQNLRGCRHLUTL-JUUKFZBDSA-N 1 1 363.408 2.584 10 0 FFAEMO Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000329025445 258126813 /nfs/dbraw/zinc/12/68/13/258126813.db2.gz NQTHGJBTDYVPIF-OLMNPRSZSA-N 1 1 354.454 2.810 10 0 FFAEMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000329091487 258129034 /nfs/dbraw/zinc/12/90/34/258129034.db2.gz WZWKMXYLXPZLAS-HXUWFJFHSA-N 1 1 363.461 2.743 10 0 FFAEMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc4c3OCC(=O)N4)CC2)c1 ZINC000329188415 258131965 /nfs/dbraw/zinc/13/19/65/258131965.db2.gz QKGQBUXMYWQOPX-UHFFFAOYSA-N 1 1 365.433 2.933 10 0 FFAEMO 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1 1 365.905 2.936 10 0 FFAEMO CC(C)Nc1ncccc1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190632882 510251935 /nfs/dbraw/zinc/25/19/35/510251935.db2.gz DQSQWMFPRGAWGD-GOSISDBHSA-N 1 1 367.497 2.891 10 0 FFAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000246043710 510261721 /nfs/dbraw/zinc/26/17/21/510261721.db2.gz SISKYWMCPOAXKG-OWCLPIDISA-N 1 1 352.425 2.541 10 0 FFAEMO CC(C)n1ncc2ccc(NC(=O)N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)cc21 ZINC000177811641 510265102 /nfs/dbraw/zinc/26/51/02/510265102.db2.gz CIRNFADRHJFBBG-DNVCBOLYSA-N 1 1 371.485 2.802 10 0 FFAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646560 510276075 /nfs/dbraw/zinc/27/60/75/510276075.db2.gz HBAYTPLKPVUGLE-HUUCEWRRSA-N 1 1 368.437 2.571 10 0 FFAEMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171646560 510276082 /nfs/dbraw/zinc/27/60/82/510276082.db2.gz HBAYTPLKPVUGLE-HUUCEWRRSA-N 1 1 368.437 2.571 10 0 FFAEMO CC(C)Oc1ccc(F)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177827231 510276071 /nfs/dbraw/zinc/27/60/71/510276071.db2.gz UDYGMLWHEWCEHH-RHSMWYFYSA-N 1 1 365.449 2.797 10 0 FFAEMO Cc1nn(C)c(C)c1OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246074819 510278844 /nfs/dbraw/zinc/27/88/44/510278844.db2.gz FGMKAPRJRRGPEW-KXBFYZLASA-N 1 1 370.497 2.585 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3F)C2)n1 ZINC000171651705 510282467 /nfs/dbraw/zinc/28/24/67/510282467.db2.gz XNOZAMDOYOXXSX-QGZVFWFLSA-N 1 1 370.472 2.922 10 0 FFAEMO Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3F)C2)n1 ZINC000171651705 510282468 /nfs/dbraw/zinc/28/24/68/510282468.db2.gz XNOZAMDOYOXXSX-QGZVFWFLSA-N 1 1 370.472 2.922 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000181129213 510283753 /nfs/dbraw/zinc/28/37/53/510283753.db2.gz GSQPTOHGJGEOST-MSOLQXFVSA-N 1 1 374.529 2.904 10 0 FFAEMO CCC(CC)c1nnc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)s1 ZINC000181143319 510285713 /nfs/dbraw/zinc/28/57/13/510285713.db2.gz JXJCVUVVBMMVGU-TZMCWYRMSA-N 1 1 369.535 2.751 10 0 FFAEMO C[C@H]1CN(C(=O)Nc2ccc(OCC3CC3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000177854255 510291202 /nfs/dbraw/zinc/29/12/02/510291202.db2.gz BPROOVLUDQINQB-HNAYVOBHSA-N 1 1 359.470 2.660 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC[N@H+]1C[C@@H](C)O ZINC000181235049 510314947 /nfs/dbraw/zinc/31/49/47/510314947.db2.gz LZAWUMLLQKIOOC-QAPCUYQASA-N 1 1 372.469 2.959 10 0 FFAEMO CC[C@@H]1CN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC[N@H+]1C[C@@H](C)O ZINC000181235025 510315023 /nfs/dbraw/zinc/31/50/23/510315023.db2.gz LZAWUMLLQKIOOC-CRAIPNDOSA-N 1 1 372.469 2.959 10 0 FFAEMO CC[C@H]1CN(C(=O)N[C@H](C)c2c(F)cccc2OC)CC[N@H+]1CCOC ZINC000246140398 510317696 /nfs/dbraw/zinc/31/76/96/510317696.db2.gz JNGLNEXZGQFZEH-CABCVRRESA-N 1 1 367.465 2.648 10 0 FFAEMO COCCc1ccc(OCCCC(=O)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000171710832 510324894 /nfs/dbraw/zinc/32/48/94/510324894.db2.gz UWCZMQOULQOZBJ-UHFFFAOYSA-N 1 1 360.498 2.731 10 0 FFAEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2CO)[C@H]1c1cccs1 ZINC000246165904 510332074 /nfs/dbraw/zinc/33/20/74/510332074.db2.gz IOKVFEJNFADVOF-KONPQCLYSA-N 1 1 365.543 2.981 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)no1 ZINC000246168254 510334408 /nfs/dbraw/zinc/33/44/08/510334408.db2.gz BZRSDFWMOQYAKF-AUUYWEPGSA-N 1 1 372.444 2.792 10 0 FFAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)C2)no1 ZINC000246168254 510334413 /nfs/dbraw/zinc/33/44/13/510334413.db2.gz BZRSDFWMOQYAKF-AUUYWEPGSA-N 1 1 372.444 2.792 10 0 FFAEMO Cc1ccc(N2CCC(NC(=O)N3CCC([C@@H]4CCCO4)CC3)CC2)[nH+]c1 ZINC000187569772 510334670 /nfs/dbraw/zinc/33/46/70/510334670.db2.gz KWOPBNPBRCPFCU-IBGZPJMESA-N 1 1 372.513 2.959 10 0 FFAEMO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000184481676 510346724 /nfs/dbraw/zinc/34/67/24/510346724.db2.gz PJRODPYSMUTAGL-HMXCVIKNSA-N 1 1 373.541 2.657 10 0 FFAEMO CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246191972 510351100 /nfs/dbraw/zinc/35/11/00/510351100.db2.gz WMPVPRPOWSZXEG-ZWKOTPCHSA-N 1 1 371.481 2.654 10 0 FFAEMO C[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[C@H]1C ZINC000246191850 510352196 /nfs/dbraw/zinc/35/21/96/510352196.db2.gz LGWOALNTPASXSM-HCXYKTFWSA-N 1 1 350.551 2.623 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)NCCOc2ncc(Cl)cc2Cl)C1 ZINC000177969522 510352633 /nfs/dbraw/zinc/35/26/33/510352633.db2.gz WRYOSLFPEDCENZ-LBPRGKRZSA-N 1 1 361.273 2.551 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000177973790 510353719 /nfs/dbraw/zinc/35/37/19/510353719.db2.gz ADFGJNHCOPKTJN-ZDUSSCGKSA-N 1 1 364.808 2.614 10 0 FFAEMO CCOCCN1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000246198556 510355174 /nfs/dbraw/zinc/35/51/74/510355174.db2.gz OZGPNNNRIINWEG-WBVHZDCISA-N 1 1 374.447 2.651 10 0 FFAEMO CCOCC[N@@H+]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000246198556 510355181 /nfs/dbraw/zinc/35/51/81/510355181.db2.gz OZGPNNNRIINWEG-WBVHZDCISA-N 1 1 374.447 2.651 10 0 FFAEMO CCOCC[N@H+]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000246198556 510355186 /nfs/dbraw/zinc/35/51/86/510355186.db2.gz OZGPNNNRIINWEG-WBVHZDCISA-N 1 1 374.447 2.651 10 0 FFAEMO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246209053 510365367 /nfs/dbraw/zinc/36/53/67/510365367.db2.gz AGOLTWHLAWNSTC-HZPDHXFCSA-N 1 1 354.376 2.537 10 0 FFAEMO Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4[C@H](CCC(=O)N4C4CC4)C3)C2=O)cc1 ZINC000246225382 510376411 /nfs/dbraw/zinc/37/64/11/510376411.db2.gz DYQIIOVLPONVPT-UXPWSPDFSA-N 1 1 367.493 2.576 10 0 FFAEMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000246240984 510383609 /nfs/dbraw/zinc/38/36/09/510383609.db2.gz UVUXOCQLNHPNBQ-PKOBYXMFSA-N 1 1 370.522 2.519 10 0 FFAEMO COc1ccc2sc(C(=O)N3CC[NH2+]C[C@@H]3c3cnn(C)c3)c(C)c2c1 ZINC000181385064 510384786 /nfs/dbraw/zinc/38/47/86/510384786.db2.gz IYMKZEQIQAGPID-MRXNPFEDSA-N 1 1 370.478 2.739 10 0 FFAEMO Cc1cnn(CCNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c1 ZINC000184561772 510389420 /nfs/dbraw/zinc/38/94/20/510389420.db2.gz RUDOVMCAPVQHEG-IBGZPJMESA-N 1 1 357.502 2.647 10 0 FFAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 ZINC000171820494 510389562 /nfs/dbraw/zinc/38/95/62/510389562.db2.gz NKYZLJVETYKZSV-HUUCEWRRSA-N 1 1 372.435 2.883 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cn1 ZINC000181403467 510392377 /nfs/dbraw/zinc/39/23/77/510392377.db2.gz MCGXDQSVJOZBBP-IEXSPKMKSA-N 1 1 364.371 2.625 10 0 FFAEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)C1 ZINC000181415005 510397878 /nfs/dbraw/zinc/39/78/78/510397878.db2.gz TUWOCUDPPQYQDD-ZDUSSCGKSA-N 1 1 373.423 2.733 10 0 FFAEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3csc(-c4ccccn4)n3)CC2)CCO1 ZINC000194515478 510404996 /nfs/dbraw/zinc/40/49/96/510404996.db2.gz HMCFRCMMMXCJHK-CQSZACIVSA-N 1 1 372.494 2.530 10 0 FFAEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000246291241 510409743 /nfs/dbraw/zinc/40/97/43/510409743.db2.gz OVAIZETYHXBTLE-NUEKZKHPSA-N 1 1 359.426 2.556 10 0 FFAEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000246291241 510409749 /nfs/dbraw/zinc/40/97/49/510409749.db2.gz OVAIZETYHXBTLE-NUEKZKHPSA-N 1 1 359.426 2.556 10 0 FFAEMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCn2ccc3cc(Cl)ccc32)cn1 ZINC000181453844 510417770 /nfs/dbraw/zinc/41/77/70/510417770.db2.gz KXKOJNKPLPZBIO-GOSISDBHSA-N 1 1 371.872 2.591 10 0 FFAEMO C[C@@]1(CNC(=O)[C@@H]2CCCn3ccnc32)CCC[N@H+]1Cc1ccccc1 ZINC000187758351 510421061 /nfs/dbraw/zinc/42/10/61/510421061.db2.gz CZQJPRSISTVMNF-NQIIRXRSSA-N 1 1 352.482 2.931 10 0 FFAEMO COc1cc(OC)cc(N2CC[C@H](Nc3ccc4c(c3)C[N@H+](C)C4)C2=O)c1 ZINC000175000473 510428827 /nfs/dbraw/zinc/42/88/27/510428827.db2.gz HXNCSZGRFWCFPF-FQEVSTJZSA-N 1 1 367.449 2.867 10 0 FFAEMO CC1CCN(C(=O)c2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000171891206 510431171 /nfs/dbraw/zinc/43/11/71/510431171.db2.gz ZPROBOWTQUKCAW-IBGZPJMESA-N 1 1 370.497 2.871 10 0 FFAEMO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000181480810 510432434 /nfs/dbraw/zinc/43/24/34/510432434.db2.gz CTWVDKOHNSXXKE-DLBZAZTESA-N 1 1 360.502 2.514 10 0 FFAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000175007159 510434275 /nfs/dbraw/zinc/43/42/75/510434275.db2.gz MYCYQNWHDTYWPS-UONOGXRCSA-N 1 1 360.483 2.816 10 0 FFAEMO Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246337699 510436413 /nfs/dbraw/zinc/43/64/13/510436413.db2.gz CCRLEGYATXMFRE-IAGOWNOFSA-N 1 1 370.497 2.931 10 0 FFAEMO O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171899723 510438020 /nfs/dbraw/zinc/43/80/20/510438020.db2.gz HKHXPNOURFZCEQ-INIZCTEOSA-N 1 1 371.403 2.755 10 0 FFAEMO CC(C)[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000171899004 510438463 /nfs/dbraw/zinc/43/84/63/510438463.db2.gz YHQTWFNPYBWYDM-APWZRJJASA-N 1 1 359.470 2.645 10 0 FFAEMO CC(C)(C)n1cc(CNCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)nn1 ZINC000190973058 510443828 /nfs/dbraw/zinc/44/38/28/510443828.db2.gz WKUAJHCVYAXSMP-FQEVSTJZSA-N 1 1 371.529 2.568 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000175028760 510447128 /nfs/dbraw/zinc/44/71/28/510447128.db2.gz QBJRRVCFXGUGLJ-BRSBDYLESA-N 1 1 356.466 2.647 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000175042790 510455076 /nfs/dbraw/zinc/45/50/76/510455076.db2.gz ISZUQMLWOAGOBX-IAGOWNOFSA-N 1 1 354.454 2.754 10 0 FFAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1Br ZINC000175045015 510457287 /nfs/dbraw/zinc/45/72/87/510457287.db2.gz YNBPEEPWMKIUGQ-ZIAGYGMSSA-N 1 1 366.303 2.946 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCCCn2ccc3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000184682341 510459925 /nfs/dbraw/zinc/45/99/25/510459925.db2.gz JXNFCXWBFBIIST-IEBWSBKVSA-N 1 1 372.513 2.518 10 0 FFAEMO COC[C@@H](NC(=O)N1CCC[N@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000194642907 510461938 /nfs/dbraw/zinc/46/19/38/510461938.db2.gz FAQKGOUXNQEWLH-QGZVFWFLSA-N 1 1 351.878 2.907 10 0 FFAEMO Cc1cccnc1C(F)(F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000194645182 510462439 /nfs/dbraw/zinc/46/24/39/510462439.db2.gz AVTXVQTVDVCVHQ-DOTOQJQBSA-N 1 1 374.435 2.904 10 0 FFAEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000191018640 510468051 /nfs/dbraw/zinc/46/80/51/510468051.db2.gz FZQQFHIFHGLDBZ-MRXNPFEDSA-N 1 1 350.503 2.997 10 0 FFAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000191018640 510468058 /nfs/dbraw/zinc/46/80/58/510468058.db2.gz FZQQFHIFHGLDBZ-MRXNPFEDSA-N 1 1 350.503 2.997 10 0 FFAEMO COc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)nn1C ZINC000246407255 510470839 /nfs/dbraw/zinc/47/08/39/510470839.db2.gz AXAHVRTZCCZARU-WMLDXEAASA-N 1 1 356.470 2.520 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCc2ccc(Cl)cc2F)CC[N@H+]1CCOC ZINC000187877894 510482748 /nfs/dbraw/zinc/48/27/48/510482748.db2.gz GKPJGSCKSZBUTM-OAHLLOKOSA-N 1 1 357.857 2.731 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)no1 ZINC000171991734 510488581 /nfs/dbraw/zinc/48/85/81/510488581.db2.gz NIVSGFYKYFQARV-JSGCOSHPSA-N 1 1 354.414 2.839 10 0 FFAEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)no1 ZINC000171991734 510488585 /nfs/dbraw/zinc/48/85/85/510488585.db2.gz NIVSGFYKYFQARV-JSGCOSHPSA-N 1 1 354.414 2.839 10 0 FFAEMO C[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1N1CCOCC1 ZINC000246468726 510506023 /nfs/dbraw/zinc/50/60/23/510506023.db2.gz NYHVTOXZIGIOFQ-FZKQIMNGSA-N 1 1 363.408 2.772 10 0 FFAEMO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1N1CCOCC1 ZINC000246468726 510506031 /nfs/dbraw/zinc/50/60/31/510506031.db2.gz NYHVTOXZIGIOFQ-FZKQIMNGSA-N 1 1 363.408 2.772 10 0 FFAEMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)C[C@H](C)O1 ZINC000178246646 510508630 /nfs/dbraw/zinc/50/86/30/510508630.db2.gz RZBZLTMXDMQZTI-IYBDPMFKSA-N 1 1 374.529 2.640 10 0 FFAEMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000184769196 510509220 /nfs/dbraw/zinc/50/92/20/510509220.db2.gz LZGTTXQHIMMHBJ-WMLDXEAASA-N 1 1 366.469 2.807 10 0 FFAEMO C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000175179837 510518953 /nfs/dbraw/zinc/51/89/53/510518953.db2.gz JQYMEQNXXNAFRG-HNNXBMFYSA-N 1 1 364.401 2.522 10 0 FFAEMO O[C@H](COc1ccccc1C(F)(F)F)CN1CCC[N@H+](C2CC2)CC1 ZINC000181643869 510519032 /nfs/dbraw/zinc/51/90/32/510519032.db2.gz YWEADJQCAAPXNI-HNNXBMFYSA-N 1 1 358.404 2.615 10 0 FFAEMO O[C@H](COc1ccccc1C(F)(F)F)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000181643869 510519033 /nfs/dbraw/zinc/51/90/33/510519033.db2.gz YWEADJQCAAPXNI-HNNXBMFYSA-N 1 1 358.404 2.615 10 0 FFAEMO O[C@H](COc1ccccc1C(F)(F)F)C[N@H+]1CCCN(C2CC2)CC1 ZINC000181643869 510519036 /nfs/dbraw/zinc/51/90/36/510519036.db2.gz YWEADJQCAAPXNI-HNNXBMFYSA-N 1 1 358.404 2.615 10 0 FFAEMO CC(C)n1nnnc1C[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000181662496 510527476 /nfs/dbraw/zinc/52/74/76/510527476.db2.gz AFXNUIFJEFXGLU-UHFFFAOYSA-N 1 1 358.368 2.615 10 0 FFAEMO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246515826 510530622 /nfs/dbraw/zinc/53/06/22/510530622.db2.gz TZPMELHQSMFJOQ-KDOFPFPSSA-N 1 1 358.486 2.737 10 0 FFAEMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000246513293 510530975 /nfs/dbraw/zinc/53/09/75/510530975.db2.gz UEIHRHCWVBVCED-YJBOKZPZSA-N 1 1 373.476 2.883 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000184822023 510532115 /nfs/dbraw/zinc/53/21/15/510532115.db2.gz MRZPGQQDNKONHQ-FUHWJXTLSA-N 1 1 363.502 2.633 10 0 FFAEMO Cc1ncsc1CN(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000172077542 510532308 /nfs/dbraw/zinc/53/23/08/510532308.db2.gz IRGFVXMGCGNKGA-UHFFFAOYSA-N 1 1 359.499 2.965 10 0 FFAEMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246525691 510536892 /nfs/dbraw/zinc/53/68/92/510536892.db2.gz CBGVFQHIVPGIPF-ROUUACIJSA-N 1 1 367.493 2.821 10 0 FFAEMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246525691 510536895 /nfs/dbraw/zinc/53/68/95/510536895.db2.gz CBGVFQHIVPGIPF-ROUUACIJSA-N 1 1 367.493 2.821 10 0 FFAEMO C[C@@H](Oc1ccccc1Br)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246544390 510546053 /nfs/dbraw/zinc/54/60/53/510546053.db2.gz ILBMVLRTMYSGTI-OLZOCXBDSA-N 1 1 353.260 2.523 10 0 FFAEMO CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C[C@@H]1CC ZINC000172115078 510549828 /nfs/dbraw/zinc/54/98/28/510549828.db2.gz VUICJVNQVJIDAT-FUHWJXTLSA-N 1 1 361.486 2.653 10 0 FFAEMO CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 ZINC000184860794 510550211 /nfs/dbraw/zinc/55/02/11/510550211.db2.gz NFBKASOYRSZXGS-NVXWUHKLSA-N 1 1 363.502 2.700 10 0 FFAEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000178330468 510551243 /nfs/dbraw/zinc/55/12/43/510551243.db2.gz UOOGQIOWVDNUIE-WMLDXEAASA-N 1 1 358.511 2.691 10 0 FFAEMO C[C@@H](NC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccs1 ZINC000172115795 510552194 /nfs/dbraw/zinc/55/21/94/510552194.db2.gz QPSNZEAYHLJYLG-WBVHZDCISA-N 1 1 359.495 2.870 10 0 FFAEMO Cc1cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000246566739 510560262 /nfs/dbraw/zinc/56/02/62/510560262.db2.gz FIODRCTXIVAJAZ-CVEARBPZSA-N 1 1 374.916 2.992 10 0 FFAEMO Cc1ccccc1C[C@H](C)NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000172139202 510562179 /nfs/dbraw/zinc/56/21/79/510562179.db2.gz TYHVRMNKFWLYCO-SFHVURJKSA-N 1 1 369.513 2.577 10 0 FFAEMO Cc1ccccc1C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000172139202 510562186 /nfs/dbraw/zinc/56/21/86/510562186.db2.gz TYHVRMNKFWLYCO-SFHVURJKSA-N 1 1 369.513 2.577 10 0 FFAEMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1C1CCCCC1 ZINC000246573820 510562500 /nfs/dbraw/zinc/56/25/00/510562500.db2.gz YTDAFPXRRAHJJU-ACRUOGEOSA-N 1 1 356.510 2.738 10 0 FFAEMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000246579453 510567713 /nfs/dbraw/zinc/56/77/13/510567713.db2.gz SCKXUEWRALSCNM-UYAOXDASSA-N 1 1 371.481 2.816 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2ccc(OC(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000175306174 510580474 /nfs/dbraw/zinc/58/04/74/510580474.db2.gz XPUUKLDASLVCPT-OCCSQVGLSA-N 1 1 357.401 2.597 10 0 FFAEMO CC[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)CC[N@H+]1C[C@@H](C)O ZINC000175306747 510580710 /nfs/dbraw/zinc/58/07/10/510580710.db2.gz ZNGAJRQAIZVVRT-OLZOCXBDSA-N 1 1 357.401 2.597 10 0 FFAEMO C[C@@H](C[C@H](O)c1cccs1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246611486 510581275 /nfs/dbraw/zinc/58/12/75/510581275.db2.gz PPVDWFZAECYDFM-IXIBIKRGSA-N 1 1 351.516 2.875 10 0 FFAEMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000194902034 510582676 /nfs/dbraw/zinc/58/26/76/510582676.db2.gz MEZIRKZMTXLYOA-RDJZCZTQSA-N 1 1 355.486 2.751 10 0 FFAEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000246619052 510585575 /nfs/dbraw/zinc/58/55/75/510585575.db2.gz JVTPTPQCGJJGIW-IFXJQAMLSA-N 1 1 368.437 2.520 10 0 FFAEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000246619052 510585577 /nfs/dbraw/zinc/58/55/77/510585577.db2.gz JVTPTPQCGJJGIW-IFXJQAMLSA-N 1 1 368.437 2.520 10 0 FFAEMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000175324353 510590701 /nfs/dbraw/zinc/59/07/01/510590701.db2.gz MJVVYRGRSYUABL-ZDUSSCGKSA-N 1 1 361.364 2.506 10 0 FFAEMO CC[C@@H]1CN(C(=O)NCC(C)(C)c2cccc(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000181787167 510591635 /nfs/dbraw/zinc/59/16/35/510591635.db2.gz HHSITGOZPBHHHW-CRAIPNDOSA-N 1 1 365.493 2.590 10 0 FFAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cn1 ZINC000178419976 510595197 /nfs/dbraw/zinc/59/51/97/510595197.db2.gz AOQLAQVWIQBMHX-UHFFFAOYSA-N 1 1 367.375 2.577 10 0 FFAEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cn1 ZINC000178419976 510595204 /nfs/dbraw/zinc/59/52/04/510595204.db2.gz AOQLAQVWIQBMHX-UHFFFAOYSA-N 1 1 367.375 2.577 10 0 FFAEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000175337170 510597256 /nfs/dbraw/zinc/59/72/56/510597256.db2.gz TYYQMIUPNZESFQ-INIZCTEOSA-N 1 1 369.456 2.663 10 0 FFAEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000175340215 510598722 /nfs/dbraw/zinc/59/87/22/510598722.db2.gz DCTPHKZSUWZCSR-WIYYLYMNSA-N 1 1 359.514 2.679 10 0 FFAEMO CCc1ccc(C(=O)CCC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)cc1 ZINC000246677809 510614329 /nfs/dbraw/zinc/61/43/29/510614329.db2.gz ASXYIVVPHKUEPV-QFBILLFUSA-N 1 1 360.498 2.516 10 0 FFAEMO CCc1ccc(C(=O)CCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)cc1 ZINC000246677809 510614334 /nfs/dbraw/zinc/61/43/34/510614334.db2.gz ASXYIVVPHKUEPV-QFBILLFUSA-N 1 1 360.498 2.516 10 0 FFAEMO O[C@H](C[N@@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000185005228 510628642 /nfs/dbraw/zinc/62/86/42/510628642.db2.gz GWCZFEPBXKTNOZ-SWLSCSKDSA-N 1 1 369.238 2.550 10 0 FFAEMO O[C@H](C[N@H+]1CCC[C@H](n2cncn2)C1)c1ccc(F)c(Br)c1 ZINC000185005228 510628647 /nfs/dbraw/zinc/62/86/47/510628647.db2.gz GWCZFEPBXKTNOZ-SWLSCSKDSA-N 1 1 369.238 2.550 10 0 FFAEMO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000246714254 510630645 /nfs/dbraw/zinc/63/06/45/510630645.db2.gz FMIOPMUZNNNTDE-YWZLYKJASA-N 1 1 362.470 2.618 10 0 FFAEMO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000246714254 510630651 /nfs/dbraw/zinc/63/06/51/510630651.db2.gz FMIOPMUZNNNTDE-YWZLYKJASA-N 1 1 362.470 2.618 10 0 FFAEMO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246733057 510641859 /nfs/dbraw/zinc/64/18/59/510641859.db2.gz FPANHEWYPDZZOJ-QFMLELGNSA-N 1 1 371.525 2.963 10 0 FFAEMO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246733030 510641933 /nfs/dbraw/zinc/64/19/33/510641933.db2.gz FPANHEWYPDZZOJ-MNIJEXPFSA-N 1 1 371.525 2.963 10 0 FFAEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000246749194 510650832 /nfs/dbraw/zinc/65/08/32/510650832.db2.gz ACJSVDKYSPKOMC-HZSPNIEDSA-N 1 1 359.297 2.902 10 0 FFAEMO Cc1cc(CCCC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)s1 ZINC000175449363 510651049 /nfs/dbraw/zinc/65/10/49/510651049.db2.gz YWAAIGQGLULCDX-KDOFPFPSSA-N 1 1 350.528 2.867 10 0 FFAEMO 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