smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004986700 206239707 /nfs/dbraw/zinc/23/97/07/206239707.db2.gz KBOCLJJROCYOSI-UHFFFAOYSA-N 2 1 359.311 4.203 50 0 FIAAMP CC(C)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011842449 570596278 /nfs/dbraw/zinc/59/62/78/570596278.db2.gz FFFUMZSKNYOTOM-OAQYLSRUSA-N 2 1 362.533 4.175 50 0 FIAAMP C[N@@H+](CCCC(F)(F)F)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012058548 570715998 /nfs/dbraw/zinc/71/59/98/570715998.db2.gz NLPGSOAIJXXUES-UHFFFAOYSA-N 2 1 360.439 4.355 50 0 FIAAMP CC(C)[C@@H]1C[C@](CC[NH2+]C2CC[NH+](C)CC2)(Cc2ccccc2)CCO1 ZINC000009047116 571093870 /nfs/dbraw/zinc/09/38/70/571093870.db2.gz FVOUTONKTROUNU-GOTSBHOMSA-N 2 1 358.570 4.124 50 0 FIAAMP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000091690859 571242360 /nfs/dbraw/zinc/24/23/60/571242360.db2.gz DZNYGNVBMDNLPX-ISKFKSNPSA-N 2 1 367.581 4.013 50 0 FIAAMP C[C@@H](C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000170595396 571266409 /nfs/dbraw/zinc/26/64/09/571266409.db2.gz GNXSYFZYIMSNLY-LBPRGKRZSA-N 2 1 359.739 4.265 50 0 FIAAMP Cc1ccc(COc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)cc1 ZINC000097287793 571336994 /nfs/dbraw/zinc/33/69/94/571336994.db2.gz MHKCOHSLJVIFPA-OAQYLSRUSA-N 2 1 350.506 4.148 50 0 FIAAMP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007443169 204298655 /nfs/dbraw/zinc/29/86/55/204298655.db2.gz YLUJEXGWJSLLJP-LJQANCHMSA-N 2 1 369.534 4.120 50 0 FIAAMP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007443169 204298659 /nfs/dbraw/zinc/29/86/59/204298659.db2.gz YLUJEXGWJSLLJP-LJQANCHMSA-N 2 1 369.534 4.120 50 0 FIAAMP c1coc(-c2cc(C3CC[NH+](C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)[nH]n2)c1 ZINC000055245067 205211426 /nfs/dbraw/zinc/21/14/26/205211426.db2.gz BQHLVWVESIQTMY-GHTZIAJQSA-N 2 1 368.525 4.114 50 0 FIAAMP c1coc(-c2cc(C3CC[NH+](C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)[nH]n2)c1 ZINC000055245067 205211430 /nfs/dbraw/zinc/21/14/30/205211430.db2.gz BQHLVWVESIQTMY-GHTZIAJQSA-N 2 1 368.525 4.114 50 0 FIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785493 206181494 /nfs/dbraw/zinc/18/14/94/206181494.db2.gz RTMYNEJVZJZFHI-REHUZNOOSA-N 2 1 366.549 4.473 50 0 FIAAMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC(F)(F)CC2)C1 ZINC000215404463 206345980 /nfs/dbraw/zinc/34/59/80/206345980.db2.gz HBWAEGUGDZNIJV-QGZVFWFLSA-N 2 1 352.469 4.028 50 0 FIAAMP CCCc1nc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc(C)[nH+]1 ZINC000095523797 132214374 /nfs/dbraw/zinc/21/43/74/132214374.db2.gz VFDCXKDMVZUPLN-UHFFFAOYSA-N 2 1 372.944 4.192 50 0 FIAAMP COCC[N@@H+](CC1CCCC1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020451312 523687521 /nfs/dbraw/zinc/68/75/21/523687521.db2.gz ANGIQLVZFRWOEJ-OAQYLSRUSA-N 2 1 370.581 4.004 50 0 FIAAMP COCC[NH+](CC1CCCC1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020451312 523687532 /nfs/dbraw/zinc/68/75/32/523687532.db2.gz ANGIQLVZFRWOEJ-OAQYLSRUSA-N 2 1 370.581 4.004 50 0 FIAAMP COCC[NH+](CC1CCCC1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020451312 523687539 /nfs/dbraw/zinc/68/75/39/523687539.db2.gz ANGIQLVZFRWOEJ-OAQYLSRUSA-N 2 1 370.581 4.004 50 0 FIAAMP CCn1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000014966449 568278320 /nfs/dbraw/zinc/27/83/20/568278320.db2.gz BIZPLUFECWEKSC-JOCHJYFZSA-N 2 1 358.574 4.080 50 0 FIAAMP CCc1ccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)nc1 ZINC000091987092 570444042 /nfs/dbraw/zinc/44/40/42/570444042.db2.gz APZCBWJZNGNPPY-JOCHJYFZSA-N 2 1 363.549 4.346 50 0 FIAAMP C[N@@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011667112 570705145 /nfs/dbraw/zinc/70/51/45/570705145.db2.gz OBIVEVRZSWHAQJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[N@H+](Cc1ccncc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011667112 570705147 /nfs/dbraw/zinc/70/51/47/570705147.db2.gz OBIVEVRZSWHAQJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667112 570705148 /nfs/dbraw/zinc/70/51/48/570705148.db2.gz OBIVEVRZSWHAQJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1ccncc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667112 570705150 /nfs/dbraw/zinc/70/51/50/570705150.db2.gz OBIVEVRZSWHAQJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP CC(C)CCc1noc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012459225 570747506 /nfs/dbraw/zinc/74/75/06/570747506.db2.gz MTRLGKUTELNIMU-UHFFFAOYSA-N 2 1 370.541 4.002 50 0 FIAAMP CC(C)CCc1noc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012459225 570747509 /nfs/dbraw/zinc/74/75/09/570747509.db2.gz MTRLGKUTELNIMU-UHFFFAOYSA-N 2 1 370.541 4.002 50 0 FIAAMP C[N@@H+](CCn1ccc2ccccc21)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000670439934 571348531 /nfs/dbraw/zinc/34/85/31/571348531.db2.gz WWIHLZFOIBWYBY-UHFFFAOYSA-N 2 1 353.535 4.431 50 0 FIAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011770 1090886973 /nfs/dbraw/zinc/88/69/73/1090886973.db2.gz BROQWLKOKLDXMP-QFIPXVFZSA-N 2 1 358.574 4.257 50 0 FIAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011770 1090886983 /nfs/dbraw/zinc/88/69/83/1090886983.db2.gz BROQWLKOKLDXMP-QFIPXVFZSA-N 2 1 358.574 4.257 50 0 FIAAMP CCc1ccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)nc1 ZINC000091987091 570443938 /nfs/dbraw/zinc/44/39/38/570443938.db2.gz APZCBWJZNGNPPY-QFIPXVFZSA-N 2 1 363.549 4.346 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431744 571195873 /nfs/dbraw/zinc/19/58/73/571195873.db2.gz GCCWZZJIWOJISG-QFIPXVFZSA-N 2 1 369.553 4.340 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431744 571195874 /nfs/dbraw/zinc/19/58/74/571195874.db2.gz GCCWZZJIWOJISG-QFIPXVFZSA-N 2 1 369.553 4.340 50 0 FIAAMP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1c[nH]nc1-c1ccccc1 ZINC000215938694 206351333 /nfs/dbraw/zinc/35/13/33/206351333.db2.gz QSSVCYKGMKHPLS-UHFFFAOYSA-N 2 1 366.534 4.366 50 0 FIAAMP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1c[nH]nc1-c1ccccc1 ZINC000215938694 206351336 /nfs/dbraw/zinc/35/13/36/206351336.db2.gz QSSVCYKGMKHPLS-UHFFFAOYSA-N 2 1 366.534 4.366 50 0 FIAAMP N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000381071777 570523977 /nfs/dbraw/zinc/52/39/77/570523977.db2.gz PMVUKWUXUVWXEP-ZEQRLZLVSA-N 2 1 358.485 4.192 50 0 FIAAMP N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000381071777 570523981 /nfs/dbraw/zinc/52/39/81/570523981.db2.gz PMVUKWUXUVWXEP-ZEQRLZLVSA-N 2 1 358.485 4.192 50 0 FIAAMP CC[N@@H+](Cc1ccc(O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011873291 570710238 /nfs/dbraw/zinc/71/02/38/570710238.db2.gz NQLJNIURVHLKPA-NRFANRHFSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[N@H+](Cc1ccc(O)cc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011873291 570710243 /nfs/dbraw/zinc/71/02/43/570710243.db2.gz NQLJNIURVHLKPA-NRFANRHFSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[NH+](Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011873291 570710247 /nfs/dbraw/zinc/71/02/47/570710247.db2.gz NQLJNIURVHLKPA-NRFANRHFSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[NH+](Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011873291 570710251 /nfs/dbraw/zinc/71/02/51/570710251.db2.gz NQLJNIURVHLKPA-NRFANRHFSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[N@H+](Cc1cccc(O)c1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000011956889 570713459 /nfs/dbraw/zinc/71/34/59/570713459.db2.gz QYMFKRSMPYUAFQ-UHFFFAOYSA-N 2 1 366.549 4.477 50 0 FIAAMP C[C@H](C1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1)[NH+]1CCCC1 ZINC000072422886 571193525 /nfs/dbraw/zinc/19/35/25/571193525.db2.gz OKXLSJJAGQVETA-GOSISDBHSA-N 2 1 361.599 4.040 50 0 FIAAMP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624015226 1111698340 /nfs/dbraw/zinc/69/83/40/1111698340.db2.gz SJHCHQGDEQWRGE-UZLBHIALSA-N 2 1 373.928 4.042 50 0 FIAAMP C[NH2+]CCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008376916 204328995 /nfs/dbraw/zinc/32/89/95/204328995.db2.gz GTHWHIWGBHNOMS-UHFFFAOYSA-N 2 1 352.453 4.257 50 0 FIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756206 206306402 /nfs/dbraw/zinc/30/64/02/206306402.db2.gz RTMYNEJVZJZFHI-SKPFHBQLSA-N 2 1 366.549 4.473 50 0 FIAAMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCC(F)(F)CC3)cc2)C1 ZINC000216202682 206356096 /nfs/dbraw/zinc/35/60/96/206356096.db2.gz MWEJTEFCBCMEOX-QGZVFWFLSA-N 2 1 352.469 4.028 50 0 FIAAMP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]c3c(C)c(C)ccc23)C1 ZINC000095527025 132214580 /nfs/dbraw/zinc/21/45/80/132214580.db2.gz LPBNLGMQETYEOK-SFHVURJKSA-N 2 1 364.493 4.079 50 0 FIAAMP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320790 570736943 /nfs/dbraw/zinc/73/69/43/570736943.db2.gz WJPURXPYRCUOFI-LJQANCHMSA-N 2 1 371.475 4.094 50 0 FIAAMP Fc1cccc(C[NH+]2CCC([C@@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320790 570736945 /nfs/dbraw/zinc/73/69/45/570736945.db2.gz WJPURXPYRCUOFI-LJQANCHMSA-N 2 1 371.475 4.094 50 0 FIAAMP CC[N@H+](Cc1cc2ccccc2o1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012438473 570745459 /nfs/dbraw/zinc/74/54/59/570745459.db2.gz MWFQQZFIOCMKJX-UHFFFAOYSA-N 2 1 369.553 4.061 50 0 FIAAMP CC[N@@H+](Cc1cc2ccccc2o1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012438473 570745464 /nfs/dbraw/zinc/74/54/64/570745464.db2.gz MWFQQZFIOCMKJX-UHFFFAOYSA-N 3 1 369.553 4.061 50 0 FIAAMP CC[N@H+](Cc1cc2ccccc2o1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012438473 570745465 /nfs/dbraw/zinc/74/54/65/570745465.db2.gz MWFQQZFIOCMKJX-UHFFFAOYSA-N 3 1 369.553 4.061 50 0 FIAAMP CCc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472181 570748412 /nfs/dbraw/zinc/74/84/12/570748412.db2.gz DNTCRFQTTGFQLJ-HXUWFJFHSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472181 570748416 /nfs/dbraw/zinc/74/84/16/570748416.db2.gz DNTCRFQTTGFQLJ-HXUWFJFHSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472181 570748419 /nfs/dbraw/zinc/74/84/19/570748419.db2.gz DNTCRFQTTGFQLJ-HXUWFJFHSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472181 570748423 /nfs/dbraw/zinc/74/84/23/570748423.db2.gz DNTCRFQTTGFQLJ-HXUWFJFHSA-N 2 1 370.537 4.237 50 0 FIAAMP CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012470408 570748715 /nfs/dbraw/zinc/74/87/15/570748715.db2.gz HAITZGLHVIOIBI-UHFFFAOYSA-N 2 1 356.510 4.331 50 0 FIAAMP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000014950438 570826548 /nfs/dbraw/zinc/82/65/48/570826548.db2.gz MEFQWDWGYSLLQY-HXUWFJFHSA-N 2 1 372.940 4.432 50 0 FIAAMP C[N@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000014950438 570826551 /nfs/dbraw/zinc/82/65/51/570826551.db2.gz MEFQWDWGYSLLQY-HXUWFJFHSA-N 2 1 372.940 4.432 50 0 FIAAMP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950438 570826554 /nfs/dbraw/zinc/82/65/54/570826554.db2.gz MEFQWDWGYSLLQY-HXUWFJFHSA-N 2 1 372.940 4.432 50 0 FIAAMP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950438 570826557 /nfs/dbraw/zinc/82/65/57/570826557.db2.gz MEFQWDWGYSLLQY-HXUWFJFHSA-N 2 1 372.940 4.432 50 0 FIAAMP CCC[N@@H+](C)CC1(O)CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000257186863 1090300979 /nfs/dbraw/zinc/30/09/79/1090300979.db2.gz KVLGXTDYCCCVIK-UHFFFAOYSA-N 2 1 362.533 4.055 50 0 FIAAMP Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000015072700 220145200 /nfs/dbraw/zinc/14/52/00/220145200.db2.gz LMXLJZLSKORTGG-QHCPKHFHSA-N 2 1 371.569 4.026 50 0 FIAAMP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+]2CCC(F)(F)CC2)C1 ZINC000215404508 206345411 /nfs/dbraw/zinc/34/54/11/206345411.db2.gz HBWAEGUGDZNIJV-KRWDZBQOSA-N 2 1 352.469 4.028 50 0 FIAAMP COc1ccc(C[N@@H+](C)[C@H](C)Cc2ncccc2C)cc1C[NH+]1CCCC1 ZINC000215322759 206345822 /nfs/dbraw/zinc/34/58/22/206345822.db2.gz CDMTXXWFZPTXHN-LJQANCHMSA-N 2 1 367.537 4.057 50 0 FIAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333147 206346133 /nfs/dbraw/zinc/34/61/33/206346133.db2.gz KAZKFVDSPJVIBG-HSZRJFAPSA-N 2 1 360.505 4.271 50 0 FIAAMP c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000095371246 570456174 /nfs/dbraw/zinc/45/61/74/570456174.db2.gz RETBOSKWMCMACX-NRFANRHFSA-N 2 1 361.533 4.316 50 0 FIAAMP Cc1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000097475067 570487894 /nfs/dbraw/zinc/48/78/94/570487894.db2.gz KKNOTNUHUUVJJZ-JOCHJYFZSA-N 2 1 352.522 4.490 50 0 FIAAMP Cc1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000097475067 570487896 /nfs/dbraw/zinc/48/78/96/570487896.db2.gz KKNOTNUHUUVJJZ-JOCHJYFZSA-N 2 1 352.522 4.490 50 0 FIAAMP C([C@H]1CCCO1)[N@@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCSCC1 ZINC000011945814 570713085 /nfs/dbraw/zinc/71/30/85/570713085.db2.gz TURRWMUQRFNRDC-OAQYLSRUSA-N 2 1 366.615 4.018 50 0 FIAAMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3cccc(F)c3)CC2)o1 ZINC000012709022 570757162 /nfs/dbraw/zinc/75/71/62/570757162.db2.gz YWYXBTWWLNQTPB-UHFFFAOYSA-N 2 1 358.501 4.368 50 0 FIAAMP C[C@@H](C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1)[NH+]1CCCC1 ZINC000072423473 571193903 /nfs/dbraw/zinc/19/39/03/571193903.db2.gz WPDKVMWKWRJDQV-SFHVURJKSA-N 2 1 356.558 4.221 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431745 571195787 /nfs/dbraw/zinc/19/57/87/571195787.db2.gz GCCWZZJIWOJISG-JOCHJYFZSA-N 2 1 369.553 4.340 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(CCC(C)(C)O)cc1 ZINC000072431745 571195789 /nfs/dbraw/zinc/19/57/89/571195789.db2.gz GCCWZZJIWOJISG-JOCHJYFZSA-N 2 1 369.553 4.340 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000092046490 570446065 /nfs/dbraw/zinc/44/60/65/570446065.db2.gz KUHAVWVCCALBIS-JOCHJYFZSA-N 2 1 364.533 4.484 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cc(C)no3)CC2)C1 ZINC000096163984 570478178 /nfs/dbraw/zinc/47/81/78/570478178.db2.gz ODBDKRWLDYMNIL-FQEVSTJZSA-N 2 1 353.510 4.075 50 0 FIAAMP Fc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012387562 570741427 /nfs/dbraw/zinc/74/14/27/570741427.db2.gz MTGQEPSZWKLXMM-JOCHJYFZSA-N 2 1 374.544 4.461 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436622 571211424 /nfs/dbraw/zinc/21/14/24/571211424.db2.gz XLUPAQLNJYPMDI-NRFANRHFSA-N 2 1 361.493 4.093 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436622 571211427 /nfs/dbraw/zinc/21/14/27/571211427.db2.gz XLUPAQLNJYPMDI-NRFANRHFSA-N 2 1 361.493 4.093 50 0 FIAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227322 /nfs/dbraw/zinc/22/73/22/1125227322.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227325 /nfs/dbraw/zinc/22/73/25/1125227325.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227331 /nfs/dbraw/zinc/22/73/31/1125227331.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842436 1125227337 /nfs/dbraw/zinc/22/73/37/1125227337.db2.gz QEKDCFNZSWTPPA-HSZRJFAPSA-N 2 1 368.521 4.189 50 0 FIAAMP COc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)c1 ZINC000055199801 205210527 /nfs/dbraw/zinc/21/05/27/205210527.db2.gz JNSWXBVZXPNJOB-HXUWFJFHSA-N 2 1 370.512 4.221 50 0 FIAAMP COc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)c1 ZINC000055199801 205210529 /nfs/dbraw/zinc/21/05/29/205210529.db2.gz JNSWXBVZXPNJOB-HXUWFJFHSA-N 2 1 370.512 4.221 50 0 FIAAMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c1 ZINC000055199801 205210534 /nfs/dbraw/zinc/21/05/34/205210534.db2.gz JNSWXBVZXPNJOB-HXUWFJFHSA-N 2 1 370.512 4.221 50 0 FIAAMP COc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)c1 ZINC000055199801 205210539 /nfs/dbraw/zinc/21/05/39/205210539.db2.gz JNSWXBVZXPNJOB-HXUWFJFHSA-N 2 1 370.512 4.221 50 0 FIAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)s2)cc1 ZINC000216131035 206355717 /nfs/dbraw/zinc/35/57/17/206355717.db2.gz SESYBILGWRBVMT-HXUWFJFHSA-N 2 1 370.566 4.142 50 0 FIAAMP COC(=O)CC[C@H]1C[N@@H+](CCC2=C(C)CCCC2(C)C)CC[C@H]1[NH+](C)C ZINC000014996534 570828470 /nfs/dbraw/zinc/82/84/70/570828470.db2.gz AQBXGMFMNJZZEF-AZUAARDMSA-N 2 1 364.574 4.108 50 0 FIAAMP Cc1cccc(-c2ccc(N3CCC([NH2+]C[C@@H]4CC[N@H+](C)C4)CC3)cc2)c1 ZINC000019939822 570907819 /nfs/dbraw/zinc/90/78/19/570907819.db2.gz REBGWLAVRHMUHI-FQEVSTJZSA-N 2 1 363.549 4.172 50 0 FIAAMP CC(C)[C@H]1C[C@@](CC[NH2+]C2CC[NH+](C)CC2)(Cc2ccccc2)CCO1 ZINC000009047115 571093390 /nfs/dbraw/zinc/09/33/90/571093390.db2.gz FVOUTONKTROUNU-DHIUTWEWSA-N 2 1 358.570 4.124 50 0 FIAAMP COc1cc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000072479753 571199779 /nfs/dbraw/zinc/19/97/79/571199779.db2.gz NDSQVVVZGWFELT-FQEVSTJZSA-N 2 1 354.494 4.190 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358680 571208960 /nfs/dbraw/zinc/20/89/60/571208960.db2.gz LARIGEMJAINYHX-OAQYLSRUSA-N 2 1 367.541 4.474 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358680 571208961 /nfs/dbraw/zinc/20/89/61/571208961.db2.gz LARIGEMJAINYHX-OAQYLSRUSA-N 2 1 367.541 4.474 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407856 571210446 /nfs/dbraw/zinc/21/04/46/571210446.db2.gz ZOTBVPUHSZHSFG-HXUWFJFHSA-N 2 1 367.472 4.166 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407856 571210449 /nfs/dbraw/zinc/21/04/49/571210449.db2.gz ZOTBVPUHSZHSFG-HXUWFJFHSA-N 2 1 367.472 4.166 50 0 FIAAMP CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000230234249 571344758 /nfs/dbraw/zinc/34/47/58/571344758.db2.gz SKPYXSFULBZORD-FQUXPLTJSA-N 2 1 356.554 4.223 50 0 FIAAMP C(C[NH+]1CCCCC1)N(C[C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000022913770 1084821370 /nfs/dbraw/zinc/82/13/70/1084821370.db2.gz IHCUBSZHEJTOSI-OAQYLSRUSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[N@H+](C[C@@H]1CCC[NH+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913770 1084821380 /nfs/dbraw/zinc/82/13/80/1084821380.db2.gz IHCUBSZHEJTOSI-OAQYLSRUSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[N@@H+](C[C@@H]1CCC[NH+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913770 1084821387 /nfs/dbraw/zinc/82/13/87/1084821387.db2.gz IHCUBSZHEJTOSI-OAQYLSRUSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[NH+](C[C@@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913770 1084821392 /nfs/dbraw/zinc/82/13/92/1084821392.db2.gz IHCUBSZHEJTOSI-OAQYLSRUSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[NH+](C[C@@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913770 1084821395 /nfs/dbraw/zinc/82/13/95/1084821395.db2.gz IHCUBSZHEJTOSI-OAQYLSRUSA-N 2 1 361.618 4.372 50 0 FIAAMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000023214385 1086254823 /nfs/dbraw/zinc/25/48/23/1086254823.db2.gz IPXPRWXCXCJITA-UHFFFAOYSA-N 2 1 364.493 4.052 50 0 FIAAMP Cc1[nH+]ccn1CC[N@H+](C)C1CCN(c2cccc(-c3ccco3)c2)CC1 ZINC000023214385 1086254841 /nfs/dbraw/zinc/25/48/41/1086254841.db2.gz IPXPRWXCXCJITA-UHFFFAOYSA-N 2 1 364.493 4.052 50 0 FIAAMP CC(C)C[N@@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011769 1090887017 /nfs/dbraw/zinc/88/70/17/1090887017.db2.gz BROQWLKOKLDXMP-JOCHJYFZSA-N 2 1 358.574 4.257 50 0 FIAAMP CC(C)C[N@H+]1CCc2nc[nH]c2[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000675011769 1090887028 /nfs/dbraw/zinc/88/70/28/1090887028.db2.gz BROQWLKOKLDXMP-JOCHJYFZSA-N 2 1 358.574 4.257 50 0 FIAAMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)n1-c1ccnn1C(C)C ZINC000006651238 207151785 /nfs/dbraw/zinc/15/17/85/207151785.db2.gz ADCOFZNHLVXLOQ-GOSISDBHSA-N 2 1 371.573 4.226 50 0 FIAAMP c1cncc(C[NH+](C[C@H]2CCC[N@H+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821683 207324373 /nfs/dbraw/zinc/32/43/73/207324373.db2.gz ZUQVMONAYYMXOP-NRFANRHFSA-N 2 1 371.569 4.107 50 0 FIAAMP c1cncc(C[N@@H+](C[C@H]2CCC[NH+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821683 207324377 /nfs/dbraw/zinc/32/43/77/207324377.db2.gz ZUQVMONAYYMXOP-NRFANRHFSA-N 2 1 371.569 4.107 50 0 FIAAMP c1cncc(C[N@H+](C[C@H]2CCC[NH+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821683 207324381 /nfs/dbraw/zinc/32/43/81/207324381.db2.gz ZUQVMONAYYMXOP-NRFANRHFSA-N 2 1 371.569 4.107 50 0 FIAAMP C[N@@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011873543 207327790 /nfs/dbraw/zinc/32/77/90/207327790.db2.gz JROGNEVSNLHYJJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[N@H+](Cc1cccnc1)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011873543 207327795 /nfs/dbraw/zinc/32/77/95/207327795.db2.gz JROGNEVSNLHYJJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873543 207327800 /nfs/dbraw/zinc/32/78/00/207327800.db2.gz JROGNEVSNLHYJJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1cccnc1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873543 207327805 /nfs/dbraw/zinc/32/78/05/207327805.db2.gz JROGNEVSNLHYJJ-HXUWFJFHSA-N 2 1 357.929 4.122 50 0 FIAAMP c1ccc([C@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000095371245 209035535 /nfs/dbraw/zinc/03/55/35/209035535.db2.gz RETBOSKWMCMACX-OAQYLSRUSA-N 2 1 361.533 4.316 50 0 FIAAMP C[N@@H+](Cc1ccc(C[NH+]2CCCC2)s1)Cc1ccc(-n2cccn2)cc1 ZINC000215694393 568084282 /nfs/dbraw/zinc/08/42/82/568084282.db2.gz FJIVNGQUCBPMNP-UHFFFAOYSA-N 2 1 366.534 4.162 50 0 FIAAMP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH+]3CCC(F)(F)CC3)cc2)C1 ZINC000216202729 568112162 /nfs/dbraw/zinc/11/21/62/568112162.db2.gz MWEJTEFCBCMEOX-KRWDZBQOSA-N 2 1 352.469 4.028 50 0 FIAAMP CCn1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1C ZINC000014966453 568278308 /nfs/dbraw/zinc/27/83/08/568278308.db2.gz BIZPLUFECWEKSC-QFIPXVFZSA-N 2 1 358.574 4.080 50 0 FIAAMP COc1cc(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)ccc1F ZINC000012718358 570758336 /nfs/dbraw/zinc/75/83/36/570758336.db2.gz GWZFZTXACNAZPJ-UHFFFAOYSA-N 2 1 370.512 4.221 50 0 FIAAMP Brc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010435222 570874093 /nfs/dbraw/zinc/87/40/93/570874093.db2.gz LQTBRZAEHBWCJL-UHFFFAOYSA-N 2 1 359.311 4.203 50 0 FIAAMP Cc1ncsc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321504 571239046 /nfs/dbraw/zinc/23/90/46/571239046.db2.gz PZGICSPQAQDGNE-LJQANCHMSA-N 2 1 355.551 4.153 50 0 FIAAMP Oc1c(C[NH+]2CCCCC2)cc(C[NH+]2CCCCC2)nc1-c1ccccc1 ZINC000003877551 1088744048 /nfs/dbraw/zinc/74/40/48/1088744048.db2.gz DQQXHXLOHVKCSN-UHFFFAOYSA-N 2 1 365.521 4.426 50 0 FIAAMP Cc1ncsc1C[NH+]1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257185793 1090299336 /nfs/dbraw/zinc/29/93/36/1090299336.db2.gz JUQPPMCGTRNBEG-HXUWFJFHSA-N 2 1 355.551 4.499 50 0 FIAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3coc(C)n3)CC2)C1 ZINC000096142111 209122037 /nfs/dbraw/zinc/12/20/37/209122037.db2.gz RGEXKVRDDOAGRK-FQEVSTJZSA-N 2 1 353.510 4.075 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3coc(C)n3)CC2)C1 ZINC000096142111 209122040 /nfs/dbraw/zinc/12/20/40/209122040.db2.gz RGEXKVRDDOAGRK-FQEVSTJZSA-N 2 1 353.510 4.075 50 0 FIAAMP Cc1cccc(-c2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cn2)c1 ZINC000063857320 208609875 /nfs/dbraw/zinc/60/98/75/208609875.db2.gz NDFSGGCXARTHAF-UHFFFAOYSA-N 2 1 372.516 4.338 50 0 FIAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([NH2+]C3(CC(C)C)CC3)CC2)cc1 ZINC000048422224 571108309 /nfs/dbraw/zinc/10/83/09/571108309.db2.gz GSNDJCMSOYPXTF-UHFFFAOYSA-N 2 1 352.526 4.318 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000091725891 571243010 /nfs/dbraw/zinc/24/30/10/571243010.db2.gz JJUABYMWHHAIDK-JOCHJYFZSA-N 2 1 364.533 4.484 50 0 FIAAMP CC(C)C[N@H+]1C[C@@H](c2ncco2)C2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000675014711 1090896925 /nfs/dbraw/zinc/89/69/25/1090896925.db2.gz PVTBHQBWOYAGCL-FQEVSTJZSA-N 2 1 353.510 4.012 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cc(C)no3)CC2)C1 ZINC000096163983 209129100 /nfs/dbraw/zinc/12/91/00/209129100.db2.gz ODBDKRWLDYMNIL-HXUWFJFHSA-N 2 1 353.510 4.075 50 0 FIAAMP Fc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000011720190 207320197 /nfs/dbraw/zinc/32/01/97/207320197.db2.gz XETGJXRJNHAARW-QHCPKHFHSA-N 2 1 374.544 4.461 50 0 FIAAMP Cc1c(F)cccc1C[N@H+]1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011938531 207331461 /nfs/dbraw/zinc/33/14/61/207331461.db2.gz OZWKXNZWPCQIOM-QFIPXVFZSA-N 2 1 367.512 4.263 50 0 FIAAMP C[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011878476 207327033 /nfs/dbraw/zinc/32/70/33/207327033.db2.gz DOHVWEOYFRPXMF-UHFFFAOYSA-N 2 1 358.476 4.351 50 0 FIAAMP CC(=O)c1cccc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000012466288 207380944 /nfs/dbraw/zinc/38/09/44/207380944.db2.gz BUBUIZQGVPJPLZ-UHFFFAOYSA-N 2 1 354.494 4.135 50 0 FIAAMP CC(=O)c1cc(C[N@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)cs1 ZINC000012748230 570759475 /nfs/dbraw/zinc/75/94/75/570759475.db2.gz FQTOLNRFUSTLMR-UHFFFAOYSA-N 2 1 370.562 4.337 50 0 FIAAMP c1ccc(C2CCC([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC000023702946 570967018 /nfs/dbraw/zinc/96/70/18/570967018.db2.gz ODHAPHCVZVLNQA-UHFFFAOYSA-N 2 1 364.533 4.335 50 0 FIAAMP C[NH+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000058143303 571125664 /nfs/dbraw/zinc/12/56/64/571125664.db2.gz HMAVCDJMIVNSAW-UHFFFAOYSA-N 2 1 374.488 4.327 50 0 FIAAMP Cn1ncc(C[N@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000072406814 571191192 /nfs/dbraw/zinc/19/11/92/571191192.db2.gz YZYGPNUYSMWRMD-NRFANRHFSA-N 2 1 352.526 4.086 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358248 571209123 /nfs/dbraw/zinc/20/91/23/571209123.db2.gz OFGZIBZGESEQAA-GOSISDBHSA-N 2 1 367.522 4.155 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358248 571209126 /nfs/dbraw/zinc/20/91/26/571209126.db2.gz OFGZIBZGESEQAA-GOSISDBHSA-N 2 1 367.522 4.155 50 0 FIAAMP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC000091474360 571240116 /nfs/dbraw/zinc/24/01/16/571240116.db2.gz GDDFNYVDSFFTHR-SJORKVTESA-N 2 1 368.546 4.047 50 0 FIAAMP CC(C)C[N@H+]1C[C@H](c2ncco2)C2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000675014712 1090896559 /nfs/dbraw/zinc/89/65/59/1090896559.db2.gz PVTBHQBWOYAGCL-HXUWFJFHSA-N 2 1 353.510 4.012 50 0 FIAAMP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624015225 1111698469 /nfs/dbraw/zinc/69/84/69/1111698469.db2.gz SJHCHQGDEQWRGE-OXQOHEQNSA-N 2 1 373.928 4.042 50 0 FIAAMP Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624015223 1111698606 /nfs/dbraw/zinc/69/86/06/1111698606.db2.gz SJHCHQGDEQWRGE-JXFKEZNVSA-N 2 1 373.928 4.042 50 0 FIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000011840379 207325696 /nfs/dbraw/zinc/32/56/96/207325696.db2.gz HFYZEUNVUMSYLZ-HXUWFJFHSA-N 2 1 374.544 4.342 50 0 FIAAMP c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000095384967 209043044 /nfs/dbraw/zinc/04/30/44/209043044.db2.gz GPNJNGQTXLRBLB-QFIPXVFZSA-N 2 1 361.533 4.316 50 0 FIAAMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2c1cc(F)cc2F ZINC000095452701 132211116 /nfs/dbraw/zinc/21/11/16/132211116.db2.gz UXGALQLVPUFPIP-NRFANRHFSA-N 2 1 357.448 4.196 50 0 FIAAMP COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000245310389 524791850 /nfs/dbraw/zinc/79/18/50/524791850.db2.gz IRQFLDPUVMQMKX-QGZVKYPTSA-N 2 1 356.510 4.129 50 0 FIAAMP CC[N@H+](Cc1cccnc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000015067164 570831060 /nfs/dbraw/zinc/83/10/60/570831060.db2.gz ODOZRCASVMSFOH-UHFFFAOYSA-N 2 1 351.538 4.167 50 0 FIAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074099 570831984 /nfs/dbraw/zinc/83/19/84/570831984.db2.gz ZKPYDRZQFHGEHW-NRFANRHFSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074099 570831986 /nfs/dbraw/zinc/83/19/86/570831986.db2.gz ZKPYDRZQFHGEHW-NRFANRHFSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074099 570831987 /nfs/dbraw/zinc/83/19/87/570831987.db2.gz ZKPYDRZQFHGEHW-NRFANRHFSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074099 570831989 /nfs/dbraw/zinc/83/19/89/570831989.db2.gz ZKPYDRZQFHGEHW-NRFANRHFSA-N 2 1 358.551 4.144 50 0 FIAAMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012383429 570946749 /nfs/dbraw/zinc/94/67/49/570946749.db2.gz BZEHPSXJDGIMCW-LJQANCHMSA-N 2 1 352.522 4.271 50 0 FIAAMP C[C@@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)C1 ZINC000065431882 571143544 /nfs/dbraw/zinc/14/35/44/571143544.db2.gz CYFNMXOEECBITQ-QGZVFWFLSA-N 2 1 373.928 4.136 50 0 FIAAMP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118730 571145131 /nfs/dbraw/zinc/14/51/31/571145131.db2.gz AZPAYJMLFAYWNS-QHCPKHFHSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118730 571145134 /nfs/dbraw/zinc/14/51/34/571145134.db2.gz AZPAYJMLFAYWNS-QHCPKHFHSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118730 571145136 /nfs/dbraw/zinc/14/51/36/571145136.db2.gz AZPAYJMLFAYWNS-QHCPKHFHSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118730 571145138 /nfs/dbraw/zinc/14/51/38/571145138.db2.gz AZPAYJMLFAYWNS-QHCPKHFHSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1ncsc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321502 571239099 /nfs/dbraw/zinc/23/90/99/571239099.db2.gz PZGICSPQAQDGNE-IBGZPJMESA-N 2 1 355.551 4.153 50 0 FIAAMP COc1cccc2c1OCCC[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000670468900 571359508 /nfs/dbraw/zinc/35/95/08/571359508.db2.gz XBOIFHGXURCQNF-UHFFFAOYSA-N 2 1 372.534 4.137 50 0 FIAAMP COc1cccc2c1OCCC[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000670468900 571359509 /nfs/dbraw/zinc/35/95/09/571359509.db2.gz XBOIFHGXURCQNF-UHFFFAOYSA-N 2 1 372.534 4.137 50 0 FIAAMP CC(C)C[NH+]1CCC([C@@H]2c3nccn3CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000257187879 1090304769 /nfs/dbraw/zinc/30/47/69/1090304769.db2.gz CQHGFWRMOJWBKP-JOCHJYFZSA-N 2 1 366.553 4.198 50 0 FIAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074098 570831967 /nfs/dbraw/zinc/83/19/67/570831967.db2.gz ZKPYDRZQFHGEHW-OAQYLSRUSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074098 570831969 /nfs/dbraw/zinc/83/19/69/570831969.db2.gz ZKPYDRZQFHGEHW-OAQYLSRUSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074098 570831970 /nfs/dbraw/zinc/83/19/70/570831970.db2.gz ZKPYDRZQFHGEHW-OAQYLSRUSA-N 2 1 358.551 4.144 50 0 FIAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(C)sc4ccccc43)C2)C1 ZINC000015074098 570831972 /nfs/dbraw/zinc/83/19/72/570831972.db2.gz ZKPYDRZQFHGEHW-OAQYLSRUSA-N 2 1 358.551 4.144 50 0 FIAAMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1cccs1 ZINC000022820477 570950593 /nfs/dbraw/zinc/95/05/93/570950593.db2.gz DXGMFIRLLMKCBJ-UHFFFAOYSA-N 2 1 372.534 4.052 50 0 FIAAMP Cn1ncc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C1CC1 ZINC000072406813 571191176 /nfs/dbraw/zinc/19/11/76/571191176.db2.gz YZYGPNUYSMWRMD-OAQYLSRUSA-N 2 1 352.526 4.086 50 0 FIAAMP CNc1cc(C)[nH+]c(N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462793 571197878 /nfs/dbraw/zinc/19/78/78/571197878.db2.gz YWHRTVVCTIATCU-FQEVSTJZSA-N 2 1 367.541 4.102 50 0 FIAAMP CNc1cc(C)[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462793 571197880 /nfs/dbraw/zinc/19/78/80/571197880.db2.gz YWHRTVVCTIATCU-FQEVSTJZSA-N 2 1 367.541 4.102 50 0 FIAAMP C(C[NH+]1CCCCC1)N(C[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000022913777 1084821229 /nfs/dbraw/zinc/82/12/29/1084821229.db2.gz IHCUBSZHEJTOSI-NRFANRHFSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[N@H+](C[C@H]1CCC[NH+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913777 1084821232 /nfs/dbraw/zinc/82/12/32/1084821232.db2.gz IHCUBSZHEJTOSI-NRFANRHFSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[N@@H+](C[C@H]1CCC[NH+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913777 1084821238 /nfs/dbraw/zinc/82/12/38/1084821238.db2.gz IHCUBSZHEJTOSI-NRFANRHFSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[NH+](C[C@H]1CCC[N@@H+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913777 1084821246 /nfs/dbraw/zinc/82/12/46/1084821246.db2.gz IHCUBSZHEJTOSI-NRFANRHFSA-N 2 1 361.618 4.372 50 0 FIAAMP C(C[NH+](C[C@H]1CCC[N@H+](C2CCCC2)C1)C1CCCC1)N1CCCCC1 ZINC000022913777 1084821255 /nfs/dbraw/zinc/82/12/55/1084821255.db2.gz IHCUBSZHEJTOSI-NRFANRHFSA-N 2 1 361.618 4.372 50 0 FIAAMP C([C@@H]1CCCO1)[N@@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCSCC1 ZINC000011945809 207330500 /nfs/dbraw/zinc/33/05/00/207330500.db2.gz TURRWMUQRFNRDC-NRFANRHFSA-N 2 1 366.615 4.018 50 0 FIAAMP CC(C)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011842448 207325217 /nfs/dbraw/zinc/32/52/17/207325217.db2.gz FFFUMZSKNYOTOM-NRFANRHFSA-N 2 1 362.533 4.175 50 0 FIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cccs3)CC2)cc1 ZINC000015080346 207545012 /nfs/dbraw/zinc/54/50/12/207545012.db2.gz FNJPLCDAXGENNA-UHFFFAOYSA-N 2 1 358.551 4.143 50 0 FIAAMP c1cn(Cc2ccncc2)c(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]1 ZINC000091736339 132203367 /nfs/dbraw/zinc/20/33/67/132203367.db2.gz OVLWVUWEZPWBIJ-UHFFFAOYSA-N 2 1 369.472 4.259 50 0 FIAAMP Cc1cccc(-c2ccc(N3CCC([NH2+]C[C@H]4CC[N@H+](C)C4)CC3)cc2)c1 ZINC000019939823 524108005 /nfs/dbraw/zinc/10/80/05/524108005.db2.gz REBGWLAVRHMUHI-HXUWFJFHSA-N 2 1 363.549 4.172 50 0 FIAAMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013016 568100606 /nfs/dbraw/zinc/10/06/06/568100606.db2.gz OONTWIALAOURRV-OAHLLOKOSA-N 2 1 356.470 4.062 50 0 FIAAMP Cc1nccn1CC[NH+](C)Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117122 /nfs/dbraw/zinc/11/71/22/568117122.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 2 1 368.569 4.172 50 0 FIAAMP Cc1nccn1CC[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117123 /nfs/dbraw/zinc/11/71/23/568117123.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 2 1 368.569 4.172 50 0 FIAAMP Cc1nccn1CC[N@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117124 /nfs/dbraw/zinc/11/71/24/568117124.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 2 1 368.569 4.172 50 0 FIAAMP Cc1[nH+]ccn1CC[NH+](C)Cc1cc(C)cc(C[N@H+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117125 /nfs/dbraw/zinc/11/71/25/568117125.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 3 1 368.569 4.172 50 0 FIAAMP Cc1[nH+]ccn1CC[NH+](C)Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117126 /nfs/dbraw/zinc/11/71/26/568117126.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 3 1 368.569 4.172 50 0 FIAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117127 /nfs/dbraw/zinc/11/71/27/568117127.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 3 1 368.569 4.172 50 0 FIAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000216296544 568117128 /nfs/dbraw/zinc/11/71/28/568117128.db2.gz XPPVQLBADSKETI-SFHVURJKSA-N 3 1 368.569 4.172 50 0 FIAAMP CC(C)[C@@H]1C[C@@](CC[NH2+]C2CC[NH+](C)CC2)(Cc2ccccc2)CCO1 ZINC000009047112 571093508 /nfs/dbraw/zinc/09/35/08/571093508.db2.gz FVOUTONKTROUNU-XZOQPEGZSA-N 2 1 358.570 4.124 50 0 FIAAMP C[C@H](C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccc(Cl)cc1Br ZINC000170595397 571266444 /nfs/dbraw/zinc/26/64/44/571266444.db2.gz GNXSYFZYIMSNLY-GFCCVEGCSA-N 2 1 359.739 4.265 50 0 FIAAMP Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624015224 1111698551 /nfs/dbraw/zinc/69/85/51/1111698551.db2.gz SJHCHQGDEQWRGE-OXJNMPFZSA-N 2 1 373.928 4.042 50 0 FIAAMP CC(C)C[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000257187880 1115686972 /nfs/dbraw/zinc/68/69/72/1115686972.db2.gz CQHGFWRMOJWBKP-QFIPXVFZSA-N 2 1 366.553 4.198 50 0 FIAAMP Cc1ccc(COc2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000097475066 209183303 /nfs/dbraw/zinc/18/33/03/209183303.db2.gz KKNOTNUHUUVJJZ-QFIPXVFZSA-N 2 1 352.522 4.490 50 0 FIAAMP Cc1ccc(COc2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000097475066 209183307 /nfs/dbraw/zinc/18/33/07/209183307.db2.gz KKNOTNUHUUVJJZ-QFIPXVFZSA-N 2 1 352.522 4.490 50 0 FIAAMP Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)n1-c1ccnn1C(C)C ZINC000006651233 207151427 /nfs/dbraw/zinc/15/14/27/207151427.db2.gz ADCOFZNHLVXLOQ-SFHVURJKSA-N 2 1 371.573 4.226 50 0 FIAAMP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007443163 207194769 /nfs/dbraw/zinc/19/47/69/207194769.db2.gz YLUJEXGWJSLLJP-IBGZPJMESA-N 2 1 369.534 4.120 50 0 FIAAMP O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007443163 207194774 /nfs/dbraw/zinc/19/47/74/207194774.db2.gz YLUJEXGWJSLLJP-IBGZPJMESA-N 2 1 369.534 4.120 50 0 FIAAMP c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000095355854 209024662 /nfs/dbraw/zinc/02/46/62/209024662.db2.gz QAIZKDVUVKIMNY-QFIPXVFZSA-N 2 1 361.533 4.316 50 0 FIAAMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)CC1CC1 ZINC000095458277 209053727 /nfs/dbraw/zinc/05/37/27/209053727.db2.gz SGDWOCPBGGJWHI-UHFFFAOYSA-N 2 1 374.554 4.132 50 0 FIAAMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)CC1CC1 ZINC000095458277 209053730 /nfs/dbraw/zinc/05/37/30/209053730.db2.gz SGDWOCPBGGJWHI-UHFFFAOYSA-N 2 1 374.554 4.132 50 0 FIAAMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000216041694 568102288 /nfs/dbraw/zinc/10/22/88/568102288.db2.gz DCGZBUSHIBIBFS-LJQANCHMSA-N 2 1 354.523 4.034 50 0 FIAAMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000216041694 568102289 /nfs/dbraw/zinc/10/22/89/568102289.db2.gz DCGZBUSHIBIBFS-LJQANCHMSA-N 2 1 354.523 4.034 50 0 FIAAMP Clc1ccc2c(NCc3ccc(CN4CCOCC4)cc3)cc[nH+]c2c1 ZINC000018061485 570806875 /nfs/dbraw/zinc/80/68/75/570806875.db2.gz NXOLIDYFWZLBIS-UHFFFAOYSA-N 2 1 367.880 4.333 50 0 FIAAMP Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1ccccc1)[C@@H](c1ccccc1)[NH+](C)CC2 ZINC000001243995 571044220 /nfs/dbraw/zinc/04/42/20/571044220.db2.gz RXOZEZKDLQNAGD-JWQCQUIFSA-N 2 1 371.528 4.180 50 0 FIAAMP CC1(C)CC([N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067540908 571146984 /nfs/dbraw/zinc/14/69/84/571146984.db2.gz XNDGXVBRHVGNHZ-UHFFFAOYSA-N 2 1 357.473 4.148 50 0 FIAAMP CC1(C)CC([N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)CC(C)(C)[NH2+]1 ZINC000067540908 571146985 /nfs/dbraw/zinc/14/69/85/571146985.db2.gz XNDGXVBRHVGNHZ-UHFFFAOYSA-N 2 1 357.473 4.148 50 0 FIAAMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H]3CCc3[nH+]ccn3C)on2)cc1 ZINC000077453709 571211911 /nfs/dbraw/zinc/21/19/11/571211911.db2.gz XWPSTSYRWIDFQI-IBGZPJMESA-N 2 1 364.493 4.371 50 0 FIAAMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H]3CCc3[nH+]ccn3C)on2)cc1 ZINC000077453709 571211915 /nfs/dbraw/zinc/21/19/15/571211915.db2.gz XWPSTSYRWIDFQI-IBGZPJMESA-N 2 1 364.493 4.371 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCc3ccccn3)CC2)C1 ZINC000091725383 571242890 /nfs/dbraw/zinc/24/28/90/571242890.db2.gz AKWZBPLNXBAQMU-JOCHJYFZSA-N 2 1 363.549 4.216 50 0 FIAAMP COc1cc(F)ccc1C[N@@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000012581559 207399175 /nfs/dbraw/zinc/39/91/75/207399175.db2.gz DIQWLKRYNLGVMM-UHFFFAOYSA-N 2 1 360.473 4.080 50 0 FIAAMP CC[N@H+](CCCSC)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014975389 570827950 /nfs/dbraw/zinc/82/79/50/570827950.db2.gz PXEJZEOULCMKPH-IBGZPJMESA-N 2 1 352.563 4.155 50 0 FIAAMP CC[N@@H+](CCCSC)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014975389 570827954 /nfs/dbraw/zinc/82/79/54/570827954.db2.gz PXEJZEOULCMKPH-IBGZPJMESA-N 2 1 352.563 4.155 50 0 FIAAMP CC[NH+](CCCSC)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000014975389 570827957 /nfs/dbraw/zinc/82/79/57/570827957.db2.gz PXEJZEOULCMKPH-IBGZPJMESA-N 2 1 352.563 4.155 50 0 FIAAMP CC[NH+](CCCSC)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000014975389 570827962 /nfs/dbraw/zinc/82/79/62/570827962.db2.gz PXEJZEOULCMKPH-IBGZPJMESA-N 2 1 352.563 4.155 50 0 FIAAMP CNc1cc(C)[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462792 571197923 /nfs/dbraw/zinc/19/79/23/571197923.db2.gz YWHRTVVCTIATCU-HXUWFJFHSA-N 2 1 367.541 4.102 50 0 FIAAMP CNc1cc(C)[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462792 571197925 /nfs/dbraw/zinc/19/79/25/571197925.db2.gz YWHRTVVCTIATCU-HXUWFJFHSA-N 2 1 367.541 4.102 50 0 FIAAMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)on2)cc1 ZINC000077453705 571212015 /nfs/dbraw/zinc/21/20/15/571212015.db2.gz XWPSTSYRWIDFQI-LJQANCHMSA-N 2 1 364.493 4.371 50 0 FIAAMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H]3CCc3[nH+]ccn3C)on2)cc1 ZINC000077453705 571212016 /nfs/dbraw/zinc/21/20/16/571212016.db2.gz XWPSTSYRWIDFQI-LJQANCHMSA-N 2 1 364.493 4.371 50 0 FIAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000670434981 571346635 /nfs/dbraw/zinc/34/66/35/571346635.db2.gz RCFKGWQXQGAVGA-QFIPXVFZSA-N 2 1 352.522 4.397 50 0 FIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000581816930 1090409661 /nfs/dbraw/zinc/40/96/61/1090409661.db2.gz SJVXKAUHUMWKMV-NRFANRHFSA-N 2 1 362.521 4.033 50 0 FIAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000581816930 1090409666 /nfs/dbraw/zinc/40/96/66/1090409666.db2.gz SJVXKAUHUMWKMV-NRFANRHFSA-N 2 1 362.521 4.033 50 0 FIAAMP Cc1nnc([C@H]2C[N@H+](CC(C)C)CC23CC[NH+](CC2CCCCC2)CC3)o1 ZINC000675014901 1090896314 /nfs/dbraw/zinc/89/63/14/1090896314.db2.gz QAJNVOUVYUFKLS-HXUWFJFHSA-N 2 1 374.573 4.096 50 0 FIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccc(C)s3)CC2)cc1 ZINC000015064006 211116987 /nfs/dbraw/zinc/11/69/87/211116987.db2.gz JQSNFLGRCCAYIH-UHFFFAOYSA-N 2 1 372.578 4.452 50 0 FIAAMP C[N@@H+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)[C@@H](c2ccccc2)C1 ZINC000216496322 523909337 /nfs/dbraw/zinc/90/93/37/523909337.db2.gz UEGVOUNRKVEKEG-JOCHJYFZSA-N 2 1 369.578 4.223 50 0 FIAAMP C[N@H+]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)[C@@H](c2ccccc2)C1 ZINC000216496322 523909343 /nfs/dbraw/zinc/90/93/43/523909343.db2.gz UEGVOUNRKVEKEG-JOCHJYFZSA-N 2 1 369.578 4.223 50 0 FIAAMP COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000005478521 570661939 /nfs/dbraw/zinc/66/19/39/570661939.db2.gz IRQFLDPUVMQMKX-LCLWPZTBSA-N 2 1 356.510 4.129 50 0 FIAAMP COc1ccc(F)c(C[N@@H+](CCc2ccccc2)CC2CC[NH+](C)CC2)c1 ZINC000011719215 570706372 /nfs/dbraw/zinc/70/63/72/570706372.db2.gz VDDDVHQXWVMXHK-UHFFFAOYSA-N 2 1 370.512 4.221 50 0 FIAAMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)ccc1F ZINC000012836253 570765303 /nfs/dbraw/zinc/76/53/03/570765303.db2.gz SEIOQHOMKLZFBW-UHFFFAOYSA-N 2 1 360.473 4.080 50 0 FIAAMP Brc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023279955 1102532279 /nfs/dbraw/zinc/53/22/79/1102532279.db2.gz MRKRILAVABQQSA-UHFFFAOYSA-N 2 1 373.338 4.246 50 0 FIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3cc4ccccc4[nH]3)CC2)o1 ZINC000012711246 220020347 /nfs/dbraw/zinc/02/03/47/220020347.db2.gz MXMOOBXDZKXMSB-UHFFFAOYSA-N 2 1 351.494 4.413 50 0 FIAAMP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(C)s3)C2)cc1 ZINC000019225236 211206856 /nfs/dbraw/zinc/20/68/56/211206856.db2.gz GJZIMTGYOBMAGV-FQEVSTJZSA-N 2 1 372.578 4.452 50 0 FIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(C)s3)C2)cc1 ZINC000019225236 211206860 /nfs/dbraw/zinc/20/68/60/211206860.db2.gz GJZIMTGYOBMAGV-FQEVSTJZSA-N 2 1 372.578 4.452 50 0 FIAAMP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(C)s3)C2)cc1 ZINC000019225236 211206864 /nfs/dbraw/zinc/20/68/64/211206864.db2.gz GJZIMTGYOBMAGV-FQEVSTJZSA-N 2 1 372.578 4.452 50 0 FIAAMP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000091876994 570441617 /nfs/dbraw/zinc/44/16/17/570441617.db2.gz IXCHDXCXJPFQQK-IBGZPJMESA-N 2 1 355.551 4.235 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000091876994 570441618 /nfs/dbraw/zinc/44/16/18/570441618.db2.gz IXCHDXCXJPFQQK-IBGZPJMESA-N 2 1 355.551 4.235 50 0 FIAAMP c1ccc([C@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000095355853 570452633 /nfs/dbraw/zinc/45/26/33/570452633.db2.gz QAIZKDVUVKIMNY-JOCHJYFZSA-N 2 1 361.533 4.316 50 0 FIAAMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000072301615 570495093 /nfs/dbraw/zinc/49/50/93/570495093.db2.gz GDWYXYMRBQRNCW-SFHVURJKSA-N 2 1 357.542 4.120 50 0 FIAAMP COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000005478520 570661996 /nfs/dbraw/zinc/66/19/96/570661996.db2.gz IRQFLDPUVMQMKX-IZBJGVDFSA-N 2 1 356.510 4.129 50 0 FIAAMP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320791 570736724 /nfs/dbraw/zinc/73/67/24/570736724.db2.gz WJPURXPYRCUOFI-IBGZPJMESA-N 2 1 371.475 4.094 50 0 FIAAMP Fc1cccc(C[NH+]2CCC([C@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1F ZINC000012320791 570736728 /nfs/dbraw/zinc/73/67/28/570736728.db2.gz WJPURXPYRCUOFI-IBGZPJMESA-N 2 1 371.475 4.094 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358677 571209038 /nfs/dbraw/zinc/20/90/38/571209038.db2.gz LARIGEMJAINYHX-NRFANRHFSA-N 2 1 367.541 4.474 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)nc1 ZINC000077358677 571209042 /nfs/dbraw/zinc/20/90/42/571209042.db2.gz LARIGEMJAINYHX-NRFANRHFSA-N 2 1 367.541 4.474 50 0 FIAAMP COc1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3CCn3cc[nH+]c3C)c(C)c2c1 ZINC000077519241 571214347 /nfs/dbraw/zinc/21/43/47/571214347.db2.gz OKBZWKYFONPDTC-GOSISDBHSA-N 2 1 366.509 4.435 50 0 FIAAMP COc1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3CCn3cc[nH+]c3C)c(C)c2c1 ZINC000077519241 571214348 /nfs/dbraw/zinc/21/43/48/571214348.db2.gz OKBZWKYFONPDTC-GOSISDBHSA-N 2 1 366.509 4.435 50 0 FIAAMP CC(C)C[N@H+]1C[C@H](c2ncco2)C2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC000675015250 1090898224 /nfs/dbraw/zinc/89/82/24/1090898224.db2.gz VOJUZFMKWZFSPA-HXUWFJFHSA-N 2 1 359.558 4.392 50 0 FIAAMP c1ccc([C@@H]2C[C@H](c3noc(C[NH+]4CCCCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299775655 210020149 /nfs/dbraw/zinc/02/01/49/210020149.db2.gz GINIQCDLYYUGEQ-ZCNNSNEGSA-N 2 1 366.509 4.139 50 0 FIAAMP c1ccc([C@@H]2C[C@H](c3noc(C[NH+]4CCCCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299775655 210020153 /nfs/dbraw/zinc/02/01/53/210020153.db2.gz GINIQCDLYYUGEQ-ZCNNSNEGSA-N 2 1 366.509 4.139 50 0 FIAAMP CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000014967045 211109043 /nfs/dbraw/zinc/10/90/43/211109043.db2.gz HDACZKCVBJCJAK-NRFANRHFSA-N 2 1 363.634 4.497 50 0 FIAAMP CC[N@H+](C[C@@H](C)CCC=C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000014967045 211109047 /nfs/dbraw/zinc/10/90/47/211109047.db2.gz HDACZKCVBJCJAK-NRFANRHFSA-N 3 1 363.634 4.497 50 0 FIAAMP CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000014967045 211109050 /nfs/dbraw/zinc/10/90/50/211109050.db2.gz HDACZKCVBJCJAK-NRFANRHFSA-N 3 1 363.634 4.497 50 0 FIAAMP CC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cs1 ZINC000014974521 211108802 /nfs/dbraw/zinc/10/88/02/211108802.db2.gz KNVUXCKIDAMHJV-UHFFFAOYSA-N 2 1 360.523 4.196 50 0 FIAAMP CC(C)[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)CC1 ZINC000065430331 221218597 /nfs/dbraw/zinc/21/85/97/221218597.db2.gz GJIIKJACSYHEOW-JOCHJYFZSA-N 2 1 364.537 4.053 50 0 FIAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000055199873 571117823 /nfs/dbraw/zinc/11/78/23/571117823.db2.gz PPJJTSUVZKNJGM-NRFANRHFSA-N 2 1 374.532 4.305 50 0 FIAAMP COc1cc(C[N@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)ccc1O ZINC000072479754 571199746 /nfs/dbraw/zinc/19/97/46/571199746.db2.gz NDSQVVVZGWFELT-HXUWFJFHSA-N 2 1 354.494 4.190 50 0 FIAAMP CC(C)OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000096003193 571333739 /nfs/dbraw/zinc/33/37/39/571333739.db2.gz SKPYXSFULBZORD-VXGVFTFCSA-N 2 1 356.554 4.223 50 0 FIAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000670434980 571346630 /nfs/dbraw/zinc/34/66/30/571346630.db2.gz RCFKGWQXQGAVGA-JOCHJYFZSA-N 2 1 352.522 4.397 50 0 FIAAMP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2)C[C@@]1(C)CO ZINC000019146093 211203069 /nfs/dbraw/zinc/20/30/69/211203069.db2.gz AOOUYCCHJQSCNY-HJNYFJLDSA-N 2 1 372.940 4.264 50 0 FIAAMP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2)C[C@@]1(C)CO ZINC000019146093 211203075 /nfs/dbraw/zinc/20/30/75/211203075.db2.gz AOOUYCCHJQSCNY-HJNYFJLDSA-N 2 1 372.940 4.264 50 0 FIAAMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OC ZINC000057869493 221095513 /nfs/dbraw/zinc/09/55/13/221095513.db2.gz RALJKPPXOGVXIV-UHFFFAOYSA-N 2 1 374.912 4.111 50 0 FIAAMP COc1ccc(-c2ccc(C[NH+]3CCC(c4[nH+]ccn4C)CC3)o2)cc1 ZINC000215566717 568077197 /nfs/dbraw/zinc/07/71/97/568077197.db2.gz HZMCFMKJAPJICB-UHFFFAOYSA-N 2 1 351.450 4.068 50 0 FIAAMP CC(C)C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012430272 570744357 /nfs/dbraw/zinc/74/43/57/570744357.db2.gz CBKGQFZSSXEHSS-DEOSSOPVSA-N 2 1 370.581 4.003 50 0 FIAAMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000012434304 570744647 /nfs/dbraw/zinc/74/46/47/570744647.db2.gz FBCFVJDUOGXGFE-UHFFFAOYSA-N 2 1 354.542 4.435 50 0 FIAAMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000055199877 571117739 /nfs/dbraw/zinc/11/77/39/571117739.db2.gz PPJJTSUVZKNJGM-OAQYLSRUSA-N 2 1 374.532 4.305 50 0 FIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785494 571236161 /nfs/dbraw/zinc/23/61/61/571236161.db2.gz RTMYNEJVZJZFHI-NMMYMHLASA-N 2 1 366.549 4.473 50 0 FIAAMP CCCC1(CCC)COC2(CC[NH+](CCC[NH+](CC)CC)CC2)OC1 ZINC000095947275 571332545 /nfs/dbraw/zinc/33/25/45/571332545.db2.gz RGSHVBUWGLZOIK-UHFFFAOYSA-N 2 1 354.579 4.144 50 0 FIAAMP COCCn1cc[nH+]c1C1CCN(c2cc[nH+]c3c(C)cc(C)cc23)CC1 ZINC000095528611 132214944 /nfs/dbraw/zinc/21/49/44/132214944.db2.gz UNKNRHKTGJAUIC-UHFFFAOYSA-N 2 1 364.493 4.079 50 0 FIAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000215333106 568064369 /nfs/dbraw/zinc/06/43/69/568064369.db2.gz KAZKFVDSPJVIBG-QHCPKHFHSA-N 2 1 360.505 4.271 50 0 FIAAMP c1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2OCC[NH+]2CCCCC2)nc1 ZINC000216044310 568102380 /nfs/dbraw/zinc/10/23/80/568102380.db2.gz GPAYYTGICOSJKK-QFIPXVFZSA-N 2 1 365.521 4.283 50 0 FIAAMP CC[N@H+](Cc1ccncc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012307078 570734910 /nfs/dbraw/zinc/73/49/10/570734910.db2.gz GFJURNIMGGYZPT-UHFFFAOYSA-N 2 1 351.538 4.167 50 0 FIAAMP CC(=O)Oc1c(C)cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2C)cc1C ZINC000055036206 571115391 /nfs/dbraw/zinc/11/53/91/571115391.db2.gz KSRWLLBYQCHUNY-UHFFFAOYSA-N 2 1 363.461 4.013 50 0 FIAAMP Cc1nnc([C@@H]2C[N@H+](CC(C)C)CC23CC[NH+](CC2CCCCC2)CC3)o1 ZINC000675014899 1090896963 /nfs/dbraw/zinc/89/69/63/1090896963.db2.gz QAJNVOUVYUFKLS-FQEVSTJZSA-N 2 1 374.573 4.096 50 0 FIAAMP C[N@@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011667107 570705124 /nfs/dbraw/zinc/70/51/24/570705124.db2.gz OBIVEVRZSWHAQJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011667107 570705126 /nfs/dbraw/zinc/70/51/26/570705126.db2.gz OBIVEVRZSWHAQJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667107 570705128 /nfs/dbraw/zinc/70/51/28/570705128.db2.gz OBIVEVRZSWHAQJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1ccncc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011667107 570705130 /nfs/dbraw/zinc/70/51/30/570705130.db2.gz OBIVEVRZSWHAQJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(C)n3)CC2)C1 ZINC000091494089 571240288 /nfs/dbraw/zinc/24/02/88/571240288.db2.gz PBVAYXNMSWMVRB-QFIPXVFZSA-N 2 1 363.549 4.482 50 0 FIAAMP CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000230234259 571344770 /nfs/dbraw/zinc/34/47/70/571344770.db2.gz SKPYXSFULBZORD-DSKNIHGZSA-N 2 1 356.554 4.223 50 0 FIAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227120 /nfs/dbraw/zinc/22/71/20/1125227120.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227126 /nfs/dbraw/zinc/22/71/26/1125227126.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227131 /nfs/dbraw/zinc/22/71/31/1125227131.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 2 1 368.521 4.189 50 0 FIAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3-c3ccc(C)o3)C2)C1 ZINC000011842435 1125227137 /nfs/dbraw/zinc/22/71/37/1125227137.db2.gz QEKDCFNZSWTPPA-QHCPKHFHSA-N 2 1 368.521 4.189 50 0 FIAAMP CC(C)[C@H]1C[C@](CC[NH2+]C2CC[NH+](C)CC2)(Cc2ccccc2)CCO1 ZINC000009047119 210249564 /nfs/dbraw/zinc/24/95/64/210249564.db2.gz FVOUTONKTROUNU-PKTZIBPZSA-N 2 1 358.570 4.124 50 0 FIAAMP Cc1[nH+]ccn1-c1ccc(N2CCC([NH2+]C3CCCCCC3)CC2)cc1 ZINC000063884094 212035474 /nfs/dbraw/zinc/03/54/74/212035474.db2.gz TUSACAUZQHTHQS-UHFFFAOYSA-N 2 1 352.526 4.462 50 0 FIAAMP CC[N@H+](CCCSC)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014975391 211110701 /nfs/dbraw/zinc/11/07/01/211110701.db2.gz PXEJZEOULCMKPH-LJQANCHMSA-N 2 1 352.563 4.155 50 0 FIAAMP CC[N@@H+](CCCSC)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000014975391 211110705 /nfs/dbraw/zinc/11/07/05/211110705.db2.gz PXEJZEOULCMKPH-LJQANCHMSA-N 2 1 352.563 4.155 50 0 FIAAMP CC[NH+](CCCSC)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000014975391 211110713 /nfs/dbraw/zinc/11/07/13/211110713.db2.gz PXEJZEOULCMKPH-LJQANCHMSA-N 2 1 352.563 4.155 50 0 FIAAMP CC[NH+](CCCSC)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000014975391 211110719 /nfs/dbraw/zinc/11/07/19/211110719.db2.gz PXEJZEOULCMKPH-LJQANCHMSA-N 2 1 352.563 4.155 50 0 FIAAMP COc1ccccc1[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000013804699 211060352 /nfs/dbraw/zinc/06/03/52/211060352.db2.gz IRQFLDPUVMQMKX-KVPLUYHFSA-N 2 1 356.510 4.129 50 0 FIAAMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000216013067 568100647 /nfs/dbraw/zinc/10/06/47/568100647.db2.gz OONTWIALAOURRV-HNNXBMFYSA-N 2 1 356.470 4.062 50 0 FIAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)s2)cc1 ZINC000216130991 568107411 /nfs/dbraw/zinc/10/74/11/568107411.db2.gz SESYBILGWRBVMT-FQEVSTJZSA-N 2 1 370.566 4.142 50 0 FIAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000091876993 570441659 /nfs/dbraw/zinc/44/16/59/570441659.db2.gz IXCHDXCXJPFQQK-LJQANCHMSA-N 2 1 355.551 4.235 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cscn3)CC2)C1 ZINC000091876993 570441663 /nfs/dbraw/zinc/44/16/63/570441663.db2.gz IXCHDXCXJPFQQK-LJQANCHMSA-N 2 1 355.551 4.235 50 0 FIAAMP Cc1ccc(-n2cc(C[NH2+]C3CC[NH+](C)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000020118893 1089633372 /nfs/dbraw/zinc/63/33/72/1089633372.db2.gz UMPQOIQYIWVSSN-UHFFFAOYSA-N 2 1 374.532 4.340 50 0 FIAAMP COc1ccc(CC[N@H+](Cc2ccccc2C)CC2CC[NH+](C)CC2)cc1 ZINC000014976091 212016742 /nfs/dbraw/zinc/01/67/42/212016742.db2.gz KPHQHVZAYIZTFN-UHFFFAOYSA-N 2 1 366.549 4.390 50 0 FIAAMP Cc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n1 ZINC000015072702 220146419 /nfs/dbraw/zinc/14/64/19/220146419.db2.gz LMXLJZLSKORTGG-HSZRJFAPSA-N 2 1 371.569 4.026 50 0 FIAAMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000096148335 222050595 /nfs/dbraw/zinc/05/05/95/222050595.db2.gz ZNFGVGFOCJVQJF-UHFFFAOYSA-N 2 1 350.506 4.172 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3c(C)noc3C)CC2)C1 ZINC000091847136 570440580 /nfs/dbraw/zinc/44/05/80/570440580.db2.gz UOAHVTOUUZFLHG-NRFANRHFSA-N 2 1 367.537 4.383 50 0 FIAAMP c1ccc([C@H]2C[N@H+](C3CC3)CC3(CC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC000095384966 570460138 /nfs/dbraw/zinc/46/01/38/570460138.db2.gz GPNJNGQTXLRBLB-JOCHJYFZSA-N 2 1 361.533 4.316 50 0 FIAAMP CC[N@@H+](Cc1ccc(O)cc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011873292 570710490 /nfs/dbraw/zinc/71/04/90/570710490.db2.gz NQLJNIURVHLKPA-OAQYLSRUSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[N@H+](Cc1ccc(O)cc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011873292 570710492 /nfs/dbraw/zinc/71/04/92/570710492.db2.gz NQLJNIURVHLKPA-OAQYLSRUSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[NH+](Cc1ccc(O)cc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011873292 570710496 /nfs/dbraw/zinc/71/04/96/570710496.db2.gz NQLJNIURVHLKPA-OAQYLSRUSA-N 2 1 370.512 4.308 50 0 FIAAMP CC[NH+](Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011873292 570710499 /nfs/dbraw/zinc/71/04/99/570710499.db2.gz NQLJNIURVHLKPA-OAQYLSRUSA-N 2 1 370.512 4.308 50 0 FIAAMP Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000011874613 570710824 /nfs/dbraw/zinc/71/08/24/570710824.db2.gz IZAOJCFQZIXUJE-GOSISDBHSA-N 2 1 373.589 4.079 50 0 FIAAMP Fc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012387561 570741253 /nfs/dbraw/zinc/74/12/53/570741253.db2.gz MTGQEPSZWKLXMM-QFIPXVFZSA-N 2 1 374.544 4.461 50 0 FIAAMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000072301614 571055151 /nfs/dbraw/zinc/05/51/51/571055151.db2.gz GDWYXYMRBQRNCW-GOSISDBHSA-N 2 1 357.542 4.120 50 0 FIAAMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118732 571144961 /nfs/dbraw/zinc/14/49/61/571144961.db2.gz AZPAYJMLFAYWNS-HSZRJFAPSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118732 571144963 /nfs/dbraw/zinc/14/49/63/571144963.db2.gz AZPAYJMLFAYWNS-HSZRJFAPSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118732 571144966 /nfs/dbraw/zinc/14/49/66/571144966.db2.gz AZPAYJMLFAYWNS-HSZRJFAPSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccc(O)c4)C3)C2)c1 ZINC000055118732 571144970 /nfs/dbraw/zinc/14/49/70/571144970.db2.gz AZPAYJMLFAYWNS-HSZRJFAPSA-N 2 1 350.506 4.189 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358245 571208976 /nfs/dbraw/zinc/20/89/76/571208976.db2.gz OFGZIBZGESEQAA-SFHVURJKSA-N 2 1 367.522 4.155 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077358245 571208979 /nfs/dbraw/zinc/20/89/79/571208979.db2.gz OFGZIBZGESEQAA-SFHVURJKSA-N 2 1 367.522 4.155 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000091725893 571242918 /nfs/dbraw/zinc/24/29/18/571242918.db2.gz JJUABYMWHHAIDK-QFIPXVFZSA-N 2 1 364.533 4.484 50 0 FIAAMP Oc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000014958696 220137021 /nfs/dbraw/zinc/13/70/21/220137021.db2.gz RILFUQFOZRUPKN-XMMPIXPASA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000014958696 220137025 /nfs/dbraw/zinc/13/70/25/220137025.db2.gz RILFUQFOZRUPKN-XMMPIXPASA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000014958696 220137027 /nfs/dbraw/zinc/13/70/27/220137027.db2.gz RILFUQFOZRUPKN-XMMPIXPASA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000014958696 220137031 /nfs/dbraw/zinc/13/70/31/220137031.db2.gz RILFUQFOZRUPKN-XMMPIXPASA-N 2 1 364.533 4.313 50 0 FIAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccco2)CC1 ZINC000014969015 220137489 /nfs/dbraw/zinc/13/74/89/220137489.db2.gz ITMRWKXMVMSJQH-VMPITWQZSA-N 2 1 368.521 4.188 50 0 FIAAMP c1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000015074297 220145712 /nfs/dbraw/zinc/14/57/12/220145712.db2.gz BVIVIKHUAJXQOL-NRFANRHFSA-N 2 1 362.583 4.384 50 0 FIAAMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000216041649 568102261 /nfs/dbraw/zinc/10/22/61/568102261.db2.gz DCGZBUSHIBIBFS-IBGZPJMESA-N 2 1 354.523 4.034 50 0 FIAAMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C[NH+](C)C)cs1 ZINC000216041649 568102262 /nfs/dbraw/zinc/10/22/62/568102262.db2.gz DCGZBUSHIBIBFS-IBGZPJMESA-N 2 1 354.523 4.034 50 0 FIAAMP C[N@H+](Cc1cncs1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000095511730 570466056 /nfs/dbraw/zinc/46/60/56/570466056.db2.gz XVWKELJQOGGANQ-UHFFFAOYSA-N 2 1 363.958 4.183 50 0 FIAAMP C[NH+](C)CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714081 570667579 /nfs/dbraw/zinc/66/75/79/570667579.db2.gz LCFWFLDEKVUPBD-UHFFFAOYSA-N 2 1 371.488 4.451 50 0 FIAAMP Clc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000011820476 570708090 /nfs/dbraw/zinc/70/80/90/570708090.db2.gz QYTSNCFMXQJQKB-OAQYLSRUSA-N 2 1 369.940 4.469 50 0 FIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000011840378 570709411 /nfs/dbraw/zinc/70/94/11/570709411.db2.gz HFYZEUNVUMSYLZ-FQEVSTJZSA-N 2 1 374.544 4.342 50 0 FIAAMP CCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472175 570748724 /nfs/dbraw/zinc/74/87/24/570748724.db2.gz DNTCRFQTTGFQLJ-FQEVSTJZSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472175 570748725 /nfs/dbraw/zinc/74/87/25/570748725.db2.gz DNTCRFQTTGFQLJ-FQEVSTJZSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472175 570748727 /nfs/dbraw/zinc/74/87/27/570748727.db2.gz DNTCRFQTTGFQLJ-FQEVSTJZSA-N 2 1 370.537 4.237 50 0 FIAAMP CCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)o1 ZINC000012472175 570748728 /nfs/dbraw/zinc/74/87/28/570748728.db2.gz DNTCRFQTTGFQLJ-FQEVSTJZSA-N 2 1 370.537 4.237 50 0 FIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925723 570953314 /nfs/dbraw/zinc/95/33/14/570953314.db2.gz VNYCVVPWKQVMKO-XMMPIXPASA-N 2 1 371.613 4.312 50 0 FIAAMP CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925723 570953315 /nfs/dbraw/zinc/95/33/15/570953315.db2.gz VNYCVVPWKQVMKO-XMMPIXPASA-N 2 1 371.613 4.312 50 0 FIAAMP CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012705849 220018286 /nfs/dbraw/zinc/01/82/86/220018286.db2.gz CIVOHOACGRFCFD-UHFFFAOYSA-N 2 1 370.006 4.030 50 0 FIAAMP CC[N@@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012705849 220018288 /nfs/dbraw/zinc/01/82/88/220018288.db2.gz CIVOHOACGRFCFD-UHFFFAOYSA-N 3 1 370.006 4.030 50 0 FIAAMP CC[N@H+](Cc1ccc(Cl)s1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012705849 220018289 /nfs/dbraw/zinc/01/82/89/220018289.db2.gz CIVOHOACGRFCFD-UHFFFAOYSA-N 3 1 370.006 4.030 50 0 FIAAMP COc1ccc(C[NH2+]CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756202 220093315 /nfs/dbraw/zinc/09/33/15/220093315.db2.gz RTMYNEJVZJZFHI-ROKPMTFOSA-N 2 1 366.549 4.473 50 0 FIAAMP c1cn(Cc2cccnc2)c(C2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]1 ZINC000091663265 132203124 /nfs/dbraw/zinc/20/31/24/132203124.db2.gz IXMCJUGOYFQCCG-UHFFFAOYSA-N 2 1 369.472 4.259 50 0 FIAAMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2c1cc(F)cc2F ZINC000095452700 132211086 /nfs/dbraw/zinc/21/10/86/132211086.db2.gz UXGALQLVPUFPIP-OAQYLSRUSA-N 2 1 357.448 4.196 50 0 FIAAMP COc1ccc(/C=C/C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000011933927 570711749 /nfs/dbraw/zinc/71/17/49/570711749.db2.gz USCDVHCEJOZLGA-SNAWJCMRSA-N 2 1 368.521 4.454 50 0 FIAAMP CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925727 570953230 /nfs/dbraw/zinc/95/32/30/570953230.db2.gz VNYCVVPWKQVMKO-DEOSSOPVSA-N 2 1 371.613 4.312 50 0 FIAAMP CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000022925727 570953231 /nfs/dbraw/zinc/95/32/31/570953231.db2.gz VNYCVVPWKQVMKO-DEOSSOPVSA-N 2 1 371.613 4.312 50 0 FIAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3c(F)ccc(F)c3F)CC2)o1 ZINC000055153410 571116970 /nfs/dbraw/zinc/11/69/70/571116970.db2.gz KUNZRYMNAOMSGC-UHFFFAOYSA-N 2 1 366.427 4.349 50 0 FIAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3c(F)ccc(F)c3F)CC2)o1 ZINC000055153410 571116972 /nfs/dbraw/zinc/11/69/72/571116972.db2.gz KUNZRYMNAOMSGC-UHFFFAOYSA-N 2 1 366.427 4.349 50 0 FIAAMP CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427356 571194747 /nfs/dbraw/zinc/19/47/47/571194747.db2.gz BSYRVMAQRGDSQF-JOCHJYFZSA-N 2 1 358.570 4.088 50 0 FIAAMP CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427356 571194750 /nfs/dbraw/zinc/19/47/50/571194750.db2.gz BSYRVMAQRGDSQF-JOCHJYFZSA-N 2 1 358.570 4.088 50 0 FIAAMP C[NH+](C)CCn1c2ccccc2n(Cc2ccc(-c3ccccc3)cc2)c1=[NH2+] ZINC000253470651 571318537 /nfs/dbraw/zinc/31/85/37/571318537.db2.gz VELYQHQBRJRHQT-UHFFFAOYSA-N 2 1 370.500 4.199 50 0 FIAAMP Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2ccccc2)CC[NH+](CC(C)C)CC3)o1 ZINC000257197058 1115731199 /nfs/dbraw/zinc/73/11/99/1115731199.db2.gz ZJBVXRZWVYUUPP-FQEVSTJZSA-N 2 1 368.525 4.063 50 0 FIAAMP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3coc(C)n3)CC2)C1 ZINC000096142110 222046434 /nfs/dbraw/zinc/04/64/34/222046434.db2.gz RGEXKVRDDOAGRK-HXUWFJFHSA-N 2 1 353.510 4.075 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3coc(C)n3)CC2)C1 ZINC000096142110 222046437 /nfs/dbraw/zinc/04/64/37/222046437.db2.gz RGEXKVRDDOAGRK-HXUWFJFHSA-N 2 1 353.510 4.075 50 0 FIAAMP COCC[N@@H+](CC1CCCC1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000020451310 523688298 /nfs/dbraw/zinc/68/82/98/523688298.db2.gz ANGIQLVZFRWOEJ-NRFANRHFSA-N 2 1 370.581 4.004 50 0 FIAAMP COCC[NH+](CC1CCCC1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020451310 523688303 /nfs/dbraw/zinc/68/83/03/523688303.db2.gz ANGIQLVZFRWOEJ-NRFANRHFSA-N 2 1 370.581 4.004 50 0 FIAAMP COCC[NH+](CC1CCCC1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020451310 523688310 /nfs/dbraw/zinc/68/83/10/523688310.db2.gz ANGIQLVZFRWOEJ-NRFANRHFSA-N 2 1 370.581 4.004 50 0 FIAAMP c1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2OCC[NH+]2CCCCC2)nc1 ZINC000216044262 568102398 /nfs/dbraw/zinc/10/23/98/568102398.db2.gz GPAYYTGICOSJKK-JOCHJYFZSA-N 2 1 365.521 4.283 50 0 FIAAMP CN(Cc1cnn(-c2ccccc2Cl)c1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216233236 568113793 /nfs/dbraw/zinc/11/37/93/568113793.db2.gz LRQWQKCQPYVBQF-UHFFFAOYSA-N 2 1 366.896 4.103 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3c(C)noc3C)CC2)C1 ZINC000091847135 570440606 /nfs/dbraw/zinc/44/06/06/570440606.db2.gz UOAHVTOUUZFLHG-OAQYLSRUSA-N 2 1 367.537 4.383 50 0 FIAAMP Cn1c2c(c3c1CC[N@H+](C)[C@H]3c1ccccc1)[C@H](c1ccccc1)[NH+](C)CC2 ZINC000004863090 570552441 /nfs/dbraw/zinc/55/24/41/570552441.db2.gz RXOZEZKDLQNAGD-DQEYMECFSA-N 2 1 371.528 4.180 50 0 FIAAMP C[C@H](C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1)[NH+]1CCCC1 ZINC000072423476 571193843 /nfs/dbraw/zinc/19/38/43/571193843.db2.gz WPDKVMWKWRJDQV-GOSISDBHSA-N 2 1 356.558 4.221 50 0 FIAAMP CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427357 571194910 /nfs/dbraw/zinc/19/49/10/571194910.db2.gz BSYRVMAQRGDSQF-QFIPXVFZSA-N 2 1 358.570 4.088 50 0 FIAAMP CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072427357 571194911 /nfs/dbraw/zinc/19/49/11/571194911.db2.gz BSYRVMAQRGDSQF-QFIPXVFZSA-N 2 1 358.570 4.088 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCc3ccccn3)CC2)C1 ZINC000091725385 571242966 /nfs/dbraw/zinc/24/29/66/571242966.db2.gz AKWZBPLNXBAQMU-QFIPXVFZSA-N 2 1 363.549 4.216 50 0 FIAAMP CC(C)C[N@H+]1C[C@@H](c2ncco2)C2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC000675015247 1090898091 /nfs/dbraw/zinc/89/80/91/1090898091.db2.gz VOJUZFMKWZFSPA-FQEVSTJZSA-N 2 1 359.558 4.392 50 0 FIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2F)CC1)C1CCCCC1 ZINC000012707555 220019754 /nfs/dbraw/zinc/01/97/54/220019754.db2.gz PBILIOWFNPKYEH-UHFFFAOYSA-N 2 1 362.533 4.319 50 0 FIAAMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000060368536 221130582 /nfs/dbraw/zinc/13/05/82/221130582.db2.gz UNPMEYMQKWGFIN-IYBDPMFKSA-N 2 1 370.459 4.027 50 0 FIAAMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012383428 570947033 /nfs/dbraw/zinc/94/70/33/570947033.db2.gz BZEHPSXJDGIMCW-IBGZPJMESA-N 2 1 352.522 4.271 50 0 FIAAMP CC[N@@H+](C[C@H](C)CCC=C(C)C)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000014967048 220137361 /nfs/dbraw/zinc/13/73/61/220137361.db2.gz HDACZKCVBJCJAK-OAQYLSRUSA-N 2 1 363.634 4.497 50 0 FIAAMP CC[N@H+](C[C@H](C)CCC=C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000014967048 220137364 /nfs/dbraw/zinc/13/73/64/220137364.db2.gz HDACZKCVBJCJAK-OAQYLSRUSA-N 3 1 363.634 4.497 50 0 FIAAMP CC[N@@H+](C[C@H](C)CCC=C(C)C)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000014967048 220137366 /nfs/dbraw/zinc/13/73/66/220137366.db2.gz HDACZKCVBJCJAK-OAQYLSRUSA-N 3 1 363.634 4.497 50 0 FIAAMP COc1ccc(CC[N@H+](Cc2ccc(C)s2)CC2CC[NH+](C)CC2)cc1 ZINC000015062160 220142543 /nfs/dbraw/zinc/14/25/43/220142543.db2.gz SSRDWOUKWLQYEI-UHFFFAOYSA-N 2 1 372.578 4.452 50 0 FIAAMP CCCc1cc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000095524690 132214724 /nfs/dbraw/zinc/21/47/24/132214724.db2.gz PJTJLIIPQZXHQB-UHFFFAOYSA-N 2 1 358.917 4.150 50 0 FIAAMP c1sc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1C[NH+]1CCCC1 ZINC000216153512 568108770 /nfs/dbraw/zinc/10/87/70/568108770.db2.gz CGCWNNNNDKKEHP-UHFFFAOYSA-N 2 1 355.551 4.056 50 0 FIAAMP c1cncc(C[NH+](C[C@@H]2CCC[N@H+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821682 570708917 /nfs/dbraw/zinc/70/89/17/570708917.db2.gz ZUQVMONAYYMXOP-OAQYLSRUSA-N 2 1 371.569 4.107 50 0 FIAAMP c1cncc(C[N@@H+](C[C@@H]2CCC[NH+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821682 570708919 /nfs/dbraw/zinc/70/89/19/570708919.db2.gz ZUQVMONAYYMXOP-OAQYLSRUSA-N 2 1 371.569 4.107 50 0 FIAAMP c1cncc(C[N@H+](C[C@@H]2CCC[NH+](C3CCCCC3)C2)C2CCOCC2)c1 ZINC000011821682 570708920 /nfs/dbraw/zinc/70/89/20/570708920.db2.gz ZUQVMONAYYMXOP-OAQYLSRUSA-N 2 1 371.569 4.107 50 0 FIAAMP Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000011874614 570710951 /nfs/dbraw/zinc/71/09/51/570710951.db2.gz IZAOJCFQZIXUJE-SFHVURJKSA-N 2 1 373.589 4.079 50 0 FIAAMP C[N@H+](Cc1cccnc1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000012448785 570746552 /nfs/dbraw/zinc/74/65/52/570746552.db2.gz WMGDVGXZPONCGO-UHFFFAOYSA-N 2 1 357.929 4.122 50 0 FIAAMP C[C@@H](C1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1)[NH+]1CCCC1 ZINC000072422885 571193535 /nfs/dbraw/zinc/19/35/35/571193535.db2.gz OKXLSJJAGQVETA-SFHVURJKSA-N 2 1 361.599 4.040 50 0 FIAAMP CNc1nc(N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)cc(C)[nH+]1 ZINC000072424245 571193954 /nfs/dbraw/zinc/19/39/54/571193954.db2.gz IIAJQZDKWSRPGB-FQEVSTJZSA-N 2 1 367.541 4.102 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436624 571211493 /nfs/dbraw/zinc/21/14/93/571211493.db2.gz XLUPAQLNJYPMDI-OAQYLSRUSA-N 2 1 361.493 4.093 50 0 FIAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000077436624 571211495 /nfs/dbraw/zinc/21/14/95/571211495.db2.gz XLUPAQLNJYPMDI-OAQYLSRUSA-N 2 1 361.493 4.093 50 0 FIAAMP Oc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000014958700 220137382 /nfs/dbraw/zinc/13/73/82/220137382.db2.gz RILFUQFOZRUPKN-DEOSSOPVSA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)cc1 ZINC000014958700 220137384 /nfs/dbraw/zinc/13/73/84/220137384.db2.gz RILFUQFOZRUPKN-DEOSSOPVSA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000014958700 220137386 /nfs/dbraw/zinc/13/73/86/220137386.db2.gz RILFUQFOZRUPKN-DEOSSOPVSA-N 2 1 364.533 4.313 50 0 FIAAMP Oc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000014958700 220137388 /nfs/dbraw/zinc/13/73/88/220137388.db2.gz RILFUQFOZRUPKN-DEOSSOPVSA-N 2 1 364.533 4.313 50 0 FIAAMP CCc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000015072765 220146465 /nfs/dbraw/zinc/14/64/65/220146465.db2.gz NQGNNIKJNLTIHL-JOCHJYFZSA-N 2 1 374.569 4.478 50 0 FIAAMP c1ccc(C[NH+]2CCC(CC[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000063856837 221143893 /nfs/dbraw/zinc/14/38/93/221143893.db2.gz PACCWGFFQRFXFD-BJKOFHAPSA-N 3 1 369.597 4.143 50 0 FIAAMP c1ccc(C[NH+]2CCC(CC[NH2+]C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000063856837 221143896 /nfs/dbraw/zinc/14/38/96/221143896.db2.gz PACCWGFFQRFXFD-BJKOFHAPSA-N 2 1 369.597 4.143 50 0 FIAAMP CC(C)[NH+]1CCC(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)CC1 ZINC000065430327 221218810 /nfs/dbraw/zinc/21/88/10/221218810.db2.gz GJIIKJACSYHEOW-QFIPXVFZSA-N 2 1 364.537 4.053 50 0 FIAAMP C[C@H]1CCC[N@@H+](CCOc2ccc(C[NH2+]Cc3ccc(Cl)nc3)cc2)C1 ZINC000065431885 221219069 /nfs/dbraw/zinc/21/90/69/221219069.db2.gz CYFNMXOEECBITQ-KRWDZBQOSA-N 2 1 373.928 4.136 50 0 FIAAMP Cc1ccc(COc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)cc1 ZINC000097287792 222172920 /nfs/dbraw/zinc/17/29/20/222172920.db2.gz MHKCOHSLJVIFPA-NRFANRHFSA-N 2 1 350.506 4.148 50 0 FIAAMP C[N@@H+](Cc1ccc(Cn2cccn2)cc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215107329 568052130 /nfs/dbraw/zinc/05/21/30/568052130.db2.gz XWTSVZKBZCTOAS-UHFFFAOYSA-N 2 1 374.532 4.159 50 0 FIAAMP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000092046492 570445860 /nfs/dbraw/zinc/44/58/60/570445860.db2.gz KUHAVWVCCALBIS-QFIPXVFZSA-N 2 1 364.533 4.484 50 0 FIAAMP COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000012111766 570718580 /nfs/dbraw/zinc/71/85/80/570718580.db2.gz XLHGGCLCPHDQCC-UHFFFAOYSA-N 2 1 352.522 4.082 50 0 FIAAMP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000014950435 570826458 /nfs/dbraw/zinc/82/64/58/570826458.db2.gz MEFQWDWGYSLLQY-FQEVSTJZSA-N 2 1 372.940 4.432 50 0 FIAAMP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000014950435 570826460 /nfs/dbraw/zinc/82/64/60/570826460.db2.gz MEFQWDWGYSLLQY-FQEVSTJZSA-N 2 1 372.940 4.432 50 0 FIAAMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950435 570826463 /nfs/dbraw/zinc/82/64/63/570826463.db2.gz MEFQWDWGYSLLQY-FQEVSTJZSA-N 2 1 372.940 4.432 50 0 FIAAMP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000014950435 570826465 /nfs/dbraw/zinc/82/64/65/570826465.db2.gz MEFQWDWGYSLLQY-FQEVSTJZSA-N 2 1 372.940 4.432 50 0 FIAAMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023153377 570957951 /nfs/dbraw/zinc/95/79/51/570957951.db2.gz XMNQKWYFJYZYSZ-UHFFFAOYSA-N 2 1 360.505 4.117 50 0 FIAAMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000072305614 571061511 /nfs/dbraw/zinc/06/15/11/571061511.db2.gz VELAYUPYUZNUOP-UHFFFAOYSA-N 2 1 359.341 4.316 50 0 FIAAMP COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCCCC1 ZINC000014959238 220137683 /nfs/dbraw/zinc/13/76/83/220137683.db2.gz JEASANDHYKVEMI-UHFFFAOYSA-N 2 1 374.569 4.188 50 0 FIAAMP Cc1ccc(C)c(-n2cc(C[NH2+]C3CC[NH+](C)CC3)c(-c3ccccc3)n2)c1 ZINC000015073958 220145332 /nfs/dbraw/zinc/14/53/32/220145332.db2.gz RQNDZLVHUNYRHZ-UHFFFAOYSA-N 2 1 374.532 4.340 50 0 FIAAMP CCc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000015072763 220145452 /nfs/dbraw/zinc/14/54/52/220145452.db2.gz NQGNNIKJNLTIHL-QFIPXVFZSA-N 2 1 374.569 4.478 50 0 FIAAMP Cc1cc(C[NH+]2CCCC2)cc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000096148829 222050640 /nfs/dbraw/zinc/05/06/40/222050640.db2.gz JPNCRPWYSLEMNT-UHFFFAOYSA-N 2 1 350.506 4.090 50 0 FIAAMP Clc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)cc1 ZINC000011820477 570708059 /nfs/dbraw/zinc/70/80/59/570708059.db2.gz QYTSNCFMXQJQKB-NRFANRHFSA-N 2 1 369.940 4.469 50 0 FIAAMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011873542 570710394 /nfs/dbraw/zinc/71/03/94/570710394.db2.gz JROGNEVSNLHYJJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[N@H+](Cc1cccnc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011873542 570710397 /nfs/dbraw/zinc/71/03/97/570710397.db2.gz JROGNEVSNLHYJJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873542 570710400 /nfs/dbraw/zinc/71/04/00/570710400.db2.gz JROGNEVSNLHYJJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP C[NH+](Cc1cccnc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011873542 570710403 /nfs/dbraw/zinc/71/04/03/570710403.db2.gz JROGNEVSNLHYJJ-FQEVSTJZSA-N 2 1 357.929 4.122 50 0 FIAAMP CC(C)C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012430273 570744282 /nfs/dbraw/zinc/74/42/82/570744282.db2.gz CBKGQFZSSXEHSS-XMMPIXPASA-N 2 1 370.581 4.003 50 0 FIAAMP CNc1nc(N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)cc(C)[nH+]1 ZINC000072424244 571193925 /nfs/dbraw/zinc/19/39/25/571193925.db2.gz IIAJQZDKWSRPGB-HXUWFJFHSA-N 2 1 367.541 4.102 50 0 FIAAMP Brc1cccc(CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000757079 219319341 /nfs/dbraw/zinc/31/93/41/219319341.db2.gz AGKSEXFEKDWOCB-UHFFFAOYSA-N 2 1 373.338 4.246 50 0 FIAAMP Brc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000000757079 219319344 /nfs/dbraw/zinc/31/93/44/219319344.db2.gz AGKSEXFEKDWOCB-UHFFFAOYSA-N 2 1 373.338 4.246 50 0 FIAAMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057992095 221096571 /nfs/dbraw/zinc/09/65/71/221096571.db2.gz YICQWIYCXHRRBM-UHFFFAOYSA-N 2 1 368.569 4.255 50 0 FIAAMP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c3c(C)c(C)ccc23)C1 ZINC000095527026 132214717 /nfs/dbraw/zinc/21/47/17/132214717.db2.gz LPBNLGMQETYEOK-GOSISDBHSA-N 2 1 364.493 4.079 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407855 571210487 /nfs/dbraw/zinc/21/04/87/571210487.db2.gz ZOTBVPUHSZHSFG-FQEVSTJZSA-N 2 1 367.472 4.166 50 0 FIAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000077407855 571210488 /nfs/dbraw/zinc/21/04/88/571210488.db2.gz ZOTBVPUHSZHSFG-FQEVSTJZSA-N 2 1 367.472 4.166 50 0 FIAAMP COc1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3CCn3cc[nH+]c3C)c(C)c2c1 ZINC000077519245 571214373 /nfs/dbraw/zinc/21/43/73/571214373.db2.gz OKBZWKYFONPDTC-SFHVURJKSA-N 2 1 366.509 4.435 50 0 FIAAMP COc1ccc2[nH]c(C[N@H+]3CCCC[C@H]3CCn3cc[nH+]c3C)c(C)c2c1 ZINC000077519245 571214374 /nfs/dbraw/zinc/21/43/74/571214374.db2.gz OKBZWKYFONPDTC-SFHVURJKSA-N 2 1 366.509 4.435 50 0 FIAAMP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cccc(C)n3)CC2)C1 ZINC000091494088 571240317 /nfs/dbraw/zinc/24/03/17/571240317.db2.gz PBVAYXNMSWMVRB-JOCHJYFZSA-N 2 1 363.549 4.482 50 0 FIAAMP CC(C)OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000096003191 571333757 /nfs/dbraw/zinc/33/37/57/571333757.db2.gz SKPYXSFULBZORD-TTWXDQCFSA-N 2 1 356.554 4.223 50 0 FIAAMP