smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000095968260 185046517 /nfs/dbraw/zinc/04/65/17/185046517.db2.gz OTECVMHJLUSALA-CGTJXYLNSA-N 2 1 290.451 2.912 50 0 CFAAMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000095968260 185046519 /nfs/dbraw/zinc/04/65/19/185046519.db2.gz OTECVMHJLUSALA-CGTJXYLNSA-N 2 1 290.451 2.912 50 0 CFAAMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000095968262 185046808 /nfs/dbraw/zinc/04/68/08/185046808.db2.gz OTECVMHJLUSALA-JQHSSLGASA-N 2 1 290.451 2.912 50 0 CFAAMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000095968262 185046809 /nfs/dbraw/zinc/04/68/09/185046809.db2.gz OTECVMHJLUSALA-JQHSSLGASA-N 2 1 290.451 2.912 50 0 CFAAMP CCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000023282809 346252390 /nfs/dbraw/zinc/25/23/90/346252390.db2.gz QDXJILSWYXJZIF-UHFFFAOYSA-N 2 1 258.409 2.919 50 0 CFAAMP CCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000023282809 346252392 /nfs/dbraw/zinc/25/23/92/346252392.db2.gz QDXJILSWYXJZIF-UHFFFAOYSA-N 2 1 258.409 2.919 50 0 CFAAMP C[C@H](CCCO)[NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000195553553 348146092 /nfs/dbraw/zinc/14/60/92/348146092.db2.gz KJHPXEWVWLUHRC-HUUCEWRRSA-N 2 1 268.445 2.534 50 0 CFAAMP C[C@H](CCCO)[NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000195553553 348146094 /nfs/dbraw/zinc/14/60/94/348146094.db2.gz KJHPXEWVWLUHRC-HUUCEWRRSA-N 2 1 268.445 2.534 50 0 CFAAMP Cc1csc(C[NH2+][C@H](C)CCn2cc[nH+]c2C)n1 ZINC000584888370 348728368 /nfs/dbraw/zinc/72/83/68/348728368.db2.gz FJCZXHOYXKWXRM-SNVBAGLBSA-N 2 1 264.398 2.525 50 0 CFAAMP CC[N@H+]1CCC[C@H](C[NH+](C)C2CCSCC2)C1 ZINC000032593228 372447294 /nfs/dbraw/zinc/44/72/94/372447294.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[NH+]1CCC[C@H](C[N@H+](C)C2CCSCC2)C1 ZINC000032593228 372447299 /nfs/dbraw/zinc/44/72/99/372447299.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[NH+]1CCC[C@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000032593228 372447303 /nfs/dbraw/zinc/44/73/03/372447303.db2.gz NTYIEYPUKUXUHT-CYBMUJFWSA-N 2 1 256.459 2.546 50 0 CFAAMP COc1ccc2ccccc2c1C[NH2+]CCC[NH+](C)C ZINC000057263071 373583396 /nfs/dbraw/zinc/58/33/96/373583396.db2.gz QBRDHEYFGJFQHJ-UHFFFAOYSA-N 2 1 272.392 2.890 50 0 CFAAMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CCCC2)c1 ZINC000061030477 373711966 /nfs/dbraw/zinc/71/19/66/373711966.db2.gz VTKKVTDLNUKKKP-UHFFFAOYSA-N 2 1 274.408 2.551 50 0 CFAAMP COc1ccc(F)c(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067689258 373991810 /nfs/dbraw/zinc/99/18/10/373991810.db2.gz JOZCMWQIQNCCAG-UHFFFAOYSA-N 2 1 296.361 2.549 50 0 CFAAMP Cc1[nH+]ccc(N2CC[NH+](C(C)C)CC2)c1Cl ZINC000095412714 375435878 /nfs/dbraw/zinc/43/58/78/375435878.db2.gz PXXJIEOLFRJOIF-UHFFFAOYSA-N 2 1 253.777 2.574 50 0 CFAAMP CC(C)Cc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)s1 ZINC000097515119 375568726 /nfs/dbraw/zinc/56/87/26/375568726.db2.gz BCJLCDFQNSSIPH-GFCCVEGCSA-N 2 1 252.427 2.727 50 0 CFAAMP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)cc[nH+]1 ZINC000170597213 379124392 /nfs/dbraw/zinc/12/43/92/379124392.db2.gz PRVLBBINLUEQKL-UHFFFAOYSA-N 2 1 297.402 2.834 50 0 CFAAMP Nc1cc(C[N@H+]2CCSC3(CCCCC3)C2)ccn1 ZINC000191538896 382701291 /nfs/dbraw/zinc/70/12/91/382701291.db2.gz GNGUOXUZDVXGIK-UHFFFAOYSA-N 2 1 277.437 2.916 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000215911412 382781242 /nfs/dbraw/zinc/78/12/42/382781242.db2.gz XVPVNXRQAPZQFS-UHFFFAOYSA-N 2 1 268.364 2.805 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc2cc[nH]c21 ZINC000215911412 382781243 /nfs/dbraw/zinc/78/12/43/382781243.db2.gz XVPVNXRQAPZQFS-UHFFFAOYSA-N 2 1 268.364 2.805 50 0 CFAAMP c1cc(OC2CCCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216401074 382783797 /nfs/dbraw/zinc/78/37/97/382783797.db2.gz CDXRZGZFCHHRRW-IYBDPMFKSA-N 2 1 286.419 2.659 50 0 CFAAMP c1cc(OC2CCCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216401074 382783799 /nfs/dbraw/zinc/78/37/99/382783799.db2.gz CDXRZGZFCHHRRW-IYBDPMFKSA-N 2 1 286.419 2.659 50 0 CFAAMP Cc1nc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cs1 ZINC000261954927 383585864 /nfs/dbraw/zinc/58/58/64/383585864.db2.gz OLXOFJAFULRCJS-CQSZACIVSA-N 2 1 265.426 2.588 50 0 CFAAMP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984102 383590241 /nfs/dbraw/zinc/59/02/41/383590241.db2.gz JMPLMMVYBMQNGC-DZGCQCFKSA-N 2 1 279.453 2.760 50 0 CFAAMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984102 383590243 /nfs/dbraw/zinc/59/02/43/383590243.db2.gz JMPLMMVYBMQNGC-DZGCQCFKSA-N 2 1 279.453 2.760 50 0 CFAAMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262033450 383597475 /nfs/dbraw/zinc/59/74/75/383597475.db2.gz XKYSIIQWJNVUPP-JMGFVUJMSA-N 2 1 262.372 2.598 50 0 CFAAMP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502722 393834618 /nfs/dbraw/zinc/83/46/18/393834618.db2.gz JZUXBIADDVIZDY-IRXDYDNUSA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502722 393834624 /nfs/dbraw/zinc/83/46/24/393834624.db2.gz JZUXBIADDVIZDY-IRXDYDNUSA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502722 393834630 /nfs/dbraw/zinc/83/46/30/393834630.db2.gz JZUXBIADDVIZDY-IRXDYDNUSA-N 2 1 293.499 2.715 50 0 CFAAMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533354 175197896 /nfs/dbraw/zinc/19/78/96/175197896.db2.gz VFETUJSFKPCWAY-HUUCEWRRSA-N 2 1 276.424 2.558 50 0 CFAAMP C[N@H+](CCc1ccccn1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072154518 176328162 /nfs/dbraw/zinc/32/81/62/176328162.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 2 1 287.451 2.820 50 0 CFAAMP C[N@@H+](CCc1ccccn1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072154518 176328163 /nfs/dbraw/zinc/32/81/63/176328163.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 2 1 287.451 2.820 50 0 CFAAMP C[NH+](CCc1ccccn1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072154518 176328164 /nfs/dbraw/zinc/32/81/64/176328164.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 2 1 287.451 2.820 50 0 CFAAMP C[NH+](CCc1ccccn1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072154518 176328165 /nfs/dbraw/zinc/32/81/65/176328165.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 2 1 287.451 2.820 50 0 CFAAMP COc1ccc([C@]2(CC[NH3+])C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013118894 295253231 /nfs/dbraw/zinc/25/32/31/295253231.db2.gz QCPLMTXDUPTFBC-GRDNDAEWSA-N 2 1 276.424 2.642 50 0 CFAAMP CCc1nc(CC[NH2+][C@H](C)CCn2cc[nH+]c2C)cs1 ZINC000534588827 328316875 /nfs/dbraw/zinc/31/68/75/328316875.db2.gz UJUYURIDVZQOSW-GFCCVEGCSA-N 2 1 292.452 2.821 50 0 CFAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](CCCCOc1ccccc1)C2 ZINC000534646478 328329298 /nfs/dbraw/zinc/32/92/98/328329298.db2.gz ONDNGZKNMXMELU-SCAQPMJSSA-N 2 1 274.408 2.515 50 0 CFAAMP C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000098020454 545572035 /nfs/dbraw/zinc/57/20/35/545572035.db2.gz SFKPDBAQGVQXRS-OAHLLOKOSA-N 2 1 260.381 2.584 50 0 CFAAMP Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000089582696 623693091 /nfs/dbraw/zinc/69/30/91/623693091.db2.gz QUVNKBHPWSAEHA-OAHLLOKOSA-N 2 1 274.408 2.811 50 0 CFAAMP CCc1cc(NCC[N@H+]2CCCOCC2)c2ccccc2[nH+]1 ZINC000188489961 650332281 /nfs/dbraw/zinc/33/22/81/650332281.db2.gz UOMOOJLPTQSIJE-UHFFFAOYSA-N 2 1 299.418 2.931 50 0 CFAAMP CCC[NH+]1CCC(N2CC[N@@H+](C(C)C)[C@@H](CC)C2)CC1 ZINC000019781996 651293897 /nfs/dbraw/zinc/29/38/97/651293897.db2.gz QXEREMLSTNKZRI-INIZCTEOSA-N 2 1 281.488 2.665 50 0 CFAAMP CC[N@H+]1CCC[C@@H](CN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000020999194 651302709 /nfs/dbraw/zinc/30/27/09/651302709.db2.gz GDAJOKJEOCFCAI-QGZVFWFLSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000020999194 651302710 /nfs/dbraw/zinc/30/27/10/651302710.db2.gz GDAJOKJEOCFCAI-QGZVFWFLSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000020999194 651302713 /nfs/dbraw/zinc/30/27/13/651302713.db2.gz GDAJOKJEOCFCAI-QGZVFWFLSA-N 2 1 293.499 2.669 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1F ZINC000095969052 185047882 /nfs/dbraw/zinc/04/78/82/185047882.db2.gz GANPCTVYBJTDBX-SMDDNHRTSA-N 2 1 289.354 2.759 50 0 CFAAMP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245343816 348252158 /nfs/dbraw/zinc/25/21/58/348252158.db2.gz VUWRZGJYAXLRIP-BBWFWOEESA-N 2 1 288.435 2.979 50 0 CFAAMP Cc1csc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000585140420 348736185 /nfs/dbraw/zinc/73/61/85/348736185.db2.gz DOEDMACOHIWBNZ-UHFFFAOYSA-N 2 1 288.420 2.559 50 0 CFAAMP Cc1csc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000585140420 348736188 /nfs/dbraw/zinc/73/61/88/348736188.db2.gz DOEDMACOHIWBNZ-UHFFFAOYSA-N 2 1 288.420 2.559 50 0 CFAAMP COc1ccccc1/C=C\C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000606444625 351270996 /nfs/dbraw/zinc/27/09/96/351270996.db2.gz LKHGZHWJNCVCFP-IUCKJTJTSA-N 2 1 262.397 2.638 50 0 CFAAMP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)CC1(C)COC1 ZINC000823683749 781936610 /nfs/dbraw/zinc/93/66/10/781936610.db2.gz KUMQFANCJAJQTD-UHFFFAOYSA-N 2 1 294.464 2.812 50 0 CFAAMP CCCCc1ncc(CN(C)C[C@@H]2CC[N@H+](CC)C2)[nH]1 ZINC000670438674 540995129 /nfs/dbraw/zinc/99/51/29/540995129.db2.gz FWNTZYPFXJHVTH-AWEZNQCLSA-N 2 1 278.444 2.526 50 0 CFAAMP CCCCc1ncc(CN(C)C[C@@H]2CC[N@@H+](CC)C2)[nH]1 ZINC000670438674 540995132 /nfs/dbraw/zinc/99/51/32/540995132.db2.gz FWNTZYPFXJHVTH-AWEZNQCLSA-N 2 1 278.444 2.526 50 0 CFAAMP CCCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000004105187 371832657 /nfs/dbraw/zinc/83/26/57/371832657.db2.gz RWHFAMLHBCFRGK-GOSISDBHSA-N 2 1 290.451 2.792 50 0 CFAAMP C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011888808 371933480 /nfs/dbraw/zinc/93/34/80/371933480.db2.gz UBQXDXFPOHBPAE-AWEZNQCLSA-N 2 1 266.816 2.814 50 0 CFAAMP Cc1ccc(C(C)(C)C)c(OCCC[NH2+]CC[NH3+])c1 ZINC000020118387 372233350 /nfs/dbraw/zinc/23/33/50/372233350.db2.gz HNFXGDVXSGJABD-UHFFFAOYSA-N 2 1 264.413 2.610 50 0 CFAAMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000037644237 372681718 /nfs/dbraw/zinc/68/17/18/372681718.db2.gz LKLLGNPVOCCTPT-OAHLLOKOSA-N 2 1 292.423 2.525 50 0 CFAAMP CCc1nc(NCCC23CCC[NH+]2CCC3)cc(C)[nH+]1 ZINC000065461019 373875752 /nfs/dbraw/zinc/87/57/52/373875752.db2.gz IDKAFSSBXYTMDW-UHFFFAOYSA-N 2 1 274.412 2.778 50 0 CFAAMP Cc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000095972566 375464295 /nfs/dbraw/zinc/46/42/95/375464295.db2.gz GEUCCHKBFAKSCR-UHFFFAOYSA-N 2 1 282.391 2.862 50 0 CFAAMP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139205 375527047 /nfs/dbraw/zinc/52/70/47/375527047.db2.gz ZUVURSWSSPQVGO-CQSZACIVSA-N 2 1 273.380 2.776 50 0 CFAAMP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139205 375527049 /nfs/dbraw/zinc/52/70/49/375527049.db2.gz ZUVURSWSSPQVGO-CQSZACIVSA-N 2 1 273.380 2.776 50 0 CFAAMP CC(C)COCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369513036 381277398 /nfs/dbraw/zinc/27/73/98/381277398.db2.gz YSAKHPGHTQMIIM-INIZCTEOSA-N 2 1 268.445 2.609 50 0 CFAAMP CC(C)COCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369513036 381277404 /nfs/dbraw/zinc/27/74/04/381277404.db2.gz YSAKHPGHTQMIIM-INIZCTEOSA-N 2 1 268.445 2.609 50 0 CFAAMP C[N@H+]1CCC[C@@H]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000299795611 382049730 /nfs/dbraw/zinc/04/97/30/382049730.db2.gz LLIHFGDVKDWWIN-MRXNPFEDSA-N 2 1 274.408 2.802 50 0 CFAAMP CC1(C)C[N@@H+](CCn2ccnc2)Cc2ccccc2O1 ZINC000377547070 382289468 /nfs/dbraw/zinc/28/94/68/382289468.db2.gz ZCTUTATUNKCOKM-UHFFFAOYSA-N 2 1 271.364 2.556 50 0 CFAAMP C[C@H](c1ccc(C[N@@H+](C)CCn2ccnc2)cc1)[NH+](C)C ZINC000215353177 382778745 /nfs/dbraw/zinc/77/87/45/382778745.db2.gz SUOHSGAPMQOQAT-OAHLLOKOSA-N 2 1 286.423 2.638 50 0 CFAAMP Cn1cc[nH+]c1CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000215710827 382780460 /nfs/dbraw/zinc/78/04/60/382780460.db2.gz NWDHTWOUPGXXBK-UXBLZVDNSA-N 2 1 269.392 2.998 50 0 CFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000215710827 382780462 /nfs/dbraw/zinc/78/04/62/382780462.db2.gz NWDHTWOUPGXXBK-UXBLZVDNSA-N 2 1 269.392 2.998 50 0 CFAAMP Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(CC[NH3+])cc2)c1 ZINC000216362258 382783029 /nfs/dbraw/zinc/78/30/29/382783029.db2.gz IQMAEXIICVMZKG-UHFFFAOYSA-N 2 1 283.419 2.832 50 0 CFAAMP COCC[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000824384148 781990914 /nfs/dbraw/zinc/99/09/14/781990914.db2.gz PXWHLNSYBMQWAK-INIZCTEOSA-N 2 1 282.472 2.857 50 0 CFAAMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000037249277 173062232 /nfs/dbraw/zinc/06/22/32/173062232.db2.gz VLZAOIFFQXZWSV-LLVKDONJSA-N 2 1 266.360 2.579 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071837278 176273973 /nfs/dbraw/zinc/27/39/73/176273973.db2.gz JBJJOJRXCUJMCH-KRWDZBQOSA-N 2 1 298.434 2.720 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071837278 176273975 /nfs/dbraw/zinc/27/39/75/176273975.db2.gz JBJJOJRXCUJMCH-KRWDZBQOSA-N 2 1 298.434 2.720 50 0 CFAAMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000071939942 176303325 /nfs/dbraw/zinc/30/33/25/176303325.db2.gz WRHVLAHSOUXIHZ-CYBMUJFWSA-N 2 1 297.402 2.514 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C12CCCC2 ZINC000095423468 276353458 /nfs/dbraw/zinc/35/34/58/276353458.db2.gz UWXAJPDRJCFLFO-LVQVYYBASA-N 2 1 280.456 2.797 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C12CCCC2 ZINC000095423468 276353459 /nfs/dbraw/zinc/35/34/59/276353459.db2.gz UWXAJPDRJCFLFO-LVQVYYBASA-N 2 1 280.456 2.797 50 0 CFAAMP Cc1csc(CC[NH2+][C@H](C)CCn2cc[nH+]c2C)n1 ZINC000534582499 328312335 /nfs/dbraw/zinc/31/23/35/328312335.db2.gz ZYLIWHMVMIDDHF-LLVKDONJSA-N 2 1 278.425 2.567 50 0 CFAAMP CCc1nc(N2CCCC3(CC[NH2+]CC3)CC2)cc(C)[nH+]1 ZINC000534588218 328316615 /nfs/dbraw/zinc/31/66/15/328316615.db2.gz SRTCZKPQTIOWPG-UHFFFAOYSA-N 2 1 288.439 2.708 50 0 CFAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](CCCO)C1 ZINC000828748556 782105405 /nfs/dbraw/zinc/10/54/05/782105405.db2.gz KBXDVRGXCBFXJN-INIZCTEOSA-N 2 1 282.472 2.593 50 0 CFAAMP C[N@@H+](CCCc1cccnc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000252482845 619060844 /nfs/dbraw/zinc/06/08/44/619060844.db2.gz DOZVRYVISFQAGJ-INIZCTEOSA-N 2 1 275.440 2.676 50 0 CFAAMP C[NH+](CCCc1cccnc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000252482845 619060851 /nfs/dbraw/zinc/06/08/51/619060851.db2.gz DOZVRYVISFQAGJ-INIZCTEOSA-N 2 1 275.440 2.676 50 0 CFAAMP C[NH+](CCCc1cccnc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000252482845 619060854 /nfs/dbraw/zinc/06/08/54/619060854.db2.gz DOZVRYVISFQAGJ-INIZCTEOSA-N 2 1 275.440 2.676 50 0 CFAAMP CCCC[N@@H+](CCCCO)CCC1CC[NH+](C)CC1 ZINC000032547773 779035886 /nfs/dbraw/zinc/03/58/86/779035886.db2.gz HVPJUIYANFUDNK-UHFFFAOYSA-N 2 1 270.461 2.593 50 0 CFAAMP CCCc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(C)[nH+]1 ZINC000823009634 781916323 /nfs/dbraw/zinc/91/63/23/781916323.db2.gz HBIIRAFOFJGHCP-ZIAGYGMSSA-N 2 1 262.401 2.632 50 0 CFAAMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC000195560663 348146850 /nfs/dbraw/zinc/14/68/50/348146850.db2.gz TZXCUUSMWXWNFY-ILXRZTDVSA-N 2 1 268.445 2.512 50 0 CFAAMP CCOc1ccc(Cl)cc1CC[NH2+]C1CC[NH+](C)CC1 ZINC000090881645 180052570 /nfs/dbraw/zinc/05/25/70/180052570.db2.gz XLPBAXINTPAZPG-UHFFFAOYSA-N 2 1 296.842 2.965 50 0 CFAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424696 283041644 /nfs/dbraw/zinc/04/16/44/283041644.db2.gz IXNHRSPFKLGGAC-CMPLNLGQSA-N 2 1 258.287 2.657 50 0 CFAAMP CCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1 ZINC000013734206 372046212 /nfs/dbraw/zinc/04/62/12/372046212.db2.gz RSCVMFZSUJKAEE-UHFFFAOYSA-N 2 1 264.413 2.907 50 0 CFAAMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229099 372891456 /nfs/dbraw/zinc/89/14/56/372891456.db2.gz GSWMTSBZBQORJB-CQSZACIVSA-N 2 1 296.418 2.651 50 0 CFAAMP C(=C/c1ccccc1)\C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067955865 374017240 /nfs/dbraw/zinc/01/72/40/374017240.db2.gz DWOGWBSAGUEGPZ-QPJJXVBHSA-N 2 1 256.393 2.775 50 0 CFAAMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089549539 374921608 /nfs/dbraw/zinc/92/16/08/374921608.db2.gz DQHPUMSWRXQKSJ-IAGOWNOFSA-N 2 1 288.435 2.844 50 0 CFAAMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000089657419 374934742 /nfs/dbraw/zinc/93/47/42/374934742.db2.gz CBUNHMTYCXFTJE-INIZCTEOSA-N 2 1 274.408 2.893 50 0 CFAAMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089689312 374938555 /nfs/dbraw/zinc/93/85/55/374938555.db2.gz QGBWPOXQNBJZAK-CVEARBPZSA-N 2 1 272.436 3.000 50 0 CFAAMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)nc1 ZINC000335849710 379990629 /nfs/dbraw/zinc/99/06/29/379990629.db2.gz OUZCXDXBGQQGQH-ZBFHGGJFSA-N 2 1 270.380 2.670 50 0 CFAAMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869233 382799851 /nfs/dbraw/zinc/79/98/51/382799851.db2.gz RMTOIAKLZVQARC-BBRMVZONSA-N 2 1 284.407 2.554 50 0 CFAAMP Cc1cc([C@@H]2CCC[N@H+]2CCCn2ccnc2C)on1 ZINC000244884342 382993808 /nfs/dbraw/zinc/99/38/08/382993808.db2.gz YKNBEWZRBFAGNG-AWEZNQCLSA-N 2 1 274.368 2.715 50 0 CFAAMP Cc1cc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)on1 ZINC000244884342 382993815 /nfs/dbraw/zinc/99/38/15/382993815.db2.gz YKNBEWZRBFAGNG-AWEZNQCLSA-N 2 1 274.368 2.715 50 0 CFAAMP Fc1cccc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000426701344 383409914 /nfs/dbraw/zinc/40/99/14/383409914.db2.gz CKLNEHPMNPHJGM-UHFFFAOYSA-N 2 1 299.393 2.949 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000252499204 383414143 /nfs/dbraw/zinc/41/41/43/383414143.db2.gz RWYNFCWGZFGTDV-MRXNPFEDSA-N 2 1 270.380 2.814 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000252499204 383414147 /nfs/dbraw/zinc/41/41/47/383414147.db2.gz RWYNFCWGZFGTDV-MRXNPFEDSA-N 2 1 270.380 2.814 50 0 CFAAMP Clc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250186257 383372863 /nfs/dbraw/zinc/37/28/63/383372863.db2.gz STLKZQAMSGBZTP-QWRGUYRKSA-N 2 1 251.761 2.774 50 0 CFAAMP Clc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250186257 383372867 /nfs/dbraw/zinc/37/28/67/383372867.db2.gz STLKZQAMSGBZTP-QWRGUYRKSA-N 2 1 251.761 2.774 50 0 CFAAMP COc1ccc(C2CC[NH+](CC(C)(C)[NH3+])CC2)cc1 ZINC000261770223 383557197 /nfs/dbraw/zinc/55/71/97/383557197.db2.gz DPBSKAOIBQAEFF-UHFFFAOYSA-N 2 1 262.397 2.612 50 0 CFAAMP C[C@H]([NH2+][C@H]1CCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000252485894 397628500 /nfs/dbraw/zinc/62/85/00/397628500.db2.gz BWUXZJWQECJIGD-IHRRRGAJSA-N 2 1 268.470 2.735 50 0 CFAAMP C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004985452 170048984 /nfs/dbraw/zinc/04/89/84/170048984.db2.gz SXVXYEYERARMLE-UHFFFAOYSA-N 2 1 272.314 2.889 50 0 CFAAMP CC[NH+](CC)CCn1c2ccccc2n2cc[nH+]c21 ZINC000005625413 170121740 /nfs/dbraw/zinc/12/17/40/170121740.db2.gz DWAZPUJKHVFRGR-UHFFFAOYSA-N 2 1 256.353 2.631 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408274 173185271 /nfs/dbraw/zinc/18/52/71/173185271.db2.gz WIAWXSHDOYSPBN-AWEZNQCLSA-N 2 1 274.408 2.659 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408274 173185272 /nfs/dbraw/zinc/18/52/72/173185272.db2.gz WIAWXSHDOYSPBN-AWEZNQCLSA-N 2 1 274.408 2.659 50 0 CFAAMP Clc1ccc2c(c1)[nH+]ccc2N1CCC[NH2+]CC1 ZINC000003716216 274882700 /nfs/dbraw/zinc/88/27/00/274882700.db2.gz ACGOVCPNPCHPKW-UHFFFAOYSA-N 2 1 261.756 2.688 50 0 CFAAMP CCc1nccc(C[N@H+](C)Cc2ccccc2C[NH+](C)C)n1 ZINC000215026092 522575511 /nfs/dbraw/zinc/57/55/11/522575511.db2.gz TUCCFHQQQKTSQV-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP CCc1nccc(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)n1 ZINC000215026092 522575519 /nfs/dbraw/zinc/57/55/19/522575519.db2.gz TUCCFHQQQKTSQV-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP c1cnc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2c1 ZINC000262128806 526544745 /nfs/dbraw/zinc/54/47/45/526544745.db2.gz XZFQCILWCFUZCD-UHFFFAOYSA-N 2 1 281.403 2.810 50 0 CFAAMP C[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000098020455 545572135 /nfs/dbraw/zinc/57/21/35/545572135.db2.gz SFKPDBAQGVQXRS-HNNXBMFYSA-N 2 1 260.381 2.584 50 0 CFAAMP O[C@@H]1C[N@@H+](CC2CCCCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000011772276 626186285 /nfs/dbraw/zinc/18/62/85/626186285.db2.gz DDJMVGJILXXBHL-QZTJIDSGSA-N 2 1 294.483 2.878 50 0 CFAAMP Cc1[nH+]c2ccccc2c(NCC[N@H+]2CCCOCC2)c1C ZINC000188496740 650334126 /nfs/dbraw/zinc/33/41/26/650334126.db2.gz DMAVZRHYLJENCF-UHFFFAOYSA-N 2 1 299.418 2.986 50 0 CFAAMP C[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000863984643 637833358 /nfs/dbraw/zinc/83/33/58/637833358.db2.gz XNMONJPKXKNBTO-UHFFFAOYSA-N 2 1 276.449 2.994 50 0 CFAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000821259989 781881120 /nfs/dbraw/zinc/88/11/20/781881120.db2.gz CVRTVFIJIXBROK-HNNXBMFYSA-N 2 1 282.472 2.591 50 0 CFAAMP CC(C)CN1CCC([NH2+][C@H](C)CCCC[NH+](C)C)CC1 ZINC000096006898 185062679 /nfs/dbraw/zinc/06/26/79/185062679.db2.gz RDEQAKKPBHXRJB-MRXNPFEDSA-N 2 1 283.504 2.817 50 0 CFAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000002498595 346207017 /nfs/dbraw/zinc/20/70/17/346207017.db2.gz ZDYVYGLUBXDKJC-SJORKVTESA-N 2 1 258.409 2.618 50 0 CFAAMP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000110693587 347748914 /nfs/dbraw/zinc/74/89/14/347748914.db2.gz YBZJXKRRDPZJQF-QXSJWSMHSA-N 2 1 266.429 2.551 50 0 CFAAMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccccc2C)CC1 ZINC000584891259 348729234 /nfs/dbraw/zinc/72/92/34/348729234.db2.gz MQNNHLAKVMHWFS-UHFFFAOYSA-N 2 1 298.434 2.759 50 0 CFAAMP C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091626124 180210274 /nfs/dbraw/zinc/21/02/74/180210274.db2.gz COWOILUANTXDLX-INIZCTEOSA-N 2 1 258.409 2.818 50 0 CFAAMP C1CCC([N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818382 540719981 /nfs/dbraw/zinc/71/99/81/540719981.db2.gz XAORVQBBUPJEJG-HNNXBMFYSA-N 2 1 266.429 2.552 50 0 CFAAMP C1CCC([N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818382 540719982 /nfs/dbraw/zinc/71/99/82/540719982.db2.gz XAORVQBBUPJEJG-HNNXBMFYSA-N 2 1 266.429 2.552 50 0 CFAAMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000277390 371576843 /nfs/dbraw/zinc/57/68/43/371576843.db2.gz RSNBIESXEKYLMW-OBYDGYHJSA-N 2 1 262.441 2.885 50 0 CFAAMP Cc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000000798148 371648975 /nfs/dbraw/zinc/64/89/75/371648975.db2.gz GFLXJBSGLVHAOC-UHFFFAOYSA-N 2 1 250.386 2.987 50 0 CFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907736 372610049 /nfs/dbraw/zinc/61/00/49/372610049.db2.gz WFPZAPNLWPQIOM-WWGRRREGSA-N 2 1 264.388 2.687 50 0 CFAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000037644470 372681264 /nfs/dbraw/zinc/68/12/64/372681264.db2.gz HLWWWELPILXENL-ZDUSSCGKSA-N 2 1 288.391 2.873 50 0 CFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000037644470 372681269 /nfs/dbraw/zinc/68/12/69/372681269.db2.gz HLWWWELPILXENL-ZDUSSCGKSA-N 2 1 288.391 2.873 50 0 CFAAMP CC[C@H](C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000065382885 373861678 /nfs/dbraw/zinc/86/16/78/373861678.db2.gz HRQZRRWCVAUMRK-HNNXBMFYSA-N 2 1 260.425 2.939 50 0 CFAAMP Clc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094266985 375349339 /nfs/dbraw/zinc/34/93/39/375349339.db2.gz STLKZQAMSGBZTP-GHMZBOCLSA-N 2 1 251.761 2.774 50 0 CFAAMP Clc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094266985 375349341 /nfs/dbraw/zinc/34/93/41/375349341.db2.gz STLKZQAMSGBZTP-GHMZBOCLSA-N 2 1 251.761 2.774 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095496705 375461260 /nfs/dbraw/zinc/46/12/60/375461260.db2.gz HLDQBCQMZYJBRH-INIZCTEOSA-N 2 1 299.418 2.765 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095496705 375461268 /nfs/dbraw/zinc/46/12/68/375461268.db2.gz HLDQBCQMZYJBRH-INIZCTEOSA-N 2 1 299.418 2.765 50 0 CFAAMP CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000102521313 375678353 /nfs/dbraw/zinc/67/83/53/375678353.db2.gz SGSNAPCGBQJNJW-FOLVSLTJSA-N 2 1 294.464 2.667 50 0 CFAAMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000299872892 382051253 /nfs/dbraw/zinc/05/12/53/382051253.db2.gz ZDYVYGLUBXDKJC-DLBZAZTESA-N 2 1 258.409 2.618 50 0 CFAAMP COCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779812 /nfs/dbraw/zinc/77/98/12/382779812.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779813 /nfs/dbraw/zinc/77/98/13/382779813.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779815 /nfs/dbraw/zinc/77/98/15/382779815.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779816 /nfs/dbraw/zinc/77/98/16/382779816.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779920 /nfs/dbraw/zinc/77/99/20/382779920.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779922 /nfs/dbraw/zinc/77/99/22/382779922.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779924 /nfs/dbraw/zinc/77/99/24/382779924.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 2 1 294.414 2.534 50 0 CFAAMP COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779925 /nfs/dbraw/zinc/77/99/25/382779925.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 2 1 294.414 2.534 50 0 CFAAMP CC[C@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244831572 382993410 /nfs/dbraw/zinc/99/34/10/382993410.db2.gz UGJSHBVSLXRHGJ-IJEWVQPXSA-N 2 1 261.413 2.982 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C12CCC2 ZINC000247950018 383202268 /nfs/dbraw/zinc/20/22/68/383202268.db2.gz DXSRRUVTCJPAEB-FXUDXRNXSA-N 2 1 280.456 2.654 50 0 CFAAMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000251557512 383390252 /nfs/dbraw/zinc/39/02/52/383390252.db2.gz RRFBGSKHALYDPT-KGLIPLIRSA-N 2 1 262.397 2.688 50 0 CFAAMP CC(C)SCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000252482813 383411761 /nfs/dbraw/zinc/41/17/61/383411761.db2.gz DOIHISAWMGYONV-UHFFFAOYSA-N 2 1 281.469 2.816 50 0 CFAAMP C[C@@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013510381 393477596 /nfs/dbraw/zinc/47/75/96/393477596.db2.gz RYJLDVIZDHEQLN-UXLLHSPISA-N 2 1 260.425 2.924 50 0 CFAAMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000408514036 397564895 /nfs/dbraw/zinc/56/48/95/397564895.db2.gz GCCAIPKVTOMVMV-UHFFFAOYSA-N 2 1 269.392 2.775 50 0 CFAAMP COc1ccc([C@]2(CC[NH3+])C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004340228 286381112 /nfs/dbraw/zinc/38/11/12/286381112.db2.gz QCPLMTXDUPTFBC-JKIFEVAISA-N 2 1 276.424 2.642 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040719697 174385149 /nfs/dbraw/zinc/38/51/49/174385149.db2.gz MQZDIVNBEIJMFU-UHFFFAOYSA-N 2 1 270.804 2.826 50 0 CFAAMP c1cc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)nc2[nH]1 ZINC000534592130 328318692 /nfs/dbraw/zinc/31/86/92/328318692.db2.gz WAGMJABGRPODPB-UHFFFAOYSA-N 2 1 284.407 2.529 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000097016817 533961864 /nfs/dbraw/zinc/96/18/64/533961864.db2.gz GNTNSSWUMSNISO-KBAYOESNSA-N 2 1 288.435 2.808 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000097016817 533961871 /nfs/dbraw/zinc/96/18/71/533961871.db2.gz GNTNSSWUMSNISO-KBAYOESNSA-N 2 1 288.435 2.808 50 0 CFAAMP CCn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092037936 536118911 /nfs/dbraw/zinc/11/89/11/536118911.db2.gz FIZOSOXQORLJTR-CYBMUJFWSA-N 2 1 256.353 2.682 50 0 CFAAMP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484330 230381093 /nfs/dbraw/zinc/38/10/93/230381093.db2.gz YBZJXKRRDPZJQF-FPCVCCKLSA-N 2 1 266.429 2.551 50 0 CFAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000409421096 348600712 /nfs/dbraw/zinc/60/07/12/348600712.db2.gz HIYRTICAPBLHOZ-MRXNPFEDSA-N 2 1 282.391 2.911 50 0 CFAAMP Cc1nc2c([nH]1)CN(C/C=C/c1ccc(F)cc1)CC2 ZINC000584884929 348726453 /nfs/dbraw/zinc/72/64/53/348726453.db2.gz MVKBIISKVGVRAT-NSCUHMNNSA-N 2 1 271.339 2.929 50 0 CFAAMP CC(C)(C[NH2+][C@@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000584897470 348731189 /nfs/dbraw/zinc/73/11/89/348731189.db2.gz SQKJAEDBVFWFDY-MRXNPFEDSA-N 2 1 287.451 2.729 50 0 CFAAMP CC(C)[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595168 179826610 /nfs/dbraw/zinc/82/66/10/179826610.db2.gz YMYWUIVEHVXWEQ-HNNXBMFYSA-N 2 1 268.445 2.656 50 0 CFAAMP NC(=[NH2+])N1C(=[NH2+])Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000095630018 283262337 /nfs/dbraw/zinc/26/23/37/283262337.db2.gz SCPRECBHQADPBM-CYBMUJFWSA-N 2 1 299.765 2.985 50 0 CFAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3ccc4cccc(F)c4n3)C[C@H]21 ZINC000670460092 541002533 /nfs/dbraw/zinc/00/25/33/541002533.db2.gz VNFLJYFIAGJNTK-PHZGNYQRSA-N 2 1 299.393 2.613 50 0 CFAAMP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@H]1CCOC1 ZINC000670448033 540998338 /nfs/dbraw/zinc/99/83/38/540998338.db2.gz GLKANSVRLGTRQC-CQSZACIVSA-N 2 1 294.464 2.812 50 0 CFAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC000823769864 781937264 /nfs/dbraw/zinc/93/72/64/781937264.db2.gz JOHPZLZKEPIGJC-HNNXBMFYSA-N 2 1 280.456 2.609 50 0 CFAAMP CSCCC[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000012580229 371976826 /nfs/dbraw/zinc/97/68/26/371976826.db2.gz IHTGGNDJTVLQRI-INIZCTEOSA-N 2 1 282.497 2.937 50 0 CFAAMP CSCCC[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012580229 371976837 /nfs/dbraw/zinc/97/68/37/371976837.db2.gz IHTGGNDJTVLQRI-INIZCTEOSA-N 2 1 282.497 2.937 50 0 CFAAMP CSCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012580229 371976845 /nfs/dbraw/zinc/97/68/45/371976845.db2.gz IHTGGNDJTVLQRI-INIZCTEOSA-N 2 1 282.497 2.937 50 0 CFAAMP CCCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000020091787 372228524 /nfs/dbraw/zinc/22/85/24/372228524.db2.gz DIKXPCDVWSSNQB-UHFFFAOYSA-N 2 1 250.386 2.517 50 0 CFAAMP [NH3+]Cc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000021959001 372243277 /nfs/dbraw/zinc/24/32/77/372243277.db2.gz HFPUMWVZKZXLCU-UHFFFAOYSA-N 2 1 282.387 2.645 50 0 CFAAMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229096 372890615 /nfs/dbraw/zinc/89/06/15/372890615.db2.gz GSWMTSBZBQORJB-AWEZNQCLSA-N 2 1 296.418 2.651 50 0 CFAAMP CC(C)=CC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000042816724 372958370 /nfs/dbraw/zinc/95/83/70/372958370.db2.gz NLTBGXLZKSBGHW-MRXNPFEDSA-N 2 1 266.429 2.576 50 0 CFAAMP Cc1c[nH+]c(NCc2ccccc2C[NH+](C)C)nc1N(C)C ZINC000065529789 373884247 /nfs/dbraw/zinc/88/42/47/373884247.db2.gz AXNIACJFSFAJQP-UHFFFAOYSA-N 2 1 299.422 2.525 50 0 CFAAMP CC(C)[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089595166 374926188 /nfs/dbraw/zinc/92/61/88/374926188.db2.gz YMYWUIVEHVXWEQ-OAHLLOKOSA-N 2 1 268.445 2.656 50 0 CFAAMP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089689313 374938461 /nfs/dbraw/zinc/93/84/61/374938461.db2.gz QGBWPOXQNBJZAK-HOTGVXAUSA-N 2 1 272.436 3.000 50 0 CFAAMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000097164429 375534922 /nfs/dbraw/zinc/53/49/22/375534922.db2.gz BUONXKFIHKRNDS-ZDUSSCGKSA-N 2 1 275.371 2.713 50 0 CFAAMP Cc1nc[nH]c1C[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000215411333 382778555 /nfs/dbraw/zinc/77/85/55/382778555.db2.gz NIIYEISGRIAUML-HNNXBMFYSA-N 2 1 256.353 2.840 50 0 CFAAMP Cc1nc[nH]c1C[N@H+]1CCCC[C@H]1c1ccccn1 ZINC000215411333 382778556 /nfs/dbraw/zinc/77/85/56/382778556.db2.gz NIIYEISGRIAUML-HNNXBMFYSA-N 2 1 256.353 2.840 50 0 CFAAMP Cc1c(F)cccc1C[N@@H+](C)CCCC[NH+]1CCOCC1 ZINC000216296745 382782995 /nfs/dbraw/zinc/78/29/95/382782995.db2.gz HQIWLRDTGHXDDQ-UHFFFAOYSA-N 2 1 294.414 2.678 50 0 CFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107674 382800798 /nfs/dbraw/zinc/80/07/98/382800798.db2.gz UWGIMAMCYKMEOJ-XJKSGUPXSA-N 2 1 264.388 2.688 50 0 CFAAMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616055 382819505 /nfs/dbraw/zinc/81/95/05/382819505.db2.gz UVTCEELAJRNNTR-QLFBSQMISA-N 2 1 299.443 2.979 50 0 CFAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616055 382819506 /nfs/dbraw/zinc/81/95/06/382819506.db2.gz UVTCEELAJRNNTR-QLFBSQMISA-N 2 1 299.443 2.979 50 0 CFAAMP CC(C)C(C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000253416461 383456916 /nfs/dbraw/zinc/45/69/16/383456916.db2.gz DTPCWOPGJVFRNI-CQSZACIVSA-N 2 1 263.429 2.963 50 0 CFAAMP CC(C)C(C[NH2+]C[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000253416459 383457376 /nfs/dbraw/zinc/45/73/76/383457376.db2.gz DTPCWOPGJVFRNI-AWEZNQCLSA-N 2 1 263.429 2.963 50 0 CFAAMP CCn1cc[nH+]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092037939 135075314 /nfs/dbraw/zinc/07/53/14/135075314.db2.gz FIZOSOXQORLJTR-ZDUSSCGKSA-N 2 1 256.353 2.682 50 0 CFAAMP CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000108324462 397598062 /nfs/dbraw/zinc/59/80/62/397598062.db2.gz PCPAWUNGKCLTJV-BYNSBNAKSA-N 2 1 270.486 2.981 50 0 CFAAMP c1ccc(CC[N@H+]2CC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071422252 176160719 /nfs/dbraw/zinc/16/07/19/176160719.db2.gz PAUPVPHCSXHNKM-KRWDZBQOSA-N 2 1 258.409 2.551 50 0 CFAAMP Cc1cc(N2CCC[N@@H+](Cc3cccc(O)c3)CC2)cc[nH+]1 ZINC000072126444 176320568 /nfs/dbraw/zinc/32/05/68/176320568.db2.gz ILEOJDFREBEONH-UHFFFAOYSA-N 2 1 297.402 2.808 50 0 CFAAMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942263 278354807 /nfs/dbraw/zinc/35/48/07/278354807.db2.gz GNLNYDMSBAMWIL-HUUCEWRRSA-N 2 1 287.451 2.888 50 0 CFAAMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000058154027 519847017 /nfs/dbraw/zinc/84/70/17/519847017.db2.gz SNCQDLMOJTYJIO-UHFFFAOYSA-N 2 1 292.423 2.668 50 0 CFAAMP Cc1ncsc1C[NH2+][C@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888099149 619132971 /nfs/dbraw/zinc/13/29/71/619132971.db2.gz WOOOKXWIHIFNHG-NEPJUHHUSA-N 2 1 276.409 2.611 50 0 CFAAMP Cc1[nH+]cn(CC[NH2+]Cc2cccc(OC(F)F)c2)c1C ZINC000952984518 650791806 /nfs/dbraw/zinc/79/18/06/650791806.db2.gz XJRNILPNOAEXBU-UHFFFAOYSA-N 2 1 295.333 2.891 50 0 CFAAMP Cc1[nH+]ccn1CCC1CC[NH+](CCc2ccccn2)CC1 ZINC000019720517 651292978 /nfs/dbraw/zinc/29/29/78/651292978.db2.gz VTQOTXSJPVASEP-UHFFFAOYSA-N 2 1 298.434 2.931 50 0 CFAAMP C[NH+]1CCC(OCCCNc2[nH+]ccc3ccccc32)CC1 ZINC000584885221 348726576 /nfs/dbraw/zinc/72/65/76/348726576.db2.gz KZISKMWBEHXDBE-UHFFFAOYSA-N 2 1 299.418 2.570 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939688 540020484 /nfs/dbraw/zinc/02/04/84/540020484.db2.gz WFXWISMKVMFDQC-HZSPNIEDSA-N 2 1 268.445 2.795 50 0 CFAAMP C[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000000757757 371649014 /nfs/dbraw/zinc/64/90/14/371649014.db2.gz RNFPTXMWZVOWLP-UHFFFAOYSA-N 2 1 283.213 2.633 50 0 CFAAMP CCCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OCC ZINC000002647836 371745140 /nfs/dbraw/zinc/74/51/40/371745140.db2.gz KLXOXLOTLXAAQZ-UHFFFAOYSA-N 2 1 294.439 2.915 50 0 CFAAMP CCOCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000004022706 371829204 /nfs/dbraw/zinc/82/92/04/371829204.db2.gz HTBZHXMIXVIXPP-UHFFFAOYSA-N 2 1 290.451 2.710 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)CCC2CCOCC2)CC1 ZINC000019336382 372156539 /nfs/dbraw/zinc/15/65/39/372156539.db2.gz RNGDLNFMOFJHTA-UHFFFAOYSA-N 2 1 268.445 2.609 50 0 CFAAMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OC(C)C ZINC000020091789 372228593 /nfs/dbraw/zinc/22/85/93/372228593.db2.gz LKIBYQKTYHAIFB-UHFFFAOYSA-N 2 1 280.412 2.524 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976518 373532359 /nfs/dbraw/zinc/53/23/59/373532359.db2.gz GDGJJJMFINQFHI-DVOMOZLQSA-N 2 1 262.397 2.514 50 0 CFAAMP Cn1cncc1C[N@H+]1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834073 374006630 /nfs/dbraw/zinc/00/66/30/374006630.db2.gz LYNROLIJXYJAQG-GOSISDBHSA-N 2 1 298.434 2.819 50 0 CFAAMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC000097146607 375531919 /nfs/dbraw/zinc/53/19/19/375531919.db2.gz VPWWILHCIIOHIF-QLFBSQMISA-N 2 1 268.445 2.512 50 0 CFAAMP CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(OCC)c1C ZINC000097173316 375536307 /nfs/dbraw/zinc/53/63/07/375536307.db2.gz KQUVATHEJXTBAS-AWEZNQCLSA-N 2 1 292.423 2.573 50 0 CFAAMP CCOc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(OCC)c1C ZINC000097173316 375536315 /nfs/dbraw/zinc/53/63/15/375536315.db2.gz KQUVATHEJXTBAS-AWEZNQCLSA-N 2 1 292.423 2.573 50 0 CFAAMP CCc1ncc(C[N@H+](C)Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000097360191 375552150 /nfs/dbraw/zinc/55/21/50/375552150.db2.gz XRVUMYXQVFIFRT-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP CCc1ncc(C[N@@H+](C)Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000097360191 375552156 /nfs/dbraw/zinc/55/21/56/375552156.db2.gz XRVUMYXQVFIFRT-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347102623 380939402 /nfs/dbraw/zinc/93/94/02/380939402.db2.gz MQMBROOVKUVJHF-LBPRGKRZSA-N 2 1 258.365 2.776 50 0 CFAAMP CN(Cc1ccc(Cl)c(F)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000216479557 382783740 /nfs/dbraw/zinc/78/37/40/382783740.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 1 270.779 2.863 50 0 CFAAMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000216479557 382783741 /nfs/dbraw/zinc/78/37/41/382783741.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 1 270.779 2.863 50 0 CFAAMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000216479557 382783742 /nfs/dbraw/zinc/78/37/42/382783742.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 1 270.779 2.863 50 0 CFAAMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000216479557 382783743 /nfs/dbraw/zinc/78/37/43/382783743.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 1 270.779 2.863 50 0 CFAAMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000216479557 382783744 /nfs/dbraw/zinc/78/37/44/382783744.db2.gz ZNWMEBREPBJVJE-LBPRGKRZSA-N 2 1 270.779 2.863 50 0 CFAAMP Cc1[nH+]ccn1C[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000225596688 382819058 /nfs/dbraw/zinc/81/90/58/382819058.db2.gz FINUWYXOKNQRQD-OAHLLOKOSA-N 2 1 256.353 2.564 50 0 CFAAMP CCS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000241588374 382983391 /nfs/dbraw/zinc/98/33/91/382983391.db2.gz PCPAWUNGKCLTJV-XQLPTFJDSA-N 2 1 270.486 2.981 50 0 CFAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCO)C1 ZINC000241515517 382983731 /nfs/dbraw/zinc/98/37/31/382983731.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000241515517 382983733 /nfs/dbraw/zinc/98/37/33/382983733.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCO)C1 ZINC000241515517 382983737 /nfs/dbraw/zinc/98/37/37/382983737.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245344205 382997858 /nfs/dbraw/zinc/99/78/58/382997858.db2.gz YBZJXKRRDPZJQF-WCVJEAGWSA-N 2 1 266.429 2.551 50 0 CFAAMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552536 383419906 /nfs/dbraw/zinc/41/99/06/383419906.db2.gz UVTCEELAJRNNTR-RBSFLKMASA-N 2 1 299.443 2.979 50 0 CFAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552536 383419910 /nfs/dbraw/zinc/41/99/10/383419910.db2.gz UVTCEELAJRNNTR-RBSFLKMASA-N 2 1 299.443 2.979 50 0 CFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000825284210 782008863 /nfs/dbraw/zinc/00/88/63/782008863.db2.gz XLUNRAHMPICHPG-KRWDZBQOSA-N 2 1 299.418 2.983 50 0 CFAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000825284210 782008870 /nfs/dbraw/zinc/00/88/70/782008870.db2.gz XLUNRAHMPICHPG-KRWDZBQOSA-N 2 1 299.418 2.983 50 0 CFAAMP COc1cc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000004838187 170026948 /nfs/dbraw/zinc/02/69/48/170026948.db2.gz QMJLBLRTFUFKJP-UHFFFAOYSA-N 2 1 276.424 2.838 50 0 CFAAMP COc1cc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000004838187 170026950 /nfs/dbraw/zinc/02/69/50/170026950.db2.gz QMJLBLRTFUFKJP-UHFFFAOYSA-N 2 1 276.424 2.838 50 0 CFAAMP COc1ccccc1[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000067841442 175796100 /nfs/dbraw/zinc/79/61/00/175796100.db2.gz YOLXLZWGETWTKJ-ZDUSSCGKSA-N 2 1 262.397 2.688 50 0 CFAAMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000071820824 176270454 /nfs/dbraw/zinc/27/04/54/176270454.db2.gz FTQLWOLODNIXHL-HNNXBMFYSA-N 2 1 298.434 2.897 50 0 CFAAMP c1ccc2cc(N3CC[NH+](C[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000077357749 177256817 /nfs/dbraw/zinc/25/68/17/177256817.db2.gz IQKZQPFNRGVYFP-MRXNPFEDSA-N 2 1 295.430 2.571 50 0 CFAAMP Cc1cc(C(F)(F)F)cc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000067880952 280376225 /nfs/dbraw/zinc/37/62/25/280376225.db2.gz VDYUVMZWGXZARS-CQSZACIVSA-N 2 1 299.340 2.989 50 0 CFAAMP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575519 290127400 /nfs/dbraw/zinc/12/74/00/290127400.db2.gz IXNHRSPFKLGGAC-JQWIXIFHSA-N 2 1 258.287 2.657 50 0 CFAAMP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502720 533857648 /nfs/dbraw/zinc/85/76/48/533857648.db2.gz JZUXBIADDVIZDY-DLBZAZTESA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502720 533857656 /nfs/dbraw/zinc/85/76/56/533857656.db2.gz JZUXBIADDVIZDY-DLBZAZTESA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502720 533857664 /nfs/dbraw/zinc/85/76/64/533857664.db2.gz JZUXBIADDVIZDY-DLBZAZTESA-N 2 1 293.499 2.715 50 0 CFAAMP CCC[NH+]1CCC(N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000020234809 651297338 /nfs/dbraw/zinc/29/73/38/651297338.db2.gz NXYXJFADYVQCAU-UHFFFAOYSA-N 2 1 293.499 2.811 50 0 CFAAMP Cc1cccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000095967720 185047141 /nfs/dbraw/zinc/04/71/41/185047141.db2.gz WPRLLMAFGUTIEJ-KRWDZBQOSA-N 2 1 289.467 2.673 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289029503 282208315 /nfs/dbraw/zinc/20/83/15/282208315.db2.gz OPPMPKZZFXTUES-UHFFFAOYSA-N 2 1 285.391 2.865 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289029503 282208320 /nfs/dbraw/zinc/20/83/20/282208320.db2.gz OPPMPKZZFXTUES-UHFFFAOYSA-N 2 1 285.391 2.865 50 0 CFAAMP COc1ccccc1/C=C\C[NH2+]CC[C@H](C)[NH+](C)C ZINC000606444627 351271258 /nfs/dbraw/zinc/27/12/58/351271258.db2.gz LKHGZHWJNCVCFP-LEJCZOIISA-N 2 1 262.397 2.638 50 0 CFAAMP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)C[C@@H]1CCOC1 ZINC000670448032 540998354 /nfs/dbraw/zinc/99/83/54/540998354.db2.gz GLKANSVRLGTRQC-AWEZNQCLSA-N 2 1 294.464 2.812 50 0 CFAAMP C[C@H]([NH2+][C@@H]1CCSC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096004791 299393830 /nfs/dbraw/zinc/39/38/30/299393830.db2.gz BWUXZJWQECJIGD-MELADBBJSA-N 2 1 268.470 2.735 50 0 CFAAMP CC[NH+](CC)CCn1c2ccccc2n2cc(C)[nH+]c21 ZINC000000241481 371566240 /nfs/dbraw/zinc/56/62/40/371566240.db2.gz YSZOZVONWPEGBG-UHFFFAOYSA-N 2 1 270.380 2.939 50 0 CFAAMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OCC ZINC000002647842 371744969 /nfs/dbraw/zinc/74/49/69/371744969.db2.gz UBWAWQMRNDULPY-UHFFFAOYSA-N 2 1 280.412 2.525 50 0 CFAAMP CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000010435610 371908560 /nfs/dbraw/zinc/90/85/60/371908560.db2.gz JVWVKXSNEZYITR-UHFFFAOYSA-N 2 1 270.804 2.780 50 0 CFAAMP [NH3+]CCC[N@@H+](CCc1ccccc1)Cc1ccco1 ZINC000032919848 372476382 /nfs/dbraw/zinc/47/63/82/372476382.db2.gz BDRHULMQNZEOFS-UHFFFAOYSA-N 2 1 258.365 2.673 50 0 CFAAMP Cc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000037797103 372711007 /nfs/dbraw/zinc/71/10/07/372711007.db2.gz CUUOTPHTMICVEQ-UHFFFAOYSA-N 2 1 267.442 2.850 50 0 CFAAMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067842622 374007392 /nfs/dbraw/zinc/00/73/92/374007392.db2.gz JARLZMZHYLFSEB-MRXNPFEDSA-N 3 1 293.499 2.620 50 0 CFAAMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871958 374013411 /nfs/dbraw/zinc/01/34/11/374013411.db2.gz BVCVZZVERLAASP-NSHDSACASA-N 2 1 298.814 2.615 50 0 CFAAMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000067920193 374015402 /nfs/dbraw/zinc/01/54/02/374015402.db2.gz HQLQWMJMNWSXQH-OAHLLOKOSA-N 2 1 290.455 2.710 50 0 CFAAMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000071837281 374227328 /nfs/dbraw/zinc/22/73/28/374227328.db2.gz ZVJRQTRVZLVVTM-CYBMUJFWSA-N 2 1 278.444 2.527 50 0 CFAAMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000071837281 374227337 /nfs/dbraw/zinc/22/73/37/374227337.db2.gz ZVJRQTRVZLVVTM-CYBMUJFWSA-N 2 1 278.444 2.527 50 0 CFAAMP Cn1ncc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469528 374255660 /nfs/dbraw/zinc/25/56/60/374255660.db2.gz IEMQUNOPRICKRA-INIZCTEOSA-N 2 1 290.455 2.604 50 0 CFAAMP Cn1ncc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469528 374255666 /nfs/dbraw/zinc/25/56/66/374255666.db2.gz IEMQUNOPRICKRA-INIZCTEOSA-N 2 1 290.455 2.604 50 0 CFAAMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1Br ZINC000073852486 374393034 /nfs/dbraw/zinc/39/30/34/374393034.db2.gz DSTJNKCTGJOYDP-UHFFFAOYSA-N 2 1 297.240 2.941 50 0 CFAAMP C[N@@H+]1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000077010764 374560092 /nfs/dbraw/zinc/56/00/92/374560092.db2.gz POMBAUUTDFDJDN-IXDOHACOSA-N 2 1 258.409 2.834 50 0 CFAAMP C[N@H+]1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000077010764 374560099 /nfs/dbraw/zinc/56/00/99/374560099.db2.gz POMBAUUTDFDJDN-IXDOHACOSA-N 2 1 258.409 2.834 50 0 CFAAMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000097200933 375539080 /nfs/dbraw/zinc/53/90/80/375539080.db2.gz HKIUJIPKTPMTSV-INIZCTEOSA-N 2 1 282.391 2.719 50 0 CFAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000097200933 375539091 /nfs/dbraw/zinc/53/90/91/375539091.db2.gz HKIUJIPKTPMTSV-INIZCTEOSA-N 2 1 282.391 2.719 50 0 CFAAMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)s1 ZINC000097515120 375568965 /nfs/dbraw/zinc/56/89/65/375568965.db2.gz BCJLCDFQNSSIPH-LBPRGKRZSA-N 2 1 252.427 2.727 50 0 CFAAMP Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](C[NH3+])C3)cn2)cc1C ZINC000097773077 375583619 /nfs/dbraw/zinc/58/36/19/375583619.db2.gz DFPGBPYMAYUQJM-MRXNPFEDSA-N 2 1 298.434 2.660 50 0 CFAAMP Cc1ccc(-n2cc(C[N@H+]3CCC[C@H](C[NH3+])C3)cn2)cc1C ZINC000097773077 375583626 /nfs/dbraw/zinc/58/36/26/375583626.db2.gz DFPGBPYMAYUQJM-MRXNPFEDSA-N 2 1 298.434 2.660 50 0 CFAAMP C[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000390835076 382619575 /nfs/dbraw/zinc/61/95/75/382619575.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000390835076 382619578 /nfs/dbraw/zinc/61/95/78/382619578.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CCS1 ZINC000390835076 382619580 /nfs/dbraw/zinc/61/95/80/382619580.db2.gz CCDQOCXZUHTZMX-UONOGXRCSA-N 2 1 256.459 2.688 50 0 CFAAMP Cc1nc(CC[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cs1 ZINC000244646878 382989828 /nfs/dbraw/zinc/98/98/28/382989828.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cs1 ZINC000244646878 382989830 /nfs/dbraw/zinc/98/98/30/382989830.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cs1 ZINC000244646878 382989832 /nfs/dbraw/zinc/98/98/32/382989832.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cs1 ZINC000244646878 382989835 /nfs/dbraw/zinc/98/98/35/382989835.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 2 1 281.469 2.656 50 0 CFAAMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccco2)CC1 ZINC000252503964 383415331 /nfs/dbraw/zinc/41/53/31/383415331.db2.gz VHNNLUGNNNTFQU-AWEZNQCLSA-N 2 1 250.386 2.628 50 0 CFAAMP COCC[C@H]1CCC[N@@H+](CC(C)(C)C[NH+]2CCCC2)C1 ZINC000824384149 781991288 /nfs/dbraw/zinc/99/12/88/781991288.db2.gz PXWHLNSYBMQWAK-MRXNPFEDSA-N 2 1 282.472 2.857 50 0 CFAAMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533348 175197342 /nfs/dbraw/zinc/19/73/42/175197342.db2.gz VFETUJSFKPCWAY-GJZGRUSLSA-N 2 1 276.424 2.558 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044535887 175198815 /nfs/dbraw/zinc/19/88/15/175198815.db2.gz QTZNUQMUTCJDFA-AWEZNQCLSA-N 2 1 262.397 2.517 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044535887 175198816 /nfs/dbraw/zinc/19/88/16/175198816.db2.gz QTZNUQMUTCJDFA-AWEZNQCLSA-N 2 1 262.397 2.517 50 0 CFAAMP c1ccc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067742427 175788549 /nfs/dbraw/zinc/78/85/49/175788549.db2.gz LHPRONYAFGUAMR-UHFFFAOYSA-N 2 1 258.409 2.695 50 0 CFAAMP COCCC[C@@H]1CCC[N@@H+](Cc2cccc(CC[NH3+])c2)C1 ZINC000077518616 177277671 /nfs/dbraw/zinc/27/76/71/177277671.db2.gz BNURZHCLEHTNSN-KRWDZBQOSA-N 2 1 290.451 2.826 50 0 CFAAMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000241515756 276198558 /nfs/dbraw/zinc/19/85/58/276198558.db2.gz OHTMGXMSENDZNW-QZTJIDSGSA-N 2 1 294.483 2.999 50 0 CFAAMP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984109 282029207 /nfs/dbraw/zinc/02/92/07/282029207.db2.gz JMPLMMVYBMQNGC-ZFWWWQNUSA-N 2 1 279.453 2.760 50 0 CFAAMP Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984109 282029212 /nfs/dbraw/zinc/02/92/12/282029212.db2.gz JMPLMMVYBMQNGC-ZFWWWQNUSA-N 2 1 279.453 2.760 50 0 CFAAMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000243893648 523196727 /nfs/dbraw/zinc/19/67/27/523196727.db2.gz ATAKZSJOUFPZLL-WOVMCDHWSA-N 2 1 298.434 2.822 50 0 CFAAMP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000002811169 539436917 /nfs/dbraw/zinc/43/69/17/539436917.db2.gz JVMMMNPBTDPIQB-UHFFFAOYSA-N 2 1 262.397 2.530 50 0 CFAAMP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000002811169 539436920 /nfs/dbraw/zinc/43/69/20/539436920.db2.gz JVMMMNPBTDPIQB-UHFFFAOYSA-N 2 1 262.397 2.530 50 0 CFAAMP C[NH+]1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000020128065 346243040 /nfs/dbraw/zinc/24/30/40/346243040.db2.gz CMDNGYYHVYPMFU-UHFFFAOYSA-N 2 1 275.421 2.523 50 0 CFAAMP C[C@@H](CCCO)[NH2+][C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000195553555 348145942 /nfs/dbraw/zinc/14/59/42/348145942.db2.gz KJHPXEWVWLUHRC-GJZGRUSLSA-N 2 1 268.445 2.534 50 0 CFAAMP C[C@@H](CCCO)[NH2+][C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000195553555 348145947 /nfs/dbraw/zinc/14/59/47/348145947.db2.gz KJHPXEWVWLUHRC-GJZGRUSLSA-N 2 1 268.445 2.534 50 0 CFAAMP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068575517 283113831 /nfs/dbraw/zinc/11/38/31/283113831.db2.gz IXNHRSPFKLGGAC-PWSUYJOCSA-N 2 1 258.287 2.657 50 0 CFAAMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494887 540234291 /nfs/dbraw/zinc/23/42/91/540234291.db2.gz OHLMIHIBZZTAPU-INIZCTEOSA-N 2 1 276.449 2.557 50 0 CFAAMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494887 540234294 /nfs/dbraw/zinc/23/42/94/540234294.db2.gz OHLMIHIBZZTAPU-INIZCTEOSA-N 2 1 276.449 2.557 50 0 CFAAMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000090909636 540382260 /nfs/dbraw/zinc/38/22/60/540382260.db2.gz OESZTWPTYAXEAF-AWEZNQCLSA-N 2 1 276.424 2.558 50 0 CFAAMP CCCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000004105186 371832981 /nfs/dbraw/zinc/83/29/81/371832981.db2.gz RWHFAMLHBCFRGK-SFHVURJKSA-N 2 1 290.451 2.792 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019251 371828965 /nfs/dbraw/zinc/82/89/65/371828965.db2.gz DAGGEUHIWOTDNG-VNHYZAJKSA-N 2 1 292.423 2.522 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019251 371828972 /nfs/dbraw/zinc/82/89/72/371828972.db2.gz DAGGEUHIWOTDNG-VNHYZAJKSA-N 2 1 292.423 2.522 50 0 CFAAMP C[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cccs2)C1 ZINC000032919222 372476516 /nfs/dbraw/zinc/47/65/16/372476516.db2.gz BGTXITFOQAWWOI-CYBMUJFWSA-N 2 1 252.427 2.960 50 0 CFAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037643727 372678087 /nfs/dbraw/zinc/67/80/87/372678087.db2.gz NOUVZWDQMCBKRU-GFCCVEGCSA-N 2 1 252.789 2.771 50 0 CFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037643727 372678093 /nfs/dbraw/zinc/67/80/93/372678093.db2.gz NOUVZWDQMCBKRU-GFCCVEGCSA-N 2 1 252.789 2.771 50 0 CFAAMP CCOc1ccc(C[N@H+](C)C[C@]2(C)CC[NH+](C)C2)cc1 ZINC000065456073 373872225 /nfs/dbraw/zinc/87/22/25/373872225.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH+](C)C2)cc1 ZINC000065456073 373872234 /nfs/dbraw/zinc/87/22/34/373872234.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[NH+](C)C[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000065456073 373872241 /nfs/dbraw/zinc/87/22/41/373872241.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[NH+](C)C[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000065456073 373872245 /nfs/dbraw/zinc/87/22/45/373872245.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 2 1 276.424 2.859 50 0 CFAAMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875192 373960825 /nfs/dbraw/zinc/96/08/25/373960825.db2.gz VFOXXPVJXONHQT-HNNXBMFYSA-N 2 1 288.435 2.940 50 0 CFAAMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875192 373960830 /nfs/dbraw/zinc/96/08/30/373960830.db2.gz VFOXXPVJXONHQT-HNNXBMFYSA-N 2 1 288.435 2.940 50 0 CFAAMP Cn1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2ccccc21 ZINC000067773526 374002087 /nfs/dbraw/zinc/00/20/87/374002087.db2.gz MHOCMDQDVSHETC-UHFFFAOYSA-N 2 1 283.419 2.754 50 0 CFAAMP c1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067561108 373983004 /nfs/dbraw/zinc/98/30/04/373983004.db2.gz QUTSZDLTAVQJJD-QGZVFWFLSA-N 2 1 269.392 2.743 50 0 CFAAMP C[N@@H+](CCc1cccs1)CC1CC[NH+](C)CC1 ZINC000089375204 374898546 /nfs/dbraw/zinc/89/85/46/374898546.db2.gz CEYPLSHVWBGZLG-UHFFFAOYSA-N 2 1 252.427 2.564 50 0 CFAAMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000089549540 374923288 /nfs/dbraw/zinc/92/32/88/374923288.db2.gz DQHPUMSWRXQKSJ-DLBZAZTESA-N 2 1 288.435 2.844 50 0 CFAAMP Clc1c[nH+]ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094266986 375348757 /nfs/dbraw/zinc/34/87/57/375348757.db2.gz STLKZQAMSGBZTP-WDEREUQCSA-N 2 1 251.761 2.774 50 0 CFAAMP Clc1c[nH+]ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000094266986 375348769 /nfs/dbraw/zinc/34/87/69/375348769.db2.gz STLKZQAMSGBZTP-WDEREUQCSA-N 2 1 251.761 2.774 50 0 CFAAMP [NH3+][C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000097413261 375557813 /nfs/dbraw/zinc/55/78/13/375557813.db2.gz JQSDZQHYSMYDAJ-INIZCTEOSA-N 2 1 288.439 2.838 50 0 CFAAMP [NH3+][C@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000097413261 375557819 /nfs/dbraw/zinc/55/78/19/375557819.db2.gz JQSDZQHYSMYDAJ-INIZCTEOSA-N 2 1 288.439 2.838 50 0 CFAAMP c1csc(C2C[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)n1 ZINC000299773496 382046974 /nfs/dbraw/zinc/04/69/74/382046974.db2.gz DDNZQCMDHDIJLH-DZGCQCFKSA-N 2 1 291.464 2.807 50 0 CFAAMP c1csc(C2C[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)n1 ZINC000299773496 382046983 /nfs/dbraw/zinc/04/69/83/382046983.db2.gz DDNZQCMDHDIJLH-DZGCQCFKSA-N 2 1 291.464 2.807 50 0 CFAAMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000299872893 382051185 /nfs/dbraw/zinc/05/11/85/382051185.db2.gz ZDYVYGLUBXDKJC-IRXDYDNUSA-N 2 1 258.409 2.618 50 0 CFAAMP Cc1ccc(N2CCC([NH2+]C[C@H]3CCC=CO3)CC2)[nH+]c1 ZINC000191101093 382691445 /nfs/dbraw/zinc/69/14/45/382691445.db2.gz FDXINKMJZYAOGO-MRXNPFEDSA-N 2 1 287.407 2.641 50 0 CFAAMP CCn1cc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cn1 ZINC000575547950 382773821 /nfs/dbraw/zinc/77/38/21/382773821.db2.gz AZHZNBCJNWIXQO-MRXNPFEDSA-N 2 1 299.422 2.732 50 0 CFAAMP CCS[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000241588372 382983284 /nfs/dbraw/zinc/98/32/84/382983284.db2.gz PCPAWUNGKCLTJV-BARDWOONSA-N 2 1 270.486 2.981 50 0 CFAAMP COCCN(CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000244795206 382993027 /nfs/dbraw/zinc/99/30/27/382993027.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 2 1 282.453 2.681 50 0 CFAAMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245550426 383005541 /nfs/dbraw/zinc/00/55/41/383005541.db2.gz HRFBMPZCSBIENV-CAOSSQGBSA-N 2 1 280.456 2.654 50 0 CFAAMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245550426 383005544 /nfs/dbraw/zinc/00/55/44/383005544.db2.gz HRFBMPZCSBIENV-CAOSSQGBSA-N 2 1 280.456 2.654 50 0 CFAAMP Clc1c[nH+]ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250186249 383372851 /nfs/dbraw/zinc/37/28/51/383372851.db2.gz STLKZQAMSGBZTP-MNOVXSKESA-N 2 1 251.761 2.774 50 0 CFAAMP Clc1c[nH+]ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250186249 383372853 /nfs/dbraw/zinc/37/28/53/383372853.db2.gz STLKZQAMSGBZTP-MNOVXSKESA-N 2 1 251.761 2.774 50 0 CFAAMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000193456892 393652150 /nfs/dbraw/zinc/65/21/50/393652150.db2.gz TYNVMHOABSGPAT-UHFFFAOYSA-N 2 1 264.413 2.859 50 0 CFAAMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000193456892 393652152 /nfs/dbraw/zinc/65/21/52/393652152.db2.gz TYNVMHOABSGPAT-UHFFFAOYSA-N 2 1 264.413 2.859 50 0 CFAAMP CCCC[N@@H+](CCCCO)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000020864280 171276778 /nfs/dbraw/zinc/27/67/78/171276778.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 2 1 284.488 2.981 50 0 CFAAMP CCCC[NH+](CCCCO)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000020864280 171276779 /nfs/dbraw/zinc/27/67/79/171276779.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 2 1 284.488 2.981 50 0 CFAAMP CCCC[NH+](CCCCO)C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000020864280 171276781 /nfs/dbraw/zinc/27/67/81/171276781.db2.gz QHAUDDBHXNALJV-QGZVFWFLSA-N 2 1 284.488 2.981 50 0 CFAAMP Cc1cc(OCCCC[NH2+]CC[NH3+])ccc1C(C)C ZINC000039960869 174179896 /nfs/dbraw/zinc/17/98/96/174179896.db2.gz JZDKCWYXQCVZDM-UHFFFAOYSA-N 2 1 264.413 2.826 50 0 CFAAMP COc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533352 175197878 /nfs/dbraw/zinc/19/78/78/175197878.db2.gz VFETUJSFKPCWAY-LSDHHAIUSA-N 2 1 276.424 2.558 50 0 CFAAMP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071939941 176303177 /nfs/dbraw/zinc/30/31/77/176303177.db2.gz WRHVLAHSOUXIHZ-ZDUSSCGKSA-N 2 1 297.402 2.514 50 0 CFAAMP Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C)[nH+]1 ZINC000024754462 260127780 /nfs/dbraw/zinc/12/77/80/260127780.db2.gz HIYFAUVECWDSLA-UHFFFAOYSA-N 2 1 262.401 2.815 50 0 CFAAMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000089917914 281356375 /nfs/dbraw/zinc/35/63/75/281356375.db2.gz JQYWDEXWQBIDCC-AWEZNQCLSA-N 2 1 266.429 2.549 50 0 CFAAMP Cc1cccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c12 ZINC000188490413 650333912 /nfs/dbraw/zinc/33/39/12/650333912.db2.gz BUYUPYTZGSKBPH-UHFFFAOYSA-N 2 1 285.391 2.677 50 0 CFAAMP COc1ncccc1C[NH2+]CCCn1cc[nH+]c1C(C)C ZINC000952990910 650791598 /nfs/dbraw/zinc/79/15/98/650791598.db2.gz JVDKBXUZGSMIOE-UHFFFAOYSA-N 2 1 288.395 2.590 50 0 CFAAMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000002933141 371764509 /nfs/dbraw/zinc/76/45/09/371764509.db2.gz JNBVSCGCKPXESU-UHFFFAOYSA-N 2 1 280.412 2.525 50 0 CFAAMP C[NH+](C)CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000019958132 372213714 /nfs/dbraw/zinc/21/37/14/372213714.db2.gz AHDQRJYIMJSZSF-UHFFFAOYSA-N 2 1 260.303 2.747 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032541230 372443364 /nfs/dbraw/zinc/44/33/64/372443364.db2.gz INOMOGODLUVEJE-MRXNPFEDSA-N 2 1 268.445 2.752 50 0 CFAAMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000037644250 372681042 /nfs/dbraw/zinc/68/10/42/372681042.db2.gz WTNLQOYWLBWMMW-HNNXBMFYSA-N 2 1 292.423 2.525 50 0 CFAAMP CSCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055211292 373544140 /nfs/dbraw/zinc/54/41/40/373544140.db2.gz LHCNHIFWZMYIBE-UONOGXRCSA-N 2 1 256.459 2.594 50 0 CFAAMP CCC[N@H+]1CCC[C@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000065375887 373861611 /nfs/dbraw/zinc/86/16/11/373861611.db2.gz DBWPCPONXHDKQH-OAHLLOKOSA-N 2 1 272.436 2.865 50 0 CFAAMP C[NH+]1CCC2(CC[N@@H+](CCOCc3ccccc3)C2)CC1 ZINC000065405860 373865903 /nfs/dbraw/zinc/86/59/03/373865903.db2.gz KBLCTUYEMOPZEN-UHFFFAOYSA-N 2 1 288.435 2.621 50 0 CFAAMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067724289 373996794 /nfs/dbraw/zinc/99/67/94/373996794.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 2 1 288.435 2.927 50 0 CFAAMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000067724289 373996801 /nfs/dbraw/zinc/99/68/01/373996801.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 2 1 288.435 2.927 50 0 CFAAMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000067724289 373996808 /nfs/dbraw/zinc/99/68/08/373996808.db2.gz WGACHEIXFSVPBZ-GOSISDBHSA-N 2 1 288.435 2.927 50 0 CFAAMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067842623 374006013 /nfs/dbraw/zinc/00/60/13/374006013.db2.gz JARLZMZHYLFSEB-INIZCTEOSA-N 3 1 293.499 2.620 50 0 CFAAMP Cc1ccsc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067675699 373991711 /nfs/dbraw/zinc/99/17/11/373991711.db2.gz GYWPQJZBTWUKND-UHFFFAOYSA-N 2 1 250.411 2.632 50 0 CFAAMP C[C@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069626925 374080540 /nfs/dbraw/zinc/08/05/40/374080540.db2.gz ZAUGAIWQMZSCGN-CQSZACIVSA-N 2 1 294.414 2.523 50 0 CFAAMP Fc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080959207 374677097 /nfs/dbraw/zinc/67/70/97/374677097.db2.gz YFZXRQCAYFYJIV-ZDUSSCGKSA-N 2 1 259.328 2.928 50 0 CFAAMP CC(C)C[N@H+]1CCCn2nc(C[NH2+]C3CCCC3)cc2C1 ZINC000082121794 374726187 /nfs/dbraw/zinc/72/61/87/374726187.db2.gz QYLYJBZOTQJCDB-UHFFFAOYSA-N 2 1 290.455 2.777 50 0 CFAAMP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139206 375527115 /nfs/dbraw/zinc/52/71/15/375527115.db2.gz ZUVURSWSSPQVGO-AWEZNQCLSA-N 2 1 273.380 2.776 50 0 CFAAMP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000097139206 375527117 /nfs/dbraw/zinc/52/71/17/375527117.db2.gz ZUVURSWSSPQVGO-AWEZNQCLSA-N 2 1 273.380 2.776 50 0 CFAAMP Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000170597216 379123772 /nfs/dbraw/zinc/12/37/72/379123772.db2.gz VAYZOPLRLGIRFG-GOSISDBHSA-N 2 1 297.402 2.875 50 0 CFAAMP CC(C)COCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369513039 381277988 /nfs/dbraw/zinc/27/79/88/381277988.db2.gz YSAKHPGHTQMIIM-MRXNPFEDSA-N 2 1 268.445 2.609 50 0 CFAAMP CC(C)COCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369513039 381277995 /nfs/dbraw/zinc/27/79/95/381277995.db2.gz YSAKHPGHTQMIIM-MRXNPFEDSA-N 2 1 268.445 2.609 50 0 CFAAMP COc1ccc(C[N@@H+](C)CCn2ccnc2)cc1Cl ZINC000215369770 382778498 /nfs/dbraw/zinc/77/84/98/382778498.db2.gz UNMITVJVDMRHSU-UHFFFAOYSA-N 2 1 279.771 2.677 50 0 CFAAMP FCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099221 382855584 /nfs/dbraw/zinc/85/55/84/382855584.db2.gz SOYFSAMBNCLAOL-BRWVUGGUSA-N 2 1 276.399 2.846 50 0 CFAAMP Cc1ccc2c(cc(C[N@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)n2C)c1 ZINC000426419750 383399937 /nfs/dbraw/zinc/39/99/37/383399937.db2.gz KJHFQOVXIMBDEI-AMBYYYRHSA-N 2 1 295.430 2.669 50 0 CFAAMP Cc1ccc2c(cc(C[N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)n2C)c1 ZINC000426419750 383399942 /nfs/dbraw/zinc/39/99/42/383399942.db2.gz KJHFQOVXIMBDEI-AMBYYYRHSA-N 2 1 295.430 2.669 50 0 CFAAMP Fc1ccc(/C=C/C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426698492 383409863 /nfs/dbraw/zinc/40/98/63/383409863.db2.gz VOGJJRXTEGFLRU-GZAMDXNMSA-N 2 1 272.367 2.521 50 0 CFAAMP Fc1ccc(/C=C/C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426698492 383409867 /nfs/dbraw/zinc/40/98/67/383409867.db2.gz VOGJJRXTEGFLRU-GZAMDXNMSA-N 2 1 272.367 2.521 50 0 CFAAMP C[NH+]1CCC(C)(C[NH+]2CC(Oc3ccc(F)cc3)C2)CC1 ZINC000216076223 393755320 /nfs/dbraw/zinc/75/53/20/393755320.db2.gz KCQKGIAZYQQRPH-UHFFFAOYSA-N 2 1 292.398 2.621 50 0 CFAAMP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037490699 173232239 /nfs/dbraw/zinc/23/22/39/173232239.db2.gz KBXDZHLWXBDDFT-QZTJIDSGSA-N 2 1 288.435 2.544 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040719664 174385298 /nfs/dbraw/zinc/38/52/98/174385298.db2.gz VNSWFNCCMXXPAK-UHFFFAOYSA-N 2 1 270.804 2.826 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044535888 175199172 /nfs/dbraw/zinc/19/91/72/175199172.db2.gz QTZNUQMUTCJDFA-CQSZACIVSA-N 2 1 262.397 2.517 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044535888 175199174 /nfs/dbraw/zinc/19/91/74/175199174.db2.gz QTZNUQMUTCJDFA-CQSZACIVSA-N 2 1 262.397 2.517 50 0 CFAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCO)C1 ZINC000071905405 176296180 /nfs/dbraw/zinc/29/61/80/176296180.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCO)C1 ZINC000071905405 176296181 /nfs/dbraw/zinc/29/61/81/176296181.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCO)C1 ZINC000071905405 176296184 /nfs/dbraw/zinc/29/61/84/176296184.db2.gz OFYHBCULHPANFM-IAGOWNOFSA-N 2 1 282.472 2.735 50 0 CFAAMP Cc1cc(Nc2ccccn2)cc([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343458 176372132 /nfs/dbraw/zinc/37/21/32/176372132.db2.gz NYQKTIRVZVATCU-CYBMUJFWSA-N 2 1 268.364 2.996 50 0 CFAAMP CCCC[N@@H+](C/C=C/c1ccccc1)C[C@]1(O)CC[NH2+]C1 ZINC000077458283 177271170 /nfs/dbraw/zinc/27/11/70/177271170.db2.gz KETPQHSSICBLNK-HKMNZKMDSA-N 2 1 288.435 2.526 50 0 CFAAMP C[N@H+]1CC[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535329 651299900 /nfs/dbraw/zinc/29/99/00/651299900.db2.gz JSQOPRTXVVOROJ-KRWDZBQOSA-N 2 1 288.435 2.619 50 0 CFAAMP Cc1ccc(OCC[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000124757610 187152289 /nfs/dbraw/zinc/15/22/89/187152289.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 2 1 276.424 2.790 50 0 CFAAMP Cc1ccc(OCC[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000124757610 187152290 /nfs/dbraw/zinc/15/22/90/187152290.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 2 1 276.424 2.790 50 0 CFAAMP Cc1ccc(OCC[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000124757610 187152291 /nfs/dbraw/zinc/15/22/91/187152291.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 2 1 276.424 2.790 50 0 CFAAMP Cc1ccc(OCC[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000124757610 187152292 /nfs/dbraw/zinc/15/22/92/187152292.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 2 1 276.424 2.790 50 0 CFAAMP Cc1ccc(C(C)C)cc1OCCCC[NH2+]CC[NH3+] ZINC000039960863 346344973 /nfs/dbraw/zinc/34/49/73/346344973.db2.gz BPSHCXHBVABUSQ-UHFFFAOYSA-N 2 1 264.413 2.826 50 0 CFAAMP COC[C@@H]1C[N@@H+](Cc2sccc2C)CC12CC[NH2+]CC2 ZINC000169789797 348052104 /nfs/dbraw/zinc/05/21/04/348052104.db2.gz YLVTXHXTCSIMNF-AWEZNQCLSA-N 2 1 294.464 2.505 50 0 CFAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000584887653 348727532 /nfs/dbraw/zinc/72/75/32/348727532.db2.gz KRRGCLVZEOVTMU-OAHLLOKOSA-N 2 1 292.471 2.688 50 0 CFAAMP CCC[C@@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000091425865 180152071 /nfs/dbraw/zinc/15/20/71/180152071.db2.gz APDYRQCZRYMXQX-ZDUSSCGKSA-N 2 1 250.390 2.544 50 0 CFAAMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000000757852 371649403 /nfs/dbraw/zinc/64/94/03/371649403.db2.gz FVZSWYBJWJQBOE-MRXNPFEDSA-N 2 1 276.449 2.746 50 0 CFAAMP CSCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2 ZINC000012580237 371976196 /nfs/dbraw/zinc/97/61/96/371976196.db2.gz IHTGGNDJTVLQRI-MRXNPFEDSA-N 2 1 282.497 2.937 50 0 CFAAMP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012580237 371976207 /nfs/dbraw/zinc/97/62/07/371976207.db2.gz IHTGGNDJTVLQRI-MRXNPFEDSA-N 2 1 282.497 2.937 50 0 CFAAMP CSCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012580237 371976216 /nfs/dbraw/zinc/97/62/16/371976216.db2.gz IHTGGNDJTVLQRI-MRXNPFEDSA-N 2 1 282.497 2.937 50 0 CFAAMP COc1ccccc1[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000067841444 374006365 /nfs/dbraw/zinc/00/63/65/374006365.db2.gz YOLXLZWGETWTKJ-CYBMUJFWSA-N 2 1 262.397 2.688 50 0 CFAAMP C=Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000067674203 373989444 /nfs/dbraw/zinc/98/94/44/373989444.db2.gz FVCHJIWWQZZSMQ-QGZVFWFLSA-N 2 1 256.393 2.905 50 0 CFAAMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOC(C)C)C2)[nH+]1 ZINC000097200892 375539386 /nfs/dbraw/zinc/53/93/86/375539386.db2.gz AHGPMLSFFXCMBG-OAHLLOKOSA-N 2 1 277.412 2.549 50 0 CFAAMP Cc1cccc(NC[C@H]2CC[N@H+](CCOC(C)C)C2)[nH+]1 ZINC000097200892 375539393 /nfs/dbraw/zinc/53/93/93/375539393.db2.gz AHGPMLSFFXCMBG-OAHLLOKOSA-N 2 1 277.412 2.549 50 0 CFAAMP Cc1ccc(N2CCC([NH2+]C3CCSCC3)CC2)[nH+]c1 ZINC000096478326 375489640 /nfs/dbraw/zinc/48/96/40/375489640.db2.gz ZKWWZBDRPGJHTG-UHFFFAOYSA-N 2 1 291.464 2.844 50 0 CFAAMP CC(=O)c1cc(CN(C)CCn2cc[nH+]c2C)cs1 ZINC000215398104 382778400 /nfs/dbraw/zinc/77/84/00/382778400.db2.gz SAJGOROSNQGFEW-UHFFFAOYSA-N 2 1 277.393 2.588 50 0 CFAAMP c1coc(CCC[NH+]2CCC(N3CCSCC3)CC2)c1 ZINC000244884181 382994444 /nfs/dbraw/zinc/99/44/44/382994444.db2.gz YGWSTUYNKLXPIG-UHFFFAOYSA-N 2 1 294.464 2.725 50 0 CFAAMP CC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252512280 383416820 /nfs/dbraw/zinc/41/68/20/383416820.db2.gz OTECVMHJLUSALA-KBAYOESNSA-N 2 1 290.451 2.912 50 0 CFAAMP CC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252512280 383416823 /nfs/dbraw/zinc/41/68/23/383416823.db2.gz OTECVMHJLUSALA-KBAYOESNSA-N 2 1 290.451 2.912 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000252486194 131135471 /nfs/dbraw/zinc/13/54/71/131135471.db2.gz GNTNSSWUMSNISO-NXHRZFHOSA-N 2 1 288.435 2.808 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000252486194 131135473 /nfs/dbraw/zinc/13/54/73/131135473.db2.gz GNTNSSWUMSNISO-NXHRZFHOSA-N 2 1 288.435 2.808 50 0 CFAAMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000095959703 393814667 /nfs/dbraw/zinc/81/46/67/393814667.db2.gz YPYAKHUBXKRALR-CHWSQXEVSA-N 2 1 250.361 2.770 50 0 CFAAMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000095959703 393814671 /nfs/dbraw/zinc/81/46/71/393814671.db2.gz YPYAKHUBXKRALR-CHWSQXEVSA-N 2 1 250.361 2.770 50 0 CFAAMP CC(C)C[N@H+]1CC[C@@H](CN(C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840742 /nfs/dbraw/zinc/84/07/42/393840742.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 2 1 292.471 2.874 50 0 CFAAMP C[N@@H+](C1CC[NH+](C2CCOCC2)CC1)[C@H]1C=CCCC1 ZINC000066497760 543107183 /nfs/dbraw/zinc/10/71/83/543107183.db2.gz WLNODZHKLGETPP-HNNXBMFYSA-N 2 1 278.440 2.670 50 0 CFAAMP FCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000108464647 397598136 /nfs/dbraw/zinc/59/81/36/397598136.db2.gz SOYFSAMBNCLAOL-YESZJQIVSA-N 2 1 276.399 2.846 50 0 CFAAMP Cc1ccc(NCCC[NH2+]C2Cc3ccccc3C2)[nH+]c1 ZINC000825195430 782004687 /nfs/dbraw/zinc/00/46/87/782004687.db2.gz WTVIICLJBBJTQC-UHFFFAOYSA-N 2 1 281.403 2.949 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000008377164 170333762 /nfs/dbraw/zinc/33/37/62/170333762.db2.gz OGBZAZGZBVUIBQ-UHFFFAOYSA-N 2 1 262.328 2.785 50 0 CFAAMP CC(C)=CC[NH+]1CCC(N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968974 277324505 /nfs/dbraw/zinc/32/45/05/277324505.db2.gz OHKPOXLHGKWAGQ-MSOLQXFVSA-N 2 1 293.499 2.879 50 0 CFAAMP C[C@H]([NH2+][C@H]1CCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000221772864 278283964 /nfs/dbraw/zinc/28/39/64/278283964.db2.gz BWUXZJWQECJIGD-MJBXVCDLSA-N 2 1 268.470 2.735 50 0 CFAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534649351 328343878 /nfs/dbraw/zinc/34/38/78/328343878.db2.gz RJAMMQRSNLHWPD-HNNXBMFYSA-N 2 1 292.471 2.824 50 0 CFAAMP Cc1cc(C[C@H](C)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067982565 524836408 /nfs/dbraw/zinc/83/64/08/524836408.db2.gz WGCMKLKUMVAVMA-ZDUSSCGKSA-N 2 1 290.455 2.551 50 0 CFAAMP CC[N@H+]1CCC[C@H](N2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000032519410 779019532 /nfs/dbraw/zinc/01/95/32/779019532.db2.gz GNIWFILOVKJHGZ-ROUUACIJSA-N 2 1 293.499 2.669 50 0 CFAAMP CCCc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)cc(C)[nH+]1 ZINC000823015205 781918380 /nfs/dbraw/zinc/91/83/80/781918380.db2.gz XRACOLVSSODBHG-CHWSQXEVSA-N 2 1 262.401 2.632 50 0 CFAAMP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484326 230381156 /nfs/dbraw/zinc/38/11/56/230381156.db2.gz VUWRZGJYAXLRIP-YESZJQIVSA-N 2 1 288.435 2.979 50 0 CFAAMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000097743427 529820159 /nfs/dbraw/zinc/82/01/59/529820159.db2.gz YEIOVYMYNLDQRR-UJAVWCLSSA-N 2 1 262.372 2.770 50 0 CFAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000584887652 348727631 /nfs/dbraw/zinc/72/76/31/348727631.db2.gz KRRGCLVZEOVTMU-HNNXBMFYSA-N 2 1 292.471 2.688 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000095422527 540724351 /nfs/dbraw/zinc/72/43/51/540724351.db2.gz WFXWISMKVMFDQC-MELADBBJSA-N 2 1 268.445 2.795 50 0 CFAAMP COc1cc(F)ccc1C[N@H+]1CCC[C@@H](CC[NH+](C)C)C1 ZINC000670456137 541001434 /nfs/dbraw/zinc/00/14/34/541001434.db2.gz SWXDTLGDGUJGCA-AWEZNQCLSA-N 2 1 294.414 2.998 50 0 CFAAMP Cc1[nH+]cn(CC[NH2+][C@H](C)COc2ccccc2)c1C ZINC000670467447 541006853 /nfs/dbraw/zinc/00/68/53/541006853.db2.gz NEQDOGDADAPHMZ-CYBMUJFWSA-N 2 1 273.380 2.557 50 0 CFAAMP COc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC000002811283 371757213 /nfs/dbraw/zinc/75/72/13/371757213.db2.gz HKBHPHYPOAKESL-UHFFFAOYSA-N 2 1 276.424 2.838 50 0 CFAAMP COc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC000002811283 371757221 /nfs/dbraw/zinc/75/72/21/371757221.db2.gz HKBHPHYPOAKESL-UHFFFAOYSA-N 2 1 276.424 2.838 50 0 CFAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000037644469 372682701 /nfs/dbraw/zinc/68/27/01/372682701.db2.gz HLWWWELPILXENL-CYBMUJFWSA-N 2 1 288.391 2.873 50 0 CFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000037644469 372682710 /nfs/dbraw/zinc/68/27/10/372682710.db2.gz HLWWWELPILXENL-CYBMUJFWSA-N 2 1 288.391 2.873 50 0 CFAAMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525381 373566801 /nfs/dbraw/zinc/56/68/01/373566801.db2.gz GOHSAOBEZZSUNJ-GFCCVEGCSA-N 2 1 292.427 2.672 50 0 CFAAMP C[N@@H+](Cc1ccsc1)Cc1ccc(CC[NH3+])cc1 ZINC000070542593 374190791 /nfs/dbraw/zinc/19/07/91/374190791.db2.gz GYICTPLKQAMYFU-UHFFFAOYSA-N 2 1 260.406 2.881 50 0 CFAAMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000152582283 378430835 /nfs/dbraw/zinc/43/08/35/378430835.db2.gz JQXGZUNGYXCGGB-HZPDHXFCSA-N 2 1 280.456 2.679 50 0 CFAAMP Cc1cc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)nc(C)[nH+]1 ZINC000342700468 381488092 /nfs/dbraw/zinc/48/80/92/381488092.db2.gz QVPBGRYAPBIRAS-OAHLLOKOSA-N 2 1 288.439 2.840 50 0 CFAAMP C[C@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299781795 382045400 /nfs/dbraw/zinc/04/54/00/382045400.db2.gz WLYWWVVWXSTJRO-CYBMUJFWSA-N 2 1 274.364 2.638 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000215837172 382780948 /nfs/dbraw/zinc/78/09/48/382780948.db2.gz AGEXNNVHENSWQQ-CQSZACIVSA-N 2 1 257.381 2.927 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000215837172 382780949 /nfs/dbraw/zinc/78/09/49/382780949.db2.gz AGEXNNVHENSWQQ-CQSZACIVSA-N 2 1 257.381 2.927 50 0 CFAAMP C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000252802297 383435422 /nfs/dbraw/zinc/43/54/22/383435422.db2.gz LBUXPBUYIHWUKQ-WMLDXEAASA-N 2 1 297.402 2.901 50 0 CFAAMP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000262020315 383595631 /nfs/dbraw/zinc/59/56/31/383595631.db2.gz WCFVEGRVBDGFKY-ZBFHGGJFSA-N 2 1 292.398 2.669 50 0 CFAAMP C[N@@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000022224384 171380131 /nfs/dbraw/zinc/38/01/31/171380131.db2.gz IYFLUPZUCRRCIR-UHFFFAOYSA-N 2 1 297.402 2.606 50 0 CFAAMP O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037490697 173232420 /nfs/dbraw/zinc/23/24/20/173232420.db2.gz KBXDZHLWXBDDFT-MSOLQXFVSA-N 2 1 288.435 2.544 50 0 CFAAMP CSc1cccc(C[N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000067885573 175799993 /nfs/dbraw/zinc/79/99/93/175799993.db2.gz WCNZTQXKPBHWHJ-UHFFFAOYSA-N 2 1 264.438 2.840 50 0 CFAAMP CC(C)=CC[NH+]1CCC(N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968977 277324516 /nfs/dbraw/zinc/32/45/16/277324516.db2.gz OHKPOXLHGKWAGQ-ZWKOTPCHSA-N 2 1 293.499 2.879 50 0 CFAAMP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000089689314 281345008 /nfs/dbraw/zinc/34/50/08/281345008.db2.gz QGBWPOXQNBJZAK-HZPDHXFCSA-N 2 1 272.436 3.000 50 0 CFAAMP COc1ccccc1C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000004021839 618886620 /nfs/dbraw/zinc/88/66/20/618886620.db2.gz XTNDQECBOQUYKJ-ZBFHGGJFSA-N 2 1 276.424 2.700 50 0 CFAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000015067944 651184610 /nfs/dbraw/zinc/18/46/10/651184610.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 2 1 280.456 2.611 50 0 CFAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000015067944 651184612 /nfs/dbraw/zinc/18/46/12/651184612.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 2 1 280.456 2.611 50 0 CFAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000015067944 651184615 /nfs/dbraw/zinc/18/46/15/651184615.db2.gz ZWGOEISOIYLHRQ-QGZVFWFLSA-N 2 1 280.456 2.611 50 0 CFAAMP C[N@H+]1CC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000020535327 651299731 /nfs/dbraw/zinc/29/97/31/651299731.db2.gz JSQOPRTXVVOROJ-QGZVFWFLSA-N 2 1 288.435 2.619 50 0 CFAAMP CC1(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)CCOCC1 ZINC000426550451 776947743 /nfs/dbraw/zinc/94/77/43/776947743.db2.gz NIVMNXFIXYDYCZ-UHFFFAOYSA-N 2 1 280.456 2.659 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967134 185046176 /nfs/dbraw/zinc/04/61/76/185046176.db2.gz UWGIMAMCYKMEOJ-CJNGLKHVSA-N 2 1 264.388 2.688 50 0 CFAAMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000097164430 185553972 /nfs/dbraw/zinc/55/39/72/185553972.db2.gz BUONXKFIHKRNDS-CYBMUJFWSA-N 2 1 275.371 2.713 50 0 CFAAMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000097373213 347708476 /nfs/dbraw/zinc/70/84/76/347708476.db2.gz TZXCUUSMWXWNFY-RBSFLKMASA-N 2 1 268.445 2.512 50 0 CFAAMP Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000158422102 188375088 /nfs/dbraw/zinc/37/50/88/188375088.db2.gz HEMIFKUSPCQJAI-KRWDZBQOSA-N 2 1 297.402 2.569 50 0 CFAAMP Cc1cccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000158422102 188375089 /nfs/dbraw/zinc/37/50/89/188375089.db2.gz HEMIFKUSPCQJAI-KRWDZBQOSA-N 2 1 297.402 2.569 50 0 CFAAMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000000213540 371559020 /nfs/dbraw/zinc/55/90/20/371559020.db2.gz FRXTVKMLTMOUJU-LBPRGKRZSA-N 2 1 250.361 2.961 50 0 CFAAMP C[C@@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004154856 371838229 /nfs/dbraw/zinc/83/82/29/371838229.db2.gz RYJLDVIZDHEQLN-INMHGKMJSA-N 2 1 260.425 2.924 50 0 CFAAMP C[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cccs2)C1 ZINC000032919224 372476688 /nfs/dbraw/zinc/47/66/88/372476688.db2.gz BGTXITFOQAWWOI-ZDUSSCGKSA-N 2 1 252.427 2.960 50 0 CFAAMP Cn1cncc1C[N@H+]1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000067834074 374006101 /nfs/dbraw/zinc/00/61/01/374006101.db2.gz LYNROLIJXYJAQG-SFHVURJKSA-N 2 1 298.434 2.819 50 0 CFAAMP Cc1c2ccccc2[nH]c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000067894421 374012908 /nfs/dbraw/zinc/01/29/08/374012908.db2.gz UGLAEZOCOIRIDF-UHFFFAOYSA-N 2 1 257.381 2.660 50 0 CFAAMP Cc1c2ccccc2[nH]c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000067894421 374012915 /nfs/dbraw/zinc/01/29/15/374012915.db2.gz UGLAEZOCOIRIDF-UHFFFAOYSA-N 2 1 257.381 2.660 50 0 CFAAMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)cc1O ZINC000067871957 374013502 /nfs/dbraw/zinc/01/35/02/374013502.db2.gz BVCVZZVERLAASP-LLVKDONJSA-N 2 1 298.814 2.615 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095496704 375461728 /nfs/dbraw/zinc/46/17/28/375461728.db2.gz HLDQBCQMZYJBRH-MRXNPFEDSA-N 2 1 299.418 2.765 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095496704 375461734 /nfs/dbraw/zinc/46/17/34/375461734.db2.gz HLDQBCQMZYJBRH-MRXNPFEDSA-N 2 1 299.418 2.765 50 0 CFAAMP C[N@H+](Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000097259216 375546996 /nfs/dbraw/zinc/54/69/96/375546996.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 2 1 284.403 2.929 50 0 CFAAMP C[NH+](Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[N@H+](C)C1 ZINC000097259216 375547001 /nfs/dbraw/zinc/54/70/01/375547001.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 2 1 284.403 2.929 50 0 CFAAMP C[NH+](Cc1ccc2cc(O)ccc2c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000097259216 375547005 /nfs/dbraw/zinc/54/70/05/375547005.db2.gz XJGNMFGKNHOWGY-OAHLLOKOSA-N 2 1 284.403 2.929 50 0 CFAAMP Cc1cc(C)n(CC[N@@H+](C)CC(C)(C)C[NH+]2CCCC2)n1 ZINC000215350963 382778472 /nfs/dbraw/zinc/77/84/72/382778472.db2.gz RHTMBLIPSMBMSI-UHFFFAOYSA-N 2 1 292.471 2.554 50 0 CFAAMP Cc1cc(C)n(CC[N@H+](C)CC(C)(C)C[NH+]2CCCC2)n1 ZINC000215350963 382778473 /nfs/dbraw/zinc/77/84/73/382778473.db2.gz RHTMBLIPSMBMSI-UHFFFAOYSA-N 2 1 292.471 2.554 50 0 CFAAMP Cc1ncccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237588954 382965351 /nfs/dbraw/zinc/96/53/51/382965351.db2.gz NRWXSHWRVKFADG-UHFFFAOYSA-N 2 1 261.413 2.789 50 0 CFAAMP Cc1cccc(N2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)[C@@H]4[NH3+])CC2)c1 ZINC000426545081 383404961 /nfs/dbraw/zinc/40/49/61/383404961.db2.gz NQZJKSZPVFFRNZ-HGKCTWBKSA-N 2 1 299.462 2.633 50 0 CFAAMP Fc1ccc(OC[C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000262020311 383595642 /nfs/dbraw/zinc/59/56/42/383595642.db2.gz WCFVEGRVBDGFKY-GOEBONIOSA-N 2 1 292.398 2.669 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000252486193 131135088 /nfs/dbraw/zinc/13/50/88/131135088.db2.gz GNTNSSWUMSNISO-NJAFHUGGSA-N 2 1 288.435 2.808 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000252486193 131135090 /nfs/dbraw/zinc/13/50/90/131135090.db2.gz GNTNSSWUMSNISO-NJAFHUGGSA-N 2 1 288.435 2.808 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1ccccc1 ZINC000215219759 397619083 /nfs/dbraw/zinc/61/90/83/397619083.db2.gz OXKJBXCFOQEUQS-UHFFFAOYSA-N 2 1 257.381 2.756 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1ccccc1 ZINC000215219759 397619084 /nfs/dbraw/zinc/61/90/84/397619084.db2.gz OXKJBXCFOQEUQS-UHFFFAOYSA-N 2 1 257.381 2.756 50 0 CFAAMP Cc1cc(C)cc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000006549386 170212029 /nfs/dbraw/zinc/21/20/29/170212029.db2.gz YGRSHCRKYDOMSA-UHFFFAOYSA-N 2 1 285.395 2.650 50 0 CFAAMP CCOc1ccc2ccccc2c1C[NH2+]CCC[NH2+]C ZINC000008325078 170331447 /nfs/dbraw/zinc/33/14/47/170331447.db2.gz DZBWLJMBGMBBCI-UHFFFAOYSA-N 2 1 272.392 2.938 50 0 CFAAMP CCCOc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000020967350 171282465 /nfs/dbraw/zinc/28/24/65/171282465.db2.gz KQEGUNOKDCFQLR-UHFFFAOYSA-N 2 1 250.386 2.517 50 0 CFAAMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000040601294 174351397 /nfs/dbraw/zinc/35/13/97/174351397.db2.gz PORYXGKEHZSMDO-AWEZNQCLSA-N 2 1 269.392 2.666 50 0 CFAAMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000071820823 176270778 /nfs/dbraw/zinc/27/07/78/176270778.db2.gz FTQLWOLODNIXHL-OAHLLOKOSA-N 2 1 298.434 2.897 50 0 CFAAMP Cc1cc(Nc2ccccn2)cc([C@H]2CCC[NH2+]C2)[nH+]1 ZINC000072343459 176372102 /nfs/dbraw/zinc/37/21/02/176372102.db2.gz NYQKTIRVZVATCU-ZDUSSCGKSA-N 2 1 268.364 2.996 50 0 CFAAMP C[C@@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004154858 279009922 /nfs/dbraw/zinc/00/99/22/279009922.db2.gz RYJLDVIZDHEQLN-BFYDXBDKSA-N 2 1 260.425 2.924 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1F ZINC000095969053 185047449 /nfs/dbraw/zinc/04/74/49/185047449.db2.gz GANPCTVYBJTDBX-RISCZKNCSA-N 2 1 289.354 2.759 50 0 CFAAMP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974242 185049996 /nfs/dbraw/zinc/04/99/96/185049996.db2.gz AZAGKHNKHOSHAZ-DLBZAZTESA-N 2 1 287.451 2.859 50 0 CFAAMP C[C@H](CCCO)[NH2+][C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000195553557 348146216 /nfs/dbraw/zinc/14/62/16/348146216.db2.gz KJHPXEWVWLUHRC-CABCVRRESA-N 2 1 268.445 2.534 50 0 CFAAMP C[C@H](CCCO)[NH2+][C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000195553557 348146217 /nfs/dbraw/zinc/14/62/17/348146217.db2.gz KJHPXEWVWLUHRC-CABCVRRESA-N 2 1 268.445 2.534 50 0 CFAAMP Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000158422231 188375454 /nfs/dbraw/zinc/37/54/54/188375454.db2.gz HEMIFKUSPCQJAI-QGZVFWFLSA-N 2 1 297.402 2.569 50 0 CFAAMP Cc1cccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000158422231 188375456 /nfs/dbraw/zinc/37/54/56/188375456.db2.gz HEMIFKUSPCQJAI-QGZVFWFLSA-N 2 1 297.402 2.569 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H]1C ZINC000685939690 540020678 /nfs/dbraw/zinc/02/06/78/540020678.db2.gz WFXWISMKVMFDQC-RDBSUJKOSA-N 2 1 268.445 2.795 50 0 CFAAMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494888 540234269 /nfs/dbraw/zinc/23/42/69/540234269.db2.gz OHLMIHIBZZTAPU-MRXNPFEDSA-N 2 1 276.449 2.557 50 0 CFAAMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCSCC3)C2)cc1 ZINC000252494888 540234271 /nfs/dbraw/zinc/23/42/71/540234271.db2.gz OHLMIHIBZZTAPU-MRXNPFEDSA-N 2 1 276.449 2.557 50 0 CFAAMP C1CCC([N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818385 540719828 /nfs/dbraw/zinc/71/98/28/540719828.db2.gz XAORVQBBUPJEJG-OAHLLOKOSA-N 2 1 266.429 2.552 50 0 CFAAMP C1CCC([N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818385 540719833 /nfs/dbraw/zinc/71/98/33/540719833.db2.gz XAORVQBBUPJEJG-OAHLLOKOSA-N 2 1 266.429 2.552 50 0 CFAAMP CC(C)[N@@H+]1CC[C@H](C[NH+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991433 /nfs/dbraw/zinc/99/14/33/540991433.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[N@H+]1CC[C@H](C[NH+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991435 /nfs/dbraw/zinc/99/14/35/540991435.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[NH+]1CC[C@H](C[N@H+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991439 /nfs/dbraw/zinc/99/14/39/540991439.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991442 /nfs/dbraw/zinc/99/14/42/540991442.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 2 1 286.423 2.725 50 0 CFAAMP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC000670444621 540996748 /nfs/dbraw/zinc/99/67/48/540996748.db2.gz YIFGLADUVQFTKJ-GFCCVEGCSA-N 2 1 287.329 2.853 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019250 371829063 /nfs/dbraw/zinc/82/90/63/371829063.db2.gz DAGGEUHIWOTDNG-UMVBOHGHSA-N 2 1 292.423 2.522 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019250 371829058 /nfs/dbraw/zinc/82/90/58/371829058.db2.gz DAGGEUHIWOTDNG-UMVBOHGHSA-N 2 1 292.423 2.522 50 0 CFAAMP CC(C)(C)C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032576756 372445651 /nfs/dbraw/zinc/44/56/51/372445651.db2.gz AMKXGUVXQYVPDE-UHFFFAOYSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041651850 372858209 /nfs/dbraw/zinc/85/82/09/372858209.db2.gz MMHVGNHORNINFX-CQSZACIVSA-N 2 1 284.407 2.508 50 0 CFAAMP C[C@H](c1cccc(F)c1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069630105 374080398 /nfs/dbraw/zinc/08/03/98/374080398.db2.gz YNQCJMOTJZIATE-CQSZACIVSA-N 2 1 294.414 2.523 50 0 CFAAMP Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000095422593 375442810 /nfs/dbraw/zinc/44/28/10/375442810.db2.gz CIZSUVQESQNNCF-QGZVFWFLSA-N 2 1 288.439 2.625 50 0 CFAAMP Cc1ccccc1C[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000096477642 375489677 /nfs/dbraw/zinc/48/96/77/375489677.db2.gz PIFFTAOBIVFFPN-INIZCTEOSA-N 2 1 290.451 2.626 50 0 CFAAMP Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000097610113 375573757 /nfs/dbraw/zinc/57/37/57/375573757.db2.gz YVSXLBBSPUUPLR-INIZCTEOSA-N 2 1 296.418 2.765 50 0 CFAAMP Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC000097610113 375573767 /nfs/dbraw/zinc/57/37/67/375573767.db2.gz YVSXLBBSPUUPLR-INIZCTEOSA-N 2 1 296.418 2.765 50 0 CFAAMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000152582100 378431579 /nfs/dbraw/zinc/43/15/79/378431579.db2.gz JQXGZUNGYXCGGB-CVEARBPZSA-N 2 1 280.456 2.679 50 0 CFAAMP C[C@@H](C[NH3+])Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000299781810 382045520 /nfs/dbraw/zinc/04/55/20/382045520.db2.gz WLYWWVVWXSTJRO-ZDUSSCGKSA-N 2 1 274.364 2.638 50 0 CFAAMP Cc1nc(CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cs1 ZINC000244646879 382989113 /nfs/dbraw/zinc/98/91/13/382989113.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cs1 ZINC000244646879 382989115 /nfs/dbraw/zinc/98/91/15/382989115.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)cs1 ZINC000244646879 382989119 /nfs/dbraw/zinc/98/91/19/382989119.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 2 1 281.469 2.656 50 0 CFAAMP Cc1nc(CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)cs1 ZINC000244646879 382989123 /nfs/dbraw/zinc/98/91/23/382989123.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 2 1 281.469 2.656 50 0 CFAAMP CCc1[nH+]ccn1CCN1CCc2c3ccccc3[nH]c2C1 ZINC000244899389 382994737 /nfs/dbraw/zinc/99/47/37/382994737.db2.gz ZIXSBICEWMIJDM-UHFFFAOYSA-N 2 1 294.402 2.985 50 0 CFAAMP COc1ccc(CC[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC000426509185 383402504 /nfs/dbraw/zinc/40/25/04/383402504.db2.gz ADLANHYAURTMHM-NYCLONFESA-N 2 1 288.435 2.685 50 0 CFAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000426698276 383409992 /nfs/dbraw/zinc/40/99/92/383409992.db2.gz OBFDBHHSXUHXIG-YWVIFJGQSA-N 2 1 256.349 2.602 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489653 393474058 /nfs/dbraw/zinc/47/40/58/393474058.db2.gz DAGGEUHIWOTDNG-KCQAQPDRSA-N 2 1 292.423 2.522 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489653 393474065 /nfs/dbraw/zinc/47/40/65/393474065.db2.gz DAGGEUHIWOTDNG-KCQAQPDRSA-N 2 1 292.423 2.522 50 0 CFAAMP CCN(C)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252510634 393936955 /nfs/dbraw/zinc/93/69/55/393936955.db2.gz AZAGKHNKHOSHAZ-IRXDYDNUSA-N 2 1 287.451 2.859 50 0 CFAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC000004989206 170050038 /nfs/dbraw/zinc/05/00/38/170050038.db2.gz UCGKCIFISPMLPP-UHFFFAOYSA-N 2 1 262.397 2.659 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000008377152 170333968 /nfs/dbraw/zinc/33/39/68/170333968.db2.gz VEBFPBXIDXHABQ-UHFFFAOYSA-N 2 1 262.328 2.785 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967734 171282295 /nfs/dbraw/zinc/28/22/95/171282295.db2.gz XLPYRENOOUJECC-UHFFFAOYSA-N 2 1 277.195 2.701 50 0 CFAAMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035686562 172354133 /nfs/dbraw/zinc/35/41/33/172354133.db2.gz XKFKRJTVXUWDTN-AWEZNQCLSA-N 2 1 290.407 2.769 50 0 CFAAMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035686562 172354135 /nfs/dbraw/zinc/35/41/35/172354135.db2.gz XKFKRJTVXUWDTN-AWEZNQCLSA-N 2 1 290.407 2.769 50 0 CFAAMP [NH3+]CC[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000039960848 174179922 /nfs/dbraw/zinc/17/99/22/174179922.db2.gz OLIUFUMNRIMKNU-UHFFFAOYSA-N 2 1 277.195 2.701 50 0 CFAAMP C[N@@H+](Cc1ccco1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072132118 176321481 /nfs/dbraw/zinc/32/14/81/176321481.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 2 1 262.397 2.976 50 0 CFAAMP C[N@H+](Cc1ccco1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072132118 176321482 /nfs/dbraw/zinc/32/14/82/176321482.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 2 1 262.397 2.976 50 0 CFAAMP C[NH+](Cc1ccco1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072132118 176321483 /nfs/dbraw/zinc/32/14/83/176321483.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 2 1 262.397 2.976 50 0 CFAAMP C[NH+](Cc1ccco1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072132118 176321485 /nfs/dbraw/zinc/32/14/85/176321485.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 2 1 262.397 2.976 50 0 CFAAMP C[NH+](C)CCC[NH2+]Cc1cc(Br)cs1 ZINC000020306024 260118130 /nfs/dbraw/zinc/11/81/30/260118130.db2.gz VXVLMXKXIDGGCH-UHFFFAOYSA-N 2 1 277.231 2.552 50 0 CFAAMP Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000067880949 280376436 /nfs/dbraw/zinc/37/64/36/280376436.db2.gz VDYUVMZWGXZARS-AWEZNQCLSA-N 2 1 299.340 2.989 50 0 CFAAMP CC(C)[NH+]1CCC(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000828630075 782099762 /nfs/dbraw/zinc/09/97/62/782099762.db2.gz TZAMVGUAAMYIEA-MRXNPFEDSA-N 2 1 282.472 2.590 50 0 CFAAMP [NH3+]CC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000022039762 527189303 /nfs/dbraw/zinc/18/93/03/527189303.db2.gz MQDQVWLADWHQBV-UHFFFAOYSA-N 2 1 270.376 2.671 50 0 CFAAMP Cc1[nH+]ccn1CCC[NH+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000252509083 566832560 /nfs/dbraw/zinc/83/25/60/566832560.db2.gz YCDOGTWBNYMSTF-HNNXBMFYSA-N 2 1 286.423 2.848 50 0 CFAAMP Cc1ccc(NCCC[NH2+]Cc2cnc(C(C)C)nc2)[nH+]c1 ZINC000952989099 650791889 /nfs/dbraw/zinc/79/18/89/650791889.db2.gz BYWZAVOJWBMHKM-UHFFFAOYSA-N 2 1 299.422 2.895 50 0 CFAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000065526639 769900131 /nfs/dbraw/zinc/90/01/31/769900131.db2.gz JKSVUUJMFWHEIG-MRXNPFEDSA-N 2 1 284.407 2.808 50 0 CFAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)cc1 ZINC000065526639 769900145 /nfs/dbraw/zinc/90/01/45/769900145.db2.gz JKSVUUJMFWHEIG-MRXNPFEDSA-N 2 1 284.407 2.808 50 0 CFAAMP Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000095422592 282169401 /nfs/dbraw/zinc/16/94/01/282169401.db2.gz CIZSUVQESQNNCF-KRWDZBQOSA-N 2 1 288.439 2.625 50 0 CFAAMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000036301379 372571920 /nfs/dbraw/zinc/57/19/20/372571920.db2.gz OCJAKFGLDBXOSM-UHFFFAOYSA-N 2 1 272.314 2.889 50 0 CFAAMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000036301379 372571925 /nfs/dbraw/zinc/57/19/25/372571925.db2.gz OCJAKFGLDBXOSM-UHFFFAOYSA-N 2 1 272.314 2.889 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000057234777 373584423 /nfs/dbraw/zinc/58/44/23/373584423.db2.gz NDQQOTOSDVYPJH-UHFFFAOYSA-N 2 1 258.365 2.548 50 0 CFAAMP CCCc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc(C)[nH+]1 ZINC000065398456 373866373 /nfs/dbraw/zinc/86/63/73/373866373.db2.gz RQGPZMNCTNGHLC-HNNXBMFYSA-N 2 1 294.468 2.587 50 0 CFAAMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000067784528 374002511 /nfs/dbraw/zinc/00/25/11/374002511.db2.gz XLQSXRRTHLXQSR-OAHLLOKOSA-N 2 1 274.408 2.595 50 0 CFAAMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069630103 374080846 /nfs/dbraw/zinc/08/08/46/374080846.db2.gz YNQCJMOTJZIATE-AWEZNQCLSA-N 2 1 294.414 2.523 50 0 CFAAMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095600 375516126 /nfs/dbraw/zinc/51/61/26/375516126.db2.gz RMTOIAKLZVQARC-CJNGLKHVSA-N 2 1 284.407 2.554 50 0 CFAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@H]([NH3+])CC3)cc21 ZINC000097601116 375571165 /nfs/dbraw/zinc/57/11/65/375571165.db2.gz COXDYCUSSWKWDF-INIZCTEOSA-N 2 1 271.408 2.974 50 0 CFAAMP Cc1c[nH+]c(C)n1C[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000409420906 380959393 /nfs/dbraw/zinc/95/93/93/380959393.db2.gz BNUFMXYTLRFCIH-KRWDZBQOSA-N 2 1 284.407 2.807 50 0 CFAAMP Cc1c[nH+]c(C)n1C[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000409420907 380959731 /nfs/dbraw/zinc/95/97/31/380959731.db2.gz BNUFMXYTLRFCIH-QGZVFWFLSA-N 2 1 284.407 2.807 50 0 CFAAMP c1sc(C[NH+]2CCSCC2)cc1C[NH+]1CCCC1 ZINC000215607711 382779839 /nfs/dbraw/zinc/77/98/39/382779839.db2.gz ZVIPDVCTGYHHPA-UHFFFAOYSA-N 2 1 282.478 2.893 50 0 CFAAMP CC[C@@H]1C=CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000215704859 382780333 /nfs/dbraw/zinc/78/03/33/382780333.db2.gz XXCIXSTVHSDRRG-MRXNPFEDSA-N 2 1 274.408 2.777 50 0 CFAAMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000221869179 382799838 /nfs/dbraw/zinc/79/98/38/382799838.db2.gz RMTOIAKLZVQARC-XJKSGUPXSA-N 2 1 284.407 2.554 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118626 383114736 /nfs/dbraw/zinc/11/47/36/383114736.db2.gz WCFJVJDFJXUAKJ-HIFRSBDPSA-N 2 1 271.408 2.751 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118626 383114740 /nfs/dbraw/zinc/11/47/40/383114740.db2.gz WCFJVJDFJXUAKJ-HIFRSBDPSA-N 2 1 271.408 2.751 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000252499203 383414001 /nfs/dbraw/zinc/41/40/01/383414001.db2.gz RWYNFCWGZFGTDV-INIZCTEOSA-N 2 1 270.380 2.814 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000252499203 383414003 /nfs/dbraw/zinc/41/40/03/383414003.db2.gz RWYNFCWGZFGTDV-INIZCTEOSA-N 2 1 270.380 2.814 50 0 CFAAMP Fc1ccc(OC[C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1 ZINC000262020310 383596464 /nfs/dbraw/zinc/59/64/64/383596464.db2.gz WCFVEGRVBDGFKY-GDBMZVCRSA-N 2 1 292.398 2.669 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000108324377 397598089 /nfs/dbraw/zinc/59/80/89/397598089.db2.gz AWTPMGAGJUTLCY-CQJMVSDSSA-N 2 1 280.456 2.652 50 0 CFAAMP CCCOc1ccc(Cl)cc1C[NH2+]CCC[NH2+]C ZINC000020967783 171282799 /nfs/dbraw/zinc/28/27/99/171282799.db2.gz YAATVLYKZUMRRU-UHFFFAOYSA-N 2 1 270.804 2.828 50 0 CFAAMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000040592876 174347805 /nfs/dbraw/zinc/34/78/05/174347805.db2.gz RRFBGSKHALYDPT-ZIAGYGMSSA-N 2 1 262.397 2.688 50 0 CFAAMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OC(C)C ZINC000040719582 174385198 /nfs/dbraw/zinc/38/51/98/174385198.db2.gz JNOZARLHZFDSLX-UHFFFAOYSA-N 2 1 294.439 2.914 50 0 CFAAMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942260 278262212 /nfs/dbraw/zinc/26/22/12/278262212.db2.gz GNLNYDMSBAMWIL-GJZGRUSLSA-N 2 1 287.451 2.888 50 0 CFAAMP Cc1csc(CC[NH2+][C@@H](C)CCn2cc[nH+]c2C)n1 ZINC000534582500 328312428 /nfs/dbraw/zinc/31/24/28/328312428.db2.gz ZYLIWHMVMIDDHF-NSHDSACASA-N 2 1 278.425 2.567 50 0 CFAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534649359 328343915 /nfs/dbraw/zinc/34/39/15/328343915.db2.gz RJAMMQRSNLHWPD-OAHLLOKOSA-N 2 1 292.471 2.824 50 0 CFAAMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000152582182 323627265 /nfs/dbraw/zinc/62/72/65/323627265.db2.gz JQXGZUNGYXCGGB-HOTGVXAUSA-N 2 1 280.456 2.679 50 0 CFAAMP C[N@@H+](CCCc1cccnc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000252482846 619060982 /nfs/dbraw/zinc/06/09/82/619060982.db2.gz DOZVRYVISFQAGJ-MRXNPFEDSA-N 2 1 275.440 2.676 50 0 CFAAMP C[NH+](CCCc1cccnc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000252482846 619060987 /nfs/dbraw/zinc/06/09/87/619060987.db2.gz DOZVRYVISFQAGJ-MRXNPFEDSA-N 2 1 275.440 2.676 50 0 CFAAMP C[NH+](CCCc1cccnc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000252482846 619060990 /nfs/dbraw/zinc/06/09/90/619060990.db2.gz DOZVRYVISFQAGJ-MRXNPFEDSA-N 2 1 275.440 2.676 50 0 CFAAMP Cc1ncsc1C[NH2+][C@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888099151 619132813 /nfs/dbraw/zinc/13/28/13/619132813.db2.gz WOOOKXWIHIFNHG-RYUDHWBXSA-N 2 1 276.409 2.611 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)cc1 ZINC000096461413 230378054 /nfs/dbraw/zinc/37/80/54/230378054.db2.gz NBGSENPRNXTQJD-ZDUSSCGKSA-N 2 1 295.390 2.765 50 0 CFAAMP COc1ccc(CCCC[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000095969137 185048130 /nfs/dbraw/zinc/04/81/30/185048130.db2.gz GANYMKZGYVWCQB-UHFFFAOYSA-N 2 1 276.424 2.702 50 0 CFAAMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC000195560659 348146233 /nfs/dbraw/zinc/14/62/33/348146233.db2.gz TZXCUUSMWXWNFY-QLFBSQMISA-N 2 1 268.445 2.512 50 0 CFAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584903627 348733768 /nfs/dbraw/zinc/73/37/68/348733768.db2.gz CXFKNJMXXFHARD-CYBMUJFWSA-N 2 1 272.396 2.636 50 0 CFAAMP C[N@H+](CCC1(O)CCCC1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000823701117 781936549 /nfs/dbraw/zinc/93/65/49/781936549.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 2 1 294.483 2.878 50 0 CFAAMP C[N@@H+](CCC1(O)CCCC1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000823701117 781936555 /nfs/dbraw/zinc/93/65/55/781936555.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 2 1 294.483 2.878 50 0 CFAAMP C[NH+](CCC1(O)CCCC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000823701117 781936561 /nfs/dbraw/zinc/93/65/61/781936561.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 2 1 294.483 2.878 50 0 CFAAMP C[NH+](CCC1(O)CCCC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000823701117 781936565 /nfs/dbraw/zinc/93/65/65/781936565.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 2 1 294.483 2.878 50 0 CFAAMP COc1cc(F)ccc1C[N@H+]1CCC[C@H](CC[NH+](C)C)C1 ZINC000670456138 541001592 /nfs/dbraw/zinc/00/15/92/541001592.db2.gz SWXDTLGDGUJGCA-CQSZACIVSA-N 2 1 294.414 2.998 50 0 CFAAMP CC[NH+](CC)CC[NH+]=C1CCCc2ccccc2N1 ZINC000000196628 371556178 /nfs/dbraw/zinc/55/61/78/371556178.db2.gz HANBURBEPABLAP-UHFFFAOYSA-N 2 1 259.397 2.984 50 0 CFAAMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525378 373566320 /nfs/dbraw/zinc/56/63/20/373566320.db2.gz GOHSAOBEZZSUNJ-LBPRGKRZSA-N 2 1 292.427 2.672 50 0 CFAAMP C/C=C(\C)C[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000065407308 373868366 /nfs/dbraw/zinc/86/83/66/373868366.db2.gz LVCPQBHLIHEHSM-LNKIKWGQSA-N 2 1 259.397 2.868 50 0 CFAAMP Cc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)c3)CC2)o1 ZINC000072423820 374251904 /nfs/dbraw/zinc/25/19/04/374251904.db2.gz RQEVIWZZJRJXRN-UHFFFAOYSA-N 2 1 285.391 2.922 50 0 CFAAMP CC[C@@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088504630 374849825 /nfs/dbraw/zinc/84/98/25/374849825.db2.gz QJZLPMYSRGDOBI-OAGGEKHMSA-N 2 1 282.472 2.854 50 0 CFAAMP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413392 375557634 /nfs/dbraw/zinc/55/76/34/375557634.db2.gz OGLQAFXYTBODCH-LBPRGKRZSA-N 2 1 288.313 2.898 50 0 CFAAMP CC(C)c1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000097474978 375564179 /nfs/dbraw/zinc/56/41/79/375564179.db2.gz XMMOCKRYTAKRHF-UHFFFAOYSA-N 2 1 279.453 2.842 50 0 CFAAMP Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)cn2)cc1C ZINC000097773078 375584788 /nfs/dbraw/zinc/58/47/88/375584788.db2.gz DFPGBPYMAYUQJM-INIZCTEOSA-N 2 1 298.434 2.660 50 0 CFAAMP Cc1ccc(-n2cc(C[N@H+]3CCC[C@@H](C[NH3+])C3)cn2)cc1C ZINC000097773078 375584793 /nfs/dbraw/zinc/58/47/93/375584793.db2.gz DFPGBPYMAYUQJM-INIZCTEOSA-N 2 1 298.434 2.660 50 0 CFAAMP Cc1c[nH+]c(C[C@@H]2CCC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676617 379108064 /nfs/dbraw/zinc/10/80/64/379108064.db2.gz SHSQTSLQBRPQRT-HNNXBMFYSA-N 2 1 287.382 2.921 50 0 CFAAMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616000 382819471 /nfs/dbraw/zinc/81/94/71/382819471.db2.gz UVTCEELAJRNNTR-SOUVJXGZSA-N 2 1 299.443 2.979 50 0 CFAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@H]12 ZINC000225616000 382819473 /nfs/dbraw/zinc/81/94/73/382819473.db2.gz UVTCEELAJRNNTR-SOUVJXGZSA-N 2 1 299.443 2.979 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C12CCCC2 ZINC000241969513 382985049 /nfs/dbraw/zinc/98/50/49/382985049.db2.gz UWXAJPDRJCFLFO-YHUYYLMFSA-N 2 1 280.456 2.797 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCCC2 ZINC000241969513 382985052 /nfs/dbraw/zinc/98/50/52/382985052.db2.gz UWXAJPDRJCFLFO-YHUYYLMFSA-N 2 1 280.456 2.797 50 0 CFAAMP C[NH+]1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000215097827 397619220 /nfs/dbraw/zinc/61/92/20/397619220.db2.gz XFBAGAGGGJQJGQ-UHFFFAOYSA-N 2 1 250.411 2.666 50 0 CFAAMP CCCC[N@@H+](CCCCO)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000020864276 171276638 /nfs/dbraw/zinc/27/66/38/171276638.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 2 1 284.488 2.981 50 0 CFAAMP CCCC[NH+](CCCCO)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000020864276 171276639 /nfs/dbraw/zinc/27/66/39/171276639.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 2 1 284.488 2.981 50 0 CFAAMP CCCC[NH+](CCCCO)C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000020864276 171276641 /nfs/dbraw/zinc/27/66/41/171276641.db2.gz QHAUDDBHXNALJV-KRWDZBQOSA-N 2 1 284.488 2.981 50 0 CFAAMP CCCC[N@@H+](C/C=C/c1ccccc1)C[C@@]1(O)CC[NH2+]C1 ZINC000077458285 177271027 /nfs/dbraw/zinc/27/10/27/177271027.db2.gz KETPQHSSICBLNK-RUJXFNLJSA-N 2 1 288.435 2.526 50 0 CFAAMP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101424698 277162363 /nfs/dbraw/zinc/16/23/63/277162363.db2.gz IXNHRSPFKLGGAC-ZYHUDNBSSA-N 2 1 258.287 2.657 50 0 CFAAMP Cc1cc(C(F)(F)F)cc(N2CCC[C@H](CC[NH3+])C2)[nH+]1 ZINC000534645946 328331864 /nfs/dbraw/zinc/33/18/64/328331864.db2.gz QTTGVNZQUVIMSU-LLVKDONJSA-N 2 1 287.329 2.974 50 0 CFAAMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984104 501004087 /nfs/dbraw/zinc/00/40/87/501004087.db2.gz JMPLMMVYBMQNGC-HIFRSBDPSA-N 2 1 279.453 2.760 50 0 CFAAMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984104 501004091 /nfs/dbraw/zinc/00/40/91/501004091.db2.gz JMPLMMVYBMQNGC-HIFRSBDPSA-N 2 1 279.453 2.760 50 0 CFAAMP CCCC[N@@H+](CCCCO)CC[C@H]1CCCC[NH+]1C ZINC000019809918 651294481 /nfs/dbraw/zinc/29/44/81/651294481.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 2 1 270.461 2.735 50 0 CFAAMP CCCC[NH+](CCCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000019809918 651294483 /nfs/dbraw/zinc/29/44/83/651294483.db2.gz LCIVSDZDSMVYTE-MRXNPFEDSA-N 2 1 270.461 2.735 50 0 CFAAMP CC[C@H](Cc1ccco1)[NH2+]CCn1c[nH+]c(C)c1C ZINC000822620678 781907852 /nfs/dbraw/zinc/90/78/52/781907852.db2.gz UEYJYIGXKITOCS-CQSZACIVSA-N 2 1 261.369 2.704 50 0 CFAAMP Clc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245281183 348251559 /nfs/dbraw/zinc/25/15/59/348251559.db2.gz ABTYTCCTLAHUKK-KBPBESRZSA-N 2 1 294.826 2.935 50 0 CFAAMP CCCCc1ncc(CN(C)C[C@H]2CC[N@H+](CC)C2)[nH]1 ZINC000670438675 540995384 /nfs/dbraw/zinc/99/53/84/540995384.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 2 1 278.444 2.526 50 0 CFAAMP CCCCc1ncc(CN(C)C[C@H]2CC[N@@H+](CC)C2)[nH]1 ZINC000670438675 540995386 /nfs/dbraw/zinc/99/53/86/540995386.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 2 1 278.444 2.526 50 0 CFAAMP C[NH+]1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000000214216 371561422 /nfs/dbraw/zinc/56/14/22/371561422.db2.gz RMFVSFFLSPJYGK-UHFFFAOYSA-N 2 1 272.314 2.889 50 0 CFAAMP CC(C)Oc1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000032105924 372427269 /nfs/dbraw/zinc/42/72/69/372427269.db2.gz XAHPRQLXBFRXQZ-UHFFFAOYSA-N 2 1 250.386 2.515 50 0 CFAAMP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032503404 372441235 /nfs/dbraw/zinc/44/12/35/372441235.db2.gz KSUFFOUHGNQUQD-INIZCTEOSA-N 2 1 268.445 2.750 50 0 CFAAMP CC(C)[NH+]1CCC([N@@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000032503402 372441402 /nfs/dbraw/zinc/44/14/02/372441402.db2.gz KSUFFOUHGNQUQD-MRXNPFEDSA-N 2 1 268.445 2.750 50 0 CFAAMP CC[N@H+]1CCC[C@@H](C[NH+](C)C2CCSCC2)C1 ZINC000032593227 372447141 /nfs/dbraw/zinc/44/71/41/372447141.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[NH+]1CCC[C@@H](C[N@H+](C)C2CCSCC2)C1 ZINC000032593227 372447142 /nfs/dbraw/zinc/44/71/42/372447142.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[NH+]1CCC[C@@H](C[N@@H+](C)C2CCSCC2)C1 ZINC000032593227 372447149 /nfs/dbraw/zinc/44/71/49/372447149.db2.gz NTYIEYPUKUXUHT-ZDUSSCGKSA-N 2 1 256.459 2.546 50 0 CFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000041651856 372856867 /nfs/dbraw/zinc/85/68/67/372856867.db2.gz MMHVGNHORNINFX-AWEZNQCLSA-N 2 1 284.407 2.508 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976516 373532248 /nfs/dbraw/zinc/53/22/48/373532248.db2.gz GDGJJJMFINQFHI-XJKCOSOUSA-N 2 1 262.397 2.514 50 0 CFAAMP CC(C)(C)OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000058396353 373654269 /nfs/dbraw/zinc/65/42/69/373654269.db2.gz LRDKITBUCSRUGU-UHFFFAOYSA-N 2 1 268.445 2.752 50 0 CFAAMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000071837282 374227871 /nfs/dbraw/zinc/22/78/71/374227871.db2.gz ZVJRQTRVZLVVTM-ZDUSSCGKSA-N 2 1 278.444 2.527 50 0 CFAAMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000071837282 374227879 /nfs/dbraw/zinc/22/78/79/374227879.db2.gz ZVJRQTRVZLVVTM-ZDUSSCGKSA-N 2 1 278.444 2.527 50 0 CFAAMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1SC ZINC000097228996 375542002 /nfs/dbraw/zinc/54/20/02/375542002.db2.gz FRBWSYJJPFDJAU-CQSZACIVSA-N 2 1 294.464 2.849 50 0 CFAAMP Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)[nH+]c1 ZINC000191101073 382691241 /nfs/dbraw/zinc/69/12/41/382691241.db2.gz FDXINKMJZYAOGO-INIZCTEOSA-N 2 1 287.407 2.641 50 0 CFAAMP CCc1ncc(C[N@H+](C)Cc2ccccc2C[NH+](C)C)cn1 ZINC000215974916 382781179 /nfs/dbraw/zinc/78/11/79/382781179.db2.gz ZKBGBTNBTZRHEO-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP CCc1ncc(C[N@@H+](C)Cc2ccccc2C[NH+](C)C)cn1 ZINC000215974916 382781182 /nfs/dbraw/zinc/78/11/82/382781182.db2.gz ZKBGBTNBTZRHEO-UHFFFAOYSA-N 2 1 298.434 2.733 50 0 CFAAMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118625 383114762 /nfs/dbraw/zinc/11/47/62/383114762.db2.gz WCFJVJDFJXUAKJ-DZGCQCFKSA-N 2 1 271.408 2.751 50 0 CFAAMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118625 383114766 /nfs/dbraw/zinc/11/47/66/383114766.db2.gz WCFJVJDFJXUAKJ-DZGCQCFKSA-N 2 1 271.408 2.751 50 0 CFAAMP Cc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000077524091 393699751 /nfs/dbraw/zinc/69/97/51/393699751.db2.gz YHQBTXMHKQBDIM-SUMWQHHRSA-N 2 1 267.376 2.684 50 0 CFAAMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC000241515757 393798149 /nfs/dbraw/zinc/79/81/49/393798149.db2.gz OHTMGXMSENDZNW-ZWKOTPCHSA-N 2 1 294.483 2.999 50 0 CFAAMP COc1ccccc1/C=C/C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000071924521 176301447 /nfs/dbraw/zinc/30/14/47/176301447.db2.gz KDTBACOUBVDNLT-GQCTYLIASA-N 2 1 286.419 2.925 50 0 CFAAMP c1ccc(N2CC[C@H]([N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426473374 275067866 /nfs/dbraw/zinc/06/78/66/275067866.db2.gz DMNMQCLATUTFSL-SFHVURJKSA-N 2 1 299.462 2.731 50 0 CFAAMP CC(C)=CC[NH+]1CCC(N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000095968975 277324537 /nfs/dbraw/zinc/32/45/37/277324537.db2.gz OHKPOXLHGKWAGQ-ROUUACIJSA-N 2 1 293.499 2.879 50 0 CFAAMP CC(C)C[C@]1(CO)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000243901875 519424317 /nfs/dbraw/zinc/42/43/17/519424317.db2.gz BFAOUEIXMYXTJV-IXDOHACOSA-N 2 1 282.472 2.625 50 0 CFAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952975220 615777227 /nfs/dbraw/zinc/77/72/27/615777227.db2.gz OMJOPGJGKDJHPY-UHFFFAOYSA-N 2 1 291.370 2.773 50 0 CFAAMP Cn1ccc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742955 230386769 /nfs/dbraw/zinc/38/67/69/230386769.db2.gz USVKVFWZUYYMRC-GOSISDBHSA-N 2 1 283.419 2.754 50 0 CFAAMP CC(C)CN1CCC([NH2+][C@@H](C)CCCC[NH+](C)C)CC1 ZINC000096006897 185063020 /nfs/dbraw/zinc/06/30/20/185063020.db2.gz RDEQAKKPBHXRJB-INIZCTEOSA-N 2 1 283.504 2.817 50 0 CFAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000584885332 348727445 /nfs/dbraw/zinc/72/74/45/348727445.db2.gz MCBOZNFRQWWWCC-GOSISDBHSA-N 2 1 299.462 2.683 50 0 CFAAMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000108322581 186212117 /nfs/dbraw/zinc/21/21/17/186212117.db2.gz YPYAKHUBXKRALR-OLZOCXBDSA-N 2 1 250.361 2.770 50 0 CFAAMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000108322581 186212119 /nfs/dbraw/zinc/21/21/19/186212119.db2.gz YPYAKHUBXKRALR-OLZOCXBDSA-N 2 1 250.361 2.770 50 0 CFAAMP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC)c1 ZINC000002933140 371764667 /nfs/dbraw/zinc/76/46/67/371764667.db2.gz NFBNQQGKYSIELK-UHFFFAOYSA-N 2 1 250.386 2.517 50 0 CFAAMP [NH3+]C1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000061714963 373723023 /nfs/dbraw/zinc/72/30/23/373723023.db2.gz AZKBUVHNMXVVIQ-UHFFFAOYSA-N 2 1 274.286 2.508 50 0 CFAAMP COCC1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072156536 374234436 /nfs/dbraw/zinc/23/44/36/374234436.db2.gz DYLDIQLVYVGKGL-DLBZAZTESA-N 2 1 280.456 2.609 50 0 CFAAMP COCC1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072156536 374234438 /nfs/dbraw/zinc/23/44/38/374234438.db2.gz DYLDIQLVYVGKGL-DLBZAZTESA-N 2 1 280.456 2.609 50 0 CFAAMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOC(C)C)C2)[nH+]1 ZINC000097200891 375539151 /nfs/dbraw/zinc/53/91/51/375539151.db2.gz AHGPMLSFFXCMBG-HNNXBMFYSA-N 2 1 277.412 2.549 50 0 CFAAMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOC(C)C)C2)[nH+]1 ZINC000097200891 375539158 /nfs/dbraw/zinc/53/91/58/375539158.db2.gz AHGPMLSFFXCMBG-HNNXBMFYSA-N 2 1 277.412 2.549 50 0 CFAAMP Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000170597215 379125231 /nfs/dbraw/zinc/12/52/31/379125231.db2.gz VAYZOPLRLGIRFG-SFHVURJKSA-N 2 1 297.402 2.875 50 0 CFAAMP CCn1cc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cn1 ZINC000575547949 382773810 /nfs/dbraw/zinc/77/38/10/382773810.db2.gz AZHZNBCJNWIXQO-INIZCTEOSA-N 2 1 299.422 2.732 50 0 CFAAMP C[C@@H](c1ccc(C[N@@H+](C)CCn2ccnc2)cc1)[NH+](C)C ZINC000215353135 382778597 /nfs/dbraw/zinc/77/85/97/382778597.db2.gz SUOHSGAPMQOQAT-HNNXBMFYSA-N 2 1 286.423 2.638 50 0 CFAAMP Cc1ccc(F)cc1C[N@@H+](C)CCCc1[nH+]ccn1C ZINC000215583330 382779488 /nfs/dbraw/zinc/77/94/88/382779488.db2.gz PBZYFYIQKHYILO-UHFFFAOYSA-N 2 1 275.371 2.932 50 0 CFAAMP Cc1ccc(F)cc1C[N@H+](C)CCCc1[nH+]ccn1C ZINC000215583330 382779489 /nfs/dbraw/zinc/77/94/89/382779489.db2.gz PBZYFYIQKHYILO-UHFFFAOYSA-N 2 1 275.371 2.932 50 0 CFAAMP CC[C@H](c1cccnc1)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000253378333 383453797 /nfs/dbraw/zinc/45/37/97/383453797.db2.gz BZWQUENPWHRRFE-VNQPRFMTSA-N 2 1 261.413 2.982 50 0 CFAAMP C[C@H]([NH2+][C@@H]1CCSC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096004789 393814432 /nfs/dbraw/zinc/81/44/32/393814432.db2.gz BWUXZJWQECJIGD-BFHYXJOUSA-N 2 1 268.470 2.735 50 0 CFAAMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000040592873 174347970 /nfs/dbraw/zinc/34/79/70/174347970.db2.gz RRFBGSKHALYDPT-UONOGXRCSA-N 2 1 262.397 2.688 50 0 CFAAMP c1ccc(CC[N@H+]2CC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000071422253 176160791 /nfs/dbraw/zinc/16/07/91/176160791.db2.gz PAUPVPHCSXHNKM-QGZVFWFLSA-N 2 1 258.409 2.551 50 0 CFAAMP CCCc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)o1 ZINC000072161007 176329881 /nfs/dbraw/zinc/32/98/81/176329881.db2.gz LERDGMWGEGIJHY-QGZVFWFLSA-N 2 1 294.439 2.511 50 0 CFAAMP c1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000078394247 177337283 /nfs/dbraw/zinc/33/72/83/177337283.db2.gz YAVIHFLBBVCHBF-UHFFFAOYSA-N 2 1 295.430 2.878 50 0 CFAAMP C[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000095419522 277031414 /nfs/dbraw/zinc/03/14/14/277031414.db2.gz JQZRKBSEVSMCOJ-MRXNPFEDSA-N 2 1 276.449 2.701 50 0 CFAAMP C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016446 277031600 /nfs/dbraw/zinc/03/16/00/277031600.db2.gz IFJLIBXFYDBRMV-AWEZNQCLSA-N 2 1 262.397 2.977 50 0 CFAAMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000037901174 293099120 /nfs/dbraw/zinc/09/91/20/293099120.db2.gz NTFJAMQXKRZMOZ-UHFFFAOYSA-N 2 1 278.444 2.771 50 0 CFAAMP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000037901174 293099123 /nfs/dbraw/zinc/09/91/23/293099123.db2.gz NTFJAMQXKRZMOZ-UHFFFAOYSA-N 2 1 278.444 2.771 50 0 CFAAMP Cc1cc(C(F)(F)F)cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])[nH+]1 ZINC000534578880 328311100 /nfs/dbraw/zinc/31/11/00/328311100.db2.gz CJMLEISSHGEYEI-DDFAGTSDSA-N 2 1 285.313 2.582 50 0 CFAAMP c1cc2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)CC3)nc2[nH]1 ZINC000534657135 328340801 /nfs/dbraw/zinc/34/08/01/328340801.db2.gz UUADXEWOGKXIJR-UHFFFAOYSA-N 2 1 298.434 2.919 50 0 CFAAMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2(CO)CCCC2)CC1 ZINC000828686728 782103544 /nfs/dbraw/zinc/10/35/44/782103544.db2.gz ABDKMPXDKPVZPK-UHFFFAOYSA-N 2 1 282.472 2.591 50 0 CFAAMP C[N@H+](Cc1ccc2ncccc2c1)CC1CC[NH2+]CC1 ZINC000067934939 624966218 /nfs/dbraw/zinc/96/62/18/624966218.db2.gz FOOBIJSQWOTYBO-UHFFFAOYSA-N 2 1 269.392 2.666 50 0 CFAAMP CN1CCC([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000952973715 626115727 /nfs/dbraw/zinc/11/57/27/626115727.db2.gz PAYBUJDVYQKALR-MRXNPFEDSA-N 2 1 287.451 2.539 50 0 CFAAMP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000952973715 626115731 /nfs/dbraw/zinc/11/57/31/626115731.db2.gz PAYBUJDVYQKALR-MRXNPFEDSA-N 2 1 287.451 2.539 50 0 CFAAMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000952973715 626115733 /nfs/dbraw/zinc/11/57/33/626115733.db2.gz PAYBUJDVYQKALR-MRXNPFEDSA-N 2 1 287.451 2.539 50 0 CFAAMP CC[N@H+]1CCC[C@H](CN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000020999196 651302431 /nfs/dbraw/zinc/30/24/31/651302431.db2.gz GDAJOKJEOCFCAI-KRWDZBQOSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[NH+]1CCC[C@H](CN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000020999196 651302433 /nfs/dbraw/zinc/30/24/33/651302433.db2.gz GDAJOKJEOCFCAI-KRWDZBQOSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[NH+]1CCC[C@H](CN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000020999196 651302434 /nfs/dbraw/zinc/30/24/34/651302434.db2.gz GDAJOKJEOCFCAI-KRWDZBQOSA-N 2 1 293.499 2.669 50 0 CFAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000821181570 781877844 /nfs/dbraw/zinc/87/78/44/781877844.db2.gz ADODUGJDJPMHIF-ZDUSSCGKSA-N 2 1 272.396 2.772 50 0 CFAAMP CC[C@@H](Cc1ccco1)[NH2+]CCn1c[nH+]c(C)c1C ZINC000822620677 781908235 /nfs/dbraw/zinc/90/82/35/781908235.db2.gz UEYJYIGXKITOCS-AWEZNQCLSA-N 2 1 261.369 2.704 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1F ZINC000095969054 185048088 /nfs/dbraw/zinc/04/80/88/185048088.db2.gz GANPCTVYBJTDBX-FZMZJTMJSA-N 2 1 289.354 2.759 50 0 CFAAMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169789909 348052488 /nfs/dbraw/zinc/05/24/88/348052488.db2.gz RYWIZZMUDZJGHX-OAHLLOKOSA-N 2 1 294.464 2.538 50 0 CFAAMP Cc1ccccc1OC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245343817 348252032 /nfs/dbraw/zinc/25/20/32/348252032.db2.gz VUWRZGJYAXLRIP-ULQDDVLXSA-N 2 1 288.435 2.979 50 0 CFAAMP CC1(C)CC([NH2+]Cc2ccc3nc[nH]c3c2)CC(C)(C)[NH2+]1 ZINC000590880807 348961411 /nfs/dbraw/zinc/96/14/11/348961411.db2.gz ITPIJXZHVKUNAJ-UHFFFAOYSA-N 2 1 286.423 2.962 50 0 CFAAMP Clc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772480 180038004 /nfs/dbraw/zinc/03/80/04/180038004.db2.gz ABTYTCCTLAHUKK-ZIAGYGMSSA-N 2 1 294.826 2.935 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@@H]1C ZINC000685939689 540020400 /nfs/dbraw/zinc/02/04/00/540020400.db2.gz WFXWISMKVMFDQC-IHRRRGAJSA-N 2 1 268.445 2.795 50 0 CFAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC000823770036 781938251 /nfs/dbraw/zinc/93/82/51/781938251.db2.gz JOHPZLZKEPIGJC-OAHLLOKOSA-N 2 1 280.456 2.609 50 0 CFAAMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000000213543 371561241 /nfs/dbraw/zinc/56/12/41/371561241.db2.gz FRXTVKMLTMOUJU-GFCCVEGCSA-N 2 1 250.361 2.961 50 0 CFAAMP c1ccc(CC[NH+]2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000000757833 371648757 /nfs/dbraw/zinc/64/87/57/371648757.db2.gz UGCGXWXLYSLRED-UHFFFAOYSA-N 2 1 290.476 2.742 50 0 CFAAMP [NH3+]C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000019280107 372154660 /nfs/dbraw/zinc/15/46/60/372154660.db2.gz VXMROVMSWPHDPP-UHFFFAOYSA-N 2 1 274.286 2.508 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000037643762 372679185 /nfs/dbraw/zinc/67/91/85/372679185.db2.gz XXBFMXFXKNDVMH-AWEZNQCLSA-N 2 1 262.397 2.517 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CC)C1 ZINC000037643762 372679190 /nfs/dbraw/zinc/67/91/90/372679190.db2.gz XXBFMXFXKNDVMH-AWEZNQCLSA-N 2 1 262.397 2.517 50 0 CFAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037643728 372679236 /nfs/dbraw/zinc/67/92/36/372679236.db2.gz NOUVZWDQMCBKRU-LBPRGKRZSA-N 2 1 252.789 2.771 50 0 CFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000037643728 372679241 /nfs/dbraw/zinc/67/92/41/372679241.db2.gz NOUVZWDQMCBKRU-LBPRGKRZSA-N 2 1 252.789 2.771 50 0 CFAAMP CC1(C)CC([NH2+]Cc2cncs2)CC(C)(C)[NH2+]1 ZINC000054770271 373530285 /nfs/dbraw/zinc/53/02/85/373530285.db2.gz XGJPBKZLHYRSOA-UHFFFAOYSA-N 2 1 253.415 2.542 50 0 CFAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H]1CCSC1 ZINC000065435771 373873779 /nfs/dbraw/zinc/87/37/79/373873779.db2.gz JXUPTQMEJYMRGM-AWEZNQCLSA-N 2 1 273.405 2.776 50 0 CFAAMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000067784532 374002746 /nfs/dbraw/zinc/00/27/46/374002746.db2.gz XLQSXRRTHLXQSR-HNNXBMFYSA-N 2 1 274.408 2.595 50 0 CFAAMP C[C@@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069626923 374081373 /nfs/dbraw/zinc/08/13/73/374081373.db2.gz ZAUGAIWQMZSCGN-AWEZNQCLSA-N 2 1 294.414 2.523 50 0 CFAAMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942262 375331995 /nfs/dbraw/zinc/33/19/95/375331995.db2.gz GNLNYDMSBAMWIL-LSDHHAIUSA-N 2 1 287.451 2.888 50 0 CFAAMP CC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@@H+]1CCOC ZINC000096003761 375466503 /nfs/dbraw/zinc/46/65/03/375466503.db2.gz IFHMOMOYNTZZKY-ZDUSSCGKSA-N 2 1 297.830 2.590 50 0 CFAAMP CC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@H+]1CCOC ZINC000096003761 375466509 /nfs/dbraw/zinc/46/65/09/375466509.db2.gz IFHMOMOYNTZZKY-ZDUSSCGKSA-N 2 1 297.830 2.590 50 0 CFAAMP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502723 375488974 /nfs/dbraw/zinc/48/89/74/375488974.db2.gz JZUXBIADDVIZDY-SJORKVTESA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502723 375488984 /nfs/dbraw/zinc/48/89/84/375488984.db2.gz JZUXBIADDVIZDY-SJORKVTESA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502723 375488994 /nfs/dbraw/zinc/48/89/94/375488994.db2.gz JZUXBIADDVIZDY-SJORKVTESA-N 2 1 293.499 2.715 50 0 CFAAMP C[N@H+](Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000097259215 375547253 /nfs/dbraw/zinc/54/72/53/375547253.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 2 1 284.403 2.929 50 0 CFAAMP C[NH+](Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[N@H+](C)C1 ZINC000097259215 375547259 /nfs/dbraw/zinc/54/72/59/375547259.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 2 1 284.403 2.929 50 0 CFAAMP C[NH+](Cc1ccc2cc(O)ccc2c1)C[C@H]1CC[N@@H+](C)C1 ZINC000097259215 375547263 /nfs/dbraw/zinc/54/72/63/375547263.db2.gz XJGNMFGKNHOWGY-HNNXBMFYSA-N 2 1 284.403 2.929 50 0 CFAAMP c1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CCO3)C2 ZINC000169676641 379107671 /nfs/dbraw/zinc/10/76/71/379107671.db2.gz ZHVLCFHYQCYCBJ-UHFFFAOYSA-N 2 1 294.398 2.727 50 0 CFAAMP Cc1c[nH+]c(C[C@H]2CCC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676618 379107991 /nfs/dbraw/zinc/10/79/91/379107991.db2.gz SHSQTSLQBRPQRT-OAHLLOKOSA-N 2 1 287.382 2.921 50 0 CFAAMP Fc1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000215234628 382778113 /nfs/dbraw/zinc/77/81/13/382778113.db2.gz ADIBXRVDHHAAIB-BETUJISGSA-N 2 1 286.350 2.737 50 0 CFAAMP Fc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000215234628 382778116 /nfs/dbraw/zinc/77/81/16/382778116.db2.gz ADIBXRVDHHAAIB-BETUJISGSA-N 2 1 286.350 2.737 50 0 CFAAMP COc1ccc(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)c(F)c1 ZINC000215391289 382778688 /nfs/dbraw/zinc/77/86/88/382778688.db2.gz JAOVIJNMVOXDBZ-INIZCTEOSA-N 2 1 280.387 2.608 50 0 CFAAMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000222064960 382800810 /nfs/dbraw/zinc/80/08/10/382800810.db2.gz YPYAKHUBXKRALR-STQMWFEESA-N 2 1 250.361 2.770 50 0 CFAAMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000222064960 382800811 /nfs/dbraw/zinc/80/08/11/382800811.db2.gz YPYAKHUBXKRALR-STQMWFEESA-N 2 1 250.361 2.770 50 0 CFAAMP CC[C@@H](c1ccccn1)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244831573 382992475 /nfs/dbraw/zinc/99/24/75/382992475.db2.gz UGJSHBVSLXRHGJ-LZWOXQAQSA-N 2 1 261.413 2.982 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000247136704 383145832 /nfs/dbraw/zinc/14/58/32/383145832.db2.gz AWTPMGAGJUTLCY-DGADGQDISA-N 2 1 280.456 2.652 50 0 CFAAMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552538 383419930 /nfs/dbraw/zinc/41/99/30/383419930.db2.gz UVTCEELAJRNNTR-RRFJBIMHSA-N 2 1 299.443 2.979 50 0 CFAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552538 383419932 /nfs/dbraw/zinc/41/99/32/383419932.db2.gz UVTCEELAJRNNTR-RRFJBIMHSA-N 2 1 299.443 2.979 50 0 CFAAMP c1ccc(N2CC[C@@H](Nc3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000270562992 385147499 /nfs/dbraw/zinc/14/74/99/385147499.db2.gz KGMJTUYAKWUMRU-GFCCVEGCSA-N 2 1 279.347 2.649 50 0 CFAAMP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)cc(C)[nH+]1 ZINC000072408473 393650577 /nfs/dbraw/zinc/65/05/77/393650577.db2.gz XECRVGABDCFJCX-UHFFFAOYSA-N 2 1 256.353 2.806 50 0 CFAAMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1F ZINC000037249275 173060867 /nfs/dbraw/zinc/06/08/67/173060867.db2.gz VLZAOIFFQXZWSV-NSHDSACASA-N 2 1 266.360 2.579 50 0 CFAAMP CC[C@@H](C)c1ccccc1OCCCC[NH2+]CC[NH3+] ZINC000039960864 174179782 /nfs/dbraw/zinc/17/97/82/174179782.db2.gz MVSNQHRXKPFHBP-CQSZACIVSA-N 2 1 264.413 2.907 50 0 CFAAMP Cc1cc(C(C)(C)C)ccc1OCCCC[NH2+]CC[NH3+] ZINC000039960860 174179874 /nfs/dbraw/zinc/17/98/74/174179874.db2.gz OHABFNBGVCDIAS-UHFFFAOYSA-N 2 1 278.440 3.000 50 0 CFAAMP CC[C@H](C)c1ccccc1OCCCC[NH2+]CC[NH3+] ZINC000039960865 174179932 /nfs/dbraw/zinc/17/99/32/174179932.db2.gz MVSNQHRXKPFHBP-AWEZNQCLSA-N 2 1 264.413 2.907 50 0 CFAAMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533053 175196471 /nfs/dbraw/zinc/19/64/71/175196471.db2.gz HWMCYKFILGUHJG-HNNXBMFYSA-N 2 1 276.424 2.905 50 0 CFAAMP CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533053 175196472 /nfs/dbraw/zinc/19/64/72/175196472.db2.gz HWMCYKFILGUHJG-HNNXBMFYSA-N 2 1 276.424 2.905 50 0 CFAAMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533350 175196776 /nfs/dbraw/zinc/19/67/76/175196776.db2.gz VFETUJSFKPCWAY-CABCVRRESA-N 2 1 276.424 2.558 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000072133022 176321750 /nfs/dbraw/zinc/32/17/50/176321750.db2.gz YJDWDSZIFAZMET-GEEKYZPCSA-N 2 1 259.397 2.560 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000072133022 176321751 /nfs/dbraw/zinc/32/17/51/176321751.db2.gz YJDWDSZIFAZMET-GEEKYZPCSA-N 2 1 259.397 2.560 50 0 CFAAMP CCCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)o1 ZINC000072161008 176330138 /nfs/dbraw/zinc/33/01/38/176330138.db2.gz LERDGMWGEGIJHY-KRWDZBQOSA-N 2 1 294.439 2.511 50 0 CFAAMP COc1ccccc1C[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000000217695 651101348 /nfs/dbraw/zinc/10/13/48/651101348.db2.gz XTNDQECBOQUYKJ-GOEBONIOSA-N 2 1 276.424 2.700 50 0 CFAAMP COc1cccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245289719 348251660 /nfs/dbraw/zinc/25/16/60/348251660.db2.gz DQHPUMSWRXQKSJ-IRXDYDNUSA-N 2 1 288.435 2.844 50 0 CFAAMP C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091626125 180210555 /nfs/dbraw/zinc/21/05/55/180210555.db2.gz COWOILUANTXDLX-MRXNPFEDSA-N 2 1 258.409 2.818 50 0 CFAAMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000000214838 371560455 /nfs/dbraw/zinc/56/04/55/371560455.db2.gz XCWDJFZIQMPNKJ-KRWDZBQOSA-N 2 1 276.424 2.526 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000000214838 371560460 /nfs/dbraw/zinc/56/04/60/371560460.db2.gz XCWDJFZIQMPNKJ-KRWDZBQOSA-N 2 1 276.424 2.526 50 0 CFAAMP C[N@H+]1CCC[C@H]1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000000277387 371576480 /nfs/dbraw/zinc/57/64/80/371576480.db2.gz RSNBIESXEKYLMW-IKXAHOJESA-N 2 1 262.441 2.885 50 0 CFAAMP [NH3+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000002506582 371730093 /nfs/dbraw/zinc/73/00/93/371730093.db2.gz KISVATOISQDZJU-UHFFFAOYSA-N 2 1 252.361 2.667 50 0 CFAAMP CCCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000002640176 371742772 /nfs/dbraw/zinc/74/27/72/371742772.db2.gz DOFQXGKPXVYMKO-UHFFFAOYSA-N 2 1 280.412 2.525 50 0 CFAAMP C/C(=C\c1ccccc1)C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065530214 373885435 /nfs/dbraw/zinc/88/54/35/373885435.db2.gz GYIVENNAGFGWQT-RVSUXWIQSA-N 2 1 256.393 2.916 50 0 CFAAMP C/C(=C\c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065530214 373885442 /nfs/dbraw/zinc/88/54/42/373885442.db2.gz GYIVENNAGFGWQT-RVSUXWIQSA-N 2 1 256.393 2.916 50 0 CFAAMP CC[C@@H](C[NH2+]C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000065382887 373861501 /nfs/dbraw/zinc/86/15/01/373861501.db2.gz HRQZRRWCVAUMRK-OAHLLOKOSA-N 2 1 260.425 2.939 50 0 CFAAMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000089340338 374896666 /nfs/dbraw/zinc/89/66/66/374896666.db2.gz KZFGSSHGGSFHEU-UHFFFAOYSA-N 2 1 250.361 2.743 50 0 CFAAMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000089340338 374896673 /nfs/dbraw/zinc/89/66/73/374896673.db2.gz KZFGSSHGGSFHEU-UHFFFAOYSA-N 2 1 250.361 2.743 50 0 CFAAMP CC(C)([NH3+])C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000097162688 375535318 /nfs/dbraw/zinc/53/53/18/375535318.db2.gz IWAVFQVPUKKSAW-UHFFFAOYSA-N 2 1 250.361 2.570 50 0 CFAAMP CC(C)([NH3+])C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000097162688 375535322 /nfs/dbraw/zinc/53/53/22/375535322.db2.gz IWAVFQVPUKKSAW-UHFFFAOYSA-N 2 1 250.361 2.570 50 0 CFAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000097360288 375551672 /nfs/dbraw/zinc/55/16/72/375551672.db2.gz NKIRCAVETPLLPG-UHFFFAOYSA-N 2 1 284.407 2.807 50 0 CFAAMP C(O[C@@H]1C[N@H+](C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676566 379108189 /nfs/dbraw/zinc/10/81/89/379108189.db2.gz UFYTXEBQDUHVOY-MRXNPFEDSA-N 2 1 278.440 2.552 50 0 CFAAMP C(O[C@@H]1C[N@@H+](C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676566 379108197 /nfs/dbraw/zinc/10/81/97/379108197.db2.gz UFYTXEBQDUHVOY-MRXNPFEDSA-N 2 1 278.440 2.552 50 0 CFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000170593006 379121287 /nfs/dbraw/zinc/12/12/87/379121287.db2.gz JELLUJGBHPEFPV-CYBMUJFWSA-N 2 1 250.361 2.518 50 0 CFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000170593006 379121304 /nfs/dbraw/zinc/12/13/04/379121304.db2.gz JELLUJGBHPEFPV-CYBMUJFWSA-N 2 1 250.361 2.518 50 0 CFAAMP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000170593007 379122505 /nfs/dbraw/zinc/12/25/05/379122505.db2.gz JELLUJGBHPEFPV-ZDUSSCGKSA-N 2 1 250.361 2.518 50 0 CFAAMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000170593007 379122508 /nfs/dbraw/zinc/12/25/08/379122508.db2.gz JELLUJGBHPEFPV-ZDUSSCGKSA-N 2 1 250.361 2.518 50 0 CFAAMP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CCS1 ZINC000390835077 382619554 /nfs/dbraw/zinc/61/95/54/382619554.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CCS1 ZINC000390835077 382619557 /nfs/dbraw/zinc/61/95/57/382619557.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CCS1 ZINC000390835077 382619559 /nfs/dbraw/zinc/61/95/59/382619559.db2.gz CCDQOCXZUHTZMX-ZIAGYGMSSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000390835075 382619872 /nfs/dbraw/zinc/61/98/72/382619872.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCS1 ZINC000390835075 382619874 /nfs/dbraw/zinc/61/98/74/382619874.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CCS1 ZINC000390835075 382619875 /nfs/dbraw/zinc/61/98/75/382619875.db2.gz CCDQOCXZUHTZMX-KGLIPLIRSA-N 2 1 256.459 2.688 50 0 CFAAMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccco2)CC1 ZINC000252503966 383415077 /nfs/dbraw/zinc/41/50/77/383415077.db2.gz VHNNLUGNNNTFQU-CQSZACIVSA-N 2 1 250.386 2.628 50 0 CFAAMP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984107 383590299 /nfs/dbraw/zinc/59/02/99/383590299.db2.gz JMPLMMVYBMQNGC-UKRRQHHQSA-N 2 1 279.453 2.760 50 0 CFAAMP Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984107 383590301 /nfs/dbraw/zinc/59/03/01/383590301.db2.gz JMPLMMVYBMQNGC-UKRRQHHQSA-N 2 1 279.453 2.760 50 0 CFAAMP Fc1ccc(OC[C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1 ZINC000262020313 383596434 /nfs/dbraw/zinc/59/64/34/383596434.db2.gz WCFVEGRVBDGFKY-HOCLYGCPSA-N 2 1 292.398 2.669 50 0 CFAAMP C[C@@H]1C[NH+](C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000019636601 393483346 /nfs/dbraw/zinc/48/33/46/393483346.db2.gz FWYRCAYEZAECOT-HZPDHXFCSA-N 2 1 288.435 2.760 50 0 CFAAMP CC[NH2+]C[C@@H]1CC[N@H+](CC)[C@H]1c1ccccc1OC ZINC000012412064 393472835 /nfs/dbraw/zinc/47/28/35/393472835.db2.gz VWHUFFHFYOSQOR-XJKSGUPXSA-N 2 1 262.397 2.688 50 0 CFAAMP CC[NH2+]C[C@@H]1CC[N@@H+](CC)[C@H]1c1ccccc1OC ZINC000012412064 393472843 /nfs/dbraw/zinc/47/28/43/393472843.db2.gz VWHUFFHFYOSQOR-XJKSGUPXSA-N 2 1 262.397 2.688 50 0 CFAAMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245550429 393814365 /nfs/dbraw/zinc/81/43/65/393814365.db2.gz HRFBMPZCSBIENV-JJXSEGSLSA-N 2 1 280.456 2.654 50 0 CFAAMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245550429 393814370 /nfs/dbraw/zinc/81/43/70/393814370.db2.gz HRFBMPZCSBIENV-JJXSEGSLSA-N 2 1 280.456 2.654 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000252509084 393937160 /nfs/dbraw/zinc/93/71/60/393937160.db2.gz YCDOGTWBNYMSTF-OAHLLOKOSA-N 2 1 286.423 2.848 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000252509084 393937163 /nfs/dbraw/zinc/93/71/63/393937163.db2.gz YCDOGTWBNYMSTF-OAHLLOKOSA-N 2 1 286.423 2.848 50 0 CFAAMP CCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1OC ZINC000002933152 169845085 /nfs/dbraw/zinc/84/50/85/169845085.db2.gz TVLCXGLGGHMUMZ-UHFFFAOYSA-N 2 1 294.439 2.915 50 0 CFAAMP C[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000020122537 171002975 /nfs/dbraw/zinc/00/29/75/171002975.db2.gz XDYXGPAROFTBQT-UHFFFAOYSA-N 2 1 252.789 2.566 50 0 CFAAMP CCCOc1ccc(C[NH2+]CCC[NH2+]C)cc1Cl ZINC000020967398 171282378 /nfs/dbraw/zinc/28/23/78/171282378.db2.gz MWBDHLRXNMLDEG-UHFFFAOYSA-N 2 1 270.804 2.828 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408275 173184703 /nfs/dbraw/zinc/18/47/03/173184703.db2.gz WIAWXSHDOYSPBN-CQSZACIVSA-N 2 1 274.408 2.659 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408275 173184704 /nfs/dbraw/zinc/18/47/04/173184704.db2.gz WIAWXSHDOYSPBN-CQSZACIVSA-N 2 1 274.408 2.659 50 0 CFAAMP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037490700 173232404 /nfs/dbraw/zinc/23/24/04/173232404.db2.gz KBXDZHLWXBDDFT-ZWKOTPCHSA-N 2 1 288.435 2.544 50 0 CFAAMP c1ccc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000037515580 173246928 /nfs/dbraw/zinc/24/69/28/173246928.db2.gz ZQSZPVKLPMMWPQ-UHFFFAOYSA-N 2 1 258.409 2.693 50 0 CFAAMP c1ccc2cc(N3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000077357752 177257059 /nfs/dbraw/zinc/25/70/59/177257059.db2.gz IQKZQPFNRGVYFP-INIZCTEOSA-N 2 1 295.430 2.571 50 0 CFAAMP COCCC[C@H]1CCC[N@@H+](Cc2cccc(CC[NH3+])c2)C1 ZINC000077518619 177277479 /nfs/dbraw/zinc/27/74/79/177277479.db2.gz BNURZHCLEHTNSN-QGZVFWFLSA-N 2 1 290.451 2.826 50 0 CFAAMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)O1 ZINC000089917916 281316295 /nfs/dbraw/zinc/31/62/95/281316295.db2.gz JQYWDEXWQBIDCC-CQSZACIVSA-N 2 1 266.429 2.549 50 0 CFAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](CCCO)C1 ZINC000828748557 782105292 /nfs/dbraw/zinc/10/52/92/782105292.db2.gz KBXDVRGXCBFXJN-MRXNPFEDSA-N 2 1 282.472 2.593 50 0 CFAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000086585493 179310270 /nfs/dbraw/zinc/31/02/70/179310270.db2.gz BDOJVAGKAPCIRE-ZDUSSCGKSA-N 2 1 282.815 2.780 50 0 CFAAMP CC(C)(C[NH2+][C@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000584897469 348731004 /nfs/dbraw/zinc/73/10/04/348731004.db2.gz SQKJAEDBVFWFDY-INIZCTEOSA-N 2 1 287.451 2.729 50 0 CFAAMP COc1ccc2c(c1)C[C@H]([NH2+]CCn1c[nH+]c(C)c1C)CC2 ZINC000670471961 541010475 /nfs/dbraw/zinc/01/04/75/541010475.db2.gz VMFOGIRNDKWHIB-QGZVFWFLSA-N 2 1 299.418 2.656 50 0 CFAAMP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000225596718 189759162 /nfs/dbraw/zinc/75/91/62/189759162.db2.gz FINUWYXOKNQRQD-HNNXBMFYSA-N 2 1 256.353 2.564 50 0 CFAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000000248238 371567714 /nfs/dbraw/zinc/56/77/14/371567714.db2.gz AIYRXRFTMFTKOD-UHFFFAOYSA-N 2 1 250.361 2.790 50 0 CFAAMP C[NH2+]C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011888811 371933629 /nfs/dbraw/zinc/93/36/29/371933629.db2.gz UBQXDXFPOHBPAE-CQSZACIVSA-N 2 1 266.816 2.814 50 0 CFAAMP [NH3+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015423796 372083487 /nfs/dbraw/zinc/08/34/87/372083487.db2.gz IONRLOMCVXWXIJ-UHFFFAOYSA-N 2 1 258.287 2.629 50 0 CFAAMP c1c[nH]c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023409440 372257808 /nfs/dbraw/zinc/25/78/08/372257808.db2.gz IXRZUHFLPHVHAS-UHFFFAOYSA-N 2 1 269.392 2.769 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000032541231 372443266 /nfs/dbraw/zinc/44/32/66/372443266.db2.gz INOMOGODLUVEJE-INIZCTEOSA-N 2 1 268.445 2.752 50 0 CFAAMP CC(C)=CC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000042816719 372958115 /nfs/dbraw/zinc/95/81/15/372958115.db2.gz NLTBGXLZKSBGHW-INIZCTEOSA-N 2 1 266.429 2.576 50 0 CFAAMP CCNc1cc[nH+]c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC000065435088 373872570 /nfs/dbraw/zinc/87/25/70/373872570.db2.gz BLLKZLHERKSEED-UHFFFAOYSA-N 2 1 291.443 2.972 50 0 CFAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000065435768 373872736 /nfs/dbraw/zinc/87/27/36/373872736.db2.gz JXUPTQMEJYMRGM-CQSZACIVSA-N 2 1 273.405 2.776 50 0 CFAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000067739407 373997665 /nfs/dbraw/zinc/99/76/65/373997665.db2.gz WNMCKKBHALJYED-CQSZACIVSA-N 2 1 295.390 2.556 50 0 CFAAMP Cc1ccccc1N1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)CC1 ZINC000091593152 375053682 /nfs/dbraw/zinc/05/36/82/375053682.db2.gz SVMAZJRJXHOCRC-MSOLQXFVSA-N 2 1 299.462 2.633 50 0 CFAAMP CC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@@H+]1CCOC ZINC000096003760 375466576 /nfs/dbraw/zinc/46/65/76/375466576.db2.gz IFHMOMOYNTZZKY-CYBMUJFWSA-N 2 1 297.830 2.590 50 0 CFAAMP CC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@H+]1CCOC ZINC000096003760 375466584 /nfs/dbraw/zinc/46/65/84/375466584.db2.gz IFHMOMOYNTZZKY-CYBMUJFWSA-N 2 1 297.830 2.590 50 0 CFAAMP CC[NH+]1CCC([N@H+](C)Cc2cccc(COC)c2)CC1 ZINC000095432395 375446595 /nfs/dbraw/zinc/44/65/95/375446595.db2.gz MMGPWBYWGHBZMQ-UHFFFAOYSA-N 2 1 276.424 2.749 50 0 CFAAMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(COC)c2)CC1 ZINC000095432395 375446598 /nfs/dbraw/zinc/44/65/98/375446598.db2.gz MMGPWBYWGHBZMQ-UHFFFAOYSA-N 2 1 276.424 2.749 50 0 CFAAMP CCn1ccc2cc(C[N@@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc21 ZINC000097346734 375550499 /nfs/dbraw/zinc/55/04/99/375550499.db2.gz NSWGTVZUYWXUPQ-WBVHZDCISA-N 2 1 283.419 2.845 50 0 CFAAMP CCn1ccc2cc(C[N@H+]3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc21 ZINC000097346734 375550500 /nfs/dbraw/zinc/55/05/00/375550500.db2.gz NSWGTVZUYWXUPQ-WBVHZDCISA-N 2 1 283.419 2.845 50 0 CFAAMP c1ccc(COCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420304358 382353620 /nfs/dbraw/zinc/35/36/20/382353620.db2.gz IRIACQOSOYSGPV-UHFFFAOYSA-N 2 1 288.435 2.669 50 0 CFAAMP CSCC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000252502171 383415431 /nfs/dbraw/zinc/41/54/31/383415431.db2.gz UNCOHYDPOGTJOP-UHFFFAOYSA-N 2 1 267.442 2.657 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000097016822 533658649 /nfs/dbraw/zinc/65/86/49/533658649.db2.gz GNTNSSWUMSNISO-BPQIPLTHSA-N 2 1 288.435 2.808 50 0 CFAAMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000097016822 533658655 /nfs/dbraw/zinc/65/86/55/533658655.db2.gz GNTNSSWUMSNISO-BPQIPLTHSA-N 2 1 288.435 2.808 50 0 CFAAMP NCC[NH2+]C[C@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287646 393483915 /nfs/dbraw/zinc/48/39/15/393483915.db2.gz LYESBOJVXBJVBZ-INIZCTEOSA-N 2 1 298.471 2.951 50 0 CFAAMP [NH3+]CC[NH2+]C[C@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287646 393483928 /nfs/dbraw/zinc/48/39/28/393483928.db2.gz LYESBOJVXBJVBZ-INIZCTEOSA-N 2 1 298.471 2.951 50 0 CFAAMP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044533720 175196972 /nfs/dbraw/zinc/19/69/72/175196972.db2.gz SXPCKPACECQRKL-OAHLLOKOSA-N 2 1 292.423 2.525 50 0 CFAAMP Cc1[nH]ncc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000071828196 176272475 /nfs/dbraw/zinc/27/24/75/176272475.db2.gz VZSBFJWJWPIKMG-UHFFFAOYSA-N 2 1 298.434 2.720 50 0 CFAAMP CN(Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000003684240 626408589 /nfs/dbraw/zinc/40/85/89/626408589.db2.gz VGJPCNBWIXJCAM-UHFFFAOYSA-N 2 1 252.789 2.866 50 0 CFAAMP Cc1ccc(C[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)o1 ZINC000078758041 347273902 /nfs/dbraw/zinc/27/39/02/347273902.db2.gz NOKMTOBRPQSQIO-UHFFFAOYSA-N 2 1 299.418 2.630 50 0 CFAAMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000584896679 348730981 /nfs/dbraw/zinc/73/09/81/348730981.db2.gz RLKAZXJGDXDUTQ-UHFFFAOYSA-N 2 1 298.434 2.759 50 0 CFAAMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(O)c2)CC1 ZINC000092165793 180336296 /nfs/dbraw/zinc/33/62/96/180336296.db2.gz OSRVTFRALUDGBG-UHFFFAOYSA-N 2 1 262.397 2.698 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC000092165793 180336297 /nfs/dbraw/zinc/33/62/97/180336297.db2.gz OSRVTFRALUDGBG-UHFFFAOYSA-N 2 1 262.397 2.698 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424570 372026457 /nfs/dbraw/zinc/02/64/57/372026457.db2.gz GDGJJJMFINQFHI-WOSRLPQWSA-N 2 1 262.397 2.514 50 0 CFAAMP C[N@@H+](CC1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000019335601 372156525 /nfs/dbraw/zinc/15/65/25/372156525.db2.gz MTLCWBLYMUQPMJ-UHFFFAOYSA-N 2 1 292.423 2.602 50 0 CFAAMP CN1CCC([N@@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000020869139 372239399 /nfs/dbraw/zinc/23/93/99/372239399.db2.gz QBUJSXWARQVSTN-OAHLLOKOSA-N 2 1 272.436 2.818 50 0 CFAAMP C[N@H+](C[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000020869139 372239410 /nfs/dbraw/zinc/23/94/10/372239410.db2.gz QBUJSXWARQVSTN-OAHLLOKOSA-N 2 1 272.436 2.818 50 0 CFAAMP C[N@@H+](C[C@@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000020869139 372239417 /nfs/dbraw/zinc/23/94/17/372239417.db2.gz QBUJSXWARQVSTN-OAHLLOKOSA-N 2 1 272.436 2.818 50 0 CFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000036907735 372610033 /nfs/dbraw/zinc/61/00/33/372610033.db2.gz WFPZAPNLWPQIOM-IOASZLSFSA-N 2 1 264.388 2.687 50 0 CFAAMP Cc1nc(C[NH2+][C@@H](C)CCn2cc[nH+]c2C)cs1 ZINC000067740142 373997293 /nfs/dbraw/zinc/99/72/93/373997293.db2.gz KMVXMMZNQFQQIT-JTQLQIEISA-N 2 1 264.398 2.525 50 0 CFAAMP CC(C)[NH2+]C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000072606088 374268988 /nfs/dbraw/zinc/26/89/88/374268988.db2.gz CINWOBZPQHPAHH-UHFFFAOYSA-N 2 1 288.435 2.626 50 0 CFAAMP CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(OCC)c1C ZINC000097173314 375536791 /nfs/dbraw/zinc/53/67/91/375536791.db2.gz KQUVATHEJXTBAS-CQSZACIVSA-N 2 1 292.423 2.573 50 0 CFAAMP CCOc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)c(OCC)c1C ZINC000097173314 375536799 /nfs/dbraw/zinc/53/67/99/375536799.db2.gz KQUVATHEJXTBAS-CQSZACIVSA-N 2 1 292.423 2.573 50 0 CFAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097413393 375558616 /nfs/dbraw/zinc/55/86/16/375558616.db2.gz OGLQAFXYTBODCH-GFCCVEGCSA-N 2 1 288.313 2.898 50 0 CFAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655503 375575262 /nfs/dbraw/zinc/57/52/62/375575262.db2.gz XVISUGFYYLUPHG-QGZVFWFLSA-N 2 1 298.434 2.788 50 0 CFAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097655504 375575356 /nfs/dbraw/zinc/57/53/56/375575356.db2.gz XVISUGFYYLUPHG-KRWDZBQOSA-N 2 1 298.434 2.788 50 0 CFAAMP CC[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170637851 379133575 /nfs/dbraw/zinc/13/35/75/379133575.db2.gz TUSXVMKYEJGDTC-KFWWJZLASA-N 2 1 268.445 2.606 50 0 CFAAMP C[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCS1 ZINC000390835074 382619664 /nfs/dbraw/zinc/61/96/64/382619664.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCS1 ZINC000390835074 382619667 /nfs/dbraw/zinc/61/96/67/382619667.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 2 1 256.459 2.688 50 0 CFAAMP C[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CCS1 ZINC000390835074 382619669 /nfs/dbraw/zinc/61/96/69/382619669.db2.gz CCDQOCXZUHTZMX-KBPBESRZSA-N 2 1 256.459 2.688 50 0 CFAAMP CSc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000214980363 382777388 /nfs/dbraw/zinc/77/73/88/382777388.db2.gz OEUQSXZFHIWQDL-ZDUSSCGKSA-N 2 1 276.449 2.766 50 0 CFAAMP CSc1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000214980363 382777389 /nfs/dbraw/zinc/77/73/89/382777389.db2.gz OEUQSXZFHIWQDL-ZDUSSCGKSA-N 2 1 276.449 2.766 50 0 CFAAMP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781409 /nfs/dbraw/zinc/78/14/09/382781409.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 2 1 271.408 2.942 50 0 CFAAMP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781410 /nfs/dbraw/zinc/78/14/10/382781410.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 2 1 271.408 2.942 50 0 CFAAMP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893872 382781411 /nfs/dbraw/zinc/78/14/11/382781411.db2.gz QAOAHNSIJLNRCB-AWEZNQCLSA-N 2 1 271.408 2.942 50 0 CFAAMP COc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080022 383603667 /nfs/dbraw/zinc/60/36/67/383603667.db2.gz DWNVAXBSOPDZRY-QWRGUYRKSA-N 2 1 268.788 2.518 50 0 CFAAMP COc1ccc(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080022 383603669 /nfs/dbraw/zinc/60/36/69/383603669.db2.gz DWNVAXBSOPDZRY-QWRGUYRKSA-N 2 1 268.788 2.518 50 0 CFAAMP c1ccc(N2CC[C@H](Nc3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000270562994 385147013 /nfs/dbraw/zinc/14/70/13/385147013.db2.gz KGMJTUYAKWUMRU-LBPRGKRZSA-N 2 1 279.347 2.649 50 0 CFAAMP Cc1cccc(NC2=[NH+]C3(CCCCC3)NC(=[NH2+])N2)c1C ZINC000006549719 393464097 /nfs/dbraw/zinc/46/40/97/393464097.db2.gz XFMAXWPDQDAEIZ-UHFFFAOYSA-N 2 1 285.395 2.650 50 0 CFAAMP NCC[NH2+]C[C@@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287643 393483956 /nfs/dbraw/zinc/48/39/56/393483956.db2.gz LYESBOJVXBJVBZ-MRXNPFEDSA-N 2 1 298.471 2.951 50 0 CFAAMP [NH3+]CC[NH2+]C[C@@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287643 393483963 /nfs/dbraw/zinc/48/39/63/393483963.db2.gz LYESBOJVXBJVBZ-MRXNPFEDSA-N 2 1 298.471 2.951 50 0 CFAAMP [NH3+]C[C@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC000426401869 393888540 /nfs/dbraw/zinc/88/85/40/393888540.db2.gz MCCHRWKZGQHPML-CQSZACIVSA-N 2 1 258.409 2.605 50 0 CFAAMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000248869196 287219731 /nfs/dbraw/zinc/21/97/31/287219731.db2.gz ZJROJJVTXSZWPC-UMVBOHGHSA-N 2 1 250.430 2.885 50 0 CFAAMP Cc1ncsc1C[N@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072153565 176328106 /nfs/dbraw/zinc/32/81/06/176328106.db2.gz AYIVOPFROLYKGN-ZDUSSCGKSA-N 2 1 267.442 2.758 50 0 CFAAMP Cc1ncsc1C[N@@H+]1CCCC[C@H]1CC[NH+](C)C ZINC000072153565 176328107 /nfs/dbraw/zinc/32/81/07/176328107.db2.gz AYIVOPFROLYKGN-ZDUSSCGKSA-N 2 1 267.442 2.758 50 0 CFAAMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC000097146603 287789242 /nfs/dbraw/zinc/78/92/42/287789242.db2.gz VPWWILHCIIOHIF-ILXRZTDVSA-N 2 1 268.445 2.512 50 0 CFAAMP c1ccc(CCCC[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534675289 328356027 /nfs/dbraw/zinc/35/60/27/328356027.db2.gz CJNPKWAUXLSRPG-USTZCAOPSA-N 2 1 270.420 2.692 50 0 CFAAMP COc1ccccc1C[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000002498203 618172579 /nfs/dbraw/zinc/17/25/79/618172579.db2.gz XTNDQECBOQUYKJ-GDBMZVCRSA-N 2 1 276.424 2.700 50 0 CFAAMP COc1ccccc1/C=C/C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067947911 624967207 /nfs/dbraw/zinc/96/72/07/624967207.db2.gz JDDFLVFFTPYFNQ-GQCTYLIASA-N 2 1 286.419 2.784 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1F ZINC000095969051 185047557 /nfs/dbraw/zinc/04/75/57/185047557.db2.gz GANPCTVYBJTDBX-BXUZGUMPSA-N 2 1 289.354 2.759 50 0 CFAAMP c1ccc(C[NH+](Cc2ccccc2)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000100059515 185703709 /nfs/dbraw/zinc/70/37/09/185703709.db2.gz KDGSINLHKLATBU-BWTSREIZSA-N 2 1 278.399 2.907 50 0 CFAAMP Clc1ccccc1OCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245281184 348251635 /nfs/dbraw/zinc/25/16/35/348251635.db2.gz ABTYTCCTLAHUKK-KGLIPLIRSA-N 2 1 294.826 2.935 50 0 CFAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584891861 348729011 /nfs/dbraw/zinc/72/90/11/348729011.db2.gz GTKUOFMILGOLNG-CYBMUJFWSA-N 2 1 272.396 2.772 50 0 CFAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCCO)C1 ZINC000106853299 186141983 /nfs/dbraw/zinc/14/19/83/186141983.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000106853299 186141985 /nfs/dbraw/zinc/14/19/85/186141985.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCCO)C1 ZINC000106853299 186141987 /nfs/dbraw/zinc/14/19/87/186141987.db2.gz OFYHBCULHPANFM-IRXDYDNUSA-N 2 1 282.472 2.735 50 0 CFAAMP CCc1[nH+]c2c(c(C)c(C)n2CC[NH+](C)C)c(N)c1C ZINC000012407395 371961222 /nfs/dbraw/zinc/96/12/22/371961222.db2.gz OCJOJBPBFDAASQ-UHFFFAOYSA-N 2 1 274.412 2.668 50 0 CFAAMP CC(C)(C)c1cc(Cl)ccc1OCCC[NH2+]CC[NH3+] ZINC000020118581 372233019 /nfs/dbraw/zinc/23/30/19/372233019.db2.gz PFPMWHTUZAPYDW-UHFFFAOYSA-N 2 1 284.831 2.955 50 0 CFAAMP CCCc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(C)[nH+]1 ZINC000065398455 373866434 /nfs/dbraw/zinc/86/64/34/373866434.db2.gz RQGPZMNCTNGHLC-OAHLLOKOSA-N 2 1 294.468 2.587 50 0 CFAAMP C/C(=C\c1ccco1)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067674964 373989883 /nfs/dbraw/zinc/98/98/83/373989883.db2.gz BXOYCRAQIMQUTH-HFQYIWAZSA-N 2 1 260.381 2.758 50 0 CFAAMP C/C(=C\c1ccco1)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067674964 373989889 /nfs/dbraw/zinc/98/98/89/373989889.db2.gz BXOYCRAQIMQUTH-HFQYIWAZSA-N 2 1 260.381 2.758 50 0 CFAAMP Cc1c[nH+]ccc1NCCNC1CC[NH+](CC(C)C)CC1 ZINC000067713640 373994015 /nfs/dbraw/zinc/99/40/15/373994015.db2.gz MFYJWHIZRXXQDA-UHFFFAOYSA-N 2 1 290.455 2.512 50 0 CFAAMP Cc1cccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)[nH+]1 ZINC000157995050 378662658 /nfs/dbraw/zinc/66/26/58/378662658.db2.gz HOWORNQVRLHNIS-TZMCWYRMSA-N 2 1 256.353 2.674 50 0 CFAAMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347102616 380940150 /nfs/dbraw/zinc/94/01/50/380940150.db2.gz MQMBROOVKUVJHF-GFCCVEGCSA-N 2 1 258.365 2.776 50 0 CFAAMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194018648 382733255 /nfs/dbraw/zinc/73/32/55/382733255.db2.gz HRFBMPZCSBIENV-ZJIFWQFVSA-N 2 1 280.456 2.654 50 0 CFAAMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194018648 382733258 /nfs/dbraw/zinc/73/32/58/382733258.db2.gz HRFBMPZCSBIENV-ZJIFWQFVSA-N 2 1 280.456 2.654 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000215837223 382780942 /nfs/dbraw/zinc/78/09/42/382780942.db2.gz AGEXNNVHENSWQQ-AWEZNQCLSA-N 2 1 257.381 2.927 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000215837223 382780943 /nfs/dbraw/zinc/78/09/43/382780943.db2.gz AGEXNNVHENSWQQ-AWEZNQCLSA-N 2 1 257.381 2.927 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C12CCCC2 ZINC000222113460 382800824 /nfs/dbraw/zinc/80/08/24/382800824.db2.gz UWXAJPDRJCFLFO-XUWVNRHRSA-N 2 1 280.456 2.797 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C12CCCC2 ZINC000222113460 382800825 /nfs/dbraw/zinc/80/08/25/382800825.db2.gz UWXAJPDRJCFLFO-XUWVNRHRSA-N 2 1 280.456 2.797 50 0 CFAAMP CC1(C)CC([NH2+]Cc2cnc3ccccn23)CC(C)(C)[NH2+]1 ZINC000236738921 382912175 /nfs/dbraw/zinc/91/21/75/382912175.db2.gz VFLUCIPLTGRZQC-UHFFFAOYSA-N 2 1 286.423 2.733 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C12CCCC2 ZINC000241969512 382985058 /nfs/dbraw/zinc/98/50/58/382985058.db2.gz UWXAJPDRJCFLFO-FXUDXRNXSA-N 2 1 280.456 2.797 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C12CCCC2 ZINC000241969512 382985060 /nfs/dbraw/zinc/98/50/60/382985060.db2.gz UWXAJPDRJCFLFO-FXUDXRNXSA-N 2 1 280.456 2.797 50 0 CFAAMP Cc1csc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)n1 ZINC000244899755 382995481 /nfs/dbraw/zinc/99/54/81/382995481.db2.gz ZPNZJWYICZQQEJ-UHFFFAOYSA-N 2 1 279.453 2.807 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCC2 ZINC000247950020 383202338 /nfs/dbraw/zinc/20/23/38/383202338.db2.gz DXSRRUVTCJPAEB-YHUYYLMFSA-N 2 1 280.456 2.654 50 0 CFAAMP Clc1ccc(N2CCC([N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC000426404206 383398823 /nfs/dbraw/zinc/39/88/23/383398823.db2.gz HRKDZPKGTCBIJO-UHFFFAOYSA-N 2 1 293.842 2.604 50 0 CFAAMP COc1cccc(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000426531783 383404160 /nfs/dbraw/zinc/40/41/60/383404160.db2.gz PJHLXKZDSWXBEV-UHFFFAOYSA-N 2 1 292.398 2.800 50 0 CFAAMP C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000252802296 383435947 /nfs/dbraw/zinc/43/59/47/383435947.db2.gz LBUXPBUYIHWUKQ-RHSMWYFYSA-N 2 1 297.402 2.901 50 0 CFAAMP Cc1nc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1 ZINC000007736229 170299628 /nfs/dbraw/zinc/29/96/28/170299628.db2.gz GRAMFZWXLPTEDT-UHFFFAOYSA-N 2 1 275.421 2.803 50 0 CFAAMP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000071842075 176274963 /nfs/dbraw/zinc/27/49/63/176274963.db2.gz PWEPCOWSQCLVOL-UHFFFAOYSA-N 2 1 290.455 2.771 50 0 CFAAMP c1cc(N2CCC[N@H+](C3CCCCC3)CC2)cc[nH+]1 ZINC000077470994 177272631 /nfs/dbraw/zinc/27/26/31/177272631.db2.gz SWXWVQHOISKGST-UHFFFAOYSA-N 2 1 259.397 2.926 50 0 CFAAMP CC(C)C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000090854041 277399063 /nfs/dbraw/zinc/39/90/63/277399063.db2.gz UCXJCNYHDPZORX-HOCLYGCPSA-N 2 1 268.445 2.512 50 0 CFAAMP CC(C)C[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000090854041 277399065 /nfs/dbraw/zinc/39/90/65/277399065.db2.gz UCXJCNYHDPZORX-HOCLYGCPSA-N 2 1 268.445 2.512 50 0 CFAAMP c1ccc(OCCCC[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000534636963 328334102 /nfs/dbraw/zinc/33/41/02/328334102.db2.gz PADUVQISQAYGEG-USTZCAOPSA-N 2 1 286.419 2.528 50 0 CFAAMP Cn1cccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000161845483 527397505 /nfs/dbraw/zinc/39/75/05/527397505.db2.gz WMIAOMOGKBPDLU-UHFFFAOYSA-N 2 1 275.440 2.769 50 0 CFAAMP CCc1[nH]c(CN(C)CC[C@H](C)[NH+]2CCCC2)c(C)[nH+]1 ZINC000952968483 615736352 /nfs/dbraw/zinc/73/63/52/615736352.db2.gz JYDBNRSGZIUENF-ZDUSSCGKSA-N 2 1 278.444 2.587 50 0 CFAAMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000888098687 619132415 /nfs/dbraw/zinc/13/24/15/619132415.db2.gz OSABVPDHWXXYOI-QXMXGUDHSA-N 2 1 277.437 2.699 50 0 CFAAMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000888098687 619132416 /nfs/dbraw/zinc/13/24/16/619132416.db2.gz OSABVPDHWXXYOI-QXMXGUDHSA-N 2 1 277.437 2.699 50 0 CFAAMP Cc1ncsc1C[NH2+][C@@H]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000888099150 619132978 /nfs/dbraw/zinc/13/29/78/619132978.db2.gz WOOOKXWIHIFNHG-NWDGAFQWSA-N 2 1 276.409 2.611 50 0 CFAAMP CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000822307007 781897486 /nfs/dbraw/zinc/89/74/86/781897486.db2.gz HQKNRJAXZCIUPG-INIZCTEOSA-N 2 1 280.456 2.611 50 0 CFAAMP C[NH+]1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000000757578 530050432 /nfs/dbraw/zinc/05/04/32/530050432.db2.gz QREDUTUHUHXYAO-UHFFFAOYSA-N 2 1 252.789 2.566 50 0 CFAAMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000097373210 347708378 /nfs/dbraw/zinc/70/83/78/347708378.db2.gz TZXCUUSMWXWNFY-KFWWJZLASA-N 2 1 268.445 2.512 50 0 CFAAMP NC(=[NH2+])NC(=[NH2+])Nc1ccccc1Sc1ccccc1 ZINC000575602410 348670319 /nfs/dbraw/zinc/67/03/19/348670319.db2.gz JWGVJZJELFNVIA-UHFFFAOYSA-N 2 1 285.376 2.668 50 0 CFAAMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000000757851 371648616 /nfs/dbraw/zinc/64/86/16/371648616.db2.gz FVZSWYBJWJQBOE-INIZCTEOSA-N 2 1 276.449 2.746 50 0 CFAAMP CC[C@H](C)c1ccccc1OCCC[NH2+]CC[NH3+] ZINC000020118670 372232791 /nfs/dbraw/zinc/23/27/91/372232791.db2.gz GGBSNMSACQWJFC-ZDUSSCGKSA-N 2 1 250.386 2.517 50 0 CFAAMP C[N@@H+](CCCOc1ccccc1C[NH3+])C1CCCC1 ZINC000037083942 372646663 /nfs/dbraw/zinc/64/66/63/372646663.db2.gz CMKHUSMKCLWWCY-UHFFFAOYSA-N 2 1 262.397 2.789 50 0 CFAAMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000037644238 372680809 /nfs/dbraw/zinc/68/08/09/372680809.db2.gz LKLLGNPVOCCTPT-HNNXBMFYSA-N 2 1 292.423 2.525 50 0 CFAAMP CC[C@H](c1cccnc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000065497440 373879131 /nfs/dbraw/zinc/87/91/31/373879131.db2.gz PACKGWOANMLRMC-MRXNPFEDSA-N 2 1 261.413 2.949 50 0 CFAAMP CC[C@H](c1cccnc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000065497440 373879139 /nfs/dbraw/zinc/87/91/39/373879139.db2.gz PACKGWOANMLRMC-MRXNPFEDSA-N 2 1 261.413 2.949 50 0 CFAAMP Oc1cccc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc12 ZINC000067650430 373987951 /nfs/dbraw/zinc/98/79/51/373987951.db2.gz LFTQQEYHHOJYEW-UHFFFAOYSA-N 2 1 297.402 2.516 50 0 CFAAMP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000095466740 375458679 /nfs/dbraw/zinc/45/86/79/375458679.db2.gz BOBPORJLRLGBGL-ROUUACIJSA-N 2 1 272.436 2.818 50 0 CFAAMP CCc1ccc(CC[NH+]2CC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000095466740 375458684 /nfs/dbraw/zinc/45/86/84/375458684.db2.gz BOBPORJLRLGBGL-ROUUACIJSA-N 2 1 272.436 2.818 50 0 CFAAMP CCc1ccc(CC[NH+]2CC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000095466740 375458689 /nfs/dbraw/zinc/45/86/89/375458689.db2.gz BOBPORJLRLGBGL-ROUUACIJSA-N 2 1 272.436 2.818 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C12CCC2 ZINC000095968526 375464763 /nfs/dbraw/zinc/46/47/63/375464763.db2.gz AWTPMGAGJUTLCY-ARKGTOAJSA-N 2 1 280.456 2.652 50 0 CFAAMP CC[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299791956 382049026 /nfs/dbraw/zinc/04/90/26/382049026.db2.gz DHXQVEKZFBCZBG-UHFFFAOYSA-N 2 1 297.402 2.586 50 0 CFAAMP CC[C@H]1C=CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000215704909 382780492 /nfs/dbraw/zinc/78/04/92/382780492.db2.gz XXCIXSTVHSDRRG-INIZCTEOSA-N 2 1 274.408 2.777 50 0 CFAAMP [NH3+]C[C@@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC000426401868 383398195 /nfs/dbraw/zinc/39/81/95/383398195.db2.gz MCCHRWKZGQHPML-AWEZNQCLSA-N 2 1 258.409 2.605 50 0 CFAAMP c1ccc(N2CC[C@@H]([N@H+]3CCCC4(CC[NH2+]CC4)C3)C2)cc1 ZINC000426473366 383401651 /nfs/dbraw/zinc/40/16/51/383401651.db2.gz DMNMQCLATUTFSL-GOSISDBHSA-N 2 1 299.462 2.731 50 0 CFAAMP CC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252512281 383416846 /nfs/dbraw/zinc/41/68/46/383416846.db2.gz OTECVMHJLUSALA-NXHRZFHOSA-N 2 1 290.451 2.912 50 0 CFAAMP CC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252512281 383416851 /nfs/dbraw/zinc/41/68/51/383416851.db2.gz OTECVMHJLUSALA-NXHRZFHOSA-N 2 1 290.451 2.912 50 0 CFAAMP Fc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080959208 393728983 /nfs/dbraw/zinc/72/89/83/393728983.db2.gz YFZXRQCAYFYJIV-CYBMUJFWSA-N 2 1 259.328 2.928 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000071841235 176275039 /nfs/dbraw/zinc/27/50/39/176275039.db2.gz PQYQNONSABDTGF-UHFFFAOYSA-N 2 1 290.455 2.852 50 0 CFAAMP CC(C)[NH+]1CCC(C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000828630074 782098360 /nfs/dbraw/zinc/09/83/60/782098360.db2.gz TZAMVGUAAMYIEA-INIZCTEOSA-N 2 1 282.472 2.590 50 0 CFAAMP COc1ccc(C[N@H+](C)CCCc2[nH+]ccn2C)c(F)c1 ZINC000215051525 524004367 /nfs/dbraw/zinc/00/43/67/524004367.db2.gz YVILPVLAHDBRPW-UHFFFAOYSA-N 2 1 291.370 2.632 50 0 CFAAMP COc1ccc(C[N@@H+](C)CCCc2[nH+]ccn2C)c(F)c1 ZINC000215051525 524004373 /nfs/dbraw/zinc/00/43/73/524004373.db2.gz YVILPVLAHDBRPW-UHFFFAOYSA-N 2 1 291.370 2.632 50 0 CFAAMP Cc1cc(C[C@@H](C)[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n[nH]1 ZINC000067982564 524827615 /nfs/dbraw/zinc/82/76/15/524827615.db2.gz WGCMKLKUMVAVMA-CYBMUJFWSA-N 2 1 290.455 2.551 50 0 CFAAMP Cc1ccsc1C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063845020 781561768 /nfs/dbraw/zinc/56/17/68/781561768.db2.gz HHYKZGIFDVXNSW-HZPDHXFCSA-N 2 1 294.464 2.526 50 0 CFAAMP Cc1ccsc1C[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063845020 781561775 /nfs/dbraw/zinc/56/17/75/781561775.db2.gz HHYKZGIFDVXNSW-HZPDHXFCSA-N 2 1 294.464 2.526 50 0 CFAAMP CC1(C)CC(Cc2ncnn2-c2cc[nH+]cc2)CC(C)(C)[NH2+]1 ZINC000822293576 781897049 /nfs/dbraw/zinc/89/70/49/781897049.db2.gz QDWWJJCDWKPYKX-UHFFFAOYSA-N 2 1 299.422 2.762 50 0 CFAAMP CC(C)C[N@H+]1CCC[C@H]1CNC1CC[NH+](C(C)C)CC1 ZINC000195557909 348146067 /nfs/dbraw/zinc/14/60/67/348146067.db2.gz BMZMWDWDSCTIKO-KRWDZBQOSA-N 2 1 281.488 2.569 50 0 CFAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584891862 348729113 /nfs/dbraw/zinc/72/91/13/348729113.db2.gz GTKUOFMILGOLNG-ZDUSSCGKSA-N 2 1 272.396 2.772 50 0 CFAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000823557363 781934365 /nfs/dbraw/zinc/93/43/65/781934365.db2.gz NHMZBRBERBUKGA-CQSZACIVSA-N 2 1 272.396 2.636 50 0 CFAAMP Cc1ncsc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000670461839 541004291 /nfs/dbraw/zinc/00/42/91/541004291.db2.gz KBIHQTZPWGBSJJ-CQSZACIVSA-N 2 1 290.436 2.869 50 0 CFAAMP Cc1ncsc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000670461839 541004294 /nfs/dbraw/zinc/00/42/94/541004294.db2.gz KBIHQTZPWGBSJJ-CQSZACIVSA-N 2 1 290.436 2.869 50 0 CFAAMP Cc1ncsc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000670461833 541004401 /nfs/dbraw/zinc/00/44/01/541004401.db2.gz KBIHQTZPWGBSJJ-AWEZNQCLSA-N 2 1 290.436 2.869 50 0 CFAAMP Cc1ncsc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000670461833 541004404 /nfs/dbraw/zinc/00/44/04/541004404.db2.gz KBIHQTZPWGBSJJ-AWEZNQCLSA-N 2 1 290.436 2.869 50 0 CFAAMP CC[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000000276969 371576754 /nfs/dbraw/zinc/57/67/54/371576754.db2.gz KAGHRADOFBDWMM-UHFFFAOYSA-N 2 1 262.441 2.885 50 0 CFAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000065512357 373882518 /nfs/dbraw/zinc/88/25/18/373882518.db2.gz WEUHTPRKJWJTJB-MRXNPFEDSA-N 2 1 282.391 2.719 50 0 CFAAMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000065512357 373882529 /nfs/dbraw/zinc/88/25/29/373882529.db2.gz WEUHTPRKJWJTJB-MRXNPFEDSA-N 2 1 282.391 2.719 50 0 CFAAMP Cn1ncc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469527 374255463 /nfs/dbraw/zinc/25/54/63/374255463.db2.gz IEMQUNOPRICKRA-MRXNPFEDSA-N 2 1 290.455 2.604 50 0 CFAAMP Cn1ncc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469527 374255471 /nfs/dbraw/zinc/25/54/71/374255471.db2.gz IEMQUNOPRICKRA-MRXNPFEDSA-N 2 1 290.455 2.604 50 0 CFAAMP C[N@H+](Cc1cnc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072478762 374256262 /nfs/dbraw/zinc/25/62/62/374256262.db2.gz GHEBTPJFPNDNLV-UHFFFAOYSA-N 2 1 298.434 2.754 50 0 CFAAMP C[N@@H+](Cc1c[nH]cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072478762 374256267 /nfs/dbraw/zinc/25/62/67/374256267.db2.gz GHEBTPJFPNDNLV-UHFFFAOYSA-N 2 1 298.434 2.754 50 0 CFAAMP C[N@H+](Cc1c[nH]cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072478762 374256271 /nfs/dbraw/zinc/25/62/71/374256271.db2.gz GHEBTPJFPNDNLV-UHFFFAOYSA-N 2 1 298.434 2.754 50 0 CFAAMP Cc1nc(C)c([C@H](C)[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000094010671 375335276 /nfs/dbraw/zinc/33/52/76/375335276.db2.gz XANKFCVWAYKDPR-NSHDSACASA-N 2 1 267.442 2.752 50 0 CFAAMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1SC ZINC000097228997 375542389 /nfs/dbraw/zinc/54/23/89/375542389.db2.gz FRBWSYJJPFDJAU-AWEZNQCLSA-N 2 1 294.464 2.849 50 0 CFAAMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000097095601 375516722 /nfs/dbraw/zinc/51/67/22/375516722.db2.gz RMTOIAKLZVQARC-CZUORRHYSA-N 2 1 284.407 2.554 50 0 CFAAMP CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781317 /nfs/dbraw/zinc/78/13/17/382781317.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 2 1 271.408 2.942 50 0 CFAAMP CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781318 /nfs/dbraw/zinc/78/13/18/382781318.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 2 1 271.408 2.942 50 0 CFAAMP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)C1 ZINC000215893837 382781319 /nfs/dbraw/zinc/78/13/19/382781319.db2.gz QAOAHNSIJLNRCB-CQSZACIVSA-N 2 1 271.408 2.942 50 0 CFAAMP COc1ccc(CC[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC000426509186 383403243 /nfs/dbraw/zinc/40/32/43/383403243.db2.gz ADLANHYAURTMHM-SCNOPHJPSA-N 2 1 288.435 2.685 50 0 CFAAMP CC(C)=CC[NH+]1CCC(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000095968976 393814873 /nfs/dbraw/zinc/81/48/73/393814873.db2.gz OHKPOXLHGKWAGQ-QZTJIDSGSA-N 2 1 293.499 2.879 50 0 CFAAMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252510635 393936872 /nfs/dbraw/zinc/93/68/72/393936872.db2.gz AZAGKHNKHOSHAZ-SJORKVTESA-N 2 1 287.451 2.859 50 0 CFAAMP Cc1c(C)n(CC[NH+](C)C)c2[nH+]c3c(c(N)c12)CCCC3 ZINC000012388957 274660755 /nfs/dbraw/zinc/66/07/55/274660755.db2.gz LGINVAKBQNGPGH-UHFFFAOYSA-N 2 1 286.423 2.676 50 0 CFAAMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000152582358 323627254 /nfs/dbraw/zinc/62/72/54/323627254.db2.gz JQXGZUNGYXCGGB-JKSUJKDBSA-N 2 1 280.456 2.679 50 0 CFAAMP Cc1cccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000095967719 185046183 /nfs/dbraw/zinc/04/61/83/185046183.db2.gz WPRLLMAFGUTIEJ-QGZVFWFLSA-N 2 1 289.467 2.673 50 0 CFAAMP c1ccc(CCC[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729022 178245715 /nfs/dbraw/zinc/24/57/15/178245715.db2.gz NMHGTASCHLGLDR-SJORKVTESA-N 2 1 258.409 2.693 50 0 CFAAMP COc1cccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245289720 348251692 /nfs/dbraw/zinc/25/16/92/348251692.db2.gz DQHPUMSWRXQKSJ-SJORKVTESA-N 2 1 288.435 2.844 50 0 CFAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000409421095 348600729 /nfs/dbraw/zinc/60/07/29/348600729.db2.gz HIYRTICAPBLHOZ-INIZCTEOSA-N 2 1 282.391 2.911 50 0 CFAAMP Cc1csc(C[NH2+][C@@H](C)CCn2cc[nH+]c2C)n1 ZINC000584888369 348728516 /nfs/dbraw/zinc/72/85/16/348728516.db2.gz FJCZXHOYXKWXRM-JTQLQIEISA-N 2 1 264.398 2.525 50 0 CFAAMP Clc1ccccc1OCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090772481 180037633 /nfs/dbraw/zinc/03/76/33/180037633.db2.gz ABTYTCCTLAHUKK-UONOGXRCSA-N 2 1 294.826 2.935 50 0 CFAAMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC000670444622 540996817 /nfs/dbraw/zinc/99/68/17/540996817.db2.gz YIFGLADUVQFTKJ-LBPRGKRZSA-N 2 1 287.329 2.853 50 0 CFAAMP CCC[NH+]1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000000217692 371560594 /nfs/dbraw/zinc/56/05/94/371560594.db2.gz ABEBLKYZQXUPCF-UHFFFAOYSA-N 2 1 250.361 2.790 50 0 CFAAMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000000802058 371650982 /nfs/dbraw/zinc/65/09/82/371650982.db2.gz STSCZGKZJLZTPR-ZDUSSCGKSA-N 2 1 262.397 2.830 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424572 372026050 /nfs/dbraw/zinc/02/60/50/372026050.db2.gz GDGJJJMFINQFHI-HEHGZKQESA-N 2 1 262.397 2.514 50 0 CFAAMP C[C@@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013510387 372030584 /nfs/dbraw/zinc/03/05/84/372030584.db2.gz RYJLDVIZDHEQLN-ZMSDIMECSA-N 2 1 260.425 2.924 50 0 CFAAMP CCCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000065425419 373870710 /nfs/dbraw/zinc/87/07/10/373870710.db2.gz YKNAQGLNTWSJRT-UHFFFAOYSA-N 2 1 285.391 2.949 50 0 CFAAMP c1ccc(C[N@H+]2CCC[NH2+]CCCSCCC2)cc1 ZINC000068604634 374033835 /nfs/dbraw/zinc/03/38/35/374033835.db2.gz CIWYKIVUODJLCF-UHFFFAOYSA-N 2 1 278.465 2.995 50 0 CFAAMP Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc[nH+]1 ZINC000095352173 375417941 /nfs/dbraw/zinc/41/79/41/375417941.db2.gz QFUNOGJVSNPFIW-UHFFFAOYSA-N 2 1 285.366 2.851 50 0 CFAAMP C[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000095419523 375439453 /nfs/dbraw/zinc/43/94/53/375439453.db2.gz JQZRKBSEVSMCOJ-INIZCTEOSA-N 2 1 276.449 2.701 50 0 CFAAMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000097288748 375548729 /nfs/dbraw/zinc/54/87/29/375548729.db2.gz ANBVXLCDTSKUTA-UHFFFAOYSA-N 2 1 280.362 2.883 50 0 CFAAMP CC[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170637853 379132497 /nfs/dbraw/zinc/13/24/97/379132497.db2.gz TUSXVMKYEJGDTC-SOUVJXGZSA-N 2 1 268.445 2.606 50 0 CFAAMP C[N@H+]1CCC[C@H]1CCOc1cccc(C[NH2+]C2CC2)c1 ZINC000299795599 382049972 /nfs/dbraw/zinc/04/99/72/382049972.db2.gz LLIHFGDVKDWWIN-INIZCTEOSA-N 2 1 274.408 2.802 50 0 CFAAMP Cc1ccc2ncccc2c1C[N@H+](C)CCC[NH+](C)C ZINC000219282647 382793398 /nfs/dbraw/zinc/79/33/98/382793398.db2.gz GCVIOZNEDRBVMF-UHFFFAOYSA-N 2 1 271.408 2.927 50 0 CFAAMP Cc1nccn1CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000216499041 382783420 /nfs/dbraw/zinc/78/34/20/382783420.db2.gz RGOOOPNJHTWIPB-UHFFFAOYSA-N 3 1 295.390 2.509 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000216499041 382783425 /nfs/dbraw/zinc/78/34/25/382783425.db2.gz RGOOOPNJHTWIPB-UHFFFAOYSA-N 2 1 295.390 2.509 50 0 CFAAMP CC1=CC[N@@H+](Cc2cc(C[NH+](C)C)cs2)CC1 ZINC000216413213 382783672 /nfs/dbraw/zinc/78/36/72/382783672.db2.gz XQIQQHGVWQIMFS-UHFFFAOYSA-N 2 1 250.411 2.962 50 0 CFAAMP CCOCCC[N@H+]1CC[C@H](Nc2ccccn2)[C@@H](C)C1 ZINC000229813500 382853346 /nfs/dbraw/zinc/85/33/46/382853346.db2.gz MZIUZDABHUDNKE-GJZGRUSLSA-N 2 1 277.412 2.631 50 0 CFAAMP CCS[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000241588373 382983711 /nfs/dbraw/zinc/98/37/11/382983711.db2.gz PCPAWUNGKCLTJV-LXTVHRRPSA-N 2 1 270.486 2.981 50 0 CFAAMP CN(CC[C@H]1CCC[N@H+]1C)Cc1n[nH]c2c1CCCCC2 ZINC000244773913 382991923 /nfs/dbraw/zinc/99/19/23/382991923.db2.gz PIQYMKFKWMTQQK-CQSZACIVSA-N 2 1 290.455 2.595 50 0 CFAAMP Cc1c[nH]c(CN(C)C[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000244795944 382993391 /nfs/dbraw/zinc/99/33/91/382993391.db2.gz RQEPJNOPWWPGQL-QGZVFWFLSA-N 2 1 298.434 2.815 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C12CCC2 ZINC000247136721 383146158 /nfs/dbraw/zinc/14/61/58/383146158.db2.gz AWTPMGAGJUTLCY-DGXTUMSLSA-N 2 1 280.456 2.652 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118627 383114923 /nfs/dbraw/zinc/11/49/23/383114923.db2.gz WCFJVJDFJXUAKJ-UKRRQHHQSA-N 2 1 271.408 2.751 50 0 CFAAMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118627 383114927 /nfs/dbraw/zinc/11/49/27/383114927.db2.gz WCFJVJDFJXUAKJ-UKRRQHHQSA-N 2 1 271.408 2.751 50 0 CFAAMP Cc1cc(C)cc(N2CCC([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000426544635 383405377 /nfs/dbraw/zinc/40/53/77/383405377.db2.gz CDXSGOGGILBGFT-QFBILLFUSA-N 2 1 299.462 2.566 50 0 CFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907738 393525184 /nfs/dbraw/zinc/52/51/84/393525184.db2.gz WFPZAPNLWPQIOM-DVOMOZLQSA-N 2 1 264.388 2.687 50 0 CFAAMP CC[C@H](C)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088504631 393762320 /nfs/dbraw/zinc/76/23/20/393762320.db2.gz QJZLPMYSRGDOBI-HRCADAONSA-N 2 1 282.472 2.854 50 0 CFAAMP FC(F)(F)CC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825679696 782014322 /nfs/dbraw/zinc/01/43/22/782014322.db2.gz HLAWWCBZCAPUBT-UHFFFAOYSA-N 2 1 264.335 2.795 50 0 CFAAMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000040601296 174351518 /nfs/dbraw/zinc/35/15/18/174351518.db2.gz PORYXGKEHZSMDO-CQSZACIVSA-N 2 1 269.392 2.666 50 0 CFAAMP Cc1ccccc1N1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000244735121 281346840 /nfs/dbraw/zinc/34/68/40/281346840.db2.gz NTEBIMNUANLZEA-KRWDZBQOSA-N 2 1 287.451 2.507 50 0 CFAAMP Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](CC[NH3+])C2)[nH+]1 ZINC000534645947 328331642 /nfs/dbraw/zinc/33/16/42/328331642.db2.gz QTTGVNZQUVIMSU-NSHDSACASA-N 2 1 287.329 2.974 50 0 CFAAMP CCOc1cc(C[NH2+]CCC[NH+](CC)CC)ccc1OC ZINC000002933139 500709321 /nfs/dbraw/zinc/70/93/21/500709321.db2.gz RRSWKRNZANSIDC-UHFFFAOYSA-N 2 1 294.439 2.915 50 0 CFAAMP CC(C)(c1ccccc1)c1ccc(OCC[NH2+]CC[NH3+])cc1 ZINC000020118551 618800005 /nfs/dbraw/zinc/80/00/05/618800005.db2.gz CGEIVLAZACIRNA-UHFFFAOYSA-N 2 1 298.430 2.940 50 0 CFAAMP COc1ccccc1C[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000004021838 619391416 /nfs/dbraw/zinc/39/14/16/619391416.db2.gz XTNDQECBOQUYKJ-HOCLYGCPSA-N 2 1 276.424 2.700 50 0 CFAAMP Cc1ccc(-c2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000216025603 645987258 /nfs/dbraw/zinc/98/72/58/645987258.db2.gz LXKSKCYEUICUFC-IYBDPMFKSA-N 2 1 282.387 2.906 50 0 CFAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584903628 348733550 /nfs/dbraw/zinc/73/35/50/348733550.db2.gz CXFKNJMXXFHARD-ZDUSSCGKSA-N 2 1 272.396 2.636 50 0 CFAAMP Cn1cncc1CN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000670460101 541002621 /nfs/dbraw/zinc/00/26/21/541002621.db2.gz HSZHMTPVJUPMHQ-UHFFFAOYSA-N 2 1 298.434 2.517 50 0 CFAAMP c1ccc(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000182050 371551251 /nfs/dbraw/zinc/55/12/51/371551251.db2.gz AAJHNYYYUDQXQQ-UHFFFAOYSA-N 2 1 258.409 2.789 50 0 CFAAMP C[NH+]1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000000220888 371560350 /nfs/dbraw/zinc/56/03/50/371560350.db2.gz KLQQBOCXNLMLEQ-UHFFFAOYSA-N 2 1 252.789 2.566 50 0 CFAAMP COc1ccc([C@]2(CC[NH3+])C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013118893 372015209 /nfs/dbraw/zinc/01/52/09/372015209.db2.gz QCPLMTXDUPTFBC-JJRVBVJISA-N 2 1 276.424 2.642 50 0 CFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000036907737 372609967 /nfs/dbraw/zinc/60/99/67/372609967.db2.gz WFPZAPNLWPQIOM-XJKCOSOUSA-N 2 1 264.388 2.687 50 0 CFAAMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000057755516 373610544 /nfs/dbraw/zinc/61/05/44/373610544.db2.gz PSWYABGKEQRYQM-UHFFFAOYSA-N 2 1 281.403 2.836 50 0 CFAAMP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000089689315 374938825 /nfs/dbraw/zinc/93/88/25/374938825.db2.gz QGBWPOXQNBJZAK-JKSUJKDBSA-N 2 1 272.436 3.000 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2C)c1 ZINC000097159357 375533619 /nfs/dbraw/zinc/53/36/19/375533619.db2.gz AWYSVJRJCRTAGO-UHFFFAOYSA-N 2 1 295.390 2.561 50 0 CFAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@@H]([NH3+])CC3)cc21 ZINC000097601117 375570910 /nfs/dbraw/zinc/57/09/10/375570910.db2.gz COXDYCUSSWKWDF-MRXNPFEDSA-N 2 1 271.408 2.974 50 0 CFAAMP C(=C/c1ccccc1)\C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000299787032 382048429 /nfs/dbraw/zinc/04/84/29/382048429.db2.gz YSVQYLYWFRDMAQ-QQQVMXRDSA-N 2 1 256.393 2.774 50 0 CFAAMP C(=C/c1ccccc1)\C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000299787032 382048436 /nfs/dbraw/zinc/04/84/36/382048436.db2.gz YSVQYLYWFRDMAQ-QQQVMXRDSA-N 2 1 256.393 2.774 50 0 CFAAMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC000192839120 382712860 /nfs/dbraw/zinc/71/28/60/382712860.db2.gz VABYZGQFEBVOEU-GOOCMWNKSA-N 2 1 292.398 2.939 50 0 CFAAMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000192839120 382712861 /nfs/dbraw/zinc/71/28/61/382712861.db2.gz VABYZGQFEBVOEU-GOOCMWNKSA-N 2 1 292.398 2.939 50 0 CFAAMP CCc1ccc(CC[N@H+]2CC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000230228719 382857737 /nfs/dbraw/zinc/85/77/37/382857737.db2.gz BOBPORJLRLGBGL-ZWKOTPCHSA-N 2 1 272.436 2.818 50 0 CFAAMP Cc1cc(C)n(CCC[NH+](C)C[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000244690846 382990104 /nfs/dbraw/zinc/99/01/04/382990104.db2.gz IXZOGUHGXSGMEM-KRWDZBQOSA-N 2 1 292.471 2.552 50 0 CFAAMP Cc1cc(C)n(CCC[N@@H+](C)C[C@@H]2CC[NH+](C(C)C)C2)n1 ZINC000244690846 382990106 /nfs/dbraw/zinc/99/01/06/382990106.db2.gz IXZOGUHGXSGMEM-KRWDZBQOSA-N 2 1 292.471 2.552 50 0 CFAAMP Cc1cc(C)n(CCC[N@H+](C)C[C@@H]2CC[NH+](C(C)C)C2)n1 ZINC000244690846 382990108 /nfs/dbraw/zinc/99/01/08/382990108.db2.gz IXZOGUHGXSGMEM-KRWDZBQOSA-N 2 1 292.471 2.552 50 0 CFAAMP Cc1cc([C@H]2CCC[N@H+]2CCCn2ccnc2C)on1 ZINC000244884343 382994567 /nfs/dbraw/zinc/99/45/67/382994567.db2.gz YKNBEWZRBFAGNG-CQSZACIVSA-N 2 1 274.368 2.715 50 0 CFAAMP Cc1cc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)on1 ZINC000244884343 382994570 /nfs/dbraw/zinc/99/45/70/382994570.db2.gz YKNBEWZRBFAGNG-CQSZACIVSA-N 2 1 274.368 2.715 50 0 CFAAMP C[NH+]1CCC2(CC1)C[N@H+](C1CCC1)Cc1ccccc1O2 ZINC000257183962 383491141 /nfs/dbraw/zinc/49/11/41/383491141.db2.gz IBRPWAXOQYSLDK-UHFFFAOYSA-N 2 1 286.419 2.898 50 0 CFAAMP CC(C)C[N@H+]1CC[C@H](CN(C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840493 /nfs/dbraw/zinc/84/04/93/393840493.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 2 1 292.471 2.874 50 0 CFAAMP C[N@@H+](C1CC[NH+](C2CCOCC2)CC1)[C@@H]1C=CCCC1 ZINC000066497761 543107203 /nfs/dbraw/zinc/10/72/03/543107203.db2.gz WLNODZHKLGETPP-OAHLLOKOSA-N 2 1 278.440 2.670 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)C12CCC2 ZINC000108324364 397598102 /nfs/dbraw/zinc/59/81/02/397598102.db2.gz DXSRRUVTCJPAEB-XUWVNRHRSA-N 2 1 280.456 2.654 50 0 CFAAMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000089657421 292337509 /nfs/dbraw/zinc/33/75/09/292337509.db2.gz CBUNHMTYCXFTJE-MRXNPFEDSA-N 2 1 274.408 2.893 50 0 CFAAMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000008377264 170333700 /nfs/dbraw/zinc/33/37/00/170333700.db2.gz SHOWIJHHMIWIFP-UHFFFAOYSA-N 2 1 284.403 2.965 50 0 CFAAMP CCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000037538984 173258431 /nfs/dbraw/zinc/25/84/31/173258431.db2.gz URNAVLIQFLHZMY-UHFFFAOYSA-N 2 1 250.361 2.790 50 0 CFAAMP CCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000037538984 173258433 /nfs/dbraw/zinc/25/84/33/173258433.db2.gz URNAVLIQFLHZMY-UHFFFAOYSA-N 2 1 250.361 2.790 50 0 CFAAMP CCc1nc(CC[NH2+][C@@H](C)CCn2cc[nH+]c2C)cs1 ZINC000534588828 328316801 /nfs/dbraw/zinc/31/68/01/328316801.db2.gz UJUYURIDVZQOSW-LBPRGKRZSA-N 2 1 292.452 2.821 50 0 CFAAMP CCSCC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000534669406 328346758 /nfs/dbraw/zinc/34/67/58/328346758.db2.gz PCECEYHLKJEMQQ-UHFFFAOYSA-N 2 1 256.459 2.595 50 0 CFAAMP Cc1cccc(Cl)c1OCC[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534661977 328350127 /nfs/dbraw/zinc/35/01/27/328350127.db2.gz COMBOSVDOBSZQN-AGGWBTHJSA-N 2 1 294.826 2.696 50 0 CFAAMP Cc1cccc(Cl)c1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534661977 328350128 /nfs/dbraw/zinc/35/01/28/328350128.db2.gz COMBOSVDOBSZQN-AGGWBTHJSA-N 2 1 294.826 2.696 50 0 CFAAMP CCc1[nH]c(CN(C)CC[C@@H](C)[NH+]2CCCC2)c(C)[nH+]1 ZINC000952968475 615736502 /nfs/dbraw/zinc/73/65/02/615736502.db2.gz JYDBNRSGZIUENF-CYBMUJFWSA-N 2 1 278.444 2.587 50 0 CFAAMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000863982608 637831502 /nfs/dbraw/zinc/83/15/02/637831502.db2.gz VMZCDLGOWUEWCM-ZDUSSCGKSA-N 2 1 276.424 2.659 50 0 CFAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC000015067946 651184847 /nfs/dbraw/zinc/18/48/47/651184847.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 2 1 280.456 2.611 50 0 CFAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC000015067946 651184849 /nfs/dbraw/zinc/18/48/49/651184849.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 2 1 280.456 2.611 50 0 CFAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC000015067946 651184855 /nfs/dbraw/zinc/18/48/55/651184855.db2.gz ZWGOEISOIYLHRQ-KRWDZBQOSA-N 2 1 280.456 2.611 50 0 CFAAMP CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000822307010 781896498 /nfs/dbraw/zinc/89/64/98/781896498.db2.gz HQKNRJAXZCIUPG-MRXNPFEDSA-N 2 1 280.456 2.611 50 0 CFAAMP Cn1ccc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC000097742956 230386827 /nfs/dbraw/zinc/38/68/27/230386827.db2.gz USVKVFWZUYYMRC-SFHVURJKSA-N 2 1 283.419 2.754 50 0 CFAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Cl)c2)C1 ZINC000086585491 179309875 /nfs/dbraw/zinc/30/98/75/179309875.db2.gz BDOJVAGKAPCIRE-CYBMUJFWSA-N 2 1 282.815 2.780 50 0 CFAAMP COC[C@H]1C[N@@H+](Cc2sccc2C)CC12CC[NH2+]CC2 ZINC000169789798 348052639 /nfs/dbraw/zinc/05/26/39/348052639.db2.gz YLVTXHXTCSIMNF-CQSZACIVSA-N 2 1 294.464 2.505 50 0 CFAAMP CC[C@@H](C)c1ccccc1OCCC[NH2+]CC[NH3+] ZINC000020118668 372231923 /nfs/dbraw/zinc/23/19/23/372231923.db2.gz GGBSNMSACQWJFC-CYBMUJFWSA-N 2 1 250.386 2.517 50 0 CFAAMP CN1CCC([N@@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000020869142 372239712 /nfs/dbraw/zinc/23/97/12/372239712.db2.gz QBUJSXWARQVSTN-HNNXBMFYSA-N 2 1 272.436 2.818 50 0 CFAAMP C[N@H+](C[C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000020869142 372239719 /nfs/dbraw/zinc/23/97/19/372239719.db2.gz QBUJSXWARQVSTN-HNNXBMFYSA-N 2 1 272.436 2.818 50 0 CFAAMP C[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000020869142 372239726 /nfs/dbraw/zinc/23/97/26/372239726.db2.gz QBUJSXWARQVSTN-HNNXBMFYSA-N 2 1 272.436 2.818 50 0 CFAAMP CC[N@@H+]1CCC[C@H](N2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511794 372441377 /nfs/dbraw/zinc/44/13/77/372441377.db2.gz SNKYYSOJPXDMBK-SFHVURJKSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[N@H+]1CCC[C@H](N2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511794 372441382 /nfs/dbraw/zinc/44/13/82/372441382.db2.gz SNKYYSOJPXDMBK-SFHVURJKSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[N@@H+]1CCC[C@@H](N2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511793 372441804 /nfs/dbraw/zinc/44/18/04/372441804.db2.gz SNKYYSOJPXDMBK-GOSISDBHSA-N 2 1 293.499 2.669 50 0 CFAAMP CC[N@H+]1CCC[C@@H](N2CCC(C[NH+]3CCCCC3)CC2)C1 ZINC000032511793 372441812 /nfs/dbraw/zinc/44/18/12/372441812.db2.gz SNKYYSOJPXDMBK-GOSISDBHSA-N 2 1 293.499 2.669 50 0 CFAAMP Cc1nc(C[NH2+][C@H](C)CCn2cc[nH+]c2C)cs1 ZINC000067740141 373996693 /nfs/dbraw/zinc/99/66/93/373996693.db2.gz KMVXMMZNQFQQIT-SNVBAGLBSA-N 2 1 264.398 2.525 50 0 CFAAMP C/C(=C\c1ccco1)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067714344 373997496 /nfs/dbraw/zinc/99/74/96/373997496.db2.gz IWYJDWJXRFYPQU-SDNWHVSQSA-N 2 1 260.381 2.758 50 0 CFAAMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC000067885232 374012300 /nfs/dbraw/zinc/01/23/00/374012300.db2.gz QCFLJPRMIBSAJN-UHFFFAOYSA-N 2 1 279.815 2.653 50 0 CFAAMP CC(C)C/C=C(\C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC000082138702 374728520 /nfs/dbraw/zinc/72/85/20/374728520.db2.gz MIGYULBJXHQNFP-AMNWKIMCSA-N 2 1 288.435 2.510 50 0 CFAAMP CC(C)C/C=C(\C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC000082138702 374728529 /nfs/dbraw/zinc/72/85/29/374728529.db2.gz MIGYULBJXHQNFP-AMNWKIMCSA-N 2 1 288.435 2.510 50 0 CFAAMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021621 375335466 /nfs/dbraw/zinc/33/54/66/375335466.db2.gz RSXFLMXFDDBTQO-UHFFFAOYSA-N 2 1 274.408 2.659 50 0 CFAAMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000097287848 375548019 /nfs/dbraw/zinc/54/80/19/375548019.db2.gz TZOQHHNGODUBDG-UHFFFAOYSA-N 2 1 278.440 2.868 50 0 CFAAMP Cc1cc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)nc(C)[nH+]1 ZINC000342700460 381488512 /nfs/dbraw/zinc/48/85/12/381488512.db2.gz QVPBGRYAPBIRAS-HNNXBMFYSA-N 2 1 288.439 2.840 50 0 CFAAMP COc1ccc(CN(C)CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000244795759 382992750 /nfs/dbraw/zinc/99/27/50/382992750.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 2 1 292.423 2.620 50 0 CFAAMP COc1ccc(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC000244795759 382992755 /nfs/dbraw/zinc/99/27/55/382992755.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 2 1 292.423 2.620 50 0 CFAAMP COc1ccc(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC000244795759 382992760 /nfs/dbraw/zinc/99/27/60/382992760.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 2 1 292.423 2.620 50 0 CFAAMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000244795759 382992764 /nfs/dbraw/zinc/99/27/64/382992764.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 2 1 292.423 2.620 50 0 CFAAMP COc1ccc(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000244795759 382992769 /nfs/dbraw/zinc/99/27/69/382992769.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 2 1 292.423 2.620 50 0 CFAAMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(F)cc1 ZINC000262033456 383597252 /nfs/dbraw/zinc/59/72/52/383597252.db2.gz XKYSIIQWJNVUPP-WXYCVUISSA-N 2 1 262.372 2.598 50 0 CFAAMP COc1ccccc1/C=C\C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000096297186 393818512 /nfs/dbraw/zinc/81/85/12/393818512.db2.gz KDTBACOUBVDNLT-XQRVVYSFSA-N 2 1 286.419 2.925 50 0 CFAAMP FCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000108464651 397598025 /nfs/dbraw/zinc/59/80/25/397598025.db2.gz SOYFSAMBNCLAOL-IXDOHACOSA-N 2 1 276.399 2.846 50 0 CFAAMP COc1ccccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000020128701 171016158 /nfs/dbraw/zinc/01/61/58/171016158.db2.gz IWUNBGDLFCFZLH-UHFFFAOYSA-N 2 1 262.397 2.661 50 0 CFAAMP C[NH+](C)CCCC[N@@H+](C)Cc1cc(-c2ccccn2)no1 ZINC000020994088 171283858 /nfs/dbraw/zinc/28/38/58/171283858.db2.gz XDFOEKCEMHYHTR-UHFFFAOYSA-N 2 1 288.395 2.510 50 0 CFAAMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000044534373 175197831 /nfs/dbraw/zinc/19/78/31/175197831.db2.gz QITFIDSJVMMNJP-OAHLLOKOSA-N 2 1 292.423 2.525 50 0 CFAAMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1N(C)C ZINC000093942261 278351249 /nfs/dbraw/zinc/35/12/49/278351249.db2.gz GNLNYDMSBAMWIL-CABCVRRESA-N 2 1 287.451 2.888 50 0 CFAAMP CC(C)C[C@@]1(CO)CCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000243901874 519287992 /nfs/dbraw/zinc/28/79/92/519287992.db2.gz BFAOUEIXMYXTJV-BBWFWOEESA-N 2 1 282.472 2.625 50 0 CFAAMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000863982607 637832187 /nfs/dbraw/zinc/83/21/87/637832187.db2.gz VMZCDLGOWUEWCM-CYBMUJFWSA-N 2 1 276.424 2.659 50 0 CFAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000821181569 781877157 /nfs/dbraw/zinc/87/71/57/781877157.db2.gz ADODUGJDJPMHIF-CYBMUJFWSA-N 2 1 272.396 2.772 50 0 CFAAMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1 ZINC000096461412 230378159 /nfs/dbraw/zinc/37/81/59/230378159.db2.gz NBGSENPRNXTQJD-CYBMUJFWSA-N 2 1 295.390 2.765 50 0 CFAAMP Cc1ccccc1OC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484324 230381216 /nfs/dbraw/zinc/38/12/16/230381216.db2.gz VUWRZGJYAXLRIP-GVDBMIGSSA-N 2 1 288.435 2.979 50 0 CFAAMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000169789908 348052447 /nfs/dbraw/zinc/05/24/47/348052447.db2.gz RYWIZZMUDZJGHX-HNNXBMFYSA-N 2 1 294.464 2.538 50 0 CFAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000823557362 781933971 /nfs/dbraw/zinc/93/39/71/781933971.db2.gz NHMZBRBERBUKGA-AWEZNQCLSA-N 2 1 272.396 2.636 50 0 CFAAMP CC(C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991480 /nfs/dbraw/zinc/99/14/80/540991480.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991483 /nfs/dbraw/zinc/99/14/83/540991483.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991487 /nfs/dbraw/zinc/99/14/87/540991487.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991490 /nfs/dbraw/zinc/99/14/90/540991490.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 2 1 286.423 2.725 50 0 CFAAMP CC(C)Oc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC000032105912 372426517 /nfs/dbraw/zinc/42/65/17/372426517.db2.gz XXLOPSUGEUYVLR-UHFFFAOYSA-N 2 1 250.386 2.515 50 0 CFAAMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000037644249 372680763 /nfs/dbraw/zinc/68/07/63/372680763.db2.gz WTNLQOYWLBWMMW-OAHLLOKOSA-N 2 1 292.423 2.525 50 0 CFAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000065512340 373882458 /nfs/dbraw/zinc/88/24/58/373882458.db2.gz WEUHTPRKJWJTJB-INIZCTEOSA-N 2 1 282.391 2.719 50 0 CFAAMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)c1 ZINC000065512340 373882467 /nfs/dbraw/zinc/88/24/67/373882467.db2.gz WEUHTPRKJWJTJB-INIZCTEOSA-N 2 1 282.391 2.719 50 0 CFAAMP CCOc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH+](C)C2)cc1 ZINC000065456076 373872595 /nfs/dbraw/zinc/87/25/95/373872595.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH+](C)C2)cc1 ZINC000065456076 373872599 /nfs/dbraw/zinc/87/25/99/373872599.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[NH+](C)C[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC000065456076 373872604 /nfs/dbraw/zinc/87/26/04/373872604.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 2 1 276.424 2.859 50 0 CFAAMP CCOc1ccc(C[NH+](C)C[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000065456076 373872607 /nfs/dbraw/zinc/87/26/07/373872607.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 2 1 276.424 2.859 50 0 CFAAMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875189 373960328 /nfs/dbraw/zinc/96/03/28/373960328.db2.gz VFOXXPVJXONHQT-OAHLLOKOSA-N 2 1 288.435 2.940 50 0 CFAAMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875189 373960332 /nfs/dbraw/zinc/96/03/32/373960332.db2.gz VFOXXPVJXONHQT-OAHLLOKOSA-N 2 1 288.435 2.940 50 0 CFAAMP Cc1cc(O)cc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067724293 373996454 /nfs/dbraw/zinc/99/64/54/373996454.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 2 1 288.435 2.927 50 0 CFAAMP Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000067724293 373996466 /nfs/dbraw/zinc/99/64/66/373996466.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 2 1 288.435 2.927 50 0 CFAAMP Cc1cc(O)cc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000067724293 373996475 /nfs/dbraw/zinc/99/64/75/373996475.db2.gz WGACHEIXFSVPBZ-SFHVURJKSA-N 2 1 288.435 2.927 50 0 CFAAMP C=Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000067674204 373989922 /nfs/dbraw/zinc/98/99/22/373989922.db2.gz FVCHJIWWQZZSMQ-KRWDZBQOSA-N 2 1 256.393 2.905 50 0 CFAAMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069592784 374077414 /nfs/dbraw/zinc/07/74/14/374077414.db2.gz SMHYBVHVKKCVFZ-SFHVURJKSA-N 2 1 293.499 2.669 50 0 CFAAMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069592778 374076208 /nfs/dbraw/zinc/07/62/08/374076208.db2.gz SMHYBVHVKKCVFZ-GOSISDBHSA-N 2 1 293.499 2.669 50 0 CFAAMP C(O[C@H]1C[N@H+](C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676567 379107283 /nfs/dbraw/zinc/10/72/83/379107283.db2.gz UFYTXEBQDUHVOY-INIZCTEOSA-N 2 1 278.440 2.552 50 0 CFAAMP C(O[C@H]1C[N@@H+](C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676567 379107287 /nfs/dbraw/zinc/10/72/87/379107287.db2.gz UFYTXEBQDUHVOY-INIZCTEOSA-N 2 1 278.440 2.552 50 0 CFAAMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)nc1 ZINC000335849709 379990789 /nfs/dbraw/zinc/99/07/89/379990789.db2.gz OUZCXDXBGQQGQH-HOCLYGCPSA-N 2 1 270.380 2.670 50 0 CFAAMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192390832 382708146 /nfs/dbraw/zinc/70/81/46/382708146.db2.gz ZJROJJVTXSZWPC-VNHYZAJKSA-N 2 1 250.430 2.885 50 0 CFAAMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000192390827 382708191 /nfs/dbraw/zinc/70/81/91/382708191.db2.gz ZJROJJVTXSZWPC-IPYPFGDCSA-N 2 1 250.430 2.885 50 0 CFAAMP c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000215260130 382778072 /nfs/dbraw/zinc/77/80/72/382778072.db2.gz HOECEAQWXBKLLJ-IYBDPMFKSA-N 2 1 286.419 2.659 50 0 CFAAMP c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000215260130 382778074 /nfs/dbraw/zinc/77/80/74/382778074.db2.gz HOECEAQWXBKLLJ-IYBDPMFKSA-N 2 1 286.419 2.659 50 0 CFAAMP COC[C@@H]1CCC[N@H+]1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215468217 382779243 /nfs/dbraw/zinc/77/92/43/382779243.db2.gz RWJAQEFZYHXQIE-HNNXBMFYSA-N 2 1 294.464 2.955 50 0 CFAAMP Cc1n[nH]c(C)c1CC[N@H+](C)CC(C)(C)C[NH+]1CCCC1 ZINC000216109362 382782256 /nfs/dbraw/zinc/78/22/56/382782256.db2.gz AEXKGPSRKCPCOU-UHFFFAOYSA-N 2 1 292.471 2.623 50 0 CFAAMP CN(Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000216479602 382783453 /nfs/dbraw/zinc/78/34/53/382783453.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 1 270.779 2.863 50 0 CFAAMP C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000216479602 382783455 /nfs/dbraw/zinc/78/34/55/382783455.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 1 270.779 2.863 50 0 CFAAMP C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000216479602 382783457 /nfs/dbraw/zinc/78/34/57/382783457.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 1 270.779 2.863 50 0 CFAAMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000216479602 382783459 /nfs/dbraw/zinc/78/34/59/382783459.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 1 270.779 2.863 50 0 CFAAMP C[NH+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000216479602 382783461 /nfs/dbraw/zinc/78/34/61/382783461.db2.gz ZNWMEBREPBJVJE-GFCCVEGCSA-N 2 1 270.779 2.863 50 0 CFAAMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080024 383604201 /nfs/dbraw/zinc/60/42/01/383604201.db2.gz DWNVAXBSOPDZRY-WDEREUQCSA-N 2 1 268.788 2.518 50 0 CFAAMP COc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080024 383604209 /nfs/dbraw/zinc/60/42/09/383604209.db2.gz DWNVAXBSOPDZRY-WDEREUQCSA-N 2 1 268.788 2.518 50 0 CFAAMP COCC1(C[NH2+][C@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000824347306 781991601 /nfs/dbraw/zinc/99/16/01/781991601.db2.gz VZXPODQFRSNNSR-OAHLLOKOSA-N 2 1 268.445 2.657 50 0 CFAAMP C[N@@H+]1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000077010499 177146266 /nfs/dbraw/zinc/14/62/66/177146266.db2.gz RBPWJGKAFDHQIB-ZACQAIPSSA-N 2 1 258.409 2.834 50 0 CFAAMP C[N@H+]1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000077010499 177146267 /nfs/dbraw/zinc/14/62/67/177146267.db2.gz RBPWJGKAFDHQIB-ZACQAIPSSA-N 2 1 258.409 2.834 50 0 CFAAMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000095959702 274276346 /nfs/dbraw/zinc/27/63/46/274276346.db2.gz YPYAKHUBXKRALR-QWHCGFSZSA-N 2 1 250.361 2.770 50 0 CFAAMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000095959702 274276349 /nfs/dbraw/zinc/27/63/49/274276349.db2.gz YPYAKHUBXKRALR-QWHCGFSZSA-N 2 1 250.361 2.770 50 0 CFAAMP COc1ccccc1/C=C/C[NH2+]CCCn1cc[nH+]c1C ZINC000263829842 536980977 /nfs/dbraw/zinc/98/09/77/536980977.db2.gz UVUDJSQDCVQUEJ-VMPITWQZSA-N 2 1 285.391 2.893 50 0 CFAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000821259990 781880265 /nfs/dbraw/zinc/88/02/65/781880265.db2.gz CVRTVFIJIXBROK-OAHLLOKOSA-N 2 1 282.472 2.591 50 0 CFAAMP CCCCCc1nc(C2CC[NH2+]CC2)n(-c2cc[nH+]cc2)n1 ZINC000822859141 781913102 /nfs/dbraw/zinc/91/31/02/781913102.db2.gz UTXPSSMJGRJNAQ-UHFFFAOYSA-N 2 1 299.422 2.862 50 0 CFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC000095967135 185046742 /nfs/dbraw/zinc/04/67/42/185046742.db2.gz UWGIMAMCYKMEOJ-CZUORRHYSA-N 2 1 264.388 2.688 50 0 CFAAMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000097743426 529820088 /nfs/dbraw/zinc/82/00/88/529820088.db2.gz YEIOVYMYNLDQRR-SJDLMVEWSA-N 2 1 262.372 2.770 50 0 CFAAMP C[N@H+]1CCC2(C1)CC[NH+]([C@H]1CCN(c3ccccc3)C1)CC2 ZINC000584885333 348727185 /nfs/dbraw/zinc/72/71/85/348727185.db2.gz MCBOZNFRQWWWCC-SFHVURJKSA-N 2 1 299.462 2.683 50 0 CFAAMP CCC[C@H](CNc1nc(C)[nH+]c(C)c1C)[NH+](C)C ZINC000091425868 180152177 /nfs/dbraw/zinc/15/21/77/180152177.db2.gz APDYRQCZRYMXQX-CYBMUJFWSA-N 2 1 250.390 2.544 50 0 CFAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000017316840 372132185 /nfs/dbraw/zinc/13/21/85/372132185.db2.gz KHOIUHOSEVAVCW-UHFFFAOYSA-N 2 1 289.423 2.609 50 0 CFAAMP C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067674965 373990133 /nfs/dbraw/zinc/99/01/33/373990133.db2.gz BXOYCRAQIMQUTH-DKGMDFAASA-N 2 1 260.381 2.758 50 0 CFAAMP C/C(=C\c1ccco1)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067674965 373990140 /nfs/dbraw/zinc/99/01/40/373990140.db2.gz BXOYCRAQIMQUTH-DKGMDFAASA-N 2 1 260.381 2.758 50 0 CFAAMP CC(C)C[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000090854043 375033753 /nfs/dbraw/zinc/03/37/53/375033753.db2.gz UCXJCNYHDPZORX-ZBFHGGJFSA-N 2 1 268.445 2.512 50 0 CFAAMP CC(C)C[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000090854043 375033759 /nfs/dbraw/zinc/03/37/59/375033759.db2.gz UCXJCNYHDPZORX-ZBFHGGJFSA-N 2 1 268.445 2.512 50 0 CFAAMP Cc1nc(C)c([C@@H](C)[N@@H+](C)CC2CC[NH2+]CC2)s1 ZINC000094010670 375335715 /nfs/dbraw/zinc/33/57/15/375335715.db2.gz XANKFCVWAYKDPR-LLVKDONJSA-N 2 1 267.442 2.752 50 0 CFAAMP CCc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000095466741 375458574 /nfs/dbraw/zinc/45/85/74/375458574.db2.gz BOBPORJLRLGBGL-MSOLQXFVSA-N 2 1 272.436 2.818 50 0 CFAAMP CCc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000095466741 375458578 /nfs/dbraw/zinc/45/85/78/375458578.db2.gz BOBPORJLRLGBGL-MSOLQXFVSA-N 2 1 272.436 2.818 50 0 CFAAMP CCc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000095466741 375458581 /nfs/dbraw/zinc/45/85/81/375458581.db2.gz BOBPORJLRLGBGL-MSOLQXFVSA-N 2 1 272.436 2.818 50 0 CFAAMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000097200934 375538867 /nfs/dbraw/zinc/53/88/67/375538867.db2.gz HKIUJIPKTPMTSV-MRXNPFEDSA-N 2 1 282.391 2.719 50 0 CFAAMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000097200934 375538874 /nfs/dbraw/zinc/53/88/74/375538874.db2.gz HKIUJIPKTPMTSV-MRXNPFEDSA-N 2 1 282.391 2.719 50 0 CFAAMP Cc1ccccc1C[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000096477640 375489523 /nfs/dbraw/zinc/48/95/23/375489523.db2.gz PIFFTAOBIVFFPN-MRXNPFEDSA-N 2 1 290.451 2.626 50 0 CFAAMP CO[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000097082154 375508725 /nfs/dbraw/zinc/50/87/25/375508725.db2.gz JZLKHVBSAGFLMN-QGZVFWFLSA-N 2 1 294.414 2.976 50 0 CFAAMP COc1ccc(CN(C)C[C@]2(C)CC[N@@H+](C)C2)c(F)c1 ZINC000215391334 382778519 /nfs/dbraw/zinc/77/85/19/382778519.db2.gz JAOVIJNMVOXDBZ-MRXNPFEDSA-N 2 1 280.387 2.608 50 0 CFAAMP CCc1ccc(C[N@@H+](C)CCCc2nccn2C)o1 ZINC000216420399 382783773 /nfs/dbraw/zinc/78/37/73/382783773.db2.gz HTQMHCIONDDCNT-UHFFFAOYSA-N 2 1 261.369 2.640 50 0 CFAAMP CCc1ccc(C[N@H+](C)CCCc2[nH+]ccn2C)o1 ZINC000216420399 382783775 /nfs/dbraw/zinc/78/37/75/382783775.db2.gz HTQMHCIONDDCNT-UHFFFAOYSA-N 2 1 261.369 2.640 50 0 CFAAMP CCOCCC[N@H+]1CC[C@@H](Nc2ccccn2)[C@@H](C)C1 ZINC000229813493 382853422 /nfs/dbraw/zinc/85/34/22/382853422.db2.gz MZIUZDABHUDNKE-LSDHHAIUSA-N 2 1 277.412 2.631 50 0 CFAAMP C[C@H](C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262033459 383597567 /nfs/dbraw/zinc/59/75/67/383597567.db2.gz XKYSIIQWJNVUPP-XTBFLFJDSA-N 2 1 262.372 2.598 50 0 CFAAMP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037490698 173232110 /nfs/dbraw/zinc/23/21/10/173232110.db2.gz KBXDZHLWXBDDFT-ROUUACIJSA-N 2 1 288.435 2.544 50 0 CFAAMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533055 175195877 /nfs/dbraw/zinc/19/58/77/175195877.db2.gz HWMCYKFILGUHJG-OAHLLOKOSA-N 2 1 276.424 2.905 50 0 CFAAMP CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533055 175195879 /nfs/dbraw/zinc/19/58/79/175195879.db2.gz HWMCYKFILGUHJG-OAHLLOKOSA-N 2 1 276.424 2.905 50 0 CFAAMP CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000044533718 175197871 /nfs/dbraw/zinc/19/78/71/175197871.db2.gz SXPCKPACECQRKL-HNNXBMFYSA-N 2 1 292.423 2.525 50 0 CFAAMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCCO)C1 ZINC000071905407 176296490 /nfs/dbraw/zinc/29/64/90/176296490.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCCO)C1 ZINC000071905407 176296492 /nfs/dbraw/zinc/29/64/92/176296492.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 2 1 282.472 2.735 50 0 CFAAMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCCO)C1 ZINC000071905407 176296494 /nfs/dbraw/zinc/29/64/94/176296494.db2.gz OFYHBCULHPANFM-DLBZAZTESA-N 2 1 282.472 2.735 50 0 CFAAMP Cc1cccc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000072131798 176321551 /nfs/dbraw/zinc/32/15/51/176321551.db2.gz OEKMETKDBQTXDK-UHFFFAOYSA-N 2 1 296.418 2.806 50 0 CFAAMP C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016444 277031386 /nfs/dbraw/zinc/03/13/86/277031386.db2.gz IFJLIBXFYDBRMV-CQSZACIVSA-N 2 1 262.397 2.977 50 0 CFAAMP Cc1cccc(C(C)(C)C)c1OCCCC[NH2+]CC[NH3+] ZINC000039960861 281197446 /nfs/dbraw/zinc/19/74/46/281197446.db2.gz KKGYEJINYZYMRK-UHFFFAOYSA-N 2 1 278.440 3.000 50 0 CFAAMP NC(=[NH2+])N1C(=[NH2+])Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000206461776 295006459 /nfs/dbraw/zinc/00/64/59/295006459.db2.gz SCPRECBHQADPBM-ZDUSSCGKSA-N 2 1 299.765 2.585 50 0 CFAAMP C[C@@H]([NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)c1ccccc1 ZINC000063872578 781562682 /nfs/dbraw/zinc/56/26/82/781562682.db2.gz YSMSGWNMWMGGFC-KBAYOESNSA-N 2 1 288.435 2.717 50 0 CFAAMP [NH3+]CC[NH2+]CCCCSc1ccc(Cl)cc1 ZINC000039960853 346344944 /nfs/dbraw/zinc/34/49/44/346344944.db2.gz DUXOVGNWVWUSEU-UHFFFAOYSA-N 2 1 258.818 2.761 50 0 CFAAMP C[C@@H](CCCO)[NH2+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000195553550 348146291 /nfs/dbraw/zinc/14/62/91/348146291.db2.gz KJHPXEWVWLUHRC-LSDHHAIUSA-N 2 1 268.445 2.534 50 0 CFAAMP C[C@@H](CCCO)[NH2+][C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000195553550 348146294 /nfs/dbraw/zinc/14/62/94/348146294.db2.gz KJHPXEWVWLUHRC-LSDHHAIUSA-N 2 1 268.445 2.534 50 0 CFAAMP COC(C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC000195572044 348147349 /nfs/dbraw/zinc/14/73/49/348147349.db2.gz BVWRVFOYZNNPCS-UHFFFAOYSA-N 2 1 298.471 2.580 50 0 CFAAMP COC(C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC000195572044 348147352 /nfs/dbraw/zinc/14/73/52/348147352.db2.gz BVWRVFOYZNNPCS-UHFFFAOYSA-N 2 1 298.471 2.580 50 0 CFAAMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000090909637 540382252 /nfs/dbraw/zinc/38/22/52/540382252.db2.gz OESZTWPTYAXEAF-CQSZACIVSA-N 2 1 276.424 2.558 50 0 CFAAMP C[C@@H](c1cccc(C[N@@H+](C)CC2(C)COC2)c1)[NH+](C)C ZINC000823683730 781935711 /nfs/dbraw/zinc/93/57/11/781935711.db2.gz IWJOHFJVJRZBHW-AWEZNQCLSA-N 2 1 276.424 2.778 50 0 CFAAMP COc1ccc2c(c1)C[C@@H]([NH2+]CCn1c[nH+]c(C)c1C)CC2 ZINC000670471956 541010499 /nfs/dbraw/zinc/01/04/99/541010499.db2.gz VMFOGIRNDKWHIB-KRWDZBQOSA-N 2 1 299.418 2.656 50 0 CFAAMP CCn1cc(C[N@H+](C)Cc2cc(C[NH+](C)C)cs2)cn1 ZINC000215358670 189692633 /nfs/dbraw/zinc/69/26/33/189692633.db2.gz ZURCRHBNWZKLTE-UHFFFAOYSA-N 2 1 292.452 2.658 50 0 CFAAMP CCn1cc(C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)cn1 ZINC000215358670 189692634 /nfs/dbraw/zinc/69/26/34/189692634.db2.gz ZURCRHBNWZKLTE-UHFFFAOYSA-N 2 1 292.452 2.658 50 0 CFAAMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000000214842 371560757 /nfs/dbraw/zinc/56/07/57/371560757.db2.gz XCWDJFZIQMPNKJ-QGZVFWFLSA-N 2 1 276.424 2.526 50 0 CFAAMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000000214842 371560762 /nfs/dbraw/zinc/56/07/62/371560762.db2.gz XCWDJFZIQMPNKJ-QGZVFWFLSA-N 2 1 276.424 2.526 50 0 CFAAMP OC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000221168 371561519 /nfs/dbraw/zinc/56/15/19/371561519.db2.gz BPTCDAQZXJCZAV-UHFFFAOYSA-N 2 1 288.435 2.544 50 0 CFAAMP CC[C@@H](c1cccnc1)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000065497436 373880467 /nfs/dbraw/zinc/88/04/67/373880467.db2.gz PACKGWOANMLRMC-INIZCTEOSA-N 2 1 261.413 2.949 50 0 CFAAMP CC[C@@H](c1cccnc1)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000065497436 373880475 /nfs/dbraw/zinc/88/04/75/373880475.db2.gz PACKGWOANMLRMC-INIZCTEOSA-N 2 1 261.413 2.949 50 0 CFAAMP CCC[N@H+]1CCC[C@@H](C[NH2+]C2Cc3ccccc3C2)C1 ZINC000065375888 373861136 /nfs/dbraw/zinc/86/11/36/373861136.db2.gz DBWPCPONXHDKQH-HNNXBMFYSA-N 2 1 272.436 2.865 50 0 CFAAMP C[N@@H+](Cc1ncc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072433464 374254104 /nfs/dbraw/zinc/25/41/04/374254104.db2.gz OEDNPZOSLUQHQB-UHFFFAOYSA-N 2 1 298.434 2.754 50 0 CFAAMP C[N@H+](Cc1ncc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072433464 374254111 /nfs/dbraw/zinc/25/41/11/374254111.db2.gz OEDNPZOSLUQHQB-UHFFFAOYSA-N 2 1 298.434 2.754 50 0 CFAAMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095444373 375452101 /nfs/dbraw/zinc/45/21/01/375452101.db2.gz HRFBMPZCSBIENV-JONQDZQNSA-N 2 1 280.456 2.654 50 0 CFAAMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095444373 375452105 /nfs/dbraw/zinc/45/21/05/375452105.db2.gz HRFBMPZCSBIENV-JONQDZQNSA-N 2 1 280.456 2.654 50 0 CFAAMP CO[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000097082153 375509240 /nfs/dbraw/zinc/50/92/40/375509240.db2.gz JZLKHVBSAGFLMN-KRWDZBQOSA-N 2 1 294.414 2.976 50 0 CFAAMP [NH3+][C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000097413262 375558524 /nfs/dbraw/zinc/55/85/24/375558524.db2.gz JQSDZQHYSMYDAJ-MRXNPFEDSA-N 2 1 288.439 2.838 50 0 CFAAMP [NH3+][C@@H]1CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000097413262 375558529 /nfs/dbraw/zinc/55/85/29/375558529.db2.gz JQSDZQHYSMYDAJ-MRXNPFEDSA-N 2 1 288.439 2.838 50 0 CFAAMP Cc1cc(C)n(CCC[NH+](C)C[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000244690847 382990086 /nfs/dbraw/zinc/99/00/86/382990086.db2.gz IXZOGUHGXSGMEM-QGZVFWFLSA-N 2 1 292.471 2.552 50 0 CFAAMP Cc1cc(C)n(CCC[N@@H+](C)C[C@H]2CC[NH+](C(C)C)C2)n1 ZINC000244690847 382990087 /nfs/dbraw/zinc/99/00/87/382990087.db2.gz IXZOGUHGXSGMEM-QGZVFWFLSA-N 2 1 292.471 2.552 50 0 CFAAMP Cc1cc(C)n(CCC[N@H+](C)C[C@H]2CC[NH+](C(C)C)C2)n1 ZINC000244690847 382990089 /nfs/dbraw/zinc/99/00/89/382990089.db2.gz IXZOGUHGXSGMEM-QGZVFWFLSA-N 2 1 292.471 2.552 50 0 CFAAMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)C12CCC2 ZINC000247950019 383201616 /nfs/dbraw/zinc/20/16/16/383201616.db2.gz DXSRRUVTCJPAEB-LVQVYYBASA-N 2 1 280.456 2.654 50 0 CFAAMP C[C@H](C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(F)cc1 ZINC000262033453 383597598 /nfs/dbraw/zinc/59/75/98/383597598.db2.gz XKYSIIQWJNVUPP-SHPPOPEUSA-N 2 1 262.372 2.598 50 0 CFAAMP COCC1(C[NH2+][C@@H](C)C[NH+]2CCCCCC2)CCC1 ZINC000824347303 781990767 /nfs/dbraw/zinc/99/07/67/781990767.db2.gz VZXPODQFRSNNSR-HNNXBMFYSA-N 2 1 268.445 2.657 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489642 393473180 /nfs/dbraw/zinc/47/31/80/393473180.db2.gz DAGGEUHIWOTDNG-GZBFAFLISA-N 2 1 292.423 2.522 50 0 CFAAMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489642 393473189 /nfs/dbraw/zinc/47/31/89/393473189.db2.gz DAGGEUHIWOTDNG-GZBFAFLISA-N 2 1 292.423 2.522 50 0 CFAAMP CSCCC[N@H+]1CCCN(c2cc[nH+]cc2C)CC1 ZINC000077555074 393699507 /nfs/dbraw/zinc/69/95/07/393699507.db2.gz XEXJICLDAJXJRZ-UHFFFAOYSA-N 2 1 279.453 2.655 50 0 CFAAMP Cc1ccc(NCCC[NH2+]C2CSCCSC2)[nH+]c1 ZINC000825195245 782005433 /nfs/dbraw/zinc/00/54/33/782005433.db2.gz GJQJETIJTULNTO-UHFFFAOYSA-N 2 1 297.493 2.630 50 0 CFAAMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035686561 172354614 /nfs/dbraw/zinc/35/46/14/172354614.db2.gz XKFKRJTVXUWDTN-CQSZACIVSA-N 2 1 290.407 2.769 50 0 CFAAMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000035686561 172354615 /nfs/dbraw/zinc/35/46/15/172354615.db2.gz XKFKRJTVXUWDTN-CQSZACIVSA-N 2 1 290.407 2.769 50 0 CFAAMP Cc1cc(C(C)(C)C)ccc1OCCC[NH2+]CC[NH3+] ZINC000020118459 618800264 /nfs/dbraw/zinc/80/02/64/618800264.db2.gz DCXWVKXAYIBUFH-UHFFFAOYSA-N 2 1 264.413 2.610 50 0 CFAAMP C[N@H+]1CC[C@@H]2C[NH+](CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871504 /nfs/dbraw/zinc/87/15/04/637871504.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 2 1 294.389 2.781 50 0 CFAAMP C[NH+]1CC[C@@H]2C[N@H+](CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871513 /nfs/dbraw/zinc/87/15/13/637871513.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 2 1 294.389 2.781 50 0 CFAAMP C[NH+]1CC[C@@H]2C[N@@H+](CCCc3c(F)cccc3F)C[C@@H]2C1 ZINC000864091343 637871518 /nfs/dbraw/zinc/87/15/18/637871518.db2.gz SQJCOTSXCIELHL-KGLIPLIRSA-N 2 1 294.389 2.781 50 0 CFAAMP COc1ccc(F)c(F)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000952967673 650790099 /nfs/dbraw/zinc/79/00/99/650790099.db2.gz BNBCTYUQMWVMJN-UHFFFAOYSA-N 2 1 295.333 2.658 50 0 CFAAMP CC[N@H+]1CCC[C@@H](N2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000032519409 779019042 /nfs/dbraw/zinc/01/90/42/779019042.db2.gz GNIWFILOVKJHGZ-ZWKOTPCHSA-N 2 1 293.499 2.669 50 0 CFAAMP CCC(CC)C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032587114 779072311 /nfs/dbraw/zinc/07/23/11/779072311.db2.gz YGEFNRBLVXSIIU-UHFFFAOYSA-N 2 1 270.486 2.936 50 0 CFAAMP CCN(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974241 185049651 /nfs/dbraw/zinc/04/96/51/185049651.db2.gz AZAGKHNKHOSHAZ-IAGOWNOFSA-N 2 1 287.451 2.859 50 0 CFAAMP C[C@H](c1cccc(C[N@@H+](C)CC2(C)COC2)c1)[NH+](C)C ZINC000823683731 781936182 /nfs/dbraw/zinc/93/61/82/781936182.db2.gz IWJOHFJVJRZBHW-CQSZACIVSA-N 2 1 276.424 2.778 50 0 CFAAMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1(C)C ZINC000670450945 540999634 /nfs/dbraw/zinc/99/96/34/540999634.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 2 1 294.414 2.867 50 0 CFAAMP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000670450945 540999638 /nfs/dbraw/zinc/99/96/38/540999638.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 2 1 294.414 2.867 50 0 CFAAMP C[NH+](CCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000670450945 540999640 /nfs/dbraw/zinc/99/96/40/540999640.db2.gz AQWFPTXNPHONCW-AWEZNQCLSA-N 2 1 294.414 2.867 50 0 CFAAMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000000802059 371651038 /nfs/dbraw/zinc/65/10/38/371651038.db2.gz STSCZGKZJLZTPR-CYBMUJFWSA-N 2 1 262.397 2.830 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000037643761 372677875 /nfs/dbraw/zinc/67/78/75/372677875.db2.gz XXBFMXFXKNDVMH-CQSZACIVSA-N 2 1 262.397 2.517 50 0 CFAAMP CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CC)C1 ZINC000037643761 372677881 /nfs/dbraw/zinc/67/78/81/372677881.db2.gz XXBFMXFXKNDVMH-CQSZACIVSA-N 2 1 262.397 2.517 50 0 CFAAMP c1ccc(NCC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000055074686 373539239 /nfs/dbraw/zinc/53/92/39/373539239.db2.gz CAISHGLDTJLOKC-FUHWJXTLSA-N 2 1 287.451 2.953 50 0 CFAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000067739406 373996997 /nfs/dbraw/zinc/99/69/97/373996997.db2.gz WNMCKKBHALJYED-AWEZNQCLSA-N 2 1 295.390 2.556 50 0 CFAAMP c1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067561104 373983341 /nfs/dbraw/zinc/98/33/41/373983341.db2.gz QUTSZDLTAVQJJD-KRWDZBQOSA-N 2 1 269.392 2.743 50 0 CFAAMP Cc1cc(C)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067588906 373986056 /nfs/dbraw/zinc/98/60/56/373986056.db2.gz ZWTCUEHKIVKJLX-UHFFFAOYSA-N 2 1 258.409 2.879 50 0 CFAAMP Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097610114 375573066 /nfs/dbraw/zinc/57/30/66/375573066.db2.gz YVSXLBBSPUUPLR-MRXNPFEDSA-N 2 1 296.418 2.765 50 0 CFAAMP Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097610114 375573069 /nfs/dbraw/zinc/57/30/69/375573069.db2.gz YVSXLBBSPUUPLR-MRXNPFEDSA-N 2 1 296.418 2.765 50 0 CFAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000216115597 382782241 /nfs/dbraw/zinc/78/22/41/382782241.db2.gz NTXOSIIZQPQSKS-UHFFFAOYSA-N 2 1 261.344 2.771 50 0 CFAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000216115597 382782243 /nfs/dbraw/zinc/78/22/43/382782243.db2.gz NTXOSIIZQPQSKS-UHFFFAOYSA-N 2 1 261.344 2.771 50 0 CFAAMP COc1ccc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747300 /nfs/dbraw/zinc/74/73/00/382747300.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 2 1 296.414 2.842 50 0 CFAAMP COc1ccc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747301 /nfs/dbraw/zinc/74/73/01/382747301.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 2 1 296.414 2.842 50 0 CFAAMP COc1ccc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)ccc2c1 ZINC000194535213 382747302 /nfs/dbraw/zinc/74/73/02/382747302.db2.gz UIVFRUFQIKYIHU-HDICACEKSA-N 2 1 296.414 2.842 50 0 CFAAMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC000222107742 382800762 /nfs/dbraw/zinc/80/07/62/382800762.db2.gz UWGIMAMCYKMEOJ-BBRMVZONSA-N 2 1 264.388 2.688 50 0 CFAAMP CCN1CCC([N@@H+](C)CCCCC2CCOCC2)CC1 ZINC000225627362 382819394 /nfs/dbraw/zinc/81/93/94/382819394.db2.gz NKMQSHZJGNRKNL-UHFFFAOYSA-N 2 1 282.472 2.999 50 0 CFAAMP CC[NH+]1CCC([N@H+](C)CCCCC2CCOCC2)CC1 ZINC000225627362 382819397 /nfs/dbraw/zinc/81/93/97/382819397.db2.gz NKMQSHZJGNRKNL-UHFFFAOYSA-N 2 1 282.472 2.999 50 0 CFAAMP CC[NH+]1CCC([N@@H+](C)CCCCC2CCOCC2)CC1 ZINC000225627362 382819399 /nfs/dbraw/zinc/81/93/99/382819399.db2.gz NKMQSHZJGNRKNL-UHFFFAOYSA-N 2 1 282.472 2.999 50 0 CFAAMP COc1cc(F)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000426471689 383401067 /nfs/dbraw/zinc/40/10/67/383401067.db2.gz SUVMWRGAKFSBAB-UHFFFAOYSA-N 2 1 292.398 2.800 50 0 CFAAMP CC[C@@H](c1cccnc1)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000253378332 383453801 /nfs/dbraw/zinc/45/38/01/383453801.db2.gz BZWQUENPWHRRFE-IMJJTQAJSA-N 2 1 261.413 2.982 50 0 CFAAMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC000253370763 383453817 /nfs/dbraw/zinc/45/38/17/383453817.db2.gz VPWWILHCIIOHIF-RBSFLKMASA-N 2 1 268.445 2.512 50 0 CFAAMP CC(C)(O)C1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055307995 393620369 /nfs/dbraw/zinc/62/03/69/393620369.db2.gz LQECCEPCSXGNBM-DOTOQJQBSA-N 2 1 294.483 2.734 50 0 CFAAMP CC(C)(O)C1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055307995 393620372 /nfs/dbraw/zinc/62/03/72/393620372.db2.gz LQECCEPCSXGNBM-DOTOQJQBSA-N 2 1 294.483 2.734 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000252495975 393936102 /nfs/dbraw/zinc/93/61/02/393936102.db2.gz PDZZNCRXEYHORW-UHFFFAOYSA-N 2 1 285.391 2.952 50 0 CFAAMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000252495975 393936105 /nfs/dbraw/zinc/93/61/05/393936105.db2.gz PDZZNCRXEYHORW-UHFFFAOYSA-N 2 1 285.391 2.952 50 0 CFAAMP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502721 287027619 /nfs/dbraw/zinc/02/76/19/287027619.db2.gz JZUXBIADDVIZDY-IAGOWNOFSA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000096502721 287027622 /nfs/dbraw/zinc/02/76/22/287027622.db2.gz JZUXBIADDVIZDY-IAGOWNOFSA-N 2 1 293.499 2.715 50 0 CFAAMP C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096502721 287027625 /nfs/dbraw/zinc/02/76/25/287027625.db2.gz JZUXBIADDVIZDY-IAGOWNOFSA-N 2 1 293.499 2.715 50 0 CFAAMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OC(C)C ZINC000040719579 174385546 /nfs/dbraw/zinc/38/55/46/174385546.db2.gz HFVJUHUSEBAHNA-UHFFFAOYSA-N 2 1 280.412 2.572 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071837279 176274059 /nfs/dbraw/zinc/27/40/59/176274059.db2.gz JBJJOJRXCUJMCH-QGZVFWFLSA-N 2 1 298.434 2.720 50 0 CFAAMP Cc1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071837279 176274060 /nfs/dbraw/zinc/27/40/60/176274060.db2.gz JBJJOJRXCUJMCH-QGZVFWFLSA-N 2 1 298.434 2.720 50 0 CFAAMP COC(=O)CC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000069451228 277316676 /nfs/dbraw/zinc/31/66/76/277316676.db2.gz SJKBORIRXDXTCE-UHFFFAOYSA-N 2 1 296.455 2.524 50 0 CFAAMP CSc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000214980318 278174923 /nfs/dbraw/zinc/17/49/23/278174923.db2.gz OEUQSXZFHIWQDL-CYBMUJFWSA-N 2 1 276.449 2.766 50 0 CFAAMP CSc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000214980318 278174924 /nfs/dbraw/zinc/17/49/24/278174924.db2.gz OEUQSXZFHIWQDL-CYBMUJFWSA-N 2 1 276.449 2.766 50 0 CFAAMP Cc1ncsc1C[NH2+][C@@H]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000888099152 619132930 /nfs/dbraw/zinc/13/29/30/619132930.db2.gz WOOOKXWIHIFNHG-VXGBXAGGSA-N 2 1 276.409 2.611 50 0 CFAAMP Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]C1CC[NH+](C)CC1 ZINC000089582695 623693329 /nfs/dbraw/zinc/69/33/29/623693329.db2.gz QUVNKBHPWSAEHA-HNNXBMFYSA-N 2 1 274.408 2.811 50 0 CFAAMP CCCC[N@@H+](CCCCO)CC[C@@H]1CCCC[NH+]1C ZINC000019809914 651294300 /nfs/dbraw/zinc/29/43/00/651294300.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 2 1 270.461 2.735 50 0 CFAAMP CCCC[NH+](CCCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000019809914 651294302 /nfs/dbraw/zinc/29/43/02/651294302.db2.gz LCIVSDZDSMVYTE-INIZCTEOSA-N 2 1 270.461 2.735 50 0 CFAAMP Cc1[nH+]ccn1CC[NH2+]C1CCN(c2ccc(C)cc2)CC1 ZINC000584899138 348732116 /nfs/dbraw/zinc/73/21/16/348732116.db2.gz KOGRDPXAJUNEKF-UHFFFAOYSA-N 2 1 298.434 2.759 50 0 CFAAMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1(C)C ZINC000670450946 540999295 /nfs/dbraw/zinc/99/92/95/540999295.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 2 1 294.414 2.867 50 0 CFAAMP C[NH+](CCOc1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1(C)C ZINC000670450946 540999296 /nfs/dbraw/zinc/99/92/96/540999296.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 2 1 294.414 2.867 50 0 CFAAMP C[NH+](CCOc1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000670450946 540999297 /nfs/dbraw/zinc/99/92/97/540999297.db2.gz AQWFPTXNPHONCW-CQSZACIVSA-N 2 1 294.414 2.867 50 0 CFAAMP Cc1[nH+]cn(CC[NH2+][C@@H](C)COc2ccccc2)c1C ZINC000670467448 541006964 /nfs/dbraw/zinc/00/69/64/541006964.db2.gz NEQDOGDADAPHMZ-ZDUSSCGKSA-N 2 1 273.380 2.557 50 0 CFAAMP Cc1[nH+]cc(CNc2cccc(C[NH+]3CCCC3)c2)n1C ZINC000032587161 372448007 /nfs/dbraw/zinc/44/80/07/372448007.db2.gz JYIXVIIWCUKEFJ-UHFFFAOYSA-N 2 1 284.407 2.936 50 0 CFAAMP CCC[NH+]1CCC(Cc2noc([C@@H]3CCCC[NH2+]3)n2)CC1 ZINC000067968078 374018353 /nfs/dbraw/zinc/01/83/53/374018353.db2.gz DQUOBAODIYYMFV-AWEZNQCLSA-N 2 1 292.427 2.549 50 0 CFAAMP C[N@H+]1CCCN(CCC[NH2+]C2CCCCCCC2)CC1 ZINC000095421923 375441190 /nfs/dbraw/zinc/44/11/90/375441190.db2.gz GZSDUZKDYLVYTB-UHFFFAOYSA-N 2 1 281.488 2.717 50 0 CFAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097499507 375566846 /nfs/dbraw/zinc/56/68/46/375566846.db2.gz XMJXTTUVJYTRIY-AWEZNQCLSA-N 2 1 274.408 2.789 50 0 CFAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000097499506 375567027 /nfs/dbraw/zinc/56/70/27/375567027.db2.gz XMJXTTUVJYTRIY-CQSZACIVSA-N 2 1 274.408 2.789 50 0 CFAAMP CSCCC[N@@H+](C)Cc1cccc(C[NH+](C)C)c1 ZINC000097756345 375582505 /nfs/dbraw/zinc/58/25/05/375582505.db2.gz CYJRYEBDDRKYLS-UHFFFAOYSA-N 2 1 266.454 2.933 50 0 CFAAMP C[N@H+]1CCC[C@@H](COc2cccc(C[NH2+]C3CC3)c2)C1 ZINC000299763700 382043999 /nfs/dbraw/zinc/04/39/99/382043999.db2.gz ZOUBQGGFEZBWJJ-OAHLLOKOSA-N 2 1 274.408 2.659 50 0 CFAAMP C[N@H+]1CCC[C@H](COc2cccc(C[NH2+]C3CC3)c2)C1 ZINC000299763698 382044067 /nfs/dbraw/zinc/04/40/67/382044067.db2.gz ZOUBQGGFEZBWJJ-HNNXBMFYSA-N 2 1 274.408 2.659 50 0 CFAAMP Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H]1c1ccccn1 ZINC000215411283 382778546 /nfs/dbraw/zinc/77/85/46/382778546.db2.gz NIIYEISGRIAUML-OAHLLOKOSA-N 2 1 256.353 2.840 50 0 CFAAMP Cc1nc[nH]c1C[N@H+]1CCCC[C@@H]1c1ccccn1 ZINC000215411283 382778547 /nfs/dbraw/zinc/77/85/47/382778547.db2.gz NIIYEISGRIAUML-OAHLLOKOSA-N 2 1 256.353 2.840 50 0 CFAAMP FCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000230099226 382855677 /nfs/dbraw/zinc/85/56/77/382855677.db2.gz SOYFSAMBNCLAOL-GVDBMIGSSA-N 2 1 276.399 2.846 50 0 CFAAMP CCc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000230228713 382857834 /nfs/dbraw/zinc/85/78/34/382857834.db2.gz BOBPORJLRLGBGL-QZTJIDSGSA-N 2 1 272.436 2.818 50 0 CFAAMP C[C@H](CC[C@@H]1CCCO1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245344204 382997877 /nfs/dbraw/zinc/99/78/77/382997877.db2.gz YBZJXKRRDPZJQF-UGUYLWEFSA-N 2 1 266.429 2.551 50 0 CFAAMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@@H+]1C ZINC000585118628 383115277 /nfs/dbraw/zinc/11/52/77/383115277.db2.gz WCFJVJDFJXUAKJ-ZFWWWQNUSA-N 2 1 271.408 2.751 50 0 CFAAMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n2C)CC[N@H+]1C ZINC000585118628 383115280 /nfs/dbraw/zinc/11/52/80/383115280.db2.gz WCFJVJDFJXUAKJ-ZFWWWQNUSA-N 2 1 271.408 2.751 50 0 CFAAMP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC000253370762 383453649 /nfs/dbraw/zinc/45/36/49/383453649.db2.gz VPWWILHCIIOHIF-KFWWJZLASA-N 2 1 268.445 2.512 50 0 CFAAMP COc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000262080020 383603350 /nfs/dbraw/zinc/60/33/50/383603350.db2.gz DWNVAXBSOPDZRY-MNOVXSKESA-N 2 1 268.788 2.518 50 0 CFAAMP COc1ccc(Cl)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000262080020 383603353 /nfs/dbraw/zinc/60/33/53/383603353.db2.gz DWNVAXBSOPDZRY-MNOVXSKESA-N 2 1 268.788 2.518 50 0 CFAAMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000262080018 383603708 /nfs/dbraw/zinc/60/37/08/383603708.db2.gz DWNVAXBSOPDZRY-GHMZBOCLSA-N 2 1 268.788 2.518 50 0 CFAAMP COc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000262080018 383603712 /nfs/dbraw/zinc/60/37/12/383603712.db2.gz DWNVAXBSOPDZRY-GHMZBOCLSA-N 2 1 268.788 2.518 50 0 CFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000825284211 782008549 /nfs/dbraw/zinc/00/85/49/782008549.db2.gz XLUNRAHMPICHPG-QGZVFWFLSA-N 2 1 299.418 2.983 50 0 CFAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000825284211 782008556 /nfs/dbraw/zinc/00/85/56/782008556.db2.gz XLUNRAHMPICHPG-QGZVFWFLSA-N 2 1 299.418 2.983 50 0 CFAAMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000248869193 287218755 /nfs/dbraw/zinc/21/87/55/287218755.db2.gz ZJROJJVTXSZWPC-NFAWXSAZSA-N 2 1 250.430 2.885 50 0 CFAAMP COc1ccc([C@]2(CC[NH3+])C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004340227 169959612 /nfs/dbraw/zinc/95/96/12/169959612.db2.gz QCPLMTXDUPTFBC-CKEIUWERSA-N 2 1 276.424 2.642 50 0 CFAAMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000044534371 175196929 /nfs/dbraw/zinc/19/69/29/175196929.db2.gz QITFIDSJVMMNJP-HNNXBMFYSA-N 2 1 292.423 2.525 50 0 CFAAMP C=Cc1cccc(C[N@@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067642403 175780119 /nfs/dbraw/zinc/78/01/19/175780119.db2.gz GXEVFBXHKRORPL-UHFFFAOYSA-N 2 1 299.462 2.541 50 0 CFAAMP Cc1ncsc1C[N@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072153564 176328034 /nfs/dbraw/zinc/32/80/34/176328034.db2.gz AYIVOPFROLYKGN-CYBMUJFWSA-N 2 1 267.442 2.758 50 0 CFAAMP Cc1ncsc1C[N@@H+]1CCCC[C@@H]1CC[NH+](C)C ZINC000072153564 176328036 /nfs/dbraw/zinc/32/80/36/176328036.db2.gz AYIVOPFROLYKGN-CYBMUJFWSA-N 2 1 267.442 2.758 50 0 CFAAMP Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000072137084 281346754 /nfs/dbraw/zinc/34/67/54/281346754.db2.gz NTEBIMNUANLZEA-QGZVFWFLSA-N 2 1 287.451 2.507 50 0 CFAAMP