smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)[n-]c(-c2ccccc2C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000023145063 936384751 /nfs/dbraw/zinc/38/47/51/936384751.db2.gz WTPOUYVPOVRVTE-IBGZPJMESA-N 0 3 374.488 3.595 50 0 FHAAHN Cc1cc(=O)[n-]c(-c2ccccc2C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000023145063 936384755 /nfs/dbraw/zinc/38/47/55/936384755.db2.gz WTPOUYVPOVRVTE-IBGZPJMESA-N 0 3 374.488 3.595 50 0 FHAAHN COc1ccc2c(c1F)CC[C@H]2NCc1ccc(-n2ccnc2C)nc1 ZINC000289183246 929771636 /nfs/dbraw/zinc/77/16/36/929771636.db2.gz IMAQAPGVQUHUBK-QGZVFWFLSA-N 0 3 352.413 3.501 50 0 FHAAHN c1csc(CCOc2cc(-c3cccnc3)cc3c2OCCNC3)c1 ZINC000299770900 945125868 /nfs/dbraw/zinc/12/58/68/945125868.db2.gz SJVTWGGQSGPAAU-UHFFFAOYSA-N 0 3 352.459 3.914 50 0 FHAAHN COc1cc([C@H]2NCCc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000023279661 939962671 /nfs/dbraw/zinc/96/26/71/939962671.db2.gz YKZLHVOXMLSVTE-MRXNPFEDSA-N 0 3 373.250 3.880 50 0 FHAAHN COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)cc(Br)c1O ZINC000023279658 939962867 /nfs/dbraw/zinc/96/28/67/939962867.db2.gz YKZLHVOXMLSVTE-INIZCTEOSA-N 0 3 373.250 3.880 50 0 FHAAHN CC(C)NC(=O)N1CCC(N2CC3(CCCCC3)[C@H]2c2ccncc2)CC1 ZINC000581802036 940610241 /nfs/dbraw/zinc/61/02/41/940610241.db2.gz FNTFLDUEAPBUIH-HXUWFJFHSA-N 0 3 370.541 3.971 50 0 FHAAHN COCc1nnc2n1CCC1(CCN(Cc3ccccc3Cl)CC1)CC2 ZINC000675012777 943611647 /nfs/dbraw/zinc/61/16/47/943611647.db2.gz RNXAWUTXXIBUPX-UHFFFAOYSA-N 0 3 374.916 3.697 50 0 FHAAHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)ccc1OCc1c(C)noc1C ZINC000030908429 203872089 /nfs/dbraw/zinc/87/20/89/203872089.db2.gz GIKJWFLRUICSBJ-KDOFPFPSSA-N 0 3 360.454 3.536 50 0 FHAAHN O=C1CC(N(O)c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl ZINC000002261745 204031830 /nfs/dbraw/zinc/03/18/30/204031830.db2.gz KDSQFJVFNDMYOF-CYBMUJFWSA-N 0 3 351.189 3.521 50 0 FHAAHN CCc1ccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccncc2)cc1 ZINC000003049877 204075521 /nfs/dbraw/zinc/07/55/21/204075521.db2.gz MAKMMGWLCYRFCU-MRXNPFEDSA-N 0 3 356.539 3.966 50 0 FHAAHN C[C@@H](NC(=S)NCCc1ccccc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003211445 204081941 /nfs/dbraw/zinc/08/19/41/204081941.db2.gz NRQMKRQAOPNFFE-APWZRJJASA-N 0 3 373.591 3.980 50 0 FHAAHN CCc1ccc(OCc2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)cc1 ZINC000002761504 204055789 /nfs/dbraw/zinc/05/57/89/204055789.db2.gz FGXMJUBJWIASLT-OAQYLSRUSA-N 0 3 364.489 3.748 50 0 FHAAHN COc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000003376655 204096831 /nfs/dbraw/zinc/09/68/31/204096831.db2.gz LFSGPAYFZBTLNW-FQEVSTJZSA-N 0 3 372.896 3.844 50 0 FHAAHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1F ZINC000004670739 204153361 /nfs/dbraw/zinc/15/33/61/204153361.db2.gz KQRRVNCMYBDWRR-UHFFFAOYSA-N 0 3 353.821 3.539 50 0 FHAAHN COc1cc(CN[C@H](C)Cc2ccco2)cc(Br)c1OC ZINC000035254476 204204415 /nfs/dbraw/zinc/20/44/15/204204415.db2.gz DYWMVZDBONSALV-LLVKDONJSA-N 0 3 354.244 3.780 50 0 FHAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccn1)N(c1ccccn1)C3=O ZINC000005325035 204203263 /nfs/dbraw/zinc/20/32/63/204203263.db2.gz NBTCVPMNKGRHDX-LJQANCHMSA-N 0 3 369.380 3.641 50 0 FHAAHN CCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000006725947 204262982 /nfs/dbraw/zinc/26/29/82/204262982.db2.gz QRSCQGGVQHJCIR-UHFFFAOYSA-N 0 3 353.466 3.871 50 0 FHAAHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000008535317 204334056 /nfs/dbraw/zinc/33/40/56/204334056.db2.gz GPKJDEBNZXWVEQ-MRXNPFEDSA-N 0 3 370.493 3.840 50 0 FHAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccccc1F ZINC000008535070 204334226 /nfs/dbraw/zinc/33/42/26/204334226.db2.gz REOAXZHYSSVYHR-GFCCVEGCSA-N 0 3 368.246 3.638 50 0 FHAAHN CN(CCCNC(=O)c1cccnc1SC(F)F)Cc1ccccc1 ZINC000009982911 204387000 /nfs/dbraw/zinc/38/70/00/204387000.db2.gz MBGFVXLINXEVKN-UHFFFAOYSA-N 0 3 365.449 3.648 50 0 FHAAHN COc1cccc(CNCCCn2ccnc2)c1OCc1ccccc1 ZINC000010313994 204394419 /nfs/dbraw/zinc/39/44/19/204394419.db2.gz JRLWWTYHBYSLTQ-UHFFFAOYSA-N 0 3 351.450 3.651 50 0 FHAAHN COCCCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036099928 205005836 /nfs/dbraw/zinc/00/58/36/205005836.db2.gz YRNDHUBVHGYSEM-OAQYLSRUSA-N 0 3 357.494 3.582 50 0 FHAAHN COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000039762397 205047994 /nfs/dbraw/zinc/04/79/94/205047994.db2.gz DXGCSAOQHFFGGC-UHFFFAOYSA-N 0 3 354.450 3.555 50 0 FHAAHN Cc1nc2ccc(NC(=O)NCc3ccccc3CN(C)C)cc2s1 ZINC000040103263 205054466 /nfs/dbraw/zinc/05/44/66/205054466.db2.gz QJPDRKZFEFHLTA-UHFFFAOYSA-N 0 3 354.479 3.988 50 0 FHAAHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OC(C)C ZINC000040728858 205078763 /nfs/dbraw/zinc/07/87/63/205078763.db2.gz VNNNRXNXEGMDQK-CYBMUJFWSA-N 0 3 358.276 3.514 50 0 FHAAHN Cc1cccc(COc2ccc3ccccc3c2CNCCOCCO)c1 ZINC000040734929 205078960 /nfs/dbraw/zinc/07/89/60/205078960.db2.gz GKAFQXGILOQQPT-UHFFFAOYSA-N 0 3 365.473 3.826 50 0 FHAAHN Clc1cccc(COc2ccccc2CNCCCN2CCOCC2)c1 ZINC000040719926 205077367 /nfs/dbraw/zinc/07/73/67/205077367.db2.gz COXPLQSUFFBEKI-UHFFFAOYSA-N 0 3 374.912 3.731 50 0 FHAAHN CC(C)Oc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl ZINC000040719684 205077969 /nfs/dbraw/zinc/07/79/69/205077969.db2.gz VKMIEFJMWQDDCU-UHFFFAOYSA-N 0 3 361.313 3.593 50 0 FHAAHN Cc1ccc(-c2noc([C@@H](C)N3CCN(CCC(C)C)CC3)n2)cc1F ZINC000048366496 205161510 /nfs/dbraw/zinc/16/15/10/205161510.db2.gz LUNABOSJJPCHRV-MRXNPFEDSA-N 0 3 360.477 3.909 50 0 FHAAHN O=C(Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1)[C@@H]1CC[NH2+]C1 ZINC000055098947 205207165 /nfs/dbraw/zinc/20/71/65/205207165.db2.gz IORYSVLFKFYUNW-SYJIQKIWSA-N 0 3 359.429 3.659 50 0 FHAAHN Cc1ccsc1CN(CCN(C)C)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000055357640 205216518 /nfs/dbraw/zinc/21/65/18/205216518.db2.gz RNBCBWUINSRJLF-UHFFFAOYSA-N 0 3 369.534 3.979 50 0 FHAAHN CN(C)[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000057318518 205237025 /nfs/dbraw/zinc/23/70/25/205237025.db2.gz QZKVDRVRCHLVSG-INIZCTEOSA-N 0 3 364.478 3.592 50 0 FHAAHN C(CN1CCCCC1)Sc1nnc(SCCN2CCCCC2)s1 ZINC000057471746 205240679 /nfs/dbraw/zinc/24/06/79/205240679.db2.gz LKDUYRIFDROYKQ-UHFFFAOYSA-N 0 3 372.629 3.694 50 0 FHAAHN C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000057679510 205244851 /nfs/dbraw/zinc/24/48/51/205244851.db2.gz GQCDOMQAWPVHTN-STQMWFEESA-N 0 3 351.878 3.538 50 0 FHAAHN C[C@@H](CNC(=O)CCCc1nc2ccccc2s1)N1CCC(C)CC1 ZINC000058159276 205250982 /nfs/dbraw/zinc/25/09/82/205250982.db2.gz QKYHWZYZOHNFAJ-INIZCTEOSA-N 0 3 359.539 3.856 50 0 FHAAHN OCc1ccccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000058224451 205264285 /nfs/dbraw/zinc/26/42/85/205264285.db2.gz HMGCGQATXCFPKO-UHFFFAOYSA-N 0 3 361.367 3.673 50 0 FHAAHN CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000058330188 205271080 /nfs/dbraw/zinc/27/10/80/205271080.db2.gz IBSXGVNJGXOFTN-QGZVFWFLSA-N 0 3 356.445 3.597 50 0 FHAAHN COc1ccc2nc3oc(C(=O)NCCN4CCCC[C@@H]4C)cc3cc2c1 ZINC000065331042 205337337 /nfs/dbraw/zinc/33/73/37/205337337.db2.gz AROGZXRBIJVPAU-AWEZNQCLSA-N 0 3 367.449 3.594 50 0 FHAAHN Cc1cccc(NC(=O)CNCC2(c3ccccc3)CCOCC2)c1C ZINC000065397851 205347140 /nfs/dbraw/zinc/34/71/40/205347140.db2.gz BLWUVACFJABGPW-UHFFFAOYSA-N 0 3 352.478 3.580 50 0 FHAAHN CCCCc1ncc(CN2CC[C@]3(C2)CCCN(C(=O)C(C)(C)C)C3)[nH]1 ZINC000067515126 205375164 /nfs/dbraw/zinc/37/51/64/205375164.db2.gz AJCWBWFQKTVPDB-NRFANRHFSA-N 0 3 360.546 3.613 50 0 FHAAHN COc1ccccc1-n1cc(C2=CCN(CCc3ccccn3)CC2)cn1 ZINC000067690932 205383370 /nfs/dbraw/zinc/38/33/70/205383370.db2.gz AZZONFOGFBNPKJ-UHFFFAOYSA-N 0 3 360.461 3.608 50 0 FHAAHN CN(CC[C@H]1CCCCO1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067695682 205383838 /nfs/dbraw/zinc/38/38/38/205383838.db2.gz MNAAJQVSFGJQCA-LJQANCHMSA-N 0 3 350.466 3.787 50 0 FHAAHN Cc1cc(CN2CCCCC2)cc(C)c1Oc1cncc(C(=O)N(C)C)n1 ZINC000067770203 205388745 /nfs/dbraw/zinc/38/87/45/205388745.db2.gz WPRLPUOBLXQGSR-UHFFFAOYSA-N 0 3 368.481 3.573 50 0 FHAAHN CC1(C)C[C@H](CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)CCO1 ZINC000067805880 205392780 /nfs/dbraw/zinc/39/27/80/205392780.db2.gz QNPHCYDXQSALLT-MRXNPFEDSA-N 0 3 368.477 3.854 50 0 FHAAHN Oc1cccc2ccc(CN3CCC([C@@H](O)Cc4ccccc4)CC3)nc12 ZINC000067833623 205395127 /nfs/dbraw/zinc/39/51/27/205395127.db2.gz ZQDOBNJWENKSMF-QFIPXVFZSA-N 0 3 362.473 3.756 50 0 FHAAHN c1nc(-c2ccccc2)c(-c2cc3ccccc3[nH]2)n1C[C@H]1CNCCO1 ZINC000067850324 205397731 /nfs/dbraw/zinc/39/77/31/205397731.db2.gz MTGLVGSICZODKD-GOSISDBHSA-N 0 3 358.445 3.687 50 0 FHAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(C(C)C)c3)cnn2c1 ZINC000067856336 205397841 /nfs/dbraw/zinc/39/78/41/205397841.db2.gz NCEGOMULZHMGDU-UHFFFAOYSA-N 0 3 365.481 3.947 50 0 FHAAHN Cc1noc(-c2ccnc(Oc3ccc(CN4CCCC4)cc3F)c2)n1 ZINC000067921103 205403920 /nfs/dbraw/zinc/40/39/20/205403920.db2.gz MXXBFAKRFAZMIB-UHFFFAOYSA-N 0 3 354.385 3.967 50 0 FHAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000136436140 206130695 /nfs/dbraw/zinc/13/06/95/206130695.db2.gz NWAYJQLHBBIFSC-XUVXKRRUSA-N 0 3 374.396 3.639 50 0 FHAAHN C[C@H](NC[C@H]1C(=O)O[C@@H]2CC3=CCC[C@@H](C)[C@@]3(C)[C@H](O)[C@@H]21)c1ccccc1 ZINC000004028411 206164082 /nfs/dbraw/zinc/16/40/82/206164082.db2.gz YSIINEYFHDVBCW-QQDLDYALSA-N 0 3 369.505 3.622 50 0 biogenic FHAAHN COc1ccc([C@H](CNc2ncnc3sccc32)N2CCCC2)cc1 ZINC000006941141 206205874 /nfs/dbraw/zinc/20/58/74/206205874.db2.gz GHBHUIZSQJQIRS-KRWDZBQOSA-N 0 3 354.479 3.949 50 0 FHAAHN O=c1[nH]c2ccccc2cc1CNCCNc1ncccc1C(F)(F)F ZINC000152755311 206198560 /nfs/dbraw/zinc/19/85/60/206198560.db2.gz KOJIXVJPPRACGJ-UHFFFAOYSA-N 0 3 362.355 3.556 50 0 FHAAHN Cc1ccc([C@@H](CNC(=O)Nc2nc(C(F)(F)F)cs2)N(C)C)cc1 ZINC000170596285 206271384 /nfs/dbraw/zinc/27/13/84/206271384.db2.gz BYKPFDOJFINBKI-GFCCVEGCSA-N 0 3 372.416 3.895 50 0 FHAAHN CC(C)C[C@@H](N[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 ZINC000012751464 206295898 /nfs/dbraw/zinc/29/58/98/206295898.db2.gz DPFWUYMXHYMRFZ-KBXCAEBGSA-N 0 3 366.465 3.560 50 0 FHAAHN c1cc([C@H]2CCCCO2)oc1CN1CCC(N2CCSCC2)CC1 ZINC000215562194 206346964 /nfs/dbraw/zinc/34/69/64/206346964.db2.gz FRFAUFOTWVEHHV-GOSISDBHSA-N 0 3 350.528 3.534 50 0 FHAAHN c1cc([C@@H]2CCCCO2)oc1CN1CCC(N2CCSCC2)CC1 ZINC000215562149 206347165 /nfs/dbraw/zinc/34/71/65/206347165.db2.gz FRFAUFOTWVEHHV-SFHVURJKSA-N 0 3 350.528 3.534 50 0 FHAAHN c1cc([C@@H]2CCCO2)sc1CN1CCN(C2CCSCC2)CC1 ZINC000215780936 206352473 /nfs/dbraw/zinc/35/24/73/206352473.db2.gz MWOMPCSSWKDZQR-KRWDZBQOSA-N 0 3 352.569 3.613 50 0 FHAAHN COc1ccc([C@@H](CNCc2cc(OC)cc(OC)c2)N2CCCC2)cc1 ZINC000022787451 206391604 /nfs/dbraw/zinc/39/16/04/206391604.db2.gz YURUEYMHJLMTJB-JOCHJYFZSA-N 0 3 370.493 3.639 50 0 FHAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1cccs1)N(C)C ZINC000022787363 206392847 /nfs/dbraw/zinc/39/28/47/206392847.db2.gz VNKPJRHUGCXQSH-LJQANCHMSA-N 0 3 354.523 3.943 50 0 FHAAHN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H](CN(C)C)O3)cn2)cc1C ZINC000225408723 206479092 /nfs/dbraw/zinc/47/90/92/206479092.db2.gz YUGMMGBBEBJGGJ-OALUTQOASA-N 0 3 369.465 3.538 50 0 FHAAHN CN(Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000060343651 221129560 /nfs/dbraw/zinc/12/95/60/221129560.db2.gz WIYHIGVTWYZILZ-OAHLLOKOSA-N 0 3 363.383 3.548 50 0 FHAAHN COCCn1ccnc1[C@@H]1CCCN(c2cc(C)nc3ccccc32)C1 ZINC000091663468 132203007 /nfs/dbraw/zinc/20/30/07/132203007.db2.gz YUKVYLAGRXCVSD-QGZVFWFLSA-N 0 3 350.466 3.770 50 0 FHAAHN C[C@@H](NCc1ccnc(N2CCN(C)CC2)c1)c1cccc2ccccc21 ZINC000095395908 132210857 /nfs/dbraw/zinc/21/08/57/132210857.db2.gz UHAOBPHBNQBUIP-GOSISDBHSA-N 0 3 360.505 3.837 50 0 FHAAHN CC[C@H](NC1CCN(c2nc(C)nc3sccc32)CC1)c1nc(C)c[nH]1 ZINC000096136575 132219969 /nfs/dbraw/zinc/21/99/69/132219969.db2.gz YCORJKKFVZNWNU-INIZCTEOSA-N 0 3 370.526 3.741 50 0 FHAAHN Cc1cccc(N2CCN(CC[C@H](C)NC(=O)Nc3ccccc3)CC2)c1 ZINC000031098659 136117354 /nfs/dbraw/zinc/11/73/54/136117354.db2.gz TWLDYNMTFACNIV-IBGZPJMESA-N 0 3 366.509 3.717 50 0 FHAAHN Cc1ccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1F ZINC000048363943 136123613 /nfs/dbraw/zinc/12/36/13/136123613.db2.gz IONNRXRXAXQQIM-UHFFFAOYSA-N 0 3 355.457 3.917 50 0 FHAAHN CCOc1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000058006189 136130280 /nfs/dbraw/zinc/13/02/80/136130280.db2.gz MLJSLJRWHUOOMF-UHFFFAOYSA-N 0 3 367.493 3.868 50 0 FHAAHN 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/nfs/dbraw/zinc/20/03/81/571200381.db2.gz FFQBLBIUXKONMG-UHFFFAOYSA-N 0 3 352.050 3.507 50 0 FHAAHN CSCCN1CCC(NC(=O)c2cccc(-c3cccs3)c2)CC1 ZINC000299790217 571200507 /nfs/dbraw/zinc/20/05/07/571200507.db2.gz BBCSQKQKFIOJEP-UHFFFAOYSA-N 0 3 360.548 3.972 50 0 FHAAHN COCCN1CCC(CN(C)C(=O)Nc2cccc3cc(C)oc32)CC1 ZINC000299793897 571201687 /nfs/dbraw/zinc/20/16/87/571201687.db2.gz IPALUVCGLYXYER-UHFFFAOYSA-N 0 3 359.470 3.563 50 0 FHAAHN CC(C)n1cc(NC(=O)NC[C@H](c2ccccc2)N2CCCCCC2)nn1 ZINC000299799179 571202826 /nfs/dbraw/zinc/20/28/26/571202826.db2.gz RERKOPQIMGLTRH-GOSISDBHSA-N 0 3 370.501 3.598 50 0 FHAAHN CC(C)n1cc(NC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)nn1 ZINC000299799183 571202969 /nfs/dbraw/zinc/20/29/69/571202969.db2.gz RERKOPQIMGLTRH-SFHVURJKSA-N 0 3 370.501 3.598 50 0 FHAAHN Cc1ccccc1[C@H](CNC(=O)N(C)Cc1ccon1)N1CCC(C)CC1 ZINC000534591689 571205716 /nfs/dbraw/zinc/20/57/16/571205716.db2.gz MNIAMYFCHFIRKX-FQEVSTJZSA-N 0 3 370.497 3.598 50 0 FHAAHN COCCC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2OC)nc1 ZINC000077392617 571209888 /nfs/dbraw/zinc/20/98/88/571209888.db2.gz VWEKCOLSOPFPND-SFHVURJKSA-N 0 3 355.482 3.933 50 0 FHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccccn2)cc1 ZINC000077536423 571214792 /nfs/dbraw/zinc/21/47/92/571214792.db2.gz NDTNWHPENCYAKR-OAQYLSRUSA-N 0 3 351.494 3.830 50 0 FHAAHN COCCCN1C[C@]2(CCCN(Cc3ccc4occc4c3)C2)CCC1=O ZINC000077538863 571215021 /nfs/dbraw/zinc/21/50/21/571215021.db2.gz IHFHLRPXJBTPIH-JOCHJYFZSA-N 0 3 370.493 3.674 50 0 FHAAHN COCCCN1C[C@@]2(CCCN(Cc3ccc4occc4c3)C2)CCC1=O ZINC000077538857 571215057 /nfs/dbraw/zinc/21/50/57/571215057.db2.gz IHFHLRPXJBTPIH-QFIPXVFZSA-N 0 3 370.493 3.674 50 0 FHAAHN Cc1cc(N)nc(C)c1-c1ccc(C(=O)N(Cc2ccccn2)C2CC2)cc1 ZINC000426423732 571223563 /nfs/dbraw/zinc/22/35/63/571223563.db2.gz RIXBEBRBCSEJDR-UHFFFAOYSA-N 0 3 372.472 3.978 50 0 FHAAHN O=C(N[C@@H]1CCCN(Cc2cnc[nH]2)CC1)c1cc2c(s1)CCCCC2 ZINC000082083082 571227623 /nfs/dbraw/zinc/22/76/23/571227623.db2.gz GJQNIPHUHADVDH-MRXNPFEDSA-N 0 3 372.538 3.525 50 0 FHAAHN O=C(c1ccc(-c2ccncc2F)cc1)N1CCCC[C@@H]1CN1CCCC1 ZINC000426563215 571231888 /nfs/dbraw/zinc/23/18/88/571231888.db2.gz VLVCPIDCMOGZPB-LJQANCHMSA-N 0 3 367.468 3.978 50 0 FHAAHN Cc1cc(Cl)ccc1-c1cccc(C(=O)NCC2(O)CCN(C)CC2)c1 ZINC000426575169 571232084 /nfs/dbraw/zinc/23/20/84/571232084.db2.gz VHFPIDOQNFWMCL-UHFFFAOYSA-N 0 3 372.896 3.502 50 0 FHAAHN c1cc2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cscn3)C4)ccc2[nH]1 ZINC000091445046 571239911 /nfs/dbraw/zinc/23/99/11/571239911.db2.gz AUFQEMIYSSPTQT-QFBILLFUSA-N 0 3 352.507 3.721 50 0 FHAAHN O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccc3ccccc3c1)C2 ZINC000091594964 571241025 /nfs/dbraw/zinc/24/10/25/571241025.db2.gz LFYPXBDRSNDUGT-AUSIDOKSSA-N 0 3 371.484 3.971 50 0 FHAAHN COCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1 ZINC000000538120 571275448 /nfs/dbraw/zinc/27/54/48/571275448.db2.gz NYISTOZKVCMVEL-UHFFFAOYSA-N 0 3 370.468 3.512 50 0 investigational FHAAHN CC[C@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1C ZINC000252484806 571280337 /nfs/dbraw/zinc/28/03/37/571280337.db2.gz GIFIPSYELVEVEN-KRWDZBQOSA-N 0 3 368.525 3.865 50 0 FHAAHN O=C(c1cc(C2CC2)on1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000252549095 571283307 /nfs/dbraw/zinc/28/33/07/571283307.db2.gz QUJBQWYWHPVZIB-QFIPXVFZSA-N 0 3 365.477 3.680 50 0 FHAAHN O=C(c1cc(C2CC2)on1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000252549094 571283346 /nfs/dbraw/zinc/28/33/46/571283346.db2.gz QUJBQWYWHPVZIB-JOCHJYFZSA-N 0 3 365.477 3.680 50 0 FHAAHN COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@@H]1c1cc(C)no1 ZINC000052010443 571309017 /nfs/dbraw/zinc/30/90/17/571309017.db2.gz MADMEHWBSXLMQE-OAHLLOKOSA-N 0 3 363.845 3.811 50 0 FHAAHN CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C12CCCC2 ZINC000253430011 571313376 /nfs/dbraw/zinc/31/33/76/571313376.db2.gz PKEVQKRUZNAJLH-ZYSHUDEJSA-N 0 3 362.489 3.500 50 0 FHAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1c[nH]c(=O)c2ccccc12 ZINC000253537003 571318849 /nfs/dbraw/zinc/31/88/49/571318849.db2.gz YLVVPUQOKDFHTG-HXUWFJFHSA-N 0 3 361.445 3.507 50 0 FHAAHN CC(C)Oc1ccc([C@H](O)CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000093965576 571327355 /nfs/dbraw/zinc/32/73/55/571327355.db2.gz UHUCXGVFPUAPQI-GOSISDBHSA-N 0 3 371.506 3.759 50 0 FHAAHN Cc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000095397786 571329323 /nfs/dbraw/zinc/32/93/23/571329323.db2.gz HHEQNYQLYAAHSE-SFHVURJKSA-N 0 3 352.478 3.716 50 0 FHAAHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000095456152 571330025 /nfs/dbraw/zinc/33/00/25/571330025.db2.gz UPZZLHYQACOFHA-UHFFFAOYSA-N 0 3 352.910 3.744 50 0 FHAAHN CN1CCc2c(CNC(=O)NC3CCCCC3)c(-n3cccc3)sc2C1 ZINC000020865042 571331881 /nfs/dbraw/zinc/33/18/81/571331881.db2.gz SKLRZLHGTUHJGZ-UHFFFAOYSA-N 0 3 372.538 3.659 50 0 FHAAHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)OCCCO2)c1ccsc1 ZINC000031986823 571354760 /nfs/dbraw/zinc/35/47/60/571354760.db2.gz CFELXRGVWHVWSD-QGZVFWFLSA-N 0 3 374.506 3.722 50 0 FHAAHN COc1cccc2c1CCN(Cc1cnc3c(cnn3C(C)C)c1)CC2 ZINC000193710952 930208965 /nfs/dbraw/zinc/20/89/65/930208965.db2.gz IDHJMPODVQROCB-UHFFFAOYSA-N 0 3 350.466 3.622 50 0 FHAAHN CC(C)COc1ccccc1[C@@H](CC(C)C)NC1CCS(=O)(=O)CC1 ZINC000291251013 934645483 /nfs/dbraw/zinc/64/54/83/934645483.db2.gz VYVSFYZIRCMULQ-LJQANCHMSA-N 0 3 367.555 3.975 50 0 FHAAHN C[C@@H](NCc1ccccc1CN1CCCC1=O)c1ccc2c(c1)CCO2 ZINC000177899896 940479899 /nfs/dbraw/zinc/47/98/99/940479899.db2.gz UMVOLJOETOBHIH-MRXNPFEDSA-N 0 3 350.462 3.595 50 0 FHAAHN CO[C@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1sccc1C)CC2 ZINC000257176656 942778966 /nfs/dbraw/zinc/77/89/66/942778966.db2.gz CVWDIYPVVCYRGJ-SFHVURJKSA-N 0 3 374.481 3.592 50 0 FHAAHN c1ccc2sc(-c3cc4c(c(O[C@@H]5CCOC5)c3)OCCNC4)nc2c1 ZINC000299776646 203764192 /nfs/dbraw/zinc/76/41/92/203764192.db2.gz BOKYRSWWFIEFDT-OAHLLOKOSA-N 0 3 368.458 3.613 50 0 FHAAHN O=C(/C=C\SCc1ccco1)NC1CCN(Cc2ccccc2)CC1 ZINC000096057878 203926126 /nfs/dbraw/zinc/92/61/26/203926126.db2.gz JCCCENKMROUZHZ-UVTDQMKNSA-N 0 3 356.491 3.807 50 0 FHAAHN CC(C)c1nc2sc3c(ncnc3NCCN(C)C)c2c2c1CCC2 ZINC000002429322 204039329 /nfs/dbraw/zinc/03/93/29/204039329.db2.gz WBSHJVNYEUTEEG-UHFFFAOYSA-N 0 3 355.511 3.825 50 0 FHAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(F)cc1F ZINC000009750884 203998350 /nfs/dbraw/zinc/99/83/50/203998350.db2.gz XHOIZWDLAAAWAU-HNNXBMFYSA-N 0 3 351.422 3.985 50 0 FHAAHN CN(C)[C@H](CNC(=O)COc1ccccc1F)c1cccc2ccccc21 ZINC000010330516 204009179 /nfs/dbraw/zinc/00/91/79/204009179.db2.gz CTHUKAPNDFPQMA-HXUWFJFHSA-N 0 3 366.436 3.777 50 0 FHAAHN CN(C)CCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21 ZINC000003035114 204074313 /nfs/dbraw/zinc/07/43/13/204074313.db2.gz BLLNABVGUNMAFI-UHFFFAOYSA-N 0 3 369.465 3.817 50 0 FHAAHN CCn1c2ccccc2c2cc(NC(=O)CNC[C@@H]3CCCO3)ccc21 ZINC000003331000 204092421 /nfs/dbraw/zinc/09/24/21/204092421.db2.gz WEQMXWTVSYUUSB-INIZCTEOSA-N 0 3 351.450 3.522 50 0 FHAAHN COc1cccc(CN(C)C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000002631884 204047545 /nfs/dbraw/zinc/04/75/45/204047545.db2.gz MWCKTMHFLWUHMI-HNNXBMFYSA-N 0 3 370.276 3.874 50 0 FHAAHN CCOc1ccccc1CN1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734716 204052932 /nfs/dbraw/zinc/05/29/32/204052932.db2.gz SXMVAVVUUHFGAG-OAQYLSRUSA-N 0 3 366.505 3.956 50 0 FHAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000003628197 204109057 /nfs/dbraw/zinc/10/90/57/204109057.db2.gz MVISHVPUQTWFAY-UHFFFAOYSA-N 0 3 354.450 3.746 50 0 FHAAHN Cc1cccc(C)c1N1C(=O)C[C@@H](NCC23CC4CC(CC(C4)C2)C3)C1=O ZINC000004452368 204139887 /nfs/dbraw/zinc/13/98/87/204139887.db2.gz HNCWJMWXWVNAEF-GYVBGXKYSA-N 0 3 366.505 3.741 50 0 FHAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OC)c2)CC1 ZINC000004551730 204145912 /nfs/dbraw/zinc/14/59/12/204145912.db2.gz BXXDHQAKVIETER-UHFFFAOYSA-N 0 3 366.505 3.956 50 0 FHAAHN Nc1[nH]nc2nc(Nc3ccccc3)c3c(c12)CCN(C1CCCCC1)C3 ZINC000005207650 204197766 /nfs/dbraw/zinc/19/77/66/204197766.db2.gz NDHXKRVDYQGKOP-UHFFFAOYSA-N 0 3 362.481 3.975 50 0 FHAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 ZINC000005241987 204198256 /nfs/dbraw/zinc/19/82/56/204198256.db2.gz DLUUWTKMGYQGRU-MRXNPFEDSA-N 0 3 362.857 3.591 50 0 FHAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005296149 204201699 /nfs/dbraw/zinc/20/16/99/204201699.db2.gz QZJUSLSPHLPBGZ-HXUWFJFHSA-N 0 3 362.477 3.827 50 0 FHAAHN O[C@H](CNC[C@@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085909 204237601 /nfs/dbraw/zinc/23/76/01/204237601.db2.gz AJPQLHOKRRLUMH-DLBZAZTESA-N 0 3 366.288 3.877 50 0 FHAAHN COc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2)N2CCCC2)cc1 ZINC000006650243 204258565 /nfs/dbraw/zinc/25/85/65/204258565.db2.gz CWEAGIGFWXKNQS-FQEVSTJZSA-N 0 3 353.466 3.962 50 0 FHAAHN O=C(CSc1ccccc1F)NC[C@H](c1ccccc1)N1CCCC1 ZINC000007652038 204301501 /nfs/dbraw/zinc/30/15/01/204301501.db2.gz APBWPQTXLNIEIN-GOSISDBHSA-N 0 3 358.482 3.871 50 0 FHAAHN C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCC1 ZINC000008327458 204328025 /nfs/dbraw/zinc/32/80/25/204328025.db2.gz SSDJHXCDVCEQKR-MAUKXSAKSA-N 0 3 367.518 3.962 50 0 FHAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008535063 204334153 /nfs/dbraw/zinc/33/41/53/204334153.db2.gz DPKYPGUAURNUCP-GFCCVEGCSA-N 0 3 368.246 3.638 50 0 FHAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)C3CCN(C)CC3)cc12 ZINC000009050744 204352857 /nfs/dbraw/zinc/35/28/57/204352857.db2.gz YUWRQNRUHIETJL-UHFFFAOYSA-N 0 3 368.506 3.562 50 0 FHAAHN CCOc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCC1)O[C@@H](C)C2 ZINC000022933810 204792994 /nfs/dbraw/zinc/79/29/94/204792994.db2.gz CUOMTNSDJHCUTN-LPHOPBHVSA-N 0 3 370.493 3.928 50 0 FHAAHN O=c1c2sccc2nc(SCCN2CCCC2)n1-c1ccccc1 ZINC000031814863 204921273 /nfs/dbraw/zinc/92/12/73/204921273.db2.gz IZAKJRODKCPFPP-UHFFFAOYSA-N 0 3 357.504 3.635 50 0 FHAAHN O=C(NCc1ccc(F)cc1)c1ccc(SCCN2CCCCC2)nc1 ZINC000033274472 204963030 /nfs/dbraw/zinc/96/30/30/204963030.db2.gz RCKPHMFYIMKVGP-UHFFFAOYSA-N 0 3 373.497 3.729 50 0 FHAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)COC(C)(C)C)c1OC ZINC000036097312 205002966 /nfs/dbraw/zinc/00/29/66/205002966.db2.gz PVZRREOTSVTBOX-SFHVURJKSA-N 0 3 367.530 3.728 50 0 FHAAHN CCCN(Cc1cccc(OC)c1OC)C[C@H](O)COc1ccccc1C ZINC000036097244 205003017 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/nfs/dbraw/zinc/47/86/80/570478680.db2.gz NSRIEROEFGCGCW-QGZVFWFLSA-N 0 3 363.465 3.788 50 0 FHAAHN CN(C)Cc1cccc(CN(C)Cc2sc(N(C)C)nc2Cl)c1 ZINC000097529072 570489811 /nfs/dbraw/zinc/48/98/11/570489811.db2.gz URTSNGSKLZSECA-UHFFFAOYSA-N 0 3 352.935 3.556 50 0 FHAAHN O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc2nccnc2c1 ZINC000097547469 570490290 /nfs/dbraw/zinc/49/02/90/570490290.db2.gz WHDAPUUHLWMKSI-JOCHJYFZSA-N 0 3 374.488 3.977 50 0 FHAAHN COCCN(Cc1cccc2ccccc21)C(=O)[C@H]1CCCCCN1C ZINC000097642484 570491575 /nfs/dbraw/zinc/49/15/75/570491575.db2.gz WUVIDXLHQLAMME-OAQYLSRUSA-N 0 3 354.494 3.689 50 0 FHAAHN CCCc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)no1 ZINC000097636488 570491698 /nfs/dbraw/zinc/49/16/98/570491698.db2.gz UWSBDDBQCRZREA-FQEVSTJZSA-N 0 3 355.482 3.974 50 0 FHAAHN COc1ccccc1-c1cccc(NC(=O)N[C@H](C)CN2CCCC2)c1 ZINC000097694956 570492553 /nfs/dbraw/zinc/49/25/53/570492553.db2.gz HKTCFIAIKWKPND-MRXNPFEDSA-N 0 3 353.466 3.968 50 0 FHAAHN CCNC(=O)[C@@H]1C[C@H](c2cccc(C)c2)CN(Cc2ccccc2F)C1 ZINC000034711186 570532695 /nfs/dbraw/zinc/53/26/95/570532695.db2.gz YBDKHMQPMBHKOT-VQTJNVASSA-N 0 3 354.469 3.876 50 0 FHAAHN Cn1nc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)NCCN1CCCCC1 ZINC000034903628 570559585 /nfs/dbraw/zinc/55/95/85/570559585.db2.gz TXMCRKPMEPFDJX-UHFFFAOYSA-N 0 3 368.525 3.600 50 0 FHAAHN Clc1ccc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)nc1 ZINC000011820839 570595617 /nfs/dbraw/zinc/59/56/17/570595617.db2.gz FROBBYKGNMRFFB-GOSISDBHSA-N 0 3 356.901 3.869 50 0 FHAAHN COCCCC1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2F)CC1 ZINC000011663941 570704730 /nfs/dbraw/zinc/70/47/30/570704730.db2.gz YFQVTTSDASIPPK-UHFFFAOYSA-N 0 3 361.461 3.863 50 0 FHAAHN CCc1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3=O)o1 ZINC000011763261 570706198 /nfs/dbraw/zinc/70/61/98/570706198.db2.gz NLTGLUBYSPFMIA-QFIPXVFZSA-N 0 3 370.468 3.996 50 0 FHAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000011771597 570706794 /nfs/dbraw/zinc/70/67/94/570706794.db2.gz SKJVCXQRWPUOGQ-LJQANCHMSA-N 0 3 356.535 3.846 50 0 FHAAHN CN(C(=O)CCc1ccsc1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011813525 570707201 /nfs/dbraw/zinc/70/72/01/570707201.db2.gz KLVOFXAVORFTCS-FQEVSTJZSA-N 0 3 368.546 3.771 50 0 FHAAHN COc1ccc(/C=C/CN2CCC[C@H](CNC(=O)c3cccs3)C2)cc1 ZINC000011842900 570709207 /nfs/dbraw/zinc/70/92/07/570709207.db2.gz CXVRGFLPFQCOMU-PSQUURQMSA-N 0 3 370.518 3.912 50 0 FHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)C2CCCC2)C1 ZINC000011958587 570713612 /nfs/dbraw/zinc/71/36/12/570713612.db2.gz ZRMXNCDUEQLSBS-SFHVURJKSA-N 0 3 358.526 3.598 50 0 FHAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccc(F)cc1Cl ZINC000012020455 570714083 /nfs/dbraw/zinc/71/40/83/570714083.db2.gz XZUCHPAUQCAKQX-KRWDZBQOSA-N 0 3 372.871 3.841 50 0 FHAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1cccs1 ZINC000012056138 570715689 /nfs/dbraw/zinc/71/56/89/570715689.db2.gz YANRHOGZETZMFY-INIZCTEOSA-N 0 3 360.498 3.914 50 0 FHAAHN CCOC(=O)[C@H]1CCCN(Cc2cn(C)nc2-c2cccc(Cl)c2)C1 ZINC000012057937 570716015 /nfs/dbraw/zinc/71/60/15/570716015.db2.gz OWZMEYWVMDILHW-HNNXBMFYSA-N 0 3 361.873 3.516 50 0 FHAAHN COc1ccc(CN2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CCC2=O)cc1 ZINC000012217534 570727972 /nfs/dbraw/zinc/72/79/72/570727972.db2.gz CCCLPZLCSWTKJC-FPOVZHCZSA-N 0 3 368.521 3.722 50 0 FHAAHN Cc1cccc(CN2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)n1 ZINC000012307422 570735308 /nfs/dbraw/zinc/73/53/08/570735308.db2.gz YBTHJLJHBYXPIZ-JOCHJYFZSA-N 0 3 367.468 3.544 50 0 FHAAHN COc1ccc(-n2cc(CNCCCO)c(-c3ccccc3Cl)n2)cc1 ZINC000012373503 570739999 /nfs/dbraw/zinc/73/99/99/570739999.db2.gz SUFLRRIDBCCRJT-UHFFFAOYSA-N 0 3 371.868 3.673 50 0 FHAAHN O=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)NCc1ccccc1F ZINC000012386833 570741335 /nfs/dbraw/zinc/74/13/35/570741335.db2.gz XZYSWGNEUXGSOH-QGZVFWFLSA-N 0 3 370.468 3.840 50 0 FHAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000012434679 570745218 /nfs/dbraw/zinc/74/52/18/570745218.db2.gz VRKYHLGASHZWRQ-IBGZPJMESA-N 0 3 371.912 3.791 50 0 FHAAHN CN(C)c1ccc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000012449261 570747005 /nfs/dbraw/zinc/74/70/05/570747005.db2.gz MGPLITYXIGQNCC-NRFANRHFSA-N 0 3 365.521 3.580 50 0 FHAAHN COc1cc(CNCc2ccc(NC(C)=O)cc2)ccc1OC(F)F ZINC000017316523 570749277 /nfs/dbraw/zinc/74/92/77/570749277.db2.gz STBSUEXXIXSXQN-UHFFFAOYSA-N 0 3 350.365 3.545 50 0 FHAAHN COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(C)o4)N4CCC[C@@]34C2=O)cc1 ZINC000012587408 570751871 /nfs/dbraw/zinc/75/18/71/570751871.db2.gz MOUJLSDDGSYNTB-JLMWRMLUSA-N 0 3 366.461 3.535 50 0 FHAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000017969006 570769131 /nfs/dbraw/zinc/76/91/31/570769131.db2.gz MVNVHGOJCFGFJL-QRVBRYPASA-N 0 3 368.408 3.694 50 0 FHAAHN COc1ccc([C@H](CNC(=O)Nc2cccc(OC)c2)N2CCCC2)cc1 ZINC000013048861 570772898 /nfs/dbraw/zinc/77/28/98/570772898.db2.gz SYHYSLUUHAGHAC-FQEVSTJZSA-N 0 3 369.465 3.662 50 0 FHAAHN COc1ccc(Cl)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000013755410 570789389 /nfs/dbraw/zinc/78/93/89/570789389.db2.gz ZRSRPVSEKJHSBU-UHFFFAOYSA-N 0 3 351.878 3.831 50 0 FHAAHN CCc1ccc([C@@H](CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1 ZINC000032735870 570790601 /nfs/dbraw/zinc/79/06/01/570790601.db2.gz GSQYEPVXLBLTDT-LJQANCHMSA-N 0 3 372.509 3.667 50 0 FHAAHN COc1cccc([C@@H](CNc2ncnc3sccc32)N2CCCC2)c1 ZINC000014123929 570807217 /nfs/dbraw/zinc/80/72/17/570807217.db2.gz MEJATGJKAUKNLS-QGZVFWFLSA-N 0 3 354.479 3.949 50 0 FHAAHN O=C(c1ccc2c(c1)OCCO2)C1CCN(CCc2ccccc2)CC1 ZINC000014159826 570809503 /nfs/dbraw/zinc/80/95/03/570809503.db2.gz VQGATWWQEZYOQA-UHFFFAOYSA-N 0 3 351.446 3.595 50 0 FHAAHN COCCN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000014948482 570826565 /nfs/dbraw/zinc/82/65/65/570826565.db2.gz SLASAGGDTKYIOD-UHFFFAOYSA-N 0 3 369.440 3.765 50 0 FHAAHN O=C(CCC1CCN(Cc2cc3ccccc3o2)CC1)NC[C@@H]1CCCO1 ZINC000014970773 570827440 /nfs/dbraw/zinc/82/74/40/570827440.db2.gz KNWWQCQBTQIVKH-IBGZPJMESA-N 0 3 370.493 3.720 50 0 FHAAHN CCOc1ccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)cc1CO ZINC000015075388 570831912 /nfs/dbraw/zinc/83/19/12/570831912.db2.gz XJWBYJYGRDTMLR-FQEVSTJZSA-N 0 3 358.457 3.793 50 0 FHAAHN O=C(CCC1CCN(Cc2cccnc2)CC1)N1CCc2ccccc2C1 ZINC000015073901 570831917 /nfs/dbraw/zinc/83/19/17/570831917.db2.gz SXNUWTMYXNNFQX-UHFFFAOYSA-N 0 3 363.505 3.659 50 0 FHAAHN COc1ccc2c(CN(C)CCOc3ccc(C)cc3)cc(=O)oc2c1 ZINC000015102642 570833739 /nfs/dbraw/zinc/83/37/39/570833739.db2.gz BQIZCIQDQPJXMI-UHFFFAOYSA-N 0 3 353.418 3.621 50 0 FHAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102732706 570837236 /nfs/dbraw/zinc/83/72/36/570837236.db2.gz PRSOMMYGWKCUOK-GUDVDZBRSA-N 0 3 350.418 3.555 50 0 FHAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000102732706 570837237 /nfs/dbraw/zinc/83/72/37/570837237.db2.gz PRSOMMYGWKCUOK-GUDVDZBRSA-N 0 3 350.418 3.555 50 0 FHAAHN CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC)CC1 ZINC000016602597 570858592 /nfs/dbraw/zinc/85/85/92/570858592.db2.gz GJFQGXKRVIUJSM-HNNXBMFYSA-N 0 3 359.297 3.751 50 0 FHAAHN CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000017076662 570868282 /nfs/dbraw/zinc/86/82/82/570868282.db2.gz JGLLOZCKSCBQQK-UHFFFAOYSA-N 0 3 374.506 3.872 50 0 FHAAHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1ccc(Cl)s1 ZINC000032929862 570870682 /nfs/dbraw/zinc/87/06/82/570870682.db2.gz SGLPJJGMFZBDSG-NWDGAFQWSA-N 0 3 371.911 3.582 50 0 FHAAHN Cc1c(CN[C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223529 570882557 /nfs/dbraw/zinc/88/25/57/570882557.db2.gz WTULLOBFZWSYCY-JOCHJYFZSA-N 0 3 354.542 3.681 50 0 FHAAHN c1ccc(COc2cccc(CN3CCC[C@H](N4CCOCC4)C3)c2)cc1 ZINC000019228066 570882933 /nfs/dbraw/zinc/88/29/33/570882933.db2.gz NWLGDFCTJBQHGK-QFIPXVFZSA-N 0 3 366.505 3.562 50 0 FHAAHN CCCc1ncc(CN[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cn1 ZINC000019225371 570883109 /nfs/dbraw/zinc/88/31/09/570883109.db2.gz ZUXMLVPDUQGOPO-IBGZPJMESA-N 0 3 358.917 3.837 50 0 FHAAHN OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CCN1C1CCCC1 ZINC000019299784 570885113 /nfs/dbraw/zinc/88/51/13/570885113.db2.gz QHHPXOHLNICYBF-LJQANCHMSA-N 0 3 371.550 3.621 50 0 FHAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@H]2CCSC2)CC1 ZINC000019535028 570892118 /nfs/dbraw/zinc/89/21/18/570892118.db2.gz JVSRYIVWHGKDBT-KRWDZBQOSA-N 0 3 363.523 3.606 50 0 FHAAHN Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)[C@H]([C@H](C)O)C1 ZINC000107163002 570894950 /nfs/dbraw/zinc/89/49/50/570894950.db2.gz GTAQULXVGFJRLU-UUOWRZLLSA-N 0 3 362.517 3.972 50 0 FHAAHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1C[C@@H](CO)CC[C@H]1C ZINC000108369572 570906199 /nfs/dbraw/zinc/90/61/99/570906199.db2.gz SMNCJFKVMSDQAT-KDOFPFPSSA-N 0 3 361.917 3.794 50 0 FHAAHN Cc1ncc2c(c1-c1noc(C3(c4ccc(Cl)cc4)CC3)n1)CCNC2 ZINC000020534690 570919115 /nfs/dbraw/zinc/91/91/15/570919115.db2.gz IHRVGYHCGOQOKK-UHFFFAOYSA-N 0 3 366.852 3.819 50 0 FHAAHN Cc1nn(-c2ncccn2)c2c1C(C(=O)c1ccc(Cl)cc1)CC(=O)N2 ZINC000020732105 570924415 /nfs/dbraw/zinc/92/44/15/570924415.db2.gz WVZDJOKRCNEJED-ZDUSSCGKSA-N 0 3 367.796 3.582 50 0 FHAAHN CCN1CCC(NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000047979781 570932830 /nfs/dbraw/zinc/93/28/30/570932830.db2.gz UFNVCLKIJMZPRZ-HNNXBMFYSA-N 0 3 353.919 3.660 50 0 FHAAHN COc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cn1 ZINC000048230735 570938596 /nfs/dbraw/zinc/93/85/96/570938596.db2.gz XUWQGVAEOVSKNH-INIZCTEOSA-N 0 3 374.510 3.746 50 0 FHAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](c1ccco1)N(C)C ZINC000022095674 570939842 /nfs/dbraw/zinc/93/98/42/570939842.db2.gz ALRDILRBXOZIIS-IBGZPJMESA-N 0 3 356.445 3.614 50 0 FHAAHN Cc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000022851193 570951241 /nfs/dbraw/zinc/95/12/41/570951241.db2.gz GRXLHLPILQGVCQ-HXUWFJFHSA-N 0 3 357.473 3.514 50 0 FHAAHN CC(C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)Cc1cccc2ccccc21 ZINC000058604546 570956084 /nfs/dbraw/zinc/95/60/84/570956084.db2.gz PTZARGUZLZXXRK-GQIGUUNPSA-N 0 3 373.518 3.838 50 0 FHAAHN Cc1ccc(-c2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)n[nH]2)s1 ZINC000024443911 570975864 /nfs/dbraw/zinc/97/58/64/570975864.db2.gz GNNZTHXLSRWFQW-SFHVURJKSA-N 0 3 366.490 3.576 50 0 FHAAHN 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CC(C)(CNC(=O)CCc1cccc(F)c1)N1CCc2ccccc2C1 ZINC000025463699 571147188 /nfs/dbraw/zinc/14/71/88/571147188.db2.gz KLKNGPHQXSWEHR-UHFFFAOYSA-N 0 3 354.469 3.711 50 0 FHAAHN CC(C)N1CCC(c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)CC1 ZINC000071278874 571160661 /nfs/dbraw/zinc/16/06/61/571160661.db2.gz XAGDRHKREMCBSN-FQEVSTJZSA-N 0 3 359.445 3.503 50 0 FHAAHN Cn1ccnc1[C@H]1c2nc[nH]c2CCN1Cc1ccccc1-c1ccccc1 ZINC000071661885 571163176 /nfs/dbraw/zinc/16/31/76/571163176.db2.gz BXELCASTFMVBNT-JOCHJYFZSA-N 0 3 369.472 3.958 50 0 FHAAHN CCCN1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c32)CC1 ZINC000015169246 571163977 /nfs/dbraw/zinc/16/39/77/571163977.db2.gz VBFGHXWMKNIYSC-UHFFFAOYSA-N 0 3 368.506 3.899 50 0 FHAAHN COc1ccc(F)c(-c2nc(CN3CC(N4CCCC[C@@H]4C)C3)c(C)o2)c1 ZINC000071746741 571164333 /nfs/dbraw/zinc/16/43/33/571164333.db2.gz ZVTUPVQNICPZKO-AWEZNQCLSA-N 0 3 373.472 3.856 50 0 FHAAHN CC(C)[C@H]1CN(CCc2ccccn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071749717 571164734 /nfs/dbraw/zinc/16/47/34/571164734.db2.gz 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/nfs/dbraw/zinc/21/14/57/571211457.db2.gz XJYNHZPBMIJQBD-UHFFFAOYSA-N 0 3 357.885 3.719 50 0 FHAAHN CC(C)Cc1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)on1 ZINC000077452284 571211980 /nfs/dbraw/zinc/21/19/80/571211980.db2.gz PVRHFFJCBDYUQR-UHFFFAOYSA-N 0 3 369.509 3.654 50 0 FHAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1cc(-c2ccccn2)no1 ZINC000077489125 571213436 /nfs/dbraw/zinc/21/34/36/571213436.db2.gz YQTTVUZSVSIMTJ-KRWDZBQOSA-N 0 3 351.454 3.686 50 0 FHAAHN COc1cc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)ccn1 ZINC000077540190 571215077 /nfs/dbraw/zinc/21/50/77/571215077.db2.gz UXJQPVRQZWOSTR-IBGZPJMESA-N 0 3 353.466 3.519 50 0 FHAAHN CN(C(=O)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1)[C@@H]1CCN(C)C1 ZINC000426412359 571221900 /nfs/dbraw/zinc/22/19/00/571221900.db2.gz INKHOYLJKSTRSR-OAQYLSRUSA-N 0 3 362.473 3.722 50 0 FHAAHN CCCn1ncc(CN2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)c1C ZINC000426420862 571222868 /nfs/dbraw/zinc/22/28/68/571222868.db2.gz XZEWJVWROCDWPH-PCCBWWKXSA-N 0 3 361.530 3.540 50 0 FHAAHN Cc1ccsc1CN(Cc1ccccn1)C(=O)NC[C@@]1(C)CCN(C)C1 ZINC000426470693 571226823 /nfs/dbraw/zinc/22/68/23/571226823.db2.gz PQMGGWKWFFFCGJ-HXUWFJFHSA-N 0 3 372.538 3.505 50 0 FHAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)NCCc2ccncc2)cc1 ZINC000426496982 571228457 /nfs/dbraw/zinc/22/84/57/571228457.db2.gz OISMWSLDYNLADW-NRFANRHFSA-N 0 3 366.509 3.623 50 0 FHAAHN C[C@@H](O)c1cccc(-c2cccc(C(=O)NCCN3CCCCC3)c2)c1 ZINC000426583888 571232474 /nfs/dbraw/zinc/23/24/74/571232474.db2.gz BCXOULHOKAYYDU-QGZVFWFLSA-N 0 3 352.478 3.623 50 0 FHAAHN CCC(=O)c1ccc(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)cc1 ZINC000426716124 571236428 /nfs/dbraw/zinc/23/64/28/571236428.db2.gz PUEVVAFTFUZEJQ-FQEVSTJZSA-N 0 3 350.462 3.722 50 0 FHAAHN O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccco2)C1 ZINC000091325870 571239060 /nfs/dbraw/zinc/23/90/60/571239060.db2.gz MZQKZVPKMQOYOC-HNNXBMFYSA-N 0 3 366.383 3.827 50 0 FHAAHN COc1ccc2ccccc2c1CN1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000091350529 571239270 /nfs/dbraw/zinc/23/92/70/571239270.db2.gz 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Cc1nccn1-c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000299786717 571199502 /nfs/dbraw/zinc/19/95/02/571199502.db2.gz POXKFQDUXKDFCP-UHFFFAOYSA-N 0 3 367.497 3.663 50 0 FHAAHN CSc1ccccc1NC(=O)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000299791998 571201083 /nfs/dbraw/zinc/20/10/83/571201083.db2.gz GKAMNGSEXYYTLX-INIZCTEOSA-N 0 3 363.527 3.517 50 0 FHAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)N(CCO)Cc2ccco2)c1 ZINC000299795397 571201920 /nfs/dbraw/zinc/20/19/20/571201920.db2.gz MAXUOWDZEDYEEQ-QGZVFWFLSA-N 0 3 371.481 3.680 50 0 FHAAHN CN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1)C1CCN(C)CC1 ZINC000534589060 571205652 /nfs/dbraw/zinc/20/56/52/571205652.db2.gz VPPNXGFHWMHTKU-IBGZPJMESA-N 0 3 372.900 3.560 50 0 FHAAHN O=C(NCc1ccccn1)c1ccc(-c2ccc(CN3CCCC3)cn2)cc1 ZINC000534653071 571207500 /nfs/dbraw/zinc/20/75/00/571207500.db2.gz BWDVASIYNIIPHB-UHFFFAOYSA-N 0 3 372.472 3.669 50 0 FHAAHN CCCCN1C[C@]2(CCCN(Cc3cnn(CCC)c3C)C2)CCC1=O ZINC000077406684 571210265 /nfs/dbraw/zinc/21/02/65/571210265.db2.gz 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571216870 /nfs/dbraw/zinc/21/68/70/571216870.db2.gz LREOXKQEBUWAJI-MRXNPFEDSA-N 0 3 363.383 3.591 50 0 FHAAHN Cc1ccc(CN(Cc2ccncc2)C(=O)NC[C@H]2CCCN(C)C2)s1 ZINC000426379727 571216940 /nfs/dbraw/zinc/21/69/40/571216940.db2.gz MZPAFYCAXRLDDC-GOSISDBHSA-N 0 3 372.538 3.505 50 0 FHAAHN O=C(c1cccc(-c2ccc(OC(F)F)cc2)c1)N1CCN2CCC[C@@H]2C1 ZINC000426438931 571225275 /nfs/dbraw/zinc/22/52/75/571225275.db2.gz SXCCCNDEXQFYFQ-GOSISDBHSA-N 0 3 372.415 3.875 50 0 FHAAHN O=C(NCCN1CCCCCC1)c1cccc(-c2ccc3[nH]cnc3c2)c1 ZINC000426527704 571230370 /nfs/dbraw/zinc/23/03/70/571230370.db2.gz GVNLATMAGJCRJV-UHFFFAOYSA-N 0 3 362.477 3.836 50 0 FHAAHN CN(CCN1CCCC1)C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000426574880 571232019 /nfs/dbraw/zinc/23/20/19/571232019.db2.gz JSEREJCEAJOFEZ-LJQANCHMSA-N 0 3 372.900 3.562 50 0 FHAAHN CC[C@H](O)c1ccc(-c2ccc(C(=O)NCCN3CCCC3)cc2)cc1 ZINC000426674344 571234767 /nfs/dbraw/zinc/23/47/67/571234767.db2.gz WGSCRGLGTPYPME-NRFANRHFSA-N 0 3 352.478 3.623 50 0 FHAAHN 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/nfs/dbraw/zinc/20/98/96/571209896.db2.gz VWEKCOLSOPFPND-GOSISDBHSA-N 0 3 355.482 3.933 50 0 FHAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccn2)cc1 ZINC000077536420 571214820 /nfs/dbraw/zinc/21/48/20/571214820.db2.gz NDTNWHPENCYAKR-NRFANRHFSA-N 0 3 351.494 3.830 50 0 FHAAHN CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)cn1 ZINC000077553454 571215281 /nfs/dbraw/zinc/21/52/81/571215281.db2.gz WDSYRRAXHKDKQT-FQEVSTJZSA-N 0 3 354.498 3.811 50 0 FHAAHN CN(C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1)[C@H]1CCN(C)C1 ZINC000426360457 571215300 /nfs/dbraw/zinc/21/53/00/571215300.db2.gz SIABLKGHNUOEJS-HNNXBMFYSA-N 0 3 363.383 3.544 50 0 FHAAHN COc1cccc(OCCCN2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)c1 ZINC000077566116 571215561 /nfs/dbraw/zinc/21/55/61/571215561.db2.gz MLIYFRGZRYONLO-JOCHJYFZSA-N 0 3 374.525 3.577 50 0 FHAAHN Cc1cccnc1CCNC(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000426379677 571216936 /nfs/dbraw/zinc/21/69/36/571216936.db2.gz IZUAPMRARCDQNR-OAQYLSRUSA-N 0 3 366.509 3.541 50 0 FHAAHN CO[C@]12CCN(Cc3ccc(F)cc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426444611 571225902 /nfs/dbraw/zinc/22/59/02/571225902.db2.gz OGPJMZHBJCAHTC-IRFCIJBXSA-N 0 3 356.441 3.812 50 0 FHAAHN CCOC(=O)c1cnc2ccc(Cl)cc2c1N(C)C1CCN(C)CC1 ZINC000004749812 571230852 /nfs/dbraw/zinc/23/08/52/571230852.db2.gz IMQWTXZEBIXHEV-UHFFFAOYSA-N 0 3 361.873 3.595 50 0 FHAAHN Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CN3CCCC3)cc2)nn1 ZINC000426575172 571232038 /nfs/dbraw/zinc/23/20/38/571232038.db2.gz WOVBFQSLWKGDAF-HXUWFJFHSA-N 0 3 364.493 3.543 50 0 FHAAHN CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)C1 ZINC000426582793 571232405 /nfs/dbraw/zinc/23/24/05/571232405.db2.gz INPNDPDTESAARW-MRXNPFEDSA-N 0 3 363.383 3.544 50 0 FHAAHN O=C1CC2(CN1Cc1ccc(F)c(F)c1)CCN(Cc1ccoc1)CC2 ZINC000091505260 571240272 /nfs/dbraw/zinc/24/02/72/571240272.db2.gz YASRPFLCPMIUMV-UHFFFAOYSA-N 0 3 360.404 3.573 50 0 FHAAHN COc1ccc(CN(C[C@H](O)COc2ccccc2C)C(C)C)cc1OC ZINC000036095798 571241092 /nfs/dbraw/zinc/24/10/92/571241092.db2.gz IFSAATIRBIJJOR-IBGZPJMESA-N 0 3 373.493 3.663 50 0 FHAAHN C[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[C@@]1(O)C1CC1 ZINC000091663090 571242042 /nfs/dbraw/zinc/24/20/42/571242042.db2.gz LXGDLTLFOUPLJZ-VLIAUNLRSA-N 0 3 357.885 3.780 50 0 FHAAHN CCN1CC2(CCC1=O)CCN(Cc1ccc3cc(F)ccc3n1)CC2 ZINC000091679202 571242273 /nfs/dbraw/zinc/24/22/73/571242273.db2.gz OUFYIVWHXSGVPP-UHFFFAOYSA-N 0 3 355.457 3.598 50 0 FHAAHN O=C(c1[nH]c2ccccc2c1Cl)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000091690741 571242308 /nfs/dbraw/zinc/24/23/08/571242308.db2.gz SKJZLSDHRXUHTG-HUUCEWRRSA-N 0 3 357.885 3.768 50 0 FHAAHN CCOc1ccccc1CN1CC[C@@H](c2nc3cccnc3n2CC)C1 ZINC000065285345 571260055 /nfs/dbraw/zinc/26/00/55/571260055.db2.gz YAPJWCBHOPLGKT-QGZVFWFLSA-N 0 3 350.466 3.839 50 0 FHAAHN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(CN2CCCC2)c1 ZINC000065553527 571264808 /nfs/dbraw/zinc/26/48/08/571264808.db2.gz YXBLTSUIPZWZIG-FQEVSTJZSA-N 0 3 363.505 3.539 50 0 FHAAHN CC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3cccc(C)c3)CC2)c1C ZINC000252484807 571280351 /nfs/dbraw/zinc/28/03/51/571280351.db2.gz GIFIPSYELVEVEN-QGZVFWFLSA-N 0 3 368.525 3.865 50 0 FHAAHN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000230511274 571309558 /nfs/dbraw/zinc/30/95/58/571309558.db2.gz WTYXXTOXSKLQCM-KRWDZBQOSA-N 0 3 365.452 3.755 50 0 FHAAHN COc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ccc1C ZINC000007941449 571322469 /nfs/dbraw/zinc/32/24/69/571322469.db2.gz QOSLMFLOQOIDBJ-UHFFFAOYSA-N 0 3 352.478 3.920 50 0 FHAAHN Cc1ccc(CNC(=O)NCC2CCN(Cc3ccccc3F)CC2)cc1 ZINC000013363921 571323280 /nfs/dbraw/zinc/32/32/80/571323280.db2.gz VGTXXTRWZPIDBT-UHFFFAOYSA-N 0 3 369.484 3.846 50 0 FHAAHN Cn1[nH]c(-c2ccccn2)c2nc(-c3cc(CN4CCCC4)cs3)nc1-2 ZINC000019641049 571326865 /nfs/dbraw/zinc/32/68/65/571326865.db2.gz HCGUDPADVCGCLE-UHFFFAOYSA-N 0 3 364.478 3.683 50 0 FHAAHN Cc1csc2nc(CN(Cc3ccc(F)cc3)CC(C)C)cc(=O)n12 ZINC000021102266 571332592 /nfs/dbraw/zinc/33/25/92/571332592.db2.gz MMTRTYDNICOFEB-UHFFFAOYSA-N 0 3 359.470 3.862 50 0 FHAAHN O=C(CSC1CCCC1)NCC1CCN(Cc2ccsc2)CC1 ZINC000096098349 571334278 /nfs/dbraw/zinc/33/42/78/571334278.db2.gz JYLRIKMNTQXEAA-UHFFFAOYSA-N 0 3 352.569 3.752 50 0 FHAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C1=O ZINC000230038136 571340584 /nfs/dbraw/zinc/34/05/84/571340584.db2.gz GDRZUJHCHDPAKO-XUVXKRRUSA-N 0 3 374.396 3.639 50 0 FHAAHN Cc1cc([C@@H]2CCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000057154924 571342403 /nfs/dbraw/zinc/34/24/03/571342403.db2.gz MLWJYMKFAJQRJS-ICSRJNTNSA-N 0 3 353.466 3.559 50 0 FHAAHN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000057679520 571345105 /nfs/dbraw/zinc/34/51/05/571345105.db2.gz GQCDOMQAWPVHTN-QWHCGFSZSA-N 0 3 351.878 3.538 50 0 FHAAHN CCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 ZINC000003179654 571345231 /nfs/dbraw/zinc/34/52/31/571345231.db2.gz UDJCJDFCXCKPIX-TZIWHRDSSA-N 0 3 350.462 3.842 50 0 FHAAHN C[C@@H]1CCC[C@H](C)N1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003189758 571345345 /nfs/dbraw/zinc/34/53/45/571345345.db2.gz STTINUWGALUHJH-OKILXGFUSA-N 0 3 358.935 3.660 50 0 FHAAHN CCc1ccc([C@@H](N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000057838684 571345585 /nfs/dbraw/zinc/34/55/85/571345585.db2.gz RSKSEBOYFLXSNO-BEFAXECRSA-N 0 3 356.514 3.913 50 0 FHAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccccc1 ZINC000004058620 571354605 /nfs/dbraw/zinc/35/46/05/571354605.db2.gz CYJZXMHOXJBFQQ-UHFFFAOYSA-N 0 3 359.429 3.863 50 0 aggregator FHAAHN Cc1ccc(-c2cccc(CN3CCC([C@@H](O)c4nccn4C)CC3)c2)o1 ZINC000670457023 571354930 /nfs/dbraw/zinc/35/49/30/571354930.db2.gz YHSOVQAEPMYNNL-OAQYLSRUSA-N 0 3 365.477 3.934 50 0 FHAAHN CO[C@@H]1C(=O)N(c2cccc(F)c2)C12CCN(Cc1sccc1C)CC2 ZINC000257176655 942778878 /nfs/dbraw/zinc/77/88/78/942778878.db2.gz CVWDIYPVVCYRGJ-GOSISDBHSA-N 0 3 374.481 3.592 50 0 FHAAHN CCn1nc(C)c(CN2CCC(CCc3noc(C4CC4)n3)CC2)c1C ZINC000675019285 943627425 /nfs/dbraw/zinc/62/74/25/943627425.db2.gz LTLOBCVGBRKNHT-UHFFFAOYSA-N 0 3 357.502 3.625 50 0 FHAAHN O=C(NC1(c2ccccc2C(F)(F)F)CC1)c1cc2c(s1)CCNC2 ZINC000888101788 948444979 /nfs/dbraw/zinc/44/49/79/948444979.db2.gz OFDVXXLYOQUZIA-UHFFFAOYSA-N 0 3 366.408 3.832 50 0 FHAAHN CCCn1nc(CNCCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261492209 210007427 /nfs/dbraw/zinc/00/74/27/210007427.db2.gz VLRVFIHFSUKARQ-UHFFFAOYSA-N 0 3 360.465 3.564 50 0 FHAAHN COc1cc(CN2CCC(NC(=O)c3ccccc3C)CC2)ccc1C ZINC000252492590 209934500 /nfs/dbraw/zinc/93/45/00/209934500.db2.gz MPYMTWGLGITGGT-UHFFFAOYSA-N 0 3 352.478 3.706 50 0 FHAAHN COc1ccc(CN(C(=O)c2ccco2)[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000002263308 209394964 /nfs/dbraw/zinc/39/49/64/209394964.db2.gz SUTXCIMFRCHMFF-JTDSTZFVSA-N 0 3 356.466 3.659 50 0 FHAAHN CCC(CC)n1nccc1NC(=O)NC[C@@H]1CCCN(Cc2ccco2)C1 ZINC000097619242 209190108 /nfs/dbraw/zinc/19/01/08/209190108.db2.gz MCNFHNHWJCFDHL-INIZCTEOSA-N 0 3 373.501 3.871 50 0 FHAAHN CC1(C)Cc2cc(CN3CCC([C@@H](O)c4ccccn4)CC3)ccc2O1 ZINC000097514200 209184691 /nfs/dbraw/zinc/18/46/91/209184691.db2.gz RTKQLTPNESRPNC-OAQYLSRUSA-N 0 3 352.478 3.741 50 0 FHAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@]2(CCCO2)CC1 ZINC000097475532 209183115 /nfs/dbraw/zinc/18/31/15/209183115.db2.gz VFFAVQWSJDVWNN-QFIPXVFZSA-N 0 3 356.510 3.848 50 0 FHAAHN CN(C)C[C@@H](NC(=O)/C=C\c1ccccc1Br)c1ccccc1 ZINC000096920599 209161768 /nfs/dbraw/zinc/16/17/68/209161768.db2.gz KHESUSIHAZUBKU-MENFKHAKSA-N 0 3 373.294 3.881 50 0 FHAAHN COCCN(C(=O)Nc1ccccc1SC(C)C)C1CCN(C)CC1 ZINC000096140974 209121091 /nfs/dbraw/zinc/12/10/91/209121091.db2.gz SKBIUHIYDCSPOB-UHFFFAOYSA-N 0 3 365.543 3.762 50 0 FHAAHN COCc1ccc(C(=O)NC[C@@H](c2ccccc2C)N2CCC(C)CC2)o1 ZINC000096141039 209121099 /nfs/dbraw/zinc/12/10/99/209121099.db2.gz BDWCJFQGCXEEPP-FQEVSTJZSA-N 0 3 370.493 3.937 50 0 FHAAHN CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCN(C)C)c23)CO1 ZINC000002414056 206914446 /nfs/dbraw/zinc/91/44/46/206914446.db2.gz XWAXCWGQTKUVOV-QGZVFWFLSA-N 0 3 366.556 3.628 50 0 FHAAHN O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000004247822 207010045 /nfs/dbraw/zinc/01/00/45/207010045.db2.gz ACHQJZRFPALDEI-IBGZPJMESA-N 0 3 373.880 3.797 50 0 FHAAHN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccn2)no1 ZINC000005267732 207089825 /nfs/dbraw/zinc/08/98/25/207089825.db2.gz GPUKJSPEGPDXSG-SFHVURJKSA-N 0 3 373.368 3.543 50 0 FHAAHN O[C@@H](CNC[C@H]1CC1(Cl)Cl)COc1ccc(-c2ccccc2)cc1 ZINC000006085915 207129503 /nfs/dbraw/zinc/12/95/03/207129503.db2.gz AJPQLHOKRRLUMH-SJORKVTESA-N 0 3 366.288 3.877 50 0 FHAAHN O=C(CN[C@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000006476200 207142480 /nfs/dbraw/zinc/14/24/80/207142480.db2.gz WVLIKYMRAWIJMG-HNNXBMFYSA-N 0 3 360.360 3.614 50 0 FHAAHN CCN(CC)c1ccc2cc(C(=O)NCc3cccs3)c(=N)oc2c1 ZINC000006517583 207143497 /nfs/dbraw/zinc/14/34/97/207143497.db2.gz FXCOODUULLMVMV-UHFFFAOYSA-N 0 3 355.463 3.750 50 0 FHAAHN Cc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)NCCN(C)C)cc12 ZINC000006913385 207177110 /nfs/dbraw/zinc/17/71/10/207177110.db2.gz CJJCMLHQNIALHO-UHFFFAOYSA-N 0 3 367.468 3.737 50 0 FHAAHN CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CCN(C)CC1 ZINC000006936158 207178918 /nfs/dbraw/zinc/17/89/18/207178918.db2.gz BWOUGFHYOSCTRB-HXUWFJFHSA-N 0 3 355.457 3.532 50 0 FHAAHN COc1ccc([C@@H](CNc2ccc(C(F)(F)F)cn2)N(C)C)cc1OC ZINC000007813820 207208130 /nfs/dbraw/zinc/20/81/30/207208130.db2.gz BQPBBRXIRIRPQJ-CQSZACIVSA-N 0 3 369.387 3.832 50 0 FHAAHN CCCOc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000010450904 207301067 /nfs/dbraw/zinc/30/10/67/207301067.db2.gz QFCOIEXGEWGBBL-UHFFFAOYSA-N 0 3 352.478 3.870 50 0 FHAAHN COCCNCc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475324 207302067 /nfs/dbraw/zinc/30/20/67/207302067.db2.gz PRENGSNNDCPYFX-UHFFFAOYSA-N 0 3 350.256 3.764 50 0 FHAAHN C[C@H]1CCCCN1Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000011783170 207321779 /nfs/dbraw/zinc/32/17/79/207321779.db2.gz UGDWZTDZFLLEBM-INIZCTEOSA-N 0 3 365.452 3.958 50 0 FHAAHN Cc1cc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c(C)o1 ZINC000011665198 207316044 /nfs/dbraw/zinc/31/60/44/207316044.db2.gz PEYCIPQFMWJZPZ-HXUWFJFHSA-N 0 3 367.493 3.666 50 0 FHAAHN O=C(CC(F)(F)F)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012050222 207335118 /nfs/dbraw/zinc/33/51/18/207335118.db2.gz NDDBLPNEMRZYRG-KRWDZBQOSA-N 0 3 358.379 3.593 50 0 FHAAHN O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccc(F)cc1Cl ZINC000012020449 207334611 /nfs/dbraw/zinc/33/46/11/207334611.db2.gz XZUCHPAUQCAKQX-QGZVFWFLSA-N 0 3 372.871 3.841 50 0 FHAAHN COc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)o1 ZINC000012056956 207336064 /nfs/dbraw/zinc/33/60/64/207336064.db2.gz NVUHJQNVKJEPQU-NRFANRHFSA-N 0 3 372.440 3.556 50 0 FHAAHN Cc1ccc2c(c1)CN(CCC(=O)NCc1cccc(F)c1F)C[C@H](C)O2 ZINC000012099647 207338242 /nfs/dbraw/zinc/33/82/42/207338242.db2.gz HHOBDSKLYXMJKR-HNNXBMFYSA-N 0 3 374.431 3.563 50 0 FHAAHN CCN(CCO)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000012431048 207373865 /nfs/dbraw/zinc/37/38/65/207373865.db2.gz FCGOTWWIPRQYSX-UHFFFAOYSA-N 0 3 369.440 3.501 50 0 FHAAHN CN(C)C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000032781217 208043608 /nfs/dbraw/zinc/04/36/08/208043608.db2.gz LKEGZUFQWJDSKF-KRWDZBQOSA-N 0 3 350.384 3.667 50 0 FHAAHN Cc1ccc(C2=NC3(CCN(Cc4cc(C)ccc4C)CC3)NC2=O)cc1 ZINC000035430978 208123950 /nfs/dbraw/zinc/12/39/50/208123950.db2.gz IOTWWVVAIPDGON-UHFFFAOYSA-N 0 3 361.489 3.523 50 0 FHAAHN CC[C@@](C)(NCCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622221 208132745 /nfs/dbraw/zinc/13/27/45/208132745.db2.gz NGFPVSVNMFCUFL-LJQANCHMSA-N 0 3 355.873 3.773 50 0 FHAAHN COc1cc(CN(CCC(C)C)C[C@@H](O)COC(C)(C)C)cc(OC)c1 ZINC000036095153 208144427 /nfs/dbraw/zinc/14/44/27/208144427.db2.gz NAPLIUOWMBXBJJ-GOSISDBHSA-N 0 3 367.530 3.728 50 0 FHAAHN CCCC(=O)OC[C@H](O)CN(Cc1ccc(C)cc1)Cc1ccc(F)cc1 ZINC000036101997 208145047 /nfs/dbraw/zinc/14/50/47/208145047.db2.gz WKVFMLMOFGBRQT-OAQYLSRUSA-N 0 3 373.468 3.841 50 0 FHAAHN CC[C@@H](C)N(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036095807 208146779 /nfs/dbraw/zinc/14/67/79/208146779.db2.gz MMDIQKGWVFTHLD-MJGOQNOKSA-N 0 3 373.493 3.744 50 0 FHAAHN CC(=O)c1cc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039551020 208211510 /nfs/dbraw/zinc/21/15/10/208211510.db2.gz DBLOIYKCZFAVBN-LJQANCHMSA-N 0 3 354.519 3.672 50 0 FHAAHN CCCCc1nnc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000040158607 208240303 /nfs/dbraw/zinc/24/03/03/208240303.db2.gz AKWRWNNBEPEECV-INIZCTEOSA-N 0 3 358.511 3.731 50 0 FHAAHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1c(F)cccc1Cl ZINC000040722433 208262548 /nfs/dbraw/zinc/26/25/48/208262548.db2.gz XFJSCKKPGIPLPB-AWEZNQCLSA-N 0 3 367.848 3.927 50 0 FHAAHN CCOc1cc(CNC2CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040737979 208265968 /nfs/dbraw/zinc/26/59/68/208265968.db2.gz QTOGCLRPJVMODE-UHFFFAOYSA-N 0 3 354.450 3.663 50 0 FHAAHN CCOc1cc(CNC[C@@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000040744007 208268734 /nfs/dbraw/zinc/26/87/34/208268734.db2.gz WKSSBIMPTQWRHW-CYBMUJFWSA-N 0 3 367.848 3.927 50 0 FHAAHN CN(C)c1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044082295 208310631 /nfs/dbraw/zinc/31/06/31/208310631.db2.gz BXRKZSYDNBALCV-UHFFFAOYSA-N 0 3 352.482 3.539 50 0 FHAAHN Brc1ccc2c(ccc(OC3CNC3)c2Br)c1 ZINC000042769551 208296689 /nfs/dbraw/zinc/29/66/89/208296689.db2.gz BGGSBCLNPCJKGD-UHFFFAOYSA-N 0 3 357.045 3.715 50 0 FHAAHN Cc1ccccc1CN1CCC(NC(=O)NCc2cccc(F)c2)CC1 ZINC000045593791 208336058 /nfs/dbraw/zinc/33/60/58/208336058.db2.gz ZLGJFKNPVXQDKP-UHFFFAOYSA-N 0 3 355.457 3.598 50 0 FHAAHN CCOc1cccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000044919785 208322264 /nfs/dbraw/zinc/32/22/64/208322264.db2.gz ADSOSEODZGDIPX-UHFFFAOYSA-N 0 3 366.505 3.922 50 0 FHAAHN CSc1cccc(CN2CCC(n3cc(-c4cccnc4)nn3)CC2)c1 ZINC000048194506 208390290 /nfs/dbraw/zinc/39/02/90/208390290.db2.gz MRYJUSLYKKWHSO-UHFFFAOYSA-N 0 3 365.506 3.899 50 0 FHAAHN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)[C@H](C)C2CC2)c1 ZINC000048287736 208396066 /nfs/dbraw/zinc/39/60/66/208396066.db2.gz XBVRVWDZSKMZDI-MRXNPFEDSA-N 0 3 365.477 3.916 50 0 FHAAHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000048331721 208399739 /nfs/dbraw/zinc/39/97/39/208399739.db2.gz 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CC(C)(C)c1ccc2oc(CN[C@@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000082093079 571227854 /nfs/dbraw/zinc/22/78/54/571227854.db2.gz YYTDDOHZALOPND-MRXNPFEDSA-N 0 3 358.482 3.943 50 0 FHAAHN Cc1ccc([C@@H](C)CCN2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082092755 571227949 /nfs/dbraw/zinc/22/79/49/571227949.db2.gz HSBIQLJNUTYFIV-HNNXBMFYSA-N 0 3 353.466 3.980 50 0 FHAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3nc4ccccc4[nH]3)cc1)C2 ZINC000426508145 571229094 /nfs/dbraw/zinc/22/90/94/571229094.db2.gz UJRINCAVRNAEPK-QHCPKHFHSA-N 0 3 374.488 3.788 50 0 FHAAHN COc1ccc(/C=C/CN2CCC3(CC2)Nc2ccccc2NC3=O)cc1 ZINC000082138448 571229149 /nfs/dbraw/zinc/22/91/49/571229149.db2.gz IXDZVMSZQUYDRH-SNAWJCMRSA-N 0 3 363.461 3.607 50 0 FHAAHN C[C@H]1CCCCN1C1CN(C(=O)c2cccc(CN3CCCCCC3)c2)C1 ZINC000426513502 571229419 /nfs/dbraw/zinc/22/94/19/571229419.db2.gz BTUZXVMTDDREDZ-IBGZPJMESA-N 0 3 369.553 3.761 50 0 FHAAHN COc1cccc(-c2ccc(C(=O)N3CCC[C@@]4(CCN(C)C4)C3)cc2)c1 ZINC000426604512 571233129 /nfs/dbraw/zinc/23/31/29/571233129.db2.gz 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Fc1c(Cl)cccc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000091562930 571240498 /nfs/dbraw/zinc/24/04/98/571240498.db2.gz WSHMJYGTBVIKHF-MAUKXSAKSA-N 0 3 359.876 3.971 50 0 FHAAHN COc1ccc2ccccc2c1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000170091592 571262338 /nfs/dbraw/zinc/26/23/38/571262338.db2.gz VOYPJFCQBFFSOG-FQEVSTJZSA-N 0 3 351.450 3.517 50 0 FHAAHN Cc1noc(C)c1CN1CCC[C@@](C)(c2nc(-c3ccccc3)no2)C1 ZINC000075876549 571272470 /nfs/dbraw/zinc/27/24/70/571272470.db2.gz OPWBNEGYMKTRBO-HXUWFJFHSA-N 0 3 352.438 3.895 50 0 FHAAHN CCC[NH+](CCC)CCCNC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC000048534014 571308725 /nfs/dbraw/zinc/30/87/25/571308725.db2.gz LDRNEKWLJPMKLY-UHFFFAOYSA-N 0 3 363.889 3.836 50 0 FHAAHN O=C(c1cccc(-c2ccc(-c3cnco3)s2)c1)N1CCCNCC1 ZINC000584890646 571314512 /nfs/dbraw/zinc/31/45/12/571314512.db2.gz KVUHFJWAFSAAEM-UHFFFAOYSA-N 0 3 353.447 3.506 50 0 FHAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C)nc3ccccc32)cc1 ZINC000584892955 571314993 /nfs/dbraw/zinc/31/49/93/571314993.db2.gz 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360.933 3.951 50 0 FHAAHN Cc1ccc(C)c(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000229699299 571095053 /nfs/dbraw/zinc/09/50/53/571095053.db2.gz FIADSBCDYZIZEL-NOCIGQNYSA-N 0 3 365.539 3.548 50 0 FHAAHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CCCc3occc32)c1 ZINC000119383419 571101096 /nfs/dbraw/zinc/10/10/96/571101096.db2.gz PLXJDOLCQKRJOQ-XJKSGUPXSA-N 0 3 358.438 3.681 50 0 FHAAHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000241587996 571110257 /nfs/dbraw/zinc/11/02/57/571110257.db2.gz OYVLFTCKRNKNFW-CVEARBPZSA-N 0 3 361.461 3.848 50 0 FHAAHN CN(CCCOc1ccc(F)cc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055041973 571115330 /nfs/dbraw/zinc/11/53/30/571115330.db2.gz ALCWJUJKXQIPOD-UHFFFAOYSA-N 0 3 358.388 3.707 50 0 FHAAHN CN1CCN(C)[C@H](CC(=O)N(CCC2=CCCCC2)Cc2ccccc2)C1 ZINC000244874907 571118802 /nfs/dbraw/zinc/11/88/02/571118802.db2.gz XJKOAXFJISZWBR-JOCHJYFZSA-N 0 3 369.553 3.542 50 0 FHAAHN CCOc1cc(CNCCSc2c[nH]nn2)c(Cl)cc1OC(C)C ZINC000055343047 571119584 /nfs/dbraw/zinc/11/95/84/571119584.db2.gz USYIENFFTUEMTB-UHFFFAOYSA-N 0 3 370.906 3.526 50 0 FHAAHN CCOc1cc(CNCCSc2cn[nH]n2)c(Cl)cc1OC(C)C ZINC000055343047 571119585 /nfs/dbraw/zinc/11/95/85/571119585.db2.gz USYIENFFTUEMTB-UHFFFAOYSA-N 0 3 370.906 3.526 50 0 FHAAHN CCOCCCNCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248120125 571127841 /nfs/dbraw/zinc/12/78/41/571127841.db2.gz UVPBMKZIDBKOHX-UHFFFAOYSA-N 0 3 364.493 3.818 50 0 FHAAHN FC(F)n1ccnc1CN1CCN([C@@H]2CCCCc3ccccc32)CC1 ZINC000086230362 571128701 /nfs/dbraw/zinc/12/87/01/571128701.db2.gz GRPGPWNSIUXUMO-GOSISDBHSA-N 0 3 360.452 3.864 50 0 FHAAHN O=C(NC1CC1)[C@H](NCCCCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012855024 571129382 /nfs/dbraw/zinc/12/93/82/571129382.db2.gz ZXOKBIHOVBAVQN-HXUWFJFHSA-N 0 3 374.431 3.733 50 0 FHAAHN CCN(CCN1CCCCCC1)C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000252482921 571131848 /nfs/dbraw/zinc/13/18/48/571131848.db2.gz DQHFXVSRONUVSS-HNNXBMFYSA-N 0 3 370.896 3.971 50 0 FHAAHN CN(Cc1ccccc1)C[C@H]1OC(C)(C)O[C@@H]1CN(C)Cc1ccccc1 ZINC000252500451 571133268 /nfs/dbraw/zinc/13/32/68/571133268.db2.gz SVXWEYMZCNCRQT-FGZHOGPDSA-N 0 3 368.521 3.771 50 0 FHAAHN CN(Cc1cncn1C1CCCCC1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000252495518 571133396 /nfs/dbraw/zinc/13/33/96/571133396.db2.gz ORZJRSZAGBSSEI-KRWDZBQOSA-N 0 3 358.530 3.611 50 0 FHAAHN CC(C)OCCCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000253376280 571135450 /nfs/dbraw/zinc/13/54/50/571135450.db2.gz SPFZMCUTXNEZMP-UHFFFAOYSA-N 0 3 364.493 3.898 50 0 FHAAHN CC[C@@H](CO)NCc1cc(Br)c(OC2CCCC2)c(OC)c1 ZINC000004657698 571155157 /nfs/dbraw/zinc/15/51/57/571155157.db2.gz BPWPQFZFHUZYKO-ZDUSSCGKSA-N 0 3 372.303 3.640 50 0 FHAAHN NC(=O)C1(CNCc2ccc(-c3nc4ccccc4s3)o2)CCCC1 ZINC000075092242 571153845 /nfs/dbraw/zinc/15/38/45/571153845.db2.gz OKGGUJWYMFMBHL-UHFFFAOYSA-N 0 3 355.463 3.692 50 0 FHAAHN CCC(CC)c1cc(C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)on1 ZINC000075107355 571155322 /nfs/dbraw/zinc/15/53/22/571155322.db2.gz NCLFMCVLRKMYNL-OALUTQOASA-N 0 3 367.493 3.782 50 0 FHAAHN CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cn(C)c2ccccc12 ZINC000075149180 571156945 /nfs/dbraw/zinc/15/69/45/571156945.db2.gz FKOUPLXUYHTENY-OAHLLOKOSA-N 0 3 361.898 3.926 50 0 FHAAHN Cc1cccc(CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430987 571170058 /nfs/dbraw/zinc/17/00/58/571170058.db2.gz USXWHRMQKLQHOV-UHFFFAOYSA-N 0 3 361.489 3.523 50 0 FHAAHN CN(Cc1cc2n(n1)CCCNC2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072124024 571170413 /nfs/dbraw/zinc/17/04/13/571170413.db2.gz YXFOTOSFDKFPIE-UHFFFAOYSA-N 0 3 362.477 3.801 50 0 FHAAHN Cc1cccc(CN2CCN(Cc3cnc(CC4CCCC4)[nH]3)CC2)c1 ZINC000072146743 571173749 /nfs/dbraw/zinc/17/37/49/571173749.db2.gz DCHRIMWNDRYWGJ-UHFFFAOYSA-N 0 3 352.526 3.769 50 0 FHAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000072150787 571174471 /nfs/dbraw/zinc/17/44/71/571174471.db2.gz BYYXFLUMIAYUML-OAQYLSRUSA-N 0 3 365.521 3.525 50 0 FHAAHN CSc1ncc(CN2CCC[C@@H](c3nc4cccc(C)c4[nH]3)C2)cn1 ZINC000072162958 571175940 /nfs/dbraw/zinc/17/59/40/571175940.db2.gz RFEIDMKRVIMAPZ-OAHLLOKOSA-N 0 3 353.495 3.763 50 0 FHAAHN Cc1ccc(-c2cc(CN3CCCC[C@@H]3CCN3CCOCC3)on2)cc1 ZINC000072167638 571177132 /nfs/dbraw/zinc/17/71/32/571177132.db2.gz UXAAKQHZYYMRCN-HXUWFJFHSA-N 0 3 369.509 3.727 50 0 FHAAHN CSc1nccc(N2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)n1 ZINC000072173943 571177667 /nfs/dbraw/zinc/17/76/67/571177667.db2.gz DWHFNOGNZKEOAD-NRFANRHFSA-N 0 3 368.550 3.999 50 0 FHAAHN CCN(Cc1ccncc1)[C@H]1CCCN(c2noc(-c3ccccc3)n2)C1 ZINC000072172500 571177801 /nfs/dbraw/zinc/17/78/01/571177801.db2.gz KMVKJOZLCATPPK-IBGZPJMESA-N 0 3 363.465 3.623 50 0 FHAAHN Cc1nc(C(=O)N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(C)o1 ZINC000072423538 571193862 /nfs/dbraw/zinc/19/38/62/571193862.db2.gz YUOWIQAMVRVXBR-QFIPXVFZSA-N 0 3 367.493 3.810 50 0 FHAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN(C)CCCO ZINC000072424136 571193974 /nfs/dbraw/zinc/19/39/74/571193974.db2.gz IWXDWWWXHVVOTF-UHFFFAOYSA-N 0 3 371.431 3.940 50 0 FHAAHN Fc1ccc(CN2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000072425303 571194293 /nfs/dbraw/zinc/19/42/93/571194293.db2.gz FKSXZCPKPBRWIY-UHFFFAOYSA-N 0 3 364.468 3.719 50 0 FHAAHN CCN1C[C@@]2(CCCN(CCCC(=O)c3ccc(F)cc3)C2)CCC1=O ZINC000072440813 571196757 /nfs/dbraw/zinc/19/67/57/571196757.db2.gz RKLVQPUNIXJUAV-NRFANRHFSA-N 0 3 360.473 3.513 50 0 FHAAHN Cc1ccc(-c2ncc(CN3CCC[C@H](Cn4ccnn4)C3)s2)cc1 ZINC000092070957 571198108 /nfs/dbraw/zinc/19/81/08/571198108.db2.gz GQPFPUUCNVGLBL-INIZCTEOSA-N 0 3 353.495 3.622 50 0 FHAAHN O=C1CC[C@H]2CN(Cc3cccc(O)c3)CC[C@H]2N1CCc1cccs1 ZINC000072473915 571198707 /nfs/dbraw/zinc/19/87/07/571198707.db2.gz ZNTFMCNSHIYZME-FXAWDEMLSA-N 0 3 370.518 3.509 50 0 FHAAHN Oc1ccc(-c2ccccc2)cc1-n1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072474407 571198928 /nfs/dbraw/zinc/19/89/28/571198928.db2.gz IZVAYWZWEUYETK-UHFFFAOYSA-N 0 3 371.444 3.602 50 0 FHAAHN c1nc(C2CCCCC2)ncc1CN1CCCC[C@H]1CCN1CCOCC1 ZINC000077340515 571208083 /nfs/dbraw/zinc/20/80/83/571208083.db2.gz UWJOKDXYMXYBRU-NRFANRHFSA-N 0 3 372.557 3.601 50 0 FHAAHN COCc1c(C)onc1C(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000077353564 571208497 /nfs/dbraw/zinc/20/84/97/571208497.db2.gz CTSYFBYRECSWBX-IBGZPJMESA-N 0 3 371.481 3.558 50 0 FHAAHN CCn1nc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)cc1C ZINC000077424530 571211219 /nfs/dbraw/zinc/21/12/19/571211219.db2.gz KDDRXPUKHZKZOG-FQEVSTJZSA-N 0 3 354.498 3.640 50 0 FHAAHN CSc1ccccc1CN1C[C@@H](c2ccc(C)cc2)[C@H](NC(C)=O)C1 ZINC000077440742 571211901 /nfs/dbraw/zinc/21/19/01/571211901.db2.gz SFODCVNEVOEFIX-VQTJNVASSA-N 0 3 354.519 3.821 50 0 FHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(O)c2)cc1 ZINC000077485692 571213078 /nfs/dbraw/zinc/21/30/78/571213078.db2.gz ORAHAFHNADBQSV-OAQYLSRUSA-N 0 3 352.478 3.750 50 0 FHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccncc2)cc1 ZINC000077537678 571214883 /nfs/dbraw/zinc/21/48/83/571214883.db2.gz PBMDIBREMRDTTM-OAQYLSRUSA-N 0 3 351.494 3.830 50 0 FHAAHN COc1cc(C)c(-c2cccc(C(=O)N(C)[C@@H]3CCN(C)C3)c2)cc1C ZINC000426438758 571225320 /nfs/dbraw/zinc/22/53/20/571225320.db2.gz BVVGMJVMAHEETL-LJQANCHMSA-N 0 3 352.478 3.755 50 0 FHAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnn(-c4ccc(C)c(C)c4)c3)[C@H]2C1 ZINC000426442462 571225465 /nfs/dbraw/zinc/22/54/65/571225465.db2.gz ASJZARXRJJQPLP-FDFHNCONSA-N 0 3 369.509 3.648 50 0 FHAAHN O=C(c1ccc(-c2ccncc2F)cc1)N1CCCN(C2CCCC2)CC1 ZINC000426485556 571227782 /nfs/dbraw/zinc/22/77/82/571227782.db2.gz CEEXWWZXTTVJLJ-UHFFFAOYSA-N 0 3 367.468 3.978 50 0 FHAAHN Cc1ccc([C@H](C)CCN2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082092758 571227858 /nfs/dbraw/zinc/22/78/58/571227858.db2.gz HSBIQLJNUTYFIV-OAHLLOKOSA-N 0 3 353.466 3.980 50 0 FHAAHN COc1ccc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c(C)c1C ZINC000082099043 571228083 /nfs/dbraw/zinc/22/80/83/571228083.db2.gz JQLPGACQRZGDEK-UHFFFAOYSA-N 0 3 365.477 3.711 50 0 FHAAHN CCC(=O)c1cccc(-c2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)c1 ZINC000426496821 571228502 /nfs/dbraw/zinc/22/85/02/571228502.db2.gz GQYJBDAWRVDOLC-OAQYLSRUSA-N 0 3 362.473 3.867 50 0 FHAAHN Cc1cccc(Oc2ccc3c(cc(C(=O)NCCN(C)C)n3C)c2)c1 ZINC000004749240 571230870 /nfs/dbraw/zinc/23/08/70/571230870.db2.gz GAFICYAKUWYCMO-UHFFFAOYSA-N 0 3 351.450 3.570 50 0 FHAAHN Nc1ccncc1-c1ccc(C(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1 ZINC000426667145 571234627 /nfs/dbraw/zinc/23/46/27/571234627.db2.gz UBPJYZCRYYUDKI-LJQANCHMSA-N 0 3 365.477 3.582 50 0 FHAAHN CN(C)[C@H]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)nc3)c2)C1 ZINC000426683808 571235033 /nfs/dbraw/zinc/23/50/33/571235033.db2.gz LZEVLNYMHPRIHZ-INIZCTEOSA-N 0 3 363.383 3.544 50 0 FHAAHN Cc1ccsc1CN1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000091459806 571239893 /nfs/dbraw/zinc/23/98/93/571239893.db2.gz ISDQKJJLRJSDST-UHFFFAOYSA-N 0 3 373.522 3.676 50 0 FHAAHN COCCN(Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1C ZINC000036097352 571240993 /nfs/dbraw/zinc/24/09/93/571240993.db2.gz MZCIBXFJFZZNEY-OAQYLSRUSA-N 0 3 357.494 3.500 50 0 FHAAHN COc1cccc(CN(Cc2ccccc2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098294 571241068 /nfs/dbraw/zinc/24/10/68/571241068.db2.gz UIJCETSVHMEHOB-HXUWFJFHSA-N 0 3 357.494 3.873 50 0 FHAAHN COc1cccc(CN(CC(C)C)C[C@@H](O)COc2ccccc2)c1OC ZINC000036097042 571241150 /nfs/dbraw/zinc/24/11/50/571241150.db2.gz WOJMBQGSYCWDPS-LJQANCHMSA-N 0 3 373.493 3.602 50 0 FHAAHN Cc1ccc(-c2cc(CN3CC[C@]4(C3)CCCN(C(C)C)C4=O)on2)cc1 ZINC000091617058 571241232 /nfs/dbraw/zinc/24/12/32/571241232.db2.gz WMVQHWDTUIMGHI-QFIPXVFZSA-N 0 3 367.493 3.873 50 0 FHAAHN CCCC(=O)OC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102537 571241868 /nfs/dbraw/zinc/24/18/68/571241868.db2.gz PPWMMQZVXJQTRT-FQEVSTJZSA-N 0 3 359.441 3.532 50 0 FHAAHN CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 ZINC000006934684 571255194 /nfs/dbraw/zinc/25/51/94/571255194.db2.gz BNSDOIQSEDKUGI-NHCUHLMSSA-N 0 3 354.494 3.998 50 0 FHAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016400 571257393 /nfs/dbraw/zinc/25/73/93/571257393.db2.gz CDMPLPWGPGXJHD-IBGZPJMESA-N 0 3 366.461 3.714 50 0 FHAAHN CCCCNC(=O)c1c(C)n([C@@H]2CCCN(C(C)C)C2)nc1C(F)(F)F ZINC000036704550 571261081 /nfs/dbraw/zinc/26/10/81/571261081.db2.gz 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/nfs/dbraw/zinc/32/94/05/571329405.db2.gz KCGKQJKCNOZBBR-LPHOPBHVSA-N 0 3 372.896 3.888 50 0 FHAAHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccccc1SC ZINC000096026638 571334078 /nfs/dbraw/zinc/33/40/78/571334078.db2.gz BYNDSECCYXOACX-OAQYLSRUSA-N 0 3 373.518 3.529 50 0 FHAAHN COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2[O-])[NH+](C)C)cc1 ZINC000002657933 571340188 /nfs/dbraw/zinc/34/01/88/571340188.db2.gz KDBFGZAURIWHGR-FQEVSTJZSA-N 0 3 364.445 3.587 50 0 FHAAHN Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000057154922 571342444 /nfs/dbraw/zinc/34/24/44/571342444.db2.gz MLWJYMKFAJQRJS-QUCCMNQESA-N 0 3 353.466 3.559 50 0 FHAAHN C[C@@H]1CCC[C@@H](C)N1CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003189760 571345307 /nfs/dbraw/zinc/34/53/07/571345307.db2.gz STTINUWGALUHJH-ZIAGYGMSSA-N 0 3 358.935 3.660 50 0 FHAAHN O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003289415 571346701 /nfs/dbraw/zinc/34/67/01/571346701.db2.gz WVLIKYMRAWIJMG-OAHLLOKOSA-N 0 3 360.360 3.614 50 0 FHAAHN 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FHAAHN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(Cc2cnn(C)c2)C1 ZINC000012072694 570716118 /nfs/dbraw/zinc/71/61/18/570716118.db2.gz SSVZEWGHZZFBLD-ICKBMGCOSA-N 0 3 367.493 3.669 50 0 FHAAHN O[C@]1(c2ccccc2)CCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000012241373 570730947 /nfs/dbraw/zinc/73/09/47/570730947.db2.gz JVQXXEVTTWHYDQ-HSZRJFAPSA-N 0 3 360.457 3.754 50 0 FHAAHN CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1ccco1 ZINC000012298267 570733265 /nfs/dbraw/zinc/73/32/65/570733265.db2.gz LDRCCMSWTJVBSB-QGZVFWFLSA-N 0 3 360.885 3.960 50 0 FHAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCC(F)(F)F ZINC000012387680 570741940 /nfs/dbraw/zinc/74/19/40/570741940.db2.gz YWUOZYOUDLKWIG-UHFFFAOYSA-N 0 3 374.422 3.881 50 0 FHAAHN CN(C)c1ccc(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000012449260 570747177 /nfs/dbraw/zinc/74/71/77/570747177.db2.gz MGPLITYXIGQNCC-OAQYLSRUSA-N 0 3 365.521 3.580 50 0 FHAAHN Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C3CCCCC3)CC2)c1 ZINC000032579750 570749164 /nfs/dbraw/zinc/74/91/64/570749164.db2.gz 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/nfs/dbraw/zinc/19/10/09/571191009.db2.gz BGHZOGGANANMIC-FNORWQNLSA-N 0 3 355.409 3.701 50 0 FHAAHN O=C1CC[C@@]2(CCCN(CCCC(F)(F)F)C2)CN1Cc1ccccn1 ZINC000072470267 571198749 /nfs/dbraw/zinc/19/87/49/571198749.db2.gz CNYNIISHTQUKSG-GOSISDBHSA-N 0 3 369.431 3.629 50 0 FHAAHN O=C(c1cccc2cc[nH]c21)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072474497 571199021 /nfs/dbraw/zinc/19/90/21/571199021.db2.gz BRDLOJNZQAOUBE-UHFFFAOYSA-N 0 3 359.473 3.831 50 0 FHAAHN Cc1ncc2c(c1CNC(=O)Cc1ccc(-c3ccccc3)cc1)CCNC2 ZINC000072478678 571199530 /nfs/dbraw/zinc/19/95/30/571199530.db2.gz SGOUDYLOBQWHBK-UHFFFAOYSA-N 0 3 371.484 3.562 50 0 FHAAHN CCn1c(CNC2CCN(C(=O)C3CCCCC3)CC2)nc2ccccc21 ZINC000054174820 571202845 /nfs/dbraw/zinc/20/28/45/571202845.db2.gz MIBNNGMHZCNKRP-UHFFFAOYSA-N 0 3 368.525 3.717 50 0 FHAAHN CCn1cc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)c(C)n1 ZINC000077286410 571206224 /nfs/dbraw/zinc/20/62/24/571206224.db2.gz UUKOVZHLMHKTAX-FQEVSTJZSA-N 0 3 354.498 3.640 50 0 FHAAHN CCn1ncc(-c2cccc(C(=O)N(C)CCN3CCCCCC3)c2)c1C ZINC000534631162 571206641 /nfs/dbraw/zinc/20/66/41/571206641.db2.gz QPOTVMBCBHYLBE-UHFFFAOYSA-N 0 3 368.525 3.826 50 0 FHAAHN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccon2)N2CCC(C)CC2)cc1 ZINC000534644813 571206733 /nfs/dbraw/zinc/20/67/33/571206733.db2.gz VBGRZXAEYZJQAM-FQEVSTJZSA-N 0 3 370.497 3.598 50 0 FHAAHN CCc1nc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)ccc1C ZINC000534656800 571208034 /nfs/dbraw/zinc/20/80/34/571208034.db2.gz LQSGBVYVABPGAY-UHFFFAOYSA-N 0 3 351.494 3.786 50 0 FHAAHN CC(C)C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1cccc1 ZINC000263587190 571210886 /nfs/dbraw/zinc/21/08/86/571210886.db2.gz DFQOSOGNDHDMIX-OAQYLSRUSA-N 0 3 353.510 3.856 50 0 FHAAHN CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2c(Cl)cnn2C)cc1 ZINC000077488212 571213331 /nfs/dbraw/zinc/21/33/31/571213331.db2.gz VYUNVKXMPXRPDA-QGZVFWFLSA-N 0 3 360.889 3.503 50 0 FHAAHN Cc1nc(CC(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 ZINC000077517421 571214306 /nfs/dbraw/zinc/21/43/06/571214306.db2.gz 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571229874 /nfs/dbraw/zinc/22/98/74/571229874.db2.gz VIKIXXYHNDYBDP-UHFFFAOYSA-N 0 3 361.445 3.834 50 0 FHAAHN Cc1ccc(-c2cccc(C(=O)N3CCN(C4CCCCC4)CC3)c2)nn1 ZINC000426535197 571230723 /nfs/dbraw/zinc/23/07/23/571230723.db2.gz PXVSLKCVQIRQIU-UHFFFAOYSA-N 0 3 364.493 3.543 50 0 FHAAHN Nc1ccncc1-c1ccc(C(=O)N(CC2CCC2)C[C@@H]2CCCO2)cc1 ZINC000426667144 571234549 /nfs/dbraw/zinc/23/45/49/571234549.db2.gz UBPJYZCRYYUDKI-IBGZPJMESA-N 0 3 365.477 3.582 50 0 FHAAHN c1csc([C@H](CNCc2cnn(-c3ccccc3)c2)N2CCCC2)c1 ZINC000023248930 571237534 /nfs/dbraw/zinc/23/75/34/571237534.db2.gz GJCPGPGNOJJHOW-IBGZPJMESA-N 0 3 352.507 3.861 50 0 FHAAHN CCCN(Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1C ZINC000036097245 571241074 /nfs/dbraw/zinc/24/10/74/571241074.db2.gz KOBZLNPRYXYQGO-LJQANCHMSA-N 0 3 373.493 3.664 50 0 FHAAHN COCCN(Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1C ZINC000036097350 571241144 /nfs/dbraw/zinc/24/11/44/571241144.db2.gz MZCIBXFJFZZNEY-NRFANRHFSA-N 0 3 357.494 3.500 50 0 FHAAHN Cc1ccccc1CN(C[C@H](O)COc1ccccc1C)C[C@@H]1CCCO1 ZINC000036100019 571241577 /nfs/dbraw/zinc/24/15/77/571241577.db2.gz LPBYLAZOYHYLRD-VXKWHMMOSA-N 0 3 369.505 3.724 50 0 FHAAHN COc1ccccc1CN(C[C@H](O)COc1ccc(Cl)cc1)C(C)C ZINC000036102861 571241981 /nfs/dbraw/zinc/24/19/81/571241981.db2.gz XUTUHUNNCZODGJ-SFHVURJKSA-N 0 3 363.885 3.999 50 0 FHAAHN CN1CC2(CCN(Cc3cccs3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091746968 571243374 /nfs/dbraw/zinc/24/33/74/571243374.db2.gz IFHFQJYLKAPUSW-LJQANCHMSA-N 0 3 354.519 3.976 50 0 FHAAHN CCCNCC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC ZINC000006784898 571246430 /nfs/dbraw/zinc/24/64/30/571246430.db2.gz RBTXPEBFCGMZOW-UHFFFAOYSA-N 0 3 352.481 3.591 50 0 FHAAHN CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)N(C)C)c1ccccc1 ZINC000006934679 571255108 /nfs/dbraw/zinc/25/51/08/571255108.db2.gz BNSDOIQSEDKUGI-LEWJYISDSA-N 0 3 354.494 3.998 50 0 FHAAHN Cc1ccc(-c2cc(C(F)(F)F)nc(N3CCN4CCC[C@@H]4C3)n2)s1 ZINC000036613204 571257966 /nfs/dbraw/zinc/25/79/66/571257966.db2.gz 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571273738 /nfs/dbraw/zinc/27/37/38/571273738.db2.gz GBSOZZTXUXRUSH-UTKZUKDTSA-N 0 3 368.477 3.656 50 0 FHAAHN CN1CCC[C@@H](C(=O)Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)C1 ZINC000076060841 571274025 /nfs/dbraw/zinc/27/40/25/571274025.db2.gz QCCZNVOXSWCMMP-CQSZACIVSA-N 0 3 352.413 3.649 50 0 FHAAHN c1c(CN2CCC[C@@H](c3nnc4ccccn43)C2)onc1-c1ccccc1 ZINC000076395777 571275280 /nfs/dbraw/zinc/27/52/80/571275280.db2.gz RNRPSHBTBBNLCS-QGZVFWFLSA-N 0 3 359.433 3.764 50 0 FHAAHN O=C(CSc1ccccc1F)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000007652042 571285349 /nfs/dbraw/zinc/28/53/49/571285349.db2.gz APBWPQTXLNIEIN-SFHVURJKSA-N 0 3 358.482 3.871 50 0 FHAAHN COc1ccc([C@@H](C)NC(=O)N2CCN(CC3CCCC3)CC2)cc1C ZINC000584898707 571315876 /nfs/dbraw/zinc/31/58/76/571315876.db2.gz ISNIHEKTYUYQDZ-QGZVFWFLSA-N 0 3 359.514 3.582 50 0 FHAAHN CCN1CCCN(C(=O)c2ccc(-c3ccc(O)c(C)c3C)cc2)CC1 ZINC000584898933 571315923 /nfs/dbraw/zinc/31/59/23/571315923.db2.gz SXJMKKPEKBIOGI-UHFFFAOYSA-N 0 3 352.478 3.844 50 0 FHAAHN COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1F ZINC000007941395 571322498 /nfs/dbraw/zinc/32/24/98/571322498.db2.gz VUIZHDWBTAERCC-UHFFFAOYSA-N 0 3 356.441 3.750 50 0 FHAAHN CCOCc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000467950088 571327923 /nfs/dbraw/zinc/32/79/23/571327923.db2.gz UMUVAKRVKRWAFK-HXUWFJFHSA-N 0 3 367.493 3.867 50 0 FHAAHN CN1CC[C@H]2[C@H](CCN2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095467023 571330513 /nfs/dbraw/zinc/33/05/13/571330513.db2.gz FURPSVXUKJUJOT-YGRLFVJLSA-N 0 3 361.795 3.917 50 0 FHAAHN C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C1=CCN(C)CC1 ZINC000095469129 571330566 /nfs/dbraw/zinc/33/05/66/571330566.db2.gz IFEOENAXJJTITD-CQSZACIVSA-N 0 3 352.503 3.894 50 0 FHAAHN CCc1ccccc1NC(=S)N(CCN(C)C)[C@@H](C)c1cccnc1 ZINC000002934113 571341979 /nfs/dbraw/zinc/34/19/79/571341979.db2.gz GQCNBZQQPVCXCZ-INIZCTEOSA-N 0 3 356.539 3.966 50 0 FHAAHN Cc1cc([C@H]2CCCN2C(=O)[C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000057154925 571342410 /nfs/dbraw/zinc/34/24/10/571342410.db2.gz 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/nfs/dbraw/zinc/35/96/54/571359654.db2.gz HVPFADKLRYHIOX-UHFFFAOYSA-N 0 3 366.509 3.834 50 0 FHAAHN CCN(Cc1nc(-c2ccc(F)c(F)c2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289693778 930820178 /nfs/dbraw/zinc/82/01/78/930820178.db2.gz HANJRVWWSMQBLN-ZDUSSCGKSA-N 0 3 351.397 3.794 50 0 FHAAHN CCCN(CC(=O)NCc1cccs1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000076019812 938996200 /nfs/dbraw/zinc/99/62/00/938996200.db2.gz ZKWOVTREISEHSD-MSOLQXFVSA-N 0 3 364.555 3.814 50 0 FHAAHN CCCN(CC(=O)NCc1cccs1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000076019815 938996222 /nfs/dbraw/zinc/99/62/22/938996222.db2.gz ZKWOVTREISEHSD-ROUUACIJSA-N 0 3 364.555 3.814 50 0 FHAAHN COc1ccc2c(c1)[C@H](NCc1ccc(CN3CCCC3=O)cc1)CC2 ZINC000128487269 942028233 /nfs/dbraw/zinc/02/82/33/942028233.db2.gz UDMQAMBURVTVJU-OAQYLSRUSA-N 0 3 350.462 3.595 50 0 FHAAHN Cc1nnc([C@@H]2CCN(Cc3ccccc3)CCN2Cc2ccccc2)[nH]1 ZINC000675013316 943614223 /nfs/dbraw/zinc/61/42/23/943614223.db2.gz JHBUUKDMGFOEBW-NRFANRHFSA-N 0 3 361.493 3.562 50 0 FHAAHN 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ZINC000020995596 522966315 /nfs/dbraw/zinc/96/63/15/522966315.db2.gz XIYWMXYSCGRSBR-UKKYDJSUSA-N 0 3 353.485 3.873 50 0 FHAAHN CN1CCC(C(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000078578621 523750732 /nfs/dbraw/zinc/75/07/32/523750732.db2.gz SXIJEACQQBPTAU-UHFFFAOYSA-N 0 3 361.338 3.685 50 0 FHAAHN CN(C(=O)c1c[nH]nc1C1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000091664029 523916736 /nfs/dbraw/zinc/91/67/36/523916736.db2.gz TXJAPDWLHZFBJA-IBGZPJMESA-N 0 3 366.509 3.804 50 0 FHAAHN CCc1ccc(CN2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)o1 ZINC000020294365 523926088 /nfs/dbraw/zinc/92/60/88/523926088.db2.gz VJTNCWIJZLWOHL-GOSISDBHSA-N 0 3 371.500 3.768 50 0 FHAAHN CN1CC[C@@H](Nc2nc(-c3ccccn3)nc3c2CCC3)[C@H]1c1ccccc1 ZINC000252476745 523969986 /nfs/dbraw/zinc/96/99/86/523969986.db2.gz ARNPQFIPIHRIGQ-TZIWHRDSSA-N 0 3 371.488 3.885 50 0 FHAAHN COc1ccc(CN(C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000245228139 524004777 /nfs/dbraw/zinc/00/47/77/524004777.db2.gz GMYMEZZHOLIHEL-UGKGYDQZSA-N 0 3 355.478 3.582 50 0 FHAAHN C[C@@H](Cc1ccc2c(c1)OCO2)CN(C)Cc1cc(-c2cccnc2)no1 ZINC000216363386 524899552 /nfs/dbraw/zinc/89/95/52/524899552.db2.gz GXSOPZLWARHXQH-HNNXBMFYSA-N 0 3 365.433 3.776 50 0 FHAAHN C[C@H](NC(C)(C)CNC(=O)c1csc(NC2CC2)n1)c1ccccc1 ZINC000078995644 525277171 /nfs/dbraw/zinc/27/71/71/525277171.db2.gz MYMMBCAVKFFYMN-ZDUSSCGKSA-N 0 3 358.511 3.577 50 0 FHAAHN COc1cccc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c1OC ZINC000019836039 525939714 /nfs/dbraw/zinc/93/97/14/525939714.db2.gz CNTJRRJLOMMOAE-HXUWFJFHSA-N 0 3 354.494 3.800 50 0 FHAAHN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2CCSc2ccccc2)C1 ZINC000091663383 526507079 /nfs/dbraw/zinc/50/70/79/526507079.db2.gz MYYVIIUMLHGUDC-RBUKOAKNSA-N 0 3 371.550 3.980 50 0 FHAAHN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000240894787 526889013 /nfs/dbraw/zinc/88/90/13/526889013.db2.gz IPVKQAFLSHPNNC-GVDBMIGSSA-N 0 3 369.431 3.531 50 0 FHAAHN Fc1ccc(-n2cccn2)c(CN2CCC(CCn3cccn3)CC2)c1 ZINC000215308052 568063030 /nfs/dbraw/zinc/06/30/30/568063030.db2.gz YJWCNIJXUQLDQT-UHFFFAOYSA-N 0 3 353.445 3.510 50 0 FHAAHN COc1ccccc1-c1ncc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)s1 ZINC000216203584 568112262 /nfs/dbraw/zinc/11/22/62/568112262.db2.gz PFLRYDUESHXWSY-AWEZNQCLSA-N 0 3 369.494 3.625 50 0 FHAAHN COc1ccccc1-c1ncc(CN2CCC[C@H](c3nc(C)n[nH]3)C2)s1 ZINC000216203584 568112263 /nfs/dbraw/zinc/11/22/63/568112263.db2.gz PFLRYDUESHXWSY-AWEZNQCLSA-N 0 3 369.494 3.625 50 0 FHAAHN COc1ccccc1-c1ncc(CN2CCC[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000216203584 568112264 /nfs/dbraw/zinc/11/22/64/568112264.db2.gz PFLRYDUESHXWSY-AWEZNQCLSA-N 0 3 369.494 3.625 50 0 FHAAHN Cc1nc([C@@H]2CCCN(Cc3cc(C)cc(C)c3-n3cccn3)C2)no1 ZINC000216446880 568123699 /nfs/dbraw/zinc/12/36/99/568123699.db2.gz ZSCPRVMUUZKHTE-QGZVFWFLSA-N 0 3 351.454 3.560 50 0 FHAAHN CN(C)Cc1csc(CN2CCCN(Cc3cccc(F)c3)CC2)c1 ZINC000219043806 568263470 /nfs/dbraw/zinc/26/34/70/568263470.db2.gz DNXMTAHYMQAJOW-UHFFFAOYSA-N 0 3 361.530 3.657 50 0 FHAAHN COc1cccc(/C=C/C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000032238935 568388153 /nfs/dbraw/zinc/38/81/53/568388153.db2.gz JCIKODRKMWPOGE-BBVFFXRHSA-N 0 3 356.491 3.723 50 0 FHAAHN COc1cc(Br)c(CNCCc2ccccc2)cc1OC ZINC000023550213 568403320 /nfs/dbraw/zinc/40/33/20/568403320.db2.gz MPXTUNIVARHHIN-UHFFFAOYSA-N 0 3 350.256 3.799 50 0 FHAAHN CCOc1ccc(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)o2)cc1 ZINC000091906650 570441952 /nfs/dbraw/zinc/44/19/52/570441952.db2.gz QQASCPGVHFEDEX-PKOBYXMFSA-N 0 3 368.477 3.788 50 0 FHAAHN CN(Cc1cccc2cnccc21)C(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095352127 570451781 /nfs/dbraw/zinc/45/17/81/570451781.db2.gz RJLSDXLRMGGXII-IBGZPJMESA-N 0 3 363.461 3.698 50 0 FHAAHN CSc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 ZINC000095355679 570452691 /nfs/dbraw/zinc/45/26/91/570452691.db2.gz CYWZRGSEGGAHNO-JKSUJKDBSA-N 0 3 373.547 3.602 50 0 FHAAHN CSCCc1nc(Cc2c[nH]c3ccccc23)n(C2CCN(C)CC2)n1 ZINC000095359802 570453814 /nfs/dbraw/zinc/45/38/14/570453814.db2.gz VENWHONYCUCBAO-UHFFFAOYSA-N 0 3 369.538 3.522 50 0 FHAAHN O=C(NCc1[nH]nc2c1CCCCC2)c1ccc(CN2CCCCC2)cc1 ZINC000095376509 570457770 /nfs/dbraw/zinc/45/77/70/570457770.db2.gz ZOUALDJMBYXSHL-UHFFFAOYSA-N 0 3 366.509 3.595 50 0 FHAAHN c1c(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)onc1-c1ccccc1 ZINC000095380327 570458420 /nfs/dbraw/zinc/45/84/20/570458420.db2.gz UIKHHVYDFYNCTI-PZJWPPBQSA-N 0 3 374.488 3.833 50 0 FHAAHN Cc1nc(-c2nc(COc3ccccc3)n(C3CCN(C)CC3)n2)cs1 ZINC000095380637 570458866 /nfs/dbraw/zinc/45/88/66/570458866.db2.gz ZHUITVUZRLRQKD-UHFFFAOYSA-N 0 3 369.494 3.556 50 0 FHAAHN O=C([C@H]1CCCN(Cc2ccco2)C1)N1CC=C(c2ccccc2)CC1 ZINC000095380433 570458973 /nfs/dbraw/zinc/45/89/73/570458973.db2.gz NDAPMJKQXQRRSK-FQEVSTJZSA-N 0 3 350.462 3.808 50 0 FHAAHN Oc1cccc([C@@H]2CN(Cc3cccc(F)c3F)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095388431 570460866 /nfs/dbraw/zinc/46/08/66/570460866.db2.gz WSNLEEKZEYFQKT-VLCRHTCISA-N 0 3 370.443 3.733 50 0 FHAAHN FC(F)Oc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000095391872 570461250 /nfs/dbraw/zinc/46/12/50/570461250.db2.gz AGEVWLKFWUUDGQ-RBUKOAKNSA-N 0 3 373.447 3.779 50 0 FHAAHN O=C(c1ccc2cc[nH]c2c1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095391822 570461312 /nfs/dbraw/zinc/46/13/12/570461312.db2.gz VCEITLQOWWYMMA-GHTZIAJQSA-N 0 3 359.473 3.905 50 0 FHAAHN Cc1cccnc1[C@H](C)NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000095511239 570465524 /nfs/dbraw/zinc/46/55/24/570465524.db2.gz QUBCJHLASTVWCN-INIZCTEOSA-N 0 3 368.481 3.746 50 0 FHAAHN CC(=O)c1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccco3)C2)cc1 ZINC000095513140 570466032 /nfs/dbraw/zinc/46/60/32/570466032.db2.gz BRLZUJIMQWVEBN-MRXNPFEDSA-N 0 3 355.438 3.516 50 0 FHAAHN CN1CCCC[C@@H]1CNC(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000095522198 570467752 /nfs/dbraw/zinc/46/77/52/570467752.db2.gz OFFAJCVXAAQGCA-LJQANCHMSA-N 0 3 353.466 3.871 50 0 FHAAHN Fc1ccc(-c2n[nH]cc2CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)cc1 ZINC000095523325 570468058 /nfs/dbraw/zinc/46/80/58/570468058.db2.gz LZEKWHMZZQUVNT-OXJNMPFZSA-N 0 3 354.473 3.522 50 0 FHAAHN Fc1ccccc1CN1CCC(NCc2cccc3c2OCCCO3)CC1 ZINC000048750936 570515256 /nfs/dbraw/zinc/51/52/56/570515256.db2.gz OCPYOJOBXHKWOO-UHFFFAOYSA-N 0 3 370.468 3.741 50 0 FHAAHN CCOc1ccccc1CN1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002734718 570528899 /nfs/dbraw/zinc/52/88/99/570528899.db2.gz SXMVAVVUUHFGAG-NRFANRHFSA-N 0 3 366.505 3.956 50 0 FHAAHN Cc1ccsc1CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000426435433 570605894 /nfs/dbraw/zinc/60/58/94/570605894.db2.gz QIURGPLNRWEEOW-SFHVURJKSA-N 0 3 357.523 3.515 50 0 FHAAHN Cc1cc(NCCN(C)C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000005269857 570622926 /nfs/dbraw/zinc/62/29/26/570622926.db2.gz UOQBZTXQAQMRKN-UHFFFAOYSA-N 0 3 363.387 3.697 50 0 FHAAHN O=C(CCc1ccccc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006698629 570652319 /nfs/dbraw/zinc/65/23/19/570652319.db2.gz FVNUMYXCRGKSKN-UHFFFAOYSA-N 0 3 352.522 3.732 50 0 FHAAHN C/C=C/c1ccc(OCCCN2CCC(C(=O)OCC)CC2)c(OC)c1 ZINC000006703629 570652805 /nfs/dbraw/zinc/65/28/05/570652805.db2.gz QNYQFEADWASDNL-QPJJXVBHSA-N 0 3 361.482 3.772 50 0 FHAAHN CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000009691886 570696701 /nfs/dbraw/zinc/69/67/01/570696701.db2.gz OOWOKPYMDPEHJE-UHFFFAOYSA-N 0 3 351.450 3.883 50 0 FHAAHN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCCCC2)cc1 ZINC000010691375 570702210 /nfs/dbraw/zinc/70/22/10/570702210.db2.gz LBJDZRRBWLEEOJ-UHFFFAOYSA-N 0 3 352.434 3.696 50 0 FHAAHN CC(C)CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000011782842 570706832 /nfs/dbraw/zinc/70/68/32/570706832.db2.gz AZIFVSPAFDQGEW-QFIPXVFZSA-N 0 3 355.478 3.824 50 0 FHAAHN CCc1nc(C)c(CN2CCC(CCC(=O)Nc3ccccc3)CC2)[nH]1 ZINC000011817929 570707606 /nfs/dbraw/zinc/70/76/06/570707606.db2.gz CQXDZDLPVZVXQG-UHFFFAOYSA-N 0 3 354.498 3.911 50 0 FHAAHN O=C(c1cccs1)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000011820566 570708103 /nfs/dbraw/zinc/70/81/03/570708103.db2.gz FTDWJULHSMVGPQ-GOSISDBHSA-N 0 3 355.507 3.517 50 0 FHAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)c1cccc(F)c1 ZINC000012314023 570735852 /nfs/dbraw/zinc/73/58/52/570735852.db2.gz XYIBHNNBCINHBB-UHFFFAOYSA-N 0 3 372.459 3.992 50 0 FHAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2ccsc2)CC1 ZINC000012373536 570740058 /nfs/dbraw/zinc/74/00/58/570740058.db2.gz ZUASUZOCWUGCDC-UHFFFAOYSA-N 0 3 372.534 3.783 50 0 FHAAHN C[C@@H](Oc1ccc(F)cc1F)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012380632 570740472 /nfs/dbraw/zinc/74/04/72/570740472.db2.gz KGCIFIQTDYWGOU-OAHLLOKOSA-N 0 3 374.431 3.513 50 0 FHAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccsc2)C1 ZINC000012429935 570744328 /nfs/dbraw/zinc/74/43/28/570744328.db2.gz HGFZFPLATQNWGP-KRWDZBQOSA-N 0 3 372.534 3.783 50 0 FHAAHN CN1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccc(F)c(F)c2)C1 ZINC000012578786 570751489 /nfs/dbraw/zinc/75/14/89/570751489.db2.gz KECMNJKLYQNSEB-GOSISDBHSA-N 0 3 372.459 3.992 50 0 FHAAHN Cc1ncc(CN(C)C[C@H]2CCCN(CCc3ccccc3F)C2)s1 ZINC000012593392 570752627 /nfs/dbraw/zinc/75/26/27/570752627.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 0 3 361.530 3.977 50 0 FHAAHN CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012702041 570756924 /nfs/dbraw/zinc/75/69/24/570756924.db2.gz KSLURRSIEVNONG-IBGZPJMESA-N 0 3 371.912 3.904 50 0 FHAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1ccc2[nH]ccc2c1 ZINC000012745252 570759134 /nfs/dbraw/zinc/75/91/34/570759134.db2.gz YPIGVRXDSMBACN-FQEVSTJZSA-N 0 3 359.473 3.530 50 0 FHAAHN COCc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012836079 570765348 /nfs/dbraw/zinc/76/53/48/570765348.db2.gz UGVQFPGECPKZQK-FQEVSTJZSA-N 0 3 363.885 3.897 50 0 FHAAHN COc1ccc([C@H](CNCc2ccc(OC)cc2OC)N2CCCC2)cc1 ZINC000022932977 570772525 /nfs/dbraw/zinc/77/25/25/570772525.db2.gz LROZQAGIGPGDQB-NRFANRHFSA-N 0 3 370.493 3.639 50 0 FHAAHN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000004279522 570773208 /nfs/dbraw/zinc/77/32/08/570773208.db2.gz HGACYDIYCDKQBY-XJKSGUPXSA-N 0 3 350.256 3.540 50 0 FHAAHN C[C@H](O)CNCc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032739822 570789393 /nfs/dbraw/zinc/78/93/93/570789393.db2.gz CEWPYKVGVHOPST-HNNXBMFYSA-N 0 3 355.869 3.722 50 0 FHAAHN Cc1cc(NC(=O)CCN2CCC(C(=O)c3ccc(C)cc3C)CC2)no1 ZINC000032825547 570816688 /nfs/dbraw/zinc/81/66/88/570816688.db2.gz OSTJJCMAXMYQFI-UHFFFAOYSA-N 0 3 369.465 3.523 50 0 FHAAHN CC(=O)Nc1ccc(OC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000032868874 570824325 /nfs/dbraw/zinc/82/43/25/570824325.db2.gz DMUNLKNHGBZSSF-UHFFFAOYSA-N 0 3 352.434 3.850 50 0 FHAAHN CCN(CC)[C@H](CNC(=O)c1oc2c(c1C)C(=O)CCC2)c1ccccc1 ZINC000032921970 570862552 /nfs/dbraw/zinc/86/25/52/570862552.db2.gz MZDIGOCTLZGFPY-QGZVFWFLSA-N 0 3 368.477 3.920 50 0 FHAAHN CCN(CC)Cc1ccc(C(=O)OCC(=O)c2cc(F)ccc2OC)cc1 ZINC000032922172 570862901 /nfs/dbraw/zinc/86/29/01/570862901.db2.gz DHLSJQMMWBYLRH-UHFFFAOYSA-N 0 3 373.424 3.716 50 0 FHAAHN Cc1ccccc1CN(C[C@@H](O)COc1ccccc1C)C[C@@H]1CCCO1 ZINC000104973103 570865737 /nfs/dbraw/zinc/86/57/37/570865737.db2.gz LPBYLAZOYHYLRD-YADHBBJMSA-N 0 3 369.505 3.724 50 0 FHAAHN O=C(Cc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000044719575 570899115 /nfs/dbraw/zinc/89/91/15/570899115.db2.gz 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ZINC000299763213 534341234 /nfs/dbraw/zinc/34/12/34/534341234.db2.gz ZACILBWVPULWBR-SFHVURJKSA-N 0 3 367.497 3.609 50 0 FHAAHN CCCc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)n(C)n1 ZINC000082146043 521360092 /nfs/dbraw/zinc/36/00/92/521360092.db2.gz HSWOEVXKQOLJDT-NRFANRHFSA-N 0 3 368.525 3.720 50 0 FHAAHN CCN1CCN(CCCOc2ccc(Br)cc2C(C)C)CC1 ZINC000020406382 521682092 /nfs/dbraw/zinc/68/20/92/521682092.db2.gz YMOSPFOSJIHZQC-UHFFFAOYSA-N 0 3 369.347 3.979 50 0 FHAAHN CCS[C@@H]1CC[C@]1(O)CN[C@H]1CCc2c1cc(Br)cc2F ZINC000241446944 521727937 /nfs/dbraw/zinc/72/79/37/521727937.db2.gz NPWMIPFEYQTNMD-XHSDSOJGSA-N 0 3 374.319 3.812 50 0 FHAAHN COc1ccc(/C=C/CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091644527 523404752 /nfs/dbraw/zinc/40/47/52/523404752.db2.gz BFXAZNMZQKECHH-WOFSGTTBSA-N 0 3 363.505 3.700 50 0 FHAAHN COCCN1CCC[C@H](CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)C1 ZINC000091665132 523830385 /nfs/dbraw/zinc/83/03/85/523830385.db2.gz IOTCDBDOUHHABF-CQSZACIVSA-N 0 3 373.324 3.732 50 0 FHAAHN COc1ccc(CNC[C@@](O)(c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020365948 524071928 /nfs/dbraw/zinc/07/19/28/524071928.db2.gz VQCOJXZDTNIMJW-JOCHJYFZSA-N 0 3 351.421 3.860 50 0 FHAAHN Cc1ccc(CN(CCN(C)C)C(=O)c2cnoc2-c2ccccc2)s1 ZINC000216369554 524406515 /nfs/dbraw/zinc/40/65/15/524406515.db2.gz KDLGPPZZJGFWAN-UHFFFAOYSA-N 0 3 369.490 3.916 50 0 FHAAHN COc1ccccc1NC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000020851327 524612726 /nfs/dbraw/zinc/61/27/26/524612726.db2.gz DINASUIXTZQEQB-UHFFFAOYSA-N 0 3 371.456 3.868 50 0 FHAAHN Cc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091593232 525157499 /nfs/dbraw/zinc/15/74/99/525157499.db2.gz UEOPYHDLXSUEFN-RBBKRZOGSA-N 0 3 363.505 3.801 50 0 FHAAHN Cc1cc(=O)[n-]c(-c2ccc(C[N@H+](C)CCn3ccc4ccccc43)cc2)n1 ZINC000020138512 526117442 /nfs/dbraw/zinc/11/74/42/526117442.db2.gz WSLQBYAWVHNAHZ-UHFFFAOYSA-N 0 3 372.472 3.832 50 0 FHAAHN Cc1cc(=O)[n-]c(-c2ccc(C[N@@H+](C)CCn3ccc4ccccc43)cc2)n1 ZINC000020138512 526117449 /nfs/dbraw/zinc/11/74/49/526117449.db2.gz 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/nfs/dbraw/zinc/09/38/11/568093811.db2.gz VHFDEKZBWNAJOE-UHFFFAOYSA-N 0 3 364.489 3.758 50 0 FHAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1csc(C)c1)CC2 ZINC000091808405 570439530 /nfs/dbraw/zinc/43/95/30/570439530.db2.gz RGFMXXOABXBIIN-UHFFFAOYSA-N 0 3 372.538 3.569 50 0 FHAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)Nc3ccccc3)C2)cc1 ZINC000091819507 570440049 /nfs/dbraw/zinc/44/00/49/570440049.db2.gz RLRBIXUKBIHXPR-AZUAARDMSA-N 0 3 365.477 3.824 50 0 FHAAHN c1cn(Cc2cscn2)c(C2CCN(CCOc3ccccc3)CC2)n1 ZINC000091906968 570442027 /nfs/dbraw/zinc/44/20/27/570442027.db2.gz BPJQTHKTXSRHBU-UHFFFAOYSA-N 0 3 368.506 3.646 50 0 FHAAHN Cc1ccc(-c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)[nH]n2)o1 ZINC000092037026 570445605 /nfs/dbraw/zinc/44/56/05/570445605.db2.gz GTTAHRGYAJBTRQ-LJQANCHMSA-N 0 3 364.449 3.545 50 0 FHAAHN O=C(NCc1noc(C2CCCC2)n1)c1ccc(CN2CCCCC2)cc1 ZINC000095367863 570455455 /nfs/dbraw/zinc/45/54/55/570455455.db2.gz DGNTVRFTIDEBNI-UHFFFAOYSA-N 0 3 368.481 3.643 50 0 FHAAHN O=C(c1ccc2ncccc2c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095380213 570458352 /nfs/dbraw/zinc/45/83/52/570458352.db2.gz IOFMILGDGANJAF-DENIHFKCSA-N 0 3 371.484 3.971 50 0 FHAAHN COCCCCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095382608 570459627 /nfs/dbraw/zinc/45/96/27/570459627.db2.gz QCOAZGHLQNTYIK-MDNUFGMLSA-N 0 3 370.537 3.590 50 0 FHAAHN CC(C)n1cnnc1[C@@H](C)NC(=O)Nc1ccccc1CN1CCCCC1 ZINC000095508196 570464691 /nfs/dbraw/zinc/46/46/91/570464691.db2.gz RCNQUQLUIWVUIL-MRXNPFEDSA-N 0 3 370.501 3.728 50 0 FHAAHN CC(=O)c1cc(-c2nc(-c3cccnc3)nn2C2CCN(C)CC2)cs1 ZINC000095516376 570466512 /nfs/dbraw/zinc/46/65/12/570466512.db2.gz SOHOZGQHVUTDIH-UHFFFAOYSA-N 0 3 367.478 3.538 50 0 FHAAHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002845655 570536621 /nfs/dbraw/zinc/53/66/21/570536621.db2.gz ZZYCONDCTPBVQF-UHFFFAOYSA-N 0 3 353.821 3.539 50 0 FHAAHN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000044126451 570538213 /nfs/dbraw/zinc/53/82/13/570538213.db2.gz CYXDSWPWFYUGPO-HUUCEWRRSA-N 0 3 358.404 3.822 50 0 FHAAHN CC(=O)c1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000002858450 570538823 /nfs/dbraw/zinc/53/88/23/570538823.db2.gz AVPLJJRGLMEEQW-UHFFFAOYSA-N 0 3 367.518 3.840 50 0 FHAAHN CC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)no1 ZINC000158178710 570539748 /nfs/dbraw/zinc/53/97/48/570539748.db2.gz BFTGHGPKNRVJGT-APWZRJJASA-N 0 3 355.482 3.781 50 0 FHAAHN CCCOc1ccc(Br)cc1CNCCOc1ccccn1 ZINC000113395237 570543890 /nfs/dbraw/zinc/54/38/90/570543890.db2.gz YXYOCSQXCOEBKH-UHFFFAOYSA-N 0 3 365.271 3.802 50 0 FHAAHN CCOc1c(Cl)cc(CNCCCOc2ccccn2)cc1OC ZINC000113397446 570543938 /nfs/dbraw/zinc/54/39/38/570543938.db2.gz KRUKDFBCEUEGCB-UHFFFAOYSA-N 0 3 350.846 3.701 50 0 FHAAHN CCOc1cc(CNCCc2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000113399193 570544512 /nfs/dbraw/zinc/54/45/12/570544512.db2.gz SDGUHNQMBXQCNI-UHFFFAOYSA-N 0 3 359.857 3.956 50 0 FHAAHN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000004123057 570577774 /nfs/dbraw/zinc/57/77/74/570577774.db2.gz PQFRYJYDBGOGLD-UHFFFAOYSA-N 0 3 367.493 3.870 50 0 FHAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 ZINC000005093410 570583709 /nfs/dbraw/zinc/58/37/09/570583709.db2.gz ZIRUICNKAAZNRG-LJQANCHMSA-N 0 3 351.425 3.791 50 0 FHAAHN CCn1c(C)cc(O)c([C@@H](c2ccccc2F)N2CCC(C)CC2)c1=O ZINC000038545824 570593868 /nfs/dbraw/zinc/59/38/68/570593868.db2.gz LLDOVGFKKWFJOS-HXUWFJFHSA-N 0 3 358.457 3.843 50 0 FHAAHN COc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCN(C)CC1 ZINC000005510144 570629061 /nfs/dbraw/zinc/62/90/61/570629061.db2.gz JPFQXPGSXGYEHW-UHFFFAOYSA-N 0 3 359.473 3.761 50 0 FHAAHN CC(C)c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1 ZINC000006746689 570653631 /nfs/dbraw/zinc/65/36/31/570653631.db2.gz DCZRZCLZFASGKU-UHFFFAOYSA-N 0 3 353.495 3.668 50 0 FHAAHN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000009691621 570696796 /nfs/dbraw/zinc/69/67/96/570696796.db2.gz KSNZAROMGGXHLD-UHFFFAOYSA-N 0 3 351.450 3.883 50 0 FHAAHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000010441773 570700881 /nfs/dbraw/zinc/70/08/81/570700881.db2.gz DRJDVIFTJORUHY-UHFFFAOYSA-N 0 3 352.434 3.711 50 0 FHAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4c[nH]cn4)C3)C2)cc1 ZINC000011935579 570711957 /nfs/dbraw/zinc/71/19/57/570711957.db2.gz BUNNUNQYYOYYMQ-JOCHJYFZSA-N 0 3 366.509 3.661 50 0 FHAAHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000012223799 570729475 /nfs/dbraw/zinc/72/94/75/570729475.db2.gz PGPMIQDZYNLEOU-UHFFFAOYSA-N 0 3 358.507 3.703 50 0 FHAAHN CCCN1CC[C@H](N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)CCC1=O ZINC000012245054 570730775 /nfs/dbraw/zinc/73/07/75/570730775.db2.gz JSQCTWSVNGVMNS-FUHWJXTLSA-N 0 3 354.498 3.861 50 0 FHAAHN COc1cc(CN2CCC[C@@](CO)(CCc3ccccc3)C2)cc(OC)c1 ZINC000012301455 570733842 /nfs/dbraw/zinc/73/38/42/570733842.db2.gz CHSUSSWDZBVMCA-HSZRJFAPSA-N 0 3 369.505 3.911 50 0 FHAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)C1CCCC1 ZINC000012304040 570734350 /nfs/dbraw/zinc/73/43/50/570734350.db2.gz DXQWMIVOQXBGSS-UHFFFAOYSA-N 0 3 368.481 3.555 50 0 FHAAHN 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N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000092022425 570444887 /nfs/dbraw/zinc/44/48/87/570444887.db2.gz XALAFVMMBBCNAR-LPHOPBHVSA-N 0 3 352.821 3.955 50 0 FHAAHN CC(C)n1cnnc1CN(C)C(=O)c1cccc(CN2CCCCCC2)c1 ZINC000092038032 570445579 /nfs/dbraw/zinc/44/55/79/570445579.db2.gz MDBINICRGPOZNF-UHFFFAOYSA-N 0 3 369.513 3.507 50 0 FHAAHN Cc1cc(C)c2c(ncnc2NC[C@@H](c2cccnc2)N2CCCCC2)n1 ZINC000095358783 570453297 /nfs/dbraw/zinc/45/32/97/570453297.db2.gz ZGNKKBWFSAHQON-SFHVURJKSA-N 0 3 362.481 3.676 50 0 FHAAHN c1[nH]c(CC2CCCC2)nc1CN1C[C@H]2CC[C@H](CN2CC2CCC2)C1 ZINC000095358903 570454032 /nfs/dbraw/zinc/45/40/32/570454032.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 0 3 356.558 3.839 50 0 FHAAHN CSc1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1[nH]cnc1C)C2 ZINC000095362381 570454516 /nfs/dbraw/zinc/45/45/16/570454516.db2.gz KWVFQHQIDRIZAV-FUHWJXTLSA-N 0 3 356.539 3.536 50 0 FHAAHN CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1C ZINC000095367127 570455360 /nfs/dbraw/zinc/45/53/60/570455360.db2.gz 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/nfs/dbraw/zinc/46/26/72/570462672.db2.gz UZGXDLCHQCSLMU-INIZCTEOSA-N 0 3 350.528 3.674 50 0 FHAAHN COc1ccc([C@@H]2CN(Cc3cc4ccccc4o3)C[C@H]2NC(C)=O)cc1 ZINC000095511382 570465539 /nfs/dbraw/zinc/46/55/39/570465539.db2.gz UTPPUCJGDJXYBS-LEWJYISDSA-N 0 3 364.445 3.546 50 0 FHAAHN COCCN1CC[C@H](CNC(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000095519875 570467329 /nfs/dbraw/zinc/46/73/29/570467329.db2.gz ZJYSWCYQHWSYMR-GOSISDBHSA-N 0 3 367.493 3.752 50 0 FHAAHN COc1cc(CNCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000002845425 570536632 /nfs/dbraw/zinc/53/66/32/570536632.db2.gz JOFXIWCJQHSCOF-UHFFFAOYSA-N 0 3 356.249 3.663 50 0 FHAAHN CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3C)CC2)cc1 ZINC000004996006 570573636 /nfs/dbraw/zinc/57/36/36/570573636.db2.gz DFJSLEODIISWNW-UHFFFAOYSA-N 0 3 367.493 3.545 50 0 FHAAHN CCCN1CCC[C@@H](NC(=S)Nc2ccc(Br)cc2C)C1 ZINC000004347964 570586178 /nfs/dbraw/zinc/58/61/78/570586178.db2.gz XNZSKNADCZZCMP-CQSZACIVSA-N 0 3 370.360 3.918 50 0 FHAAHN CC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)no1 ZINC000122538660 570588536 /nfs/dbraw/zinc/58/85/36/570588536.db2.gz CRBSTQVOVHEXLW-WMZOPIPTSA-N 0 3 355.482 3.923 50 0 FHAAHN CC(C)c1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)no1 ZINC000122538024 570588645 /nfs/dbraw/zinc/58/86/45/570588645.db2.gz CRBSTQVOVHEXLW-SJLPKXTDSA-N 0 3 355.482 3.923 50 0 FHAAHN CSc1nc2sc3c(c2c(SCCN(C)C)n1)CC(C)(C)OC3 ZINC000005156436 570594872 /nfs/dbraw/zinc/59/48/72/570594872.db2.gz GBNXURRPBVZGAJ-UHFFFAOYSA-N 0 3 369.581 3.918 50 0 FHAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)Cc3cccnc3)C2)cc1 ZINC000011820930 570595568 /nfs/dbraw/zinc/59/55/68/570595568.db2.gz SZYQSEFBJGXZTM-QFIPXVFZSA-N 0 3 365.521 3.603 50 0 FHAAHN Clc1ccc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)nc1 ZINC000011820840 570595747 /nfs/dbraw/zinc/59/57/47/570595747.db2.gz FROBBYKGNMRFFB-SFHVURJKSA-N 0 3 356.901 3.869 50 0 FHAAHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000248098644 570597102 /nfs/dbraw/zinc/59/71/02/570597102.db2.gz NJEPBOXJFPPUAQ-MCIONIFRSA-N 0 3 374.909 3.505 50 0 FHAAHN CC(C)Cc1nc2sc3c(ncnc3NCCN(C)C)c2c2c1CCC2 ZINC000005267826 570641432 /nfs/dbraw/zinc/64/14/32/570641432.db2.gz ZHSNSRDKZXSBRL-UHFFFAOYSA-N 0 3 369.538 3.900 50 0 FHAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005575709 570677299 /nfs/dbraw/zinc/67/72/99/570677299.db2.gz UIJKUKUBGOTTQZ-FQEVSTJZSA-N 0 3 362.477 3.826 50 0 FHAAHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008535054 570682872 /nfs/dbraw/zinc/68/28/72/570682872.db2.gz LYKCEZZGBMSNGK-GFCCVEGCSA-N 0 3 353.821 3.537 50 0 FHAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000011771830 570706617 /nfs/dbraw/zinc/70/66/17/570706617.db2.gz KWVWXOAXKQRBFG-OAQYLSRUSA-N 0 3 361.489 3.947 50 0 FHAAHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CNC[C@@H](c1ccco1)N(C)C ZINC000022926663 570708804 /nfs/dbraw/zinc/70/88/04/570708804.db2.gz NJAKSLNSFHBICU-NRFANRHFSA-N 0 3 366.509 3.842 50 0 FHAAHN COc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OC1CCN(C)CC1 ZINC000011996676 570713517 /nfs/dbraw/zinc/71/35/17/570713517.db2.gz KGTTWEXYBYZVDT-INIZCTEOSA-N 0 3 368.477 3.659 50 0 FHAAHN Cc1cc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc(C)c1O ZINC000012053899 570715394 /nfs/dbraw/zinc/71/53/94/570715394.db2.gz XTNAKOWNMVUYBC-QFIPXVFZSA-N 0 3 357.469 3.965 50 0 FHAAHN c1nn(-c2ccccn2)c2c1[C@H](NCc1cccc3cnccc31)CCC2 ZINC000012304141 570734276 /nfs/dbraw/zinc/73/42/76/570734276.db2.gz CASUWCWXGRQFBE-HXUWFJFHSA-N 0 3 355.445 3.983 50 0 FHAAHN c1nn(-c2ccccn2)c2c1[C@@H](NCc1cccc3cnccc31)CCC2 ZINC000012304143 570734344 /nfs/dbraw/zinc/73/43/44/570734344.db2.gz CASUWCWXGRQFBE-FQEVSTJZSA-N 0 3 355.445 3.983 50 0 FHAAHN CCOC(=O)C1(CCOC)CCN([C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000012302754 570734371 /nfs/dbraw/zinc/73/43/71/570734371.db2.gz SARXXAALOBKCDR-MRXNPFEDSA-N 0 3 367.917 3.953 50 0 FHAAHN Cc1nc(CC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cs1 ZINC000012429551 570744134 /nfs/dbraw/zinc/74/41/34/570744134.db2.gz HRUQJJLMNFCCIP-HXUWFJFHSA-N 0 3 371.550 3.550 50 0 FHAAHN Cc1nc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cs1 ZINC000012430467 570744192 /nfs/dbraw/zinc/74/41/92/570744192.db2.gz KYTNTDUWQMXDKW-SFHVURJKSA-N 0 3 357.523 3.621 50 0 FHAAHN COc1ccc(CN2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)cc1 ZINC000012591604 570752329 /nfs/dbraw/zinc/75/23/29/570752329.db2.gz JBJFBHVSZNDSCF-JOCHJYFZSA-N 0 3 355.478 3.521 50 0 FHAAHN O=C(CSc1ccccc1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012704979 570757290 /nfs/dbraw/zinc/75/72/90/570757290.db2.gz OKCNCCOLHAAWOK-HXUWFJFHSA-N 0 3 368.546 3.992 50 0 FHAAHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cn1 ZINC000012744879 570759242 /nfs/dbraw/zinc/75/92/42/570759242.db2.gz URYNHLLTRYXUGR-QFIPXVFZSA-N 0 3 367.468 3.657 50 0 FHAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)[C@H]2CC23CCC3)cc1 ZINC000012758514 570760164 /nfs/dbraw/zinc/76/01/64/570760164.db2.gz PAPDMYPIPVTBFV-OAQYLSRUSA-N 0 3 370.537 3.598 50 0 FHAAHN COc1ccc([C@H](CNC(=O)c2oc3c(cccc3F)c2C)N(C)C)cc1 ZINC000032780881 570799311 /nfs/dbraw/zinc/79/93/11/570799311.db2.gz FIQNCDXMRALEIY-SFHVURJKSA-N 0 3 370.424 3.922 50 0 FHAAHN CC(=O)c1ccc(OC[C@H](O)CN[C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000032899657 570839399 /nfs/dbraw/zinc/83/93/99/570839399.db2.gz BMNMWIVEBXZKOA-IFMALSPDSA-N 0 3 353.462 3.678 50 0 FHAAHN Cn1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)c(-c2ccccc2)n1 ZINC000179623985 570849517 /nfs/dbraw/zinc/84/95/17/570849517.db2.gz ZBPWCAYNWYXKFA-GOSISDBHSA-N 0 3 372.476 3.509 50 0 FHAAHN CN(C)CCOc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000046721929 570851884 /nfs/dbraw/zinc/85/18/84/570851884.db2.gz DAUFRCLYXJWBMP-UHFFFAOYSA-N 0 3 351.450 3.680 50 0 FHAAHN Cc1ccc2c(c1)CN(CCC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)O2 ZINC000104478519 570859724 /nfs/dbraw/zinc/85/97/24/570859724.db2.gz FARFBMZOBFYIQC-IAGOWNOFSA-N 0 3 370.468 3.985 50 0 FHAAHN Fc1ccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1 ZINC000020997234 570927665 /nfs/dbraw/zinc/92/76/65/570927665.db2.gz IYUQJVKDLWQAPX-FQEVSTJZSA-N 0 3 371.475 3.751 50 0 FHAAHN CCN1CCC(NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000047979779 570932791 /nfs/dbraw/zinc/93/27/91/570932791.db2.gz UFNVCLKIJMZPRZ-OAHLLOKOSA-N 0 3 353.919 3.660 50 0 FHAAHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(F)cc1 ZINC000048280066 570942895 /nfs/dbraw/zinc/94/28/95/570942895.db2.gz UGEYLPSBYMUFRA-LJQANCHMSA-N 0 3 356.445 3.739 50 0 FHAAHN CC(C)Oc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000048356144 570950055 /nfs/dbraw/zinc/95/00/55/570950055.db2.gz YHHUABBYIMTDKP-SFHVURJKSA-N 0 3 353.466 3.870 50 0 FHAAHN Cc1ccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)o1 ZINC000022851191 570951095 /nfs/dbraw/zinc/95/10/95/570951095.db2.gz GRXLHLPILQGVCQ-FQEVSTJZSA-N 0 3 357.473 3.514 50 0 FHAAHN FC(F)Oc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000048682993 570958649 /nfs/dbraw/zinc/95/86/49/570958649.db2.gz OSFFTPOSGUJPIJ-UHFFFAOYSA-N 0 3 373.359 3.697 50 0 FHAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000027581597 571014499 /nfs/dbraw/zinc/01/44/99/571014499.db2.gz NLRFBIKLMVNKAM-NRFANRHFSA-N 0 3 370.468 3.856 50 0 FHAAHN O=C(COc1ccccc1)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027584235 571015287 /nfs/dbraw/zinc/01/52/87/571015287.db2.gz NQPCVYVELNATOU-GOSISDBHSA-N 0 3 358.507 3.860 50 0 FHAAHN Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1C ZINC000027664295 571018093 /nfs/dbraw/zinc/01/80/93/571018093.db2.gz BKJMWUIJQLACHP-SFHVURJKSA-N 0 3 358.507 3.697 50 0 FHAAHN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC000028291496 571029925 /nfs/dbraw/zinc/02/99/25/571029925.db2.gz QCTCXEDSTVROGO-SFHVURJKSA-N 0 3 358.507 3.960 50 0 FHAAHN CCOC(=O)[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000029118225 571036945 /nfs/dbraw/zinc/03/69/45/571036945.db2.gz KBJJIUNPHBSADN-GOSISDBHSA-N 0 3 363.461 3.776 50 0 FHAAHN CCOc1ccc(NC(=O)CCN(Cc2ccsc2)C2CC2)cc1CO ZINC000072305150 571060765 /nfs/dbraw/zinc/06/07/65/571060765.db2.gz VVBQGHUNKZDJEO-UHFFFAOYSA-N 0 3 374.506 3.632 50 0 FHAAHN C[C@H]1CCCCN1CCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000004669111 571060954 /nfs/dbraw/zinc/06/09/54/571060954.db2.gz HBCPLIQRZKIHJN-KRWDZBQOSA-N 0 3 374.488 3.901 50 0 FHAAHN CCCCc1nn2c(nc(CN(CCC)Cc3ccccc3)cc2=O)s1 ZINC000046032186 571061339 /nfs/dbraw/zinc/06/13/39/571061339.db2.gz PWZASGKCQUWHCP-UHFFFAOYSA-N 0 3 370.522 3.906 50 0 FHAAHN C[C@H]1C[C@@H](N(C)C(=O)c2cc(C3CC3)on2)CCN1Cc1ccccc1 ZINC000172411879 571064105 /nfs/dbraw/zinc/06/41/05/571064105.db2.gz DDGLSCJMFOJKDB-YJBOKZPZSA-N 0 3 353.466 3.677 50 0 FHAAHN C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1cccc(Cl)c1 ZINC000040092539 571075510 /nfs/dbraw/zinc/07/55/10/571075510.db2.gz CNXKRUWGYNLNDA-KRWDZBQOSA-N 0 3 371.912 3.671 50 0 FHAAHN CC(C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000040106038 571077443 /nfs/dbraw/zinc/07/74/43/571077443.db2.gz IRGUYBWIXIWODF-OAHLLOKOSA-N 0 3 365.539 3.736 50 0 FHAAHN C[C@H]1CCCN(CCNC(=O)COc2ccc3oc4ccccc4c3c2)C1 ZINC000040110345 571078547 /nfs/dbraw/zinc/07/85/47/571078547.db2.gz ZCKKCXSLJYWNNT-INIZCTEOSA-N 0 3 366.461 3.813 50 0 FHAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000226982156 571085572 /nfs/dbraw/zinc/08/55/72/571085572.db2.gz LTTLSGHQIKASEQ-FGTMMUONSA-N 0 3 370.836 3.819 50 0 FHAAHN Fc1cccc([C@@H]2CCCN2C[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000229516004 571094625 /nfs/dbraw/zinc/09/46/25/571094625.db2.gz MGTNBLMEXLEPLM-VXKWHMMOSA-N 0 3 354.469 3.864 50 0 FHAAHN Cc1ccc(CN(C[C@@H](O)COc2ccccc2C)C[C@H]2CCCO2)cc1 ZINC000245228811 571094860 /nfs/dbraw/zinc/09/48/60/571094860.db2.gz FXBJOEJTYRHYCE-FGZHOGPDSA-N 0 3 369.505 3.724 50 0 FHAAHN Cc1ccccc1COc1ccc(Br)cc1CNCCCO ZINC000040743794 571096177 /nfs/dbraw/zinc/09/61/77/571096177.db2.gz YOMLWFXCXKCMHY-UHFFFAOYSA-N 0 3 364.283 3.809 50 0 FHAAHN CCOc1ccccc1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000044920028 571104990 /nfs/dbraw/zinc/10/49/90/571104990.db2.gz VAVXMVYVBMOALB-UHFFFAOYSA-N 0 3 352.478 3.614 50 0 FHAAHN CCN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)CC1 ZINC000009339284 571105518 /nfs/dbraw/zinc/10/55/18/571105518.db2.gz CWULLCKKOYPBPR-UHFFFAOYSA-N 0 3 355.507 3.631 50 0 FHAAHN O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000047303295 571107670 /nfs/dbraw/zinc/10/76/70/571107670.db2.gz ZZKKTMNHHUWHTE-UHFFFAOYSA-N 0 3 372.896 3.747 50 0 FHAAHN CCOc1ccc(NC(=O)[C@H](C)N[C@H]2C[C@H](OCC)C23CCCC3)cc1 ZINC000241564168 571109922 /nfs/dbraw/zinc/10/99/22/571109922.db2.gz ORYRAXXLYBBTJG-SNRMKQJTSA-N 0 3 360.498 3.740 50 0 FHAAHN CC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C(C)C ZINC000241969504 571110644 /nfs/dbraw/zinc/11/06/44/571110644.db2.gz UWTJNLBDJUKJNA-BBWFWOEESA-N 0 3 356.432 3.848 50 0 FHAAHN CC(C)c1nnsc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000244602008 571113950 /nfs/dbraw/zinc/11/39/50/571113950.db2.gz DVZVJGBFXYVQBM-AWEZNQCLSA-N 0 3 355.511 3.993 50 0 FHAAHN CN(C)C[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000009578959 571114222 /nfs/dbraw/zinc/11/42/22/571114222.db2.gz PTRWSJDNHNJLLH-OAQYLSRUSA-N 0 3 374.488 3.782 50 0 FHAAHN CC(C)n1ccnc1[C@H]1CCCN(Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652038 571114291 /nfs/dbraw/zinc/11/42/91/571114291.db2.gz GYQMDHPJWVTJFM-SFHVURJKSA-N 0 3 362.481 3.696 50 0 FHAAHN O=C(CCN1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1)Nc1cccnc1 ZINC000244673839 571114322 /nfs/dbraw/zinc/11/43/22/571114322.db2.gz HWNGDJCNJJGPKA-SFHVURJKSA-N 0 3 367.428 3.653 50 0 FHAAHN CSc1cccc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)c1 ZINC000244723774 571115414 /nfs/dbraw/zinc/11/54/14/571115414.db2.gz MHEULEITMNNPNO-UHFFFAOYSA-N 0 3 362.524 3.598 50 0 FHAAHN CN(C)Cc1cccc(CNC(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000055309869 571119211 /nfs/dbraw/zinc/11/92/11/571119211.db2.gz JNJNDOZOCHFPNY-UHFFFAOYSA-N 0 3 367.478 3.588 50 0 FHAAHN Cc1c(NCc2ccccn2)cccc1C(=O)N(C)C[C@H]1CCCCN1C ZINC000055368954 571120026 /nfs/dbraw/zinc/12/00/26/571120026.db2.gz CSNZTCJILPMZDP-LJQANCHMSA-N 0 3 366.509 3.558 50 0 FHAAHN Fc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCCC3)nc2)cc1 ZINC000042226037 571120554 /nfs/dbraw/zinc/12/05/54/571120554.db2.gz AWVBFAYTFHLNBP-UHFFFAOYSA-N 0 3 351.429 3.501 50 0 FHAAHN CC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000010281509 571124835 /nfs/dbraw/zinc/12/48/35/571124835.db2.gz GFTBSZXAWFOQOQ-UHFFFAOYSA-N 0 3 365.477 3.561 50 0 FHAAHN OCCCCNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000247799813 571125919 /nfs/dbraw/zinc/12/59/19/571125919.db2.gz UPTRQHFNIDCPCQ-UHFFFAOYSA-N 0 3 370.884 3.509 50 0 FHAAHN C[C@H](O)c1ccc(-c2ccc(CNCCCOc3ccccn3)o2)cc1 ZINC000248381325 571129034 /nfs/dbraw/zinc/12/90/34/571129034.db2.gz STUUBGCLXHLDKO-INIZCTEOSA-N 0 3 352.434 3.954 50 0 FHAAHN CC[C@@H](NCc1cc(=O)n2nc(C)sc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000051993291 571129214 /nfs/dbraw/zinc/12/92/14/571129214.db2.gz QWNUXDLTHFSLMA-SJFHUFEGSA-N 0 3 372.538 3.544 50 0 FHAAHN CC[C@H](NC(=O)N[C@H]1CCCN(CC)C1)c1ccccc1OC(F)F ZINC000052526921 571146159 /nfs/dbraw/zinc/14/61/59/571146159.db2.gz WAAUDJCZRCGXOQ-ZFWWWQNUSA-N 0 3 355.429 3.523 50 0 FHAAHN CSc1nccn1-c1ccc(C(=O)Nc2ccccc2CN(C)C)cc1 ZINC000052666149 571148392 /nfs/dbraw/zinc/14/83/92/571148392.db2.gz PQQCNLJQTNRDCH-UHFFFAOYSA-N 0 3 366.490 3.908 50 0 FHAAHN Cc1noc(C(C)C)c1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000025540758 571148657 /nfs/dbraw/zinc/14/86/57/571148657.db2.gz QVZRBLKJRORIKY-IBGZPJMESA-N 0 3 369.509 3.919 50 0 FHAAHN CCOc1ccc(CC(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023016884 571153176 /nfs/dbraw/zinc/15/31/76/571153176.db2.gz FAWWQYZUNYECHJ-UHFFFAOYSA-N 0 3 372.534 3.718 50 0 FHAAHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)cc2)cc1 ZINC000026311140 571160893 /nfs/dbraw/zinc/16/08/93/571160893.db2.gz XFLSLYDNIUFELU-KRWDZBQOSA-N 0 3 360.523 3.876 50 0 FHAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(-c2ccsc2)cc1 ZINC000575615966 571169344 /nfs/dbraw/zinc/16/93/44/571169344.db2.gz KARAXEPWUPFOHI-HXUWFJFHSA-N 0 3 370.518 3.646 50 0 FHAAHN OC[C@@]1(O)CCCN(Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000072120880 571170116 /nfs/dbraw/zinc/17/01/16/571170116.db2.gz CVENJRORGGSIBY-GOSISDBHSA-N 0 3 370.276 3.963 50 0 FHAAHN COc1cccc(OC[C@@H]2CCCN(Cc3ccc(O)c(OC)c3)C2)c1 ZINC000072164367 571176475 /nfs/dbraw/zinc/17/64/75/571176475.db2.gz ZQORNXSFFUMLOW-QGZVFWFLSA-N 0 3 357.450 3.700 50 0 FHAAHN Cc1nc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072168179 571176988 /nfs/dbraw/zinc/17/69/88/571176988.db2.gz DTYOXKYZWSFLKY-KRWDZBQOSA-N 0 3 359.477 3.974 50 0 FHAAHN Cc1nc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072168178 571177088 /nfs/dbraw/zinc/17/70/88/571177088.db2.gz DTYOXKYZWSFLKY-QGZVFWFLSA-N 0 3 359.477 3.974 50 0 FHAAHN C[C@H](C1CCN(Cc2c(F)ccc(Cl)c2F)CC1)N1CCOCC1 ZINC000072427953 571194824 /nfs/dbraw/zinc/19/48/24/571194824.db2.gz XSDGKNLPPPPSHH-CYBMUJFWSA-N 0 3 358.860 3.551 50 0 FHAAHN CN(C)CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)C1CCCCC1 ZINC000072473474 571198586 /nfs/dbraw/zinc/19/85/86/571198586.db2.gz DDZQGEXHLZFVKE-UHFFFAOYSA-N 0 3 360.542 3.727 50 0 FHAAHN CC(C)n1cnnc1[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552512 571199948 /nfs/dbraw/zinc/19/99/48/571199948.db2.gz IFNDZYPMKJWRBP-AWEZNQCLSA-N 0 3 356.499 3.690 50 0 FHAAHN COc1ccc(CN(Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1 ZINC000033268818 571203949 /nfs/dbraw/zinc/20/39/49/571203949.db2.gz AOWUGKGGOFXUNA-UHFFFAOYSA-N 0 3 371.506 3.731 50 0 FHAAHN Cc1ccc([C@H](NC(=O)N(C)CCN2CCCC2)c2cccnc2)cc1C ZINC000534636224 571206867 /nfs/dbraw/zinc/20/68/67/571206867.db2.gz WZTQHWDEMNAOEN-NRFANRHFSA-N 0 3 366.509 3.525 50 0 FHAAHN COCc1c(C)onc1C(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 ZINC000077353562 571208383 /nfs/dbraw/zinc/20/83/83/571208383.db2.gz CTSYFBYRECSWBX-LJQANCHMSA-N 0 3 371.481 3.558 50 0 FHAAHN O=C(c1cccc(-c2ccnc3ccccc32)c1)N1CCN2CCC[C@@H]2C1 ZINC000534673034 571208664 /nfs/dbraw/zinc/20/86/64/571208664.db2.gz RUYJAJICAHSFNV-LJQANCHMSA-N 0 3 357.457 3.822 50 0 FHAAHN CN(C[C@H]1CCCCN1C)C(=O)c1cccc(-c2cnc(N)c(Cl)c2)c1 ZINC000534673025 571208767 /nfs/dbraw/zinc/20/87/67/571208767.db2.gz FOQHSKAMJGNONG-QGZVFWFLSA-N 0 3 372.900 3.541 50 0 FHAAHN O=C(NCC1CCN(Cc2ccco2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000023128006 571217432 /nfs/dbraw/zinc/21/74/32/571217432.db2.gz DMNBOHKBWONAEN-UHFFFAOYSA-N 0 3 356.510 3.824 50 0 FHAAHN CC(C)Oc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023128001 571217449 /nfs/dbraw/zinc/21/74/49/571217449.db2.gz YRGAWFIGNVIXNR-UHFFFAOYSA-N 0 3 356.466 3.709 50 0 FHAAHN O=C1CC[C@]2(CCCN(Cc3ccoc3)C2)CN1CCc1ccccc1 ZINC000082091261 571227893 /nfs/dbraw/zinc/22/78/93/571227893.db2.gz BGNKXPMYGNNLFA-QFIPXVFZSA-N 0 3 352.478 3.727 50 0 FHAAHN Cc1c(F)cccc1CN1CCC(c2nnc(CN(C)C)n2C2CC2)CC1 ZINC000082092458 571227896 /nfs/dbraw/zinc/22/78/96/571227896.db2.gz MUBBGRQCMZKGDI-UHFFFAOYSA-N 0 3 371.504 3.502 50 0 FHAAHN CCOc1cc(CN2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)ccc1OC ZINC000082137231 571229018 /nfs/dbraw/zinc/22/90/18/571229018.db2.gz NJVDDIYMNTUNSF-JOCHJYFZSA-N 0 3 374.525 3.707 50 0 FHAAHN COc1cc(Cl)cc2cc(C(=O)N3CCCC[C@H](N(C)C)C3)oc21 ZINC000082139257 571229334 /nfs/dbraw/zinc/22/93/34/571229334.db2.gz HGGANRICHMQLMP-AWEZNQCLSA-N 0 3 350.846 3.651 50 0 FHAAHN CC[C@H](C)N(Cc1cccn1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036098153 571241019 /nfs/dbraw/zinc/24/10/19/571241019.db2.gz 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O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc(-c2ccccc2)on1 ZINC000011905196 570711508 /nfs/dbraw/zinc/71/15/08/570711508.db2.gz YHBPFSLYJPTCCC-FQEVSTJZSA-N 0 3 361.445 3.909 50 0 FHAAHN O=C(CCc1ccsc1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011999594 570713597 /nfs/dbraw/zinc/71/35/97/570713597.db2.gz OKKDYZBSTAYNQZ-HXUWFJFHSA-N 0 3 356.535 3.894 50 0 FHAAHN CCN(CC)CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000014956433 570826939 /nfs/dbraw/zinc/82/69/39/570826939.db2.gz PMBVUZZROSQHAK-GOSISDBHSA-N 0 3 368.525 3.652 50 0 FHAAHN Cc1ccc(C)c(CS(=O)(=O)C(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000032929571 570870303 /nfs/dbraw/zinc/87/03/03/570870303.db2.gz FIADSBCDYZIZEL-KLICCBINSA-N 0 3 365.539 3.548 50 0 FHAAHN CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000045974105 570917001 /nfs/dbraw/zinc/91/70/01/570917001.db2.gz OTDRVPYCWXYOIG-UHFFFAOYSA-N 0 3 365.477 3.814 50 0 FHAAHN O=C(c1ccccc1-c1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000047851445 570931365 /nfs/dbraw/zinc/93/13/65/570931365.db2.gz 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/nfs/dbraw/zinc/10/48/68/571104868.db2.gz UFRZHGCSEJTDNG-SFHVURJKSA-N 0 3 355.507 3.901 50 0 FHAAHN CCN1CCN(c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 ZINC000009366748 571106498 /nfs/dbraw/zinc/10/64/98/571106498.db2.gz HCRADJSQOPDTPP-UHFFFAOYSA-N 0 3 355.457 3.539 50 0 FHAAHN COc1cc2c(cc1OC)[C@H](COc1cccc3cccnc31)NCC2 ZINC000041127970 571108156 /nfs/dbraw/zinc/10/81/56/571108156.db2.gz KDZXNIBIDXOJDH-KRWDZBQOSA-N 0 3 350.418 3.518 50 0 FHAAHN Cc1ccc(CN(C)C(=O)NCC2CCN(Cc3cccs3)CC2)nc1 ZINC000241231189 571109713 /nfs/dbraw/zinc/10/97/13/571109713.db2.gz KSWOXMDWGYVVED-UHFFFAOYSA-N 0 3 372.538 3.505 50 0 FHAAHN COc1ccc(OC)c(NC(=O)CCN2CCCC[C@@H]2c2ccccn2)c1 ZINC000244748575 571115902 /nfs/dbraw/zinc/11/59/02/571115902.db2.gz OJXSKJDFORYLLC-LJQANCHMSA-N 0 3 369.465 3.655 50 0 FHAAHN COc1cccc2c1OCCCN(CCC(=O)N[C@@H](C)c1ccccc1)C2 ZINC000244763988 571116195 /nfs/dbraw/zinc/11/61/95/571116195.db2.gz OZFNQZHHEWRZEA-KRWDZBQOSA-N 0 3 368.477 3.547 50 0 FHAAHN 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C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](CO)c2cc(F)c(F)c(F)c2)C1 ZINC000090812897 571189632 /nfs/dbraw/zinc/18/96/32/571189632.db2.gz MYGPGIAZWSVKRK-AZOIQLNYSA-N 0 3 364.411 3.562 50 0 FHAAHN Cc1ncsc1CCN(C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000072462618 571197841 /nfs/dbraw/zinc/19/78/41/571197841.db2.gz QKNRDJUTLUGUJJ-UHFFFAOYSA-N 0 3 363.490 3.836 50 0 FHAAHN CC(=O)c1cc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cs1 ZINC000072477555 571199258 /nfs/dbraw/zinc/19/92/58/571199258.db2.gz CVRYKUQZEQTHAG-UHFFFAOYSA-N 0 3 368.502 3.614 50 0 FHAAHN CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1 ZINC000006517579 571206640 /nfs/dbraw/zinc/20/66/40/571206640.db2.gz UYDLEWMYCZRFFW-UHFFFAOYSA-N 0 3 367.424 3.828 50 0 FHAAHN Nc1ccnc2ccc(-c3ccc(C(=O)NCC4CCOCC4)cc3)cc12 ZINC000534636253 571206859 /nfs/dbraw/zinc/20/68/59/571206859.db2.gz HSTJVRFKHPZXQU-UHFFFAOYSA-N 0 3 361.445 3.640 50 0 FHAAHN CC(C)(C)c1cc(-c2nccn2[C@H]2CCCN(Cc3cccnc3)C2)n[nH]1 ZINC000077380386 571209670 /nfs/dbraw/zinc/20/96/70/571209670.db2.gz 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CC(C)c1cc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)no1 ZINC000158178866 571236605 /nfs/dbraw/zinc/23/66/05/571236605.db2.gz BFTGHGPKNRVJGT-LPHOPBHVSA-N 0 3 355.482 3.781 50 0 FHAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1[C@@H]3CCc4ccccc4C3=NN12 ZINC000004812629 571237923 /nfs/dbraw/zinc/23/79/23/571237923.db2.gz COBOEWUKKRMQNZ-KNQAVFIVSA-N 0 3 359.473 3.824 50 0 FHAAHN COc1ccc(OC[C@H](O)CN(Cc2ccc(C)cc2C)C2CC2)cc1 ZINC000036098964 571241402 /nfs/dbraw/zinc/24/14/02/571241402.db2.gz OCLIQBGMQHKJIJ-HXUWFJFHSA-N 0 3 355.478 3.716 50 0 FHAAHN CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000091695053 571242509 /nfs/dbraw/zinc/24/25/09/571242509.db2.gz OSGSKBTVPWLRLQ-KRWDZBQOSA-N 0 3 372.557 3.778 50 0 FHAAHN CC(C)[C@@H](NC(=O)N1CCC(N2CCSCC2)CC1)c1ccccc1 ZINC000584890571 571314483 /nfs/dbraw/zinc/31/44/83/571314483.db2.gz WJSXJEGYKXWIEV-LJQANCHMSA-N 0 3 361.555 3.607 50 0 FHAAHN CCN1CCN(c2ccc(N[C@@H](C)c3nc(C4CC4)no3)c(C)c2)CC1 ZINC000055151715 571320935 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O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)c1onc2c1CCCC2 ZINC000670435723 571346849 /nfs/dbraw/zinc/34/68/49/571346849.db2.gz HKYIZDORFDEYTA-FQEVSTJZSA-N 0 3 367.493 3.901 50 0 FHAAHN COc1cccc(CN(CC(C)C)C(=O)NC[C@@H]2CCCN2C(C)C)c1 ZINC000670441183 571348866 /nfs/dbraw/zinc/34/88/66/571348866.db2.gz ILEUAZJPRSKSIO-IBGZPJMESA-N 0 3 361.530 3.736 50 0 FHAAHN CN1CCC(C(=O)NCCCc2ccccc2F)(c2ccccc2)CC1 ZINC000670442350 571349528 /nfs/dbraw/zinc/34/95/28/571349528.db2.gz FUTUGHQHXBHSGI-UHFFFAOYSA-N 0 3 354.469 3.538 50 0 FHAAHN O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1cccc(Cl)c1 ZINC000004310028 571357802 /nfs/dbraw/zinc/35/78/02/571357802.db2.gz HUADOTDIDMFKCD-ANCGMVAHSA-N 0 3 358.869 3.530 50 0 FHAAHN COc1ccc([C@H](NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)C2CC2)cc1 ZINC000230113611 932883349 /nfs/dbraw/zinc/88/33/49/932883349.db2.gz UPERYMFWBACBCB-SAWYMBPVSA-N 0 3 356.510 3.917 50 0 FHAAHN CC[C@H](C)n1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C ZINC000252478644 938832959 /nfs/dbraw/zinc/83/29/59/938832959.db2.gz 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Cc1ccc(-n2cc(CN3CCC[C@H]3CO)c(-c3ccc(F)cc3)n2)cc1 ZINC000011878426 570710846 /nfs/dbraw/zinc/71/08/46/570710846.db2.gz KXXGFUHFDUURBI-NRFANRHFSA-N 0 3 365.452 3.944 50 0 FHAAHN Cc1occc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 ZINC000011874593 570710910 /nfs/dbraw/zinc/71/09/10/570710910.db2.gz BBMWFKYKYFDPDP-UHFFFAOYSA-N 0 3 358.457 3.754 50 0 FHAAHN Cc1occc1C(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000011934648 570712015 /nfs/dbraw/zinc/71/20/15/570712015.db2.gz BJUPEIVJTUVQDA-KRWDZBQOSA-N 0 3 358.457 3.754 50 0 FHAAHN COc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OC1CCN(C)CC1 ZINC000011996677 570713605 /nfs/dbraw/zinc/71/36/05/570713605.db2.gz KGTTWEXYBYZVDT-MRXNPFEDSA-N 0 3 368.477 3.659 50 0 FHAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)/C=C/C(C)C)cc1 ZINC000012031127 570714598 /nfs/dbraw/zinc/71/45/98/570714598.db2.gz FSPXQSSCHMHPPX-BJMVGYQFSA-N 0 3 358.526 3.620 50 0 FHAAHN CC(C)C(=O)NC[C@H]1CCC2(CCN(Cc3cccc(Cl)c3)CC2)O1 ZINC000012040764 570715048 /nfs/dbraw/zinc/71/50/48/570715048.db2.gz 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CC(C)N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)C[C@@H]1CCO ZINC000022932778 570953143 /nfs/dbraw/zinc/95/31/43/570953143.db2.gz MXUUGPKVKQPQJV-NRFANRHFSA-N 0 3 350.506 3.535 50 0 FHAAHN CCOc1cc2c(cc1CNC[C@H](c1ccco1)N1CCCC1)O[C@H](C)C2 ZINC000022933801 570954034 /nfs/dbraw/zinc/95/40/34/570954034.db2.gz CUOMTNSDJHCUTN-VQIMIIECSA-N 0 3 370.493 3.928 50 0 FHAAHN O=C(NCCNc1cccnc1)c1ccc([C@H]2CCCN2C2CCC2)s1 ZINC000023398064 570963270 /nfs/dbraw/zinc/96/32/70/570963270.db2.gz AOORYBWMNKZYDR-QGZVFWFLSA-N 0 3 370.522 3.674 50 0 FHAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4n3)c(C)c2)CC1 ZINC000025184946 570991951 /nfs/dbraw/zinc/99/19/51/570991951.db2.gz PIBBRTJCZPGXMS-UHFFFAOYSA-N 0 3 374.488 3.937 50 0 FHAAHN C[C@@H](C(=O)NC1CCCCC1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000026114169 571003070 /nfs/dbraw/zinc/00/30/70/571003070.db2.gz NMYSKEHYZXNNRD-KRWDZBQOSA-N 0 3 358.526 3.874 50 0 FHAAHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cccs2)cc1 ZINC000026310922 571004544 /nfs/dbraw/zinc/00/45/44/571004544.db2.gz 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/nfs/dbraw/zinc/05/53/20/571055320.db2.gz WKYKFWNIOINETO-GOSISDBHSA-N 0 3 362.395 3.949 50 0 FHAAHN CC(=O)c1cccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c1 ZINC000008764339 571060653 /nfs/dbraw/zinc/06/06/53/571060653.db2.gz KNOKMRKWVSKSJZ-QFIPXVFZSA-N 0 3 368.477 3.907 50 0 FHAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccoc1 ZINC000012385578 571063727 /nfs/dbraw/zinc/06/37/27/571063727.db2.gz PZGLPBBDDKNTKT-LJQANCHMSA-N 0 3 370.493 3.705 50 0 FHAAHN O=C(c1ccccc1)N1CC[C@H](CN[C@H](c2ccccc2)c2ccccn2)C1 ZINC000225770894 571064475 /nfs/dbraw/zinc/06/44/75/571064475.db2.gz FBOGFRDZMNOUJC-AUSIDOKSSA-N 0 3 371.484 3.923 50 0 FHAAHN CN(C)Cc1cccc(CNC(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000043602178 571065493 /nfs/dbraw/zinc/06/54/93/571065493.db2.gz AYCULOVVINPWBH-UHFFFAOYSA-N 0 3 373.526 3.969 50 0 FHAAHN C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)NC(=O)NC(C)(C)C ZINC000040002633 571067250 /nfs/dbraw/zinc/06/72/50/571067250.db2.gz ZZRCCBMZLYLCCO-VQIMIIECSA-N 0 3 367.493 3.573 50 0 FHAAHN CCOc1ccccc1CNCC[C@](O)(c1ccc(C)o1)C(F)(F)F ZINC000040088622 571074332 /nfs/dbraw/zinc/07/43/32/571074332.db2.gz SZITWVNRXRHMNN-KRWDZBQOSA-N 0 3 357.372 3.917 50 0 FHAAHN COc1ccc(OC)c(CNCCCNc2ccc(C(F)(F)F)cn2)c1 ZINC000040088633 571074337 /nfs/dbraw/zinc/07/43/37/571074337.db2.gz XOIOZEIBSJSFHB-UHFFFAOYSA-N 0 3 369.387 3.709 50 0 FHAAHN Fc1ccc(-c2n[nH]cc2CNCc2ccccc2Cn2ccnc2)cc1 ZINC000040091400 571075051 /nfs/dbraw/zinc/07/50/51/571075051.db2.gz QKEBWQQBSMVELD-UHFFFAOYSA-N 0 3 361.424 3.750 50 0 FHAAHN CC(=O)c1cc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000039551022 571089773 /nfs/dbraw/zinc/08/97/73/571089773.db2.gz DBLOIYKCZFAVBN-IBGZPJMESA-N 0 3 354.519 3.672 50 0 FHAAHN COCc1c(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)sc2cccc(F)c21 ZINC000229713875 571095048 /nfs/dbraw/zinc/09/50/48/571095048.db2.gz WNAUNNQWHHAPLQ-CABCVRRESA-N 0 3 362.470 3.543 50 0 FHAAHN COc1cc(CNCCO)cc(Cl)c1OCc1c(F)cccc1Cl ZINC000040742626 571095496 /nfs/dbraw/zinc/09/54/96/571095496.db2.gz CVVURXTUGXPENA-UHFFFAOYSA-N 0 3 374.239 3.802 50 0 FHAAHN Cc1ccccc1COc1ccc(Br)cc1CNC[C@H](C)O ZINC000040744034 571096012 /nfs/dbraw/zinc/09/60/12/571096012.db2.gz GKYSEUKGINKVLK-AWEZNQCLSA-N 0 3 364.283 3.807 50 0 FHAAHN OCCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000040744892 571096501 /nfs/dbraw/zinc/09/65/01/571096501.db2.gz QKQOWRWIUBOXET-UHFFFAOYSA-N 0 3 368.246 3.639 50 0 FHAAHN CCN1CCC[C@H]1CNC(=O)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211386 571101231 /nfs/dbraw/zinc/10/12/31/571101231.db2.gz ZQLCQDBTTMOTRM-ZDUSSCGKSA-N 0 3 362.564 3.815 50 0 FHAAHN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)NC3(C)C)cc1 ZINC000004275253 571101694 /nfs/dbraw/zinc/10/16/94/571101694.db2.gz UGFWTLOPKVJLIV-UHFFFAOYSA-N 0 3 371.506 3.567 50 0 FHAAHN C[C@H]1CN(CCC(=O)c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000239439241 571108429 /nfs/dbraw/zinc/10/84/29/571108429.db2.gz ZQDSJXICMNDKBG-QFBILLFUSA-N 0 3 351.446 3.766 50 0 FHAAHN COc1cc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)ccc1C ZINC000239722497 571108608 /nfs/dbraw/zinc/10/86/08/571108608.db2.gz 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571119012 /nfs/dbraw/zinc/11/90/12/571119012.db2.gz AJPQLHOKRRLUMH-IRXDYDNUSA-N 0 3 366.288 3.877 50 0 FHAAHN COc1cccc([C@H]2CCN(CCC(=O)Nc3ccccc3F)C2)c1OC ZINC000244899821 571120120 /nfs/dbraw/zinc/12/01/20/571120120.db2.gz ZRBNZPXVXFQHBV-HNNXBMFYSA-N 0 3 372.440 3.661 50 0 FHAAHN COc1ccc2cc(C(=O)NCc3ccccc3CN(C)C)c(C)nc2c1 ZINC000009917572 571120858 /nfs/dbraw/zinc/12/08/58/571120858.db2.gz TVSZOKFWVZYEOS-UHFFFAOYSA-N 0 3 363.461 3.543 50 0 FHAAHN CCCn1nc(CNCCc2ccccc2OC)c(-c2ccccc2)n1 ZINC000247987349 571127019 /nfs/dbraw/zinc/12/70/19/571127019.db2.gz JERTVOMCHHYWDH-UHFFFAOYSA-N 0 3 350.466 3.696 50 0 FHAAHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc(=O)[n-]1 ZINC000072143448 571172417 /nfs/dbraw/zinc/17/24/17/571172417.db2.gz RQEOECWQEWIQGP-GOSISDBHSA-N 0 3 367.493 3.779 50 0 FHAAHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)cc(=O)[n-]1 ZINC000072143448 571172419 /nfs/dbraw/zinc/17/24/19/571172419.db2.gz RQEOECWQEWIQGP-GOSISDBHSA-N 0 3 367.493 3.779 50 0 FHAAHN CCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000072147403 571173693 /nfs/dbraw/zinc/17/36/93/571173693.db2.gz XYBUPWVMBLVRSE-UHFFFAOYSA-N 0 3 368.481 3.609 50 0 FHAAHN COc1c[nH]c(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cc1=O ZINC000072166645 571176780 /nfs/dbraw/zinc/17/67/80/571176780.db2.gz BJHZUQGFMMPROB-LJQANCHMSA-N 0 3 355.482 3.585 50 0 FHAAHN CC(C)n1ccnc1CN1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072174249 571177745 /nfs/dbraw/zinc/17/77/45/571177745.db2.gz ZBVDPZMMVWGGKS-KSEOMHKRSA-N 0 3 368.500 3.665 50 0 FHAAHN CN(C)C[C@H]1CSCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000090608935 571179866 /nfs/dbraw/zinc/17/98/66/571179866.db2.gz KEEUIFJUXYSBAB-AWEZNQCLSA-N 0 3 361.433 3.606 50 0 FHAAHN CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1ccc(C)c(F)c1C ZINC000072425957 571194534 /nfs/dbraw/zinc/19/45/34/571194534.db2.gz XNRJSULNVAGUNU-FQEVSTJZSA-N 0 3 367.472 3.920 50 0 FHAAHN CC(C)c1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)no1 ZINC000072448225 571197327 /nfs/dbraw/zinc/19/73/27/571197327.db2.gz 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ZINC000022037507 220375860 /nfs/dbraw/zinc/37/58/60/220375860.db2.gz YTGKMIKBHOVMKM-OAQYLSRUSA-N 0 3 367.493 3.500 50 0 FHAAHN CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c1=O ZINC000022697158 220395885 /nfs/dbraw/zinc/39/58/85/220395885.db2.gz VDKLRGMEQDPZPU-FQEVSTJZSA-N 0 3 358.457 3.843 50 0 FHAAHN CN(CCC(=O)Nc1ccccc1)Cc1cc(Br)cs1 ZINC000048575411 221014528 /nfs/dbraw/zinc/01/45/28/221014528.db2.gz WLZIVBUBCCEAEV-UHFFFAOYSA-N 0 3 353.285 3.971 50 0 FHAAHN Cc1nnc(SCCCNCc2cnc(-c3cccc(C)c3)nc2)s1 ZINC000055054585 221057674 /nfs/dbraw/zinc/05/76/74/221057674.db2.gz WVOOPZYDKCKTFY-UHFFFAOYSA-N 0 3 371.535 3.884 50 0 FHAAHN CN(CCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000054761770 221055785 /nfs/dbraw/zinc/05/57/85/221055785.db2.gz MWSPFSWORZCJRX-JKSUJKDBSA-N 0 3 357.420 3.539 50 0 FHAAHN COc1ccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)cc1O ZINC000057991201 221096972 /nfs/dbraw/zinc/09/69/72/221096972.db2.gz SMMAKSWHTFKMEU-UHFFFAOYSA-N 0 3 360.885 3.808 50 0 FHAAHN CC[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)N1CCc2ccccc2C1 ZINC000058014218 221097544 /nfs/dbraw/zinc/09/75/44/221097544.db2.gz XNWJYNCWVLCDBN-XMSQKQJNSA-N 0 3 366.505 3.545 50 0 FHAAHN CC(C)(C)C[C@@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000060877089 221132759 /nfs/dbraw/zinc/13/27/59/221132759.db2.gz ZUXCQUVTICOGMY-ICSRJNTNSA-N 0 3 357.542 3.530 50 0 FHAAHN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000061600592 221133243 /nfs/dbraw/zinc/13/32/43/221133243.db2.gz NVXGPWPUHQINDK-ZBFHGGJFSA-N 0 3 372.513 3.585 50 0 FHAAHN CSc1ccc(CNC(=O)C2=CCN(Cc3ccccc3)CC2)cc1 ZINC000064817963 221152488 /nfs/dbraw/zinc/15/24/88/221152488.db2.gz IJWJJRMEGGTBSQ-UHFFFAOYSA-N 0 3 352.503 3.857 50 0 FHAAHN CCOc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000065364731 221203518 /nfs/dbraw/zinc/20/35/18/221203518.db2.gz VTRIRFYJWCJUJV-UHFFFAOYSA-N 0 3 354.450 3.811 50 0 FHAAHN CCCCc1c(-c2ccccc2)ncn1C[C@H](CC)N1CCN(C)CC1 ZINC000065409875 221215864 /nfs/dbraw/zinc/21/58/64/221215864.db2.gz 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