smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2[nH+]c(Nc3ccc(-c4ccc(Nc5[nH]c6ccccc6[nH+]5)cc4)cc3)[nH]c2c1 ZINC000000640468 557032381 /nfs/dbraw/zinc/03/23/81/557032381.db2.gz DMCGYLOETYXJHG-UHFFFAOYSA-N 2 1 416.488 6.593 50 0 HKAAMP C[NH+](Cn1c2ccccc2n(C[N@H+](C)C2CCCCC2)c1=S)C1CCCCC1 ZINC000000711049 568465199 /nfs/dbraw/zinc/46/51/99/568465199.db2.gz KVLJWNBJNYIMGD-UHFFFAOYSA-N 2 1 400.636 5.616 50 0 HKAAMP C[NH+](C)CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714597 557749722 /nfs/dbraw/zinc/74/97/22/557749722.db2.gz HMENFTWLDDLMQQ-UHFFFAOYSA-N 2 1 405.933 5.105 50 0 HKAAMP Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC[NH+](C)C)cc1Cl ZINC000002714888 557749686 /nfs/dbraw/zinc/74/96/86/557749686.db2.gz YPFGJBXRKHSYGO-UHFFFAOYSA-N 2 1 419.960 5.413 50 0 HKAAMP C[NH+](C)CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714982 557750011 /nfs/dbraw/zinc/75/00/11/557750011.db2.gz FIESONXUXFQCAP-UHFFFAOYSA-N 2 1 405.933 5.105 50 0 HKAAMP c1[nH]c2ccccc2c1C[NH+]1CCC([N@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004271436 568957041 /nfs/dbraw/zinc/95/70/41/568957041.db2.gz KBRLSUOZEHLZMV-UHFFFAOYSA-N 2 1 423.604 5.877 50 0 HKAAMP c1[nH]c2ccccc2c1C[NH+]1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004271436 568957043 /nfs/dbraw/zinc/95/70/43/568957043.db2.gz KBRLSUOZEHLZMV-UHFFFAOYSA-N 2 1 423.604 5.877 50 0 HKAAMP CC[NH+](CC)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000007984387 568964218 /nfs/dbraw/zinc/96/42/18/568964218.db2.gz RIMSSINWKXXGRX-UHFFFAOYSA-N 2 1 408.373 5.067 50 0 HKAAMP C[NH+](C)CCC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000008373820 557784300 /nfs/dbraw/zinc/78/43/00/557784300.db2.gz YQDAQPBXIHQFBH-UHFFFAOYSA-N 2 1 417.380 5.767 50 0 HKAAMP COc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(C)c1C ZINC000012305931 558375025 /nfs/dbraw/zinc/37/50/25/558375025.db2.gz HPPXSKGWPPXFFH-UHFFFAOYSA-N 2 1 421.629 5.364 50 0 HKAAMP CCOc1ccccc1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012306094 558374980 /nfs/dbraw/zinc/37/49/80/558374980.db2.gz CTSDLWCUMOTJJU-UHFFFAOYSA-N 2 1 407.602 5.137 50 0 HKAAMP Cc1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc(C)c1O ZINC000012317933 558381362 /nfs/dbraw/zinc/38/13/62/558381362.db2.gz AEAQQIQRABLZAX-UHFFFAOYSA-N 2 1 407.602 5.061 50 0 HKAAMP Cc1ccccc1C[NH+]1CCC(C[N@@H+](CCCC(F)(F)F)Cc2cccnc2)CC1 ZINC000012387747 568681710 /nfs/dbraw/zinc/68/17/10/568681710.db2.gz QNPZWRKCNWROPL-UHFFFAOYSA-N 2 1 419.535 5.447 50 0 HKAAMP CSc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012448369 558415434 /nfs/dbraw/zinc/41/54/34/558415434.db2.gz KOEUKDOFPFHJKD-UHFFFAOYSA-N 2 1 409.643 5.460 50 0 HKAAMP CC[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012714457 558454413 /nfs/dbraw/zinc/45/44/13/558454413.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012714457 558454415 /nfs/dbraw/zinc/45/44/15/558454415.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012714457 558454418 /nfs/dbraw/zinc/45/44/18/558454418.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012714457 558454420 /nfs/dbraw/zinc/45/44/20/558454420.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012714459 558454335 /nfs/dbraw/zinc/45/43/35/558454335.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[N@H+](Cc1cccc2cnccc21)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012714459 558454337 /nfs/dbraw/zinc/45/43/37/558454337.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012714459 558454338 /nfs/dbraw/zinc/45/43/38/558454338.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[NH+](Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012714459 558454340 /nfs/dbraw/zinc/45/43/40/558454340.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 2 1 405.561 5.151 50 0 HKAAMP CC[N@H+](Cc1ccc(C2CCCC2)s1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012718543 558456217 /nfs/dbraw/zinc/45/62/17/558456217.db2.gz IQZVUJVERHLCQF-UHFFFAOYSA-N 2 1 403.680 5.034 50 0 HKAAMP CC[N@@H+](Cc1ccc(C2CCCC2)s1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012718543 558456220 /nfs/dbraw/zinc/45/62/20/558456220.db2.gz IQZVUJVERHLCQF-UHFFFAOYSA-N 3 1 403.680 5.034 50 0 HKAAMP CC[N@H+](Cc1ccc(C2CCCC2)s1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000012718543 558456224 /nfs/dbraw/zinc/45/62/24/558456224.db2.gz IQZVUJVERHLCQF-UHFFFAOYSA-N 3 1 403.680 5.034 50 0 HKAAMP Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000014199166 558635136 /nfs/dbraw/zinc/63/51/36/558635136.db2.gz NDZSAJKHOMXOHV-SANMLTNESA-N 2 1 413.565 5.060 50 0 HKAAMP Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2)cc1 ZINC000014199167 558635132 /nfs/dbraw/zinc/63/51/32/558635132.db2.gz NDZSAJKHOMXOHV-AREMUKBSSA-N 2 1 413.565 5.060 50 0 HKAAMP C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014997212 568723238 /nfs/dbraw/zinc/72/32/38/568723238.db2.gz RJBKQSIILZCVJN-MHZLTWQESA-N 2 1 417.572 5.176 50 0 HKAAMP C[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000014997215 568723278 /nfs/dbraw/zinc/72/32/78/568723278.db2.gz RJBKQSIILZCVJN-HHHXNRCGSA-N 2 1 417.572 5.176 50 0 HKAAMP Cc1cc(C)c(-n2cccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000022077804 558462720 /nfs/dbraw/zinc/46/27/20/558462720.db2.gz WROOLCRGWWDIBZ-UHFFFAOYSA-N 2 1 401.598 5.199 50 0 HKAAMP Fc1ccccc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723306 569000798 /nfs/dbraw/zinc/00/07/98/569000798.db2.gz KJEYEWZPJZUUEN-UNMCSNQZSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723306 569000801 /nfs/dbraw/zinc/00/08/01/569000801.db2.gz KJEYEWZPJZUUEN-UNMCSNQZSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723308 557425843 /nfs/dbraw/zinc/42/58/43/557425843.db2.gz KJEYEWZPJZUUEN-IRLDBZIGSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723308 557425846 /nfs/dbraw/zinc/42/58/46/557425846.db2.gz KJEYEWZPJZUUEN-IRLDBZIGSA-N 2 1 420.494 5.546 50 0 HKAAMP Cc1ccsc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034723323 557425977 /nfs/dbraw/zinc/42/59/77/557425977.db2.gz ZFZHGVWLLCDCLE-FPOVZHCZSA-N 2 1 422.560 5.777 50 0 HKAAMP Cc1ccsc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034723325 557425861 /nfs/dbraw/zinc/42/58/61/557425861.db2.gz ZFZHGVWLLCDCLE-CTNGQTDRSA-N 2 1 422.560 5.777 50 0 HKAAMP Fc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000034723336 557425941 /nfs/dbraw/zinc/42/59/41/557425941.db2.gz HMSBSIHKMUYPFY-REWPJTCUSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000034723336 557425944 /nfs/dbraw/zinc/42/59/44/557425944.db2.gz HMSBSIHKMUYPFY-REWPJTCUSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1cccc(C[N@@H+]2C[C@@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034723338 557425905 /nfs/dbraw/zinc/42/59/05/557425905.db2.gz HMSBSIHKMUYPFY-OFNKIYASSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1cccc(C[N@H+]2C[C@@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034723338 557425907 /nfs/dbraw/zinc/42/59/07/557425907.db2.gz HMSBSIHKMUYPFY-OFNKIYASSA-N 2 1 420.494 5.546 50 0 HKAAMP COc1cccc([C@@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2C[NH+](C)C2CCCCC2)c1 ZINC000034723439 557425989 /nfs/dbraw/zinc/42/59/89/557425989.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@@H]2C[NH+](Cc3sccc3C)C[C@@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000034723439 557425991 /nfs/dbraw/zinc/42/59/91/557425991.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@@H]2C[NH+](Cc3sccc3C)C[C@@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000034723439 557425993 /nfs/dbraw/zinc/42/59/93/557425993.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@@H]2C[N@@H+](Cc3sccc3C)C[C@H]2C[NH+](C)C2CCCCC2)c1 ZINC000034723441 557425953 /nfs/dbraw/zinc/42/59/53/557425953.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@@H]2C[NH+](Cc3sccc3C)C[C@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000034723441 557425955 /nfs/dbraw/zinc/42/59/55/557425955.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@@H]2C[NH+](Cc3sccc3C)C[C@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000034723441 557425957 /nfs/dbraw/zinc/42/59/57/557425957.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 2 1 412.643 5.545 50 0 HKAAMP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000040103364 571163985 /nfs/dbraw/zinc/16/39/85/571163985.db2.gz IEEZRZGMDFTEKB-UHFFFAOYSA-N 2 1 422.617 5.047 50 0 HKAAMP Cc1nn(C(C)C)c(C)c1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000055060518 558871209 /nfs/dbraw/zinc/87/12/09/558871209.db2.gz VJHQCCNYALSKLM-UHFFFAOYSA-N 2 1 423.649 5.133 50 0 HKAAMP CC[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055088200 558871712 /nfs/dbraw/zinc/87/17/12/558871712.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 2 1 417.597 5.020 50 0 HKAAMP CC[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055088200 558871713 /nfs/dbraw/zinc/87/17/13/558871713.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 2 1 417.597 5.020 50 0 HKAAMP CC[NH+](Cc1cccc2cccnc21)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055088200 558871714 /nfs/dbraw/zinc/87/17/14/558871714.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 2 1 417.597 5.020 50 0 HKAAMP CC[N@H+](Cc1cccc2cccnc21)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000055088205 558871684 /nfs/dbraw/zinc/87/16/84/558871684.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 2 1 417.597 5.020 50 0 HKAAMP CC[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055088205 558871686 /nfs/dbraw/zinc/87/16/86/558871686.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 2 1 417.597 5.020 50 0 HKAAMP CC[NH+](Cc1cccc2cccnc21)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000055088205 558871689 /nfs/dbraw/zinc/87/16/89/558871689.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 2 1 417.597 5.020 50 0 HKAAMP Clc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000055271710 558878418 /nfs/dbraw/zinc/87/84/18/558878418.db2.gz UTEAJGDZWJORIC-UHFFFAOYSA-N 2 1 404.023 5.453 50 0 HKAAMP Fc1ccc(/C=C/C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000067513951 558987122 /nfs/dbraw/zinc/98/71/22/558987122.db2.gz KMVOURLFAWILSH-GQCTYLIASA-N 2 1 407.577 5.391 50 0 HKAAMP Fc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000067713607 558991840 /nfs/dbraw/zinc/99/18/40/558991840.db2.gz HCZKBISMHMNDLB-UHFFFAOYSA-N 2 1 415.984 5.531 50 0 HKAAMP Fc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000067713607 558991842 /nfs/dbraw/zinc/99/18/42/558991842.db2.gz HCZKBISMHMNDLB-UHFFFAOYSA-N 2 1 415.984 5.531 50 0 HKAAMP Oc1ccc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1Cl ZINC000067743438 558992270 /nfs/dbraw/zinc/99/22/70/558992270.db2.gz NSPYBCXSRYMQPP-UHFFFAOYSA-N 2 1 413.993 5.097 50 0 HKAAMP Cn1cc(C[N@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC000067817330 558993408 /nfs/dbraw/zinc/99/34/08/558993408.db2.gz HFAYXNVTYXPRQD-UHFFFAOYSA-N 2 1 416.613 5.230 50 0 HKAAMP CCCCc1ncc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)[nH]1 ZINC000072420129 558978352 /nfs/dbraw/zinc/97/83/52/558978352.db2.gz PQMUTHPUOKDLHE-UHFFFAOYSA-N 2 1 417.601 5.244 50 0 HKAAMP CCCCc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)c[nH]1 ZINC000072420129 558978355 /nfs/dbraw/zinc/97/83/55/558978355.db2.gz PQMUTHPUOKDLHE-UHFFFAOYSA-N 2 1 417.601 5.244 50 0 HKAAMP CCCCc1nc(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)c[nH]1 ZINC000072420129 558978356 /nfs/dbraw/zinc/97/83/56/558978356.db2.gz PQMUTHPUOKDLHE-UHFFFAOYSA-N 2 1 417.601 5.244 50 0 HKAAMP FC(F)(F)[C@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367269 568947484 /nfs/dbraw/zinc/94/74/84/568947484.db2.gz UHKBAYYJWFEDTL-ROUUACIJSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947451 /nfs/dbraw/zinc/94/74/51/568947451.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947452 /nfs/dbraw/zinc/94/74/52/568947452.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947454 /nfs/dbraw/zinc/94/74/54/568947454.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398264 568948718 /nfs/dbraw/zinc/94/87/18/568948718.db2.gz JFVWSYMWJMWJKR-ROUUACIJSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398265 568948727 /nfs/dbraw/zinc/94/87/27/568948727.db2.gz JFVWSYMWJMWJKR-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398265 568948728 /nfs/dbraw/zinc/94/87/28/568948728.db2.gz JFVWSYMWJMWJKR-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000084398265 568948729 /nfs/dbraw/zinc/94/87/29/568948729.db2.gz JFVWSYMWJMWJKR-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953784 568668418 /nfs/dbraw/zinc/66/84/18/568668418.db2.gz CFRFOCRTJYWZJH-ROUUACIJSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668624 /nfs/dbraw/zinc/66/86/24/568668624.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668627 /nfs/dbraw/zinc/66/86/27/568668627.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccccc2C[NH+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668629 /nfs/dbraw/zinc/66/86/29/568668629.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 2 1 408.430 5.235 50 0 HKAAMP Fc1cccc(C[N@@H+]2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105047008 560860688 /nfs/dbraw/zinc/86/06/88/560860688.db2.gz HMSBSIHKMUYPFY-NFBKMPQASA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1cccc(C[N@H+]2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105047008 560860689 /nfs/dbraw/zinc/86/06/89/560860689.db2.gz HMSBSIHKMUYPFY-NFBKMPQASA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105047107 560860697 /nfs/dbraw/zinc/86/06/97/560860697.db2.gz KJEYEWZPJZUUEN-IFMALSPDSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105047107 560860699 /nfs/dbraw/zinc/86/06/99/560860699.db2.gz KJEYEWZPJZUUEN-IFMALSPDSA-N 2 1 420.494 5.546 50 0 HKAAMP COc1cccc([C@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2C[NH+](C)C2CCCCC2)c1 ZINC000105047353 560860657 /nfs/dbraw/zinc/86/06/57/560860657.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@H]2C[NH+](Cc3sccc3C)C[C@@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000105047353 560860658 /nfs/dbraw/zinc/86/06/58/560860658.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@H]2C[NH+](Cc3sccc3C)C[C@@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000105047353 560860660 /nfs/dbraw/zinc/86/06/60/560860660.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 2 1 412.643 5.545 50 0 HKAAMP Fc1cccc(C[N@@H+]2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169677812 569125374 /nfs/dbraw/zinc/12/53/74/569125374.db2.gz HMSBSIHKMUYPFY-NZQKXSOJSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1cccc(C[N@H+]2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169677812 569125375 /nfs/dbraw/zinc/12/53/75/569125375.db2.gz HMSBSIHKMUYPFY-NZQKXSOJSA-N 2 1 420.494 5.546 50 0 HKAAMP Cc1ccsc1C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169678744 569126268 /nfs/dbraw/zinc/12/62/68/569126268.db2.gz ZFZHGVWLLCDCLE-TZIWHRDSSA-N 2 1 422.560 5.777 50 0 HKAAMP Cc1ccsc1C[N@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169678745 569126261 /nfs/dbraw/zinc/12/62/61/569126261.db2.gz ZFZHGVWLLCDCLE-PZJWPPBQSA-N 2 1 422.560 5.777 50 0 HKAAMP Fc1ccccc1C[N@@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169679902 569127012 /nfs/dbraw/zinc/12/70/12/569127012.db2.gz KJEYEWZPJZUUEN-RBBKRZOGSA-N 2 1 420.494 5.546 50 0 HKAAMP Fc1ccccc1C[N@H+]1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000169679902 569127013 /nfs/dbraw/zinc/12/70/13/569127013.db2.gz KJEYEWZPJZUUEN-RBBKRZOGSA-N 2 1 420.494 5.546 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222118322 569039794 /nfs/dbraw/zinc/03/97/94/569039794.db2.gz CFRFOCRTJYWZJH-QZTJIDSGSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000229703424 569040606 /nfs/dbraw/zinc/04/06/06/569040606.db2.gz JFVWSYMWJMWJKR-QZTJIDSGSA-N 2 1 408.430 5.235 50 0 HKAAMP FC(F)(F)[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000229706359 569040568 /nfs/dbraw/zinc/04/05/68/569040568.db2.gz UHKBAYYJWFEDTL-QZTJIDSGSA-N 2 1 408.430 5.235 50 0 HKAAMP COc1cccc([C@H]2C[N@@H+](Cc3sccc3C)C[C@H]2C[NH+](C)C2CCCCC2)c1 ZINC000245326583 571224979 /nfs/dbraw/zinc/22/49/79/571224979.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@H]2C[NH+](Cc3sccc3C)C[C@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000245326583 571224982 /nfs/dbraw/zinc/22/49/82/571224982.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 2 1 412.643 5.545 50 0 HKAAMP COc1cccc([C@H]2C[NH+](Cc3sccc3C)C[C@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000245326583 571224985 /nfs/dbraw/zinc/22/49/85/571224985.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 2 1 412.643 5.545 50 0 HKAAMP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1 ZINC000253470645 569380989 /nfs/dbraw/zinc/38/09/89/569380989.db2.gz UKLHUJUCGLPMRU-UHFFFAOYSA-N 2 1 410.565 5.123 50 0 HKAAMP