smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000408027581 376286377 /nfs/dbraw/zinc/28/63/77/376286377.db2.gz MCQJUHHZTFQATL-GJZGRUSLSA-N 2 2 347.481 -0.557 10 0 EBAELP C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000408027581 376286381 /nfs/dbraw/zinc/28/63/81/376286381.db2.gz MCQJUHHZTFQATL-GJZGRUSLSA-N 2 2 347.481 -0.557 10 0 EBAELP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000332751767 377311141 /nfs/dbraw/zinc/31/11/41/377311141.db2.gz DQSRNEJPMNRZME-SOUVJXGZSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000332751767 377311148 /nfs/dbraw/zinc/31/11/48/377311148.db2.gz DQSRNEJPMNRZME-SOUVJXGZSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000332751767 377311152 /nfs/dbraw/zinc/31/11/52/377311152.db2.gz DQSRNEJPMNRZME-SOUVJXGZSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000332751767 377311159 /nfs/dbraw/zinc/31/11/59/377311159.db2.gz DQSRNEJPMNRZME-SOUVJXGZSA-N 2 2 326.441 -0.178 10 0 EBAELP C[N@H+](CC(=O)N1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863128 381249637 /nfs/dbraw/zinc/24/96/37/381249637.db2.gz YAJNRISYDFFKMA-UHFFFAOYSA-N 2 2 334.424 -0.169 10 0 EBAELP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330159232 155256622 /nfs/dbraw/zinc/25/66/22/155256622.db2.gz QTRCWBPZPXBEAX-HUUCEWRRSA-N 2 2 338.452 -0.528 10 0 EBAELP C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330159232 155256624 /nfs/dbraw/zinc/25/66/24/155256624.db2.gz QTRCWBPZPXBEAX-HUUCEWRRSA-N 2 2 338.452 -0.528 10 0 EBAELP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330159230 155257080 /nfs/dbraw/zinc/25/70/80/155257080.db2.gz QTRCWBPZPXBEAX-CABCVRRESA-N 2 2 338.452 -0.528 10 0 EBAELP C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000330159230 155257082 /nfs/dbraw/zinc/25/70/82/155257082.db2.gz QTRCWBPZPXBEAX-CABCVRRESA-N 2 2 338.452 -0.528 10 0 EBAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@@H+]2CCOCC2(C)C)cn1 ZINC000262125650 154213520 /nfs/dbraw/zinc/21/35/20/154213520.db2.gz GBOUWYWVCNTVNB-CABCVRRESA-N 2 2 335.452 -0.050 10 0 EBAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@H+]2CCOCC2(C)C)cn1 ZINC000262125650 154213524 /nfs/dbraw/zinc/21/35/24/154213524.db2.gz GBOUWYWVCNTVNB-CABCVRRESA-N 2 2 335.452 -0.050 10 0 EBAELP O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262559247 154238386 /nfs/dbraw/zinc/23/83/86/154238386.db2.gz VVPRPHLLGUJGLV-HOTGVXAUSA-N 2 2 349.431 -0.263 10 0 EBAELP O=C(CCNC(=O)[C@@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000262654164 154242205 /nfs/dbraw/zinc/24/22/05/154242205.db2.gz SVGZNCGAQUMKIG-AWEZNQCLSA-N 2 2 347.419 -0.775 10 0 EBAELP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1C[NH2+]C1 ZINC000263343597 154257740 /nfs/dbraw/zinc/25/77/40/154257740.db2.gz YHBRFOXVLFSKKC-AWEZNQCLSA-N 2 2 346.435 -0.382 10 0 EBAELP O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1C[NH2+]C1 ZINC000263343597 154257741 /nfs/dbraw/zinc/25/77/41/154257741.db2.gz YHBRFOXVLFSKKC-AWEZNQCLSA-N 2 2 346.435 -0.382 10 0 EBAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192802015 420718340 /nfs/dbraw/zinc/71/83/40/420718340.db2.gz MBNIKZVPOCQCMC-LSDHHAIUSA-N 2 2 328.457 -0.147 10 0 EBAELP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000329037758 421193322 /nfs/dbraw/zinc/19/33/22/421193322.db2.gz RTHXOQIIJUDZDE-ZIAGYGMSSA-N 2 2 336.440 0.382 10 0 EBAELP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000329037758 421193325 /nfs/dbraw/zinc/19/33/25/421193325.db2.gz RTHXOQIIJUDZDE-ZIAGYGMSSA-N 2 2 336.440 0.382 10 0 EBAELP COCC[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274326849 274030751 /nfs/dbraw/zinc/03/07/51/274030751.db2.gz DYDXQAPONXVCQN-CQSZACIVSA-N 2 2 348.451 -0.088 10 0 EBAELP COCC[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274326849 274030753 /nfs/dbraw/zinc/03/07/53/274030753.db2.gz DYDXQAPONXVCQN-CQSZACIVSA-N 2 2 348.451 -0.088 10 0 EBAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]21 ZINC000408042958 376293626 /nfs/dbraw/zinc/29/36/26/376293626.db2.gz NOLRQICBRDKWSH-CABCVRRESA-N 2 2 326.441 -0.177 10 0 EBAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@H]21 ZINC000408042958 376293637 /nfs/dbraw/zinc/29/36/37/376293637.db2.gz NOLRQICBRDKWSH-CABCVRRESA-N 2 2 326.441 -0.177 10 0 EBAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000156268341 379525104 /nfs/dbraw/zinc/52/51/04/379525104.db2.gz ZKNPAXAETTXVLT-GJZGRUSLSA-N 2 2 328.457 -0.025 10 0 EBAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000105105925 381249073 /nfs/dbraw/zinc/24/90/73/381249073.db2.gz ZEKCMJFUGNOJGU-JKSUJKDBSA-N 2 2 341.500 -0.112 10 0 EBAELP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288699 155218241 /nfs/dbraw/zinc/21/82/41/155218241.db2.gz QCKPEOHCFPKBBE-CABCVRRESA-N 2 2 338.452 -0.670 10 0 EBAELP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288699 155218244 /nfs/dbraw/zinc/21/82/44/155218244.db2.gz QCKPEOHCFPKBBE-CABCVRRESA-N 2 2 338.452 -0.670 10 0 EBAELP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000178884295 419777755 /nfs/dbraw/zinc/77/77/55/419777755.db2.gz DQXKXJRGVBTRFC-CVEARBPZSA-N 2 2 340.468 -0.772 10 0 EBAELP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000178884295 419777764 /nfs/dbraw/zinc/77/77/64/419777764.db2.gz DQXKXJRGVBTRFC-CVEARBPZSA-N 2 2 340.468 -0.772 10 0 EBAELP C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000079854570 545762124 /nfs/dbraw/zinc/76/21/24/545762124.db2.gz HUGWVKDMLNOPAB-UHFFFAOYSA-N 2 2 347.467 -0.008 10 0 EBAELP C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377375233 379809597 /nfs/dbraw/zinc/80/95/97/379809597.db2.gz UMTYMPPUXUOWNE-QWHCGFSZSA-N 2 2 346.497 -0.449 10 0 EBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000328613672 155185274 /nfs/dbraw/zinc/18/52/74/155185274.db2.gz QNGAMOXVFTWCAQ-PVAVHDDUSA-N 2 2 349.479 -0.020 10 0 EBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000328613672 155185275 /nfs/dbraw/zinc/18/52/75/155185275.db2.gz QNGAMOXVFTWCAQ-PVAVHDDUSA-N 2 2 349.479 -0.020 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000329156457 155208484 /nfs/dbraw/zinc/20/84/84/155208484.db2.gz BXMLVYIPIUOHDR-ILXRZTDVSA-N 2 2 338.452 -0.672 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000329156457 155208486 /nfs/dbraw/zinc/20/84/86/155208486.db2.gz BXMLVYIPIUOHDR-ILXRZTDVSA-N 2 2 338.452 -0.672 10 0 EBAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174748847 154106903 /nfs/dbraw/zinc/10/69/03/154106903.db2.gz RYHZFAFVOGDLKS-HOTGVXAUSA-N 2 2 341.500 -0.110 10 0 EBAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748847 154106907 /nfs/dbraw/zinc/10/69/07/154106907.db2.gz RYHZFAFVOGDLKS-HOTGVXAUSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174748847 154106909 /nfs/dbraw/zinc/10/69/09/154106909.db2.gz RYHZFAFVOGDLKS-HOTGVXAUSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748847 154106911 /nfs/dbraw/zinc/10/69/11/154106911.db2.gz RYHZFAFVOGDLKS-HOTGVXAUSA-N 2 2 341.500 -0.110 10 0 EBAELP Cn1cc(C[N@@H+]2CCCN(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000180479402 154128130 /nfs/dbraw/zinc/12/81/30/154128130.db2.gz JWLNCTLXAUTIQJ-UHFFFAOYSA-N 2 2 334.468 -0.298 10 0 EBAELP Cn1cc(C[N@H+]2CCCN(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000180479402 154128133 /nfs/dbraw/zinc/12/81/33/154128133.db2.gz JWLNCTLXAUTIQJ-UHFFFAOYSA-N 2 2 334.468 -0.298 10 0 EBAELP Cn1cc(CN2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000180479402 154128135 /nfs/dbraw/zinc/12/81/35/154128135.db2.gz JWLNCTLXAUTIQJ-UHFFFAOYSA-N 2 2 334.468 -0.298 10 0 EBAELP Cn1cc(CN2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000180479402 154128139 /nfs/dbraw/zinc/12/81/39/154128139.db2.gz JWLNCTLXAUTIQJ-UHFFFAOYSA-N 2 2 334.468 -0.298 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)nc[nH+]1 ZINC000189274531 154152059 /nfs/dbraw/zinc/15/20/59/154152059.db2.gz KFELIMCLYSTWFC-RWMBFGLXSA-N 2 2 334.424 -0.020 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)[nH+]cn1 ZINC000189274531 154152060 /nfs/dbraw/zinc/15/20/60/154152060.db2.gz KFELIMCLYSTWFC-RWMBFGLXSA-N 2 2 334.424 -0.020 10 0 EBAELP CN1CCC[NH+](CCOCC[N@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191081781 154157121 /nfs/dbraw/zinc/15/71/21/154157121.db2.gz DCWWLPQINHGKDZ-UHFFFAOYSA-N 2 2 326.441 -0.669 10 0 EBAELP CN1CCC[NH+](CCOCC[N@@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191081781 154157125 /nfs/dbraw/zinc/15/71/25/154157125.db2.gz DCWWLPQINHGKDZ-UHFFFAOYSA-N 2 2 326.441 -0.669 10 0 EBAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626223 154160671 /nfs/dbraw/zinc/16/06/71/154160671.db2.gz CHCOQQIYTOKWGG-IXDOHACOSA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626223 154160674 /nfs/dbraw/zinc/16/06/74/154160674.db2.gz CHCOQQIYTOKWGG-IXDOHACOSA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626223 154160678 /nfs/dbraw/zinc/16/06/78/154160678.db2.gz CHCOQQIYTOKWGG-IXDOHACOSA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626223 154160681 /nfs/dbraw/zinc/16/06/81/154160681.db2.gz CHCOQQIYTOKWGG-IXDOHACOSA-N 3 2 338.496 -0.047 10 0 EBAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246933313 154183017 /nfs/dbraw/zinc/18/30/17/154183017.db2.gz QKWZJYNHOKSHSI-LSDHHAIUSA-N 2 2 338.452 -0.636 10 0 EBAELP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246933313 154183019 /nfs/dbraw/zinc/18/30/19/154183019.db2.gz QKWZJYNHOKSHSI-LSDHHAIUSA-N 2 2 338.452 -0.636 10 0 EBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000246987925 154187773 /nfs/dbraw/zinc/18/77/73/154187773.db2.gz FWHIDXIXFVKSGZ-CABCVRRESA-N 2 2 338.452 -0.530 10 0 EBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000246987925 154187775 /nfs/dbraw/zinc/18/77/75/154187775.db2.gz FWHIDXIXFVKSGZ-CABCVRRESA-N 2 2 338.452 -0.530 10 0 EBAELP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662781855 421101250 /nfs/dbraw/zinc/10/12/50/421101250.db2.gz YLWQTFORQILAME-OWCLPIDISA-N 2 2 333.436 -0.206 10 0 EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662939499 421112486 /nfs/dbraw/zinc/11/24/86/421112486.db2.gz GOGQIFBGLGQIOU-SJORKVTESA-N 2 2 332.448 -0.093 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662939499 421112489 /nfs/dbraw/zinc/11/24/89/421112489.db2.gz GOGQIFBGLGQIOU-SJORKVTESA-N 2 2 332.448 -0.093 10 0 EBAELP C[N@H+]1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC000248127623 277215322 /nfs/dbraw/zinc/21/53/22/277215322.db2.gz MHDTXBUWAIBKOW-AEGPPILISA-N 2 2 348.426 -0.101 10 0 EBAELP C[N@@H+]1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2CN(c3ncc(F)cn3)C[C@H]21 ZINC000248127623 277215324 /nfs/dbraw/zinc/21/53/24/277215324.db2.gz MHDTXBUWAIBKOW-AEGPPILISA-N 2 2 348.426 -0.101 10 0 EBAELP CCn1cc[nH+]c1CN(C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(C(=O)COC)C2 ZINC000065381592 202838525 /nfs/dbraw/zinc/83/85/25/202838525.db2.gz WORZOUOYUYDXNP-CXAGYDPISA-N 2 2 349.435 -0.444 10 0 EBAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@@H]21 ZINC000408042963 376294620 /nfs/dbraw/zinc/29/46/20/376294620.db2.gz NOLRQICBRDKWSH-LSDHHAIUSA-N 2 2 326.441 -0.177 10 0 EBAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@@H]21 ZINC000408042963 376294628 /nfs/dbraw/zinc/29/46/28/376294628.db2.gz NOLRQICBRDKWSH-LSDHHAIUSA-N 2 2 326.441 -0.177 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181725129 380994134 /nfs/dbraw/zinc/99/41/34/380994134.db2.gz FLRHCIRWGAPPBG-HOTGVXAUSA-N 2 2 341.500 -0.280 10 0 EBAELP Cn1cc(C[N@@H+]2CCCN(C[C@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000105903513 381251915 /nfs/dbraw/zinc/25/19/15/381251915.db2.gz FYYXEIHOHZHMGK-KRWDZBQOSA-N 2 2 337.468 -0.379 10 0 EBAELP Cn1cc(C[N@H+]2CCCN(C[C@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000105903513 381251922 /nfs/dbraw/zinc/25/19/22/381251922.db2.gz FYYXEIHOHZHMGK-KRWDZBQOSA-N 2 2 337.468 -0.379 10 0 EBAELP C[NH+](C)C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000173644232 154101979 /nfs/dbraw/zinc/10/19/79/154101979.db2.gz VTKAYFVMGNBYFQ-INIZCTEOSA-N 2 2 347.463 -0.007 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1=O ZINC000174868365 154107351 /nfs/dbraw/zinc/10/73/51/154107351.db2.gz DOYXCNMMGCJEPA-UKRRQHHQSA-N 2 2 338.452 -0.624 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1=O ZINC000174868365 154107354 /nfs/dbraw/zinc/10/73/54/154107354.db2.gz DOYXCNMMGCJEPA-UKRRQHHQSA-N 2 2 338.452 -0.624 10 0 EBAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cc[nH+]1 ZINC000184983973 154138027 /nfs/dbraw/zinc/13/80/27/154138027.db2.gz SPRTWSFEDFEKGC-AWEZNQCLSA-N 2 2 334.424 -0.053 10 0 EBAELP Cc1nc(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cc[nH+]1 ZINC000184983973 154138033 /nfs/dbraw/zinc/13/80/33/154138033.db2.gz SPRTWSFEDFEKGC-AWEZNQCLSA-N 2 2 334.424 -0.053 10 0 EBAELP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000188540178 154149706 /nfs/dbraw/zinc/14/97/06/154149706.db2.gz YWTTUCZEZXKHQI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000188540178 154149709 /nfs/dbraw/zinc/14/97/09/154149709.db2.gz YWTTUCZEZXKHQI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000188540178 154149713 /nfs/dbraw/zinc/14/97/13/154149713.db2.gz YWTTUCZEZXKHQI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000188540178 154149716 /nfs/dbraw/zinc/14/97/16/154149716.db2.gz YWTTUCZEZXKHQI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000246197849 154180405 /nfs/dbraw/zinc/18/04/05/154180405.db2.gz DQXKXJRGVBTRFC-JKSUJKDBSA-N 2 2 340.468 -0.772 10 0 EBAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)C1 ZINC000246197849 154180408 /nfs/dbraw/zinc/18/04/08/154180408.db2.gz DQXKXJRGVBTRFC-JKSUJKDBSA-N 2 2 340.468 -0.772 10 0 EBAELP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000262209284 154218700 /nfs/dbraw/zinc/21/87/00/154218700.db2.gz ITBBTNKJMITPBO-SIXLDLHFSA-N 2 2 347.463 -0.098 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329136795 277089967 /nfs/dbraw/zinc/08/99/67/277089967.db2.gz RCXANXBOLASUQZ-QGZVFWFLSA-N 2 2 338.452 -0.790 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329136795 277089970 /nfs/dbraw/zinc/08/99/70/277089970.db2.gz RCXANXBOLASUQZ-QGZVFWFLSA-N 2 2 338.452 -0.790 10 0 EBAELP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000262263442 278329916 /nfs/dbraw/zinc/32/99/16/278329916.db2.gz MLBFGYXDJLZIAZ-XOUADPBQSA-N 2 2 335.452 -0.052 10 0 EBAELP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000332751766 377311327 /nfs/dbraw/zinc/31/13/27/377311327.db2.gz DQSRNEJPMNRZME-RRFJBIMHSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000332751766 377311334 /nfs/dbraw/zinc/31/13/34/377311334.db2.gz DQSRNEJPMNRZME-RRFJBIMHSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000332751766 377311341 /nfs/dbraw/zinc/31/13/41/377311341.db2.gz DQSRNEJPMNRZME-RRFJBIMHSA-N 2 2 326.441 -0.178 10 0 EBAELP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000332751766 377311347 /nfs/dbraw/zinc/31/13/47/377311347.db2.gz DQSRNEJPMNRZME-RRFJBIMHSA-N 2 2 326.441 -0.178 10 0 EBAELP C[C@@H]1C(=O)NCCC[NH+]1CCOCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249016588 296260312 /nfs/dbraw/zinc/26/03/12/296260312.db2.gz JJRLLMWDRYGZMH-ZIAGYGMSSA-N 2 2 326.441 -0.576 10 0 EBAELP C[C@@H]1C(=O)NCCC[NH+]1CCOCC[N@H+]1CCCNC(=O)[C@H]1C ZINC000249016588 296260314 /nfs/dbraw/zinc/26/03/14/296260314.db2.gz JJRLLMWDRYGZMH-ZIAGYGMSSA-N 2 2 326.441 -0.576 10 0 EBAELP C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000106529786 379140932 /nfs/dbraw/zinc/14/09/32/379140932.db2.gz RAPKCYHQJQIHOS-LSDHHAIUSA-N 2 2 327.473 -0.358 10 0 EBAELP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780780 382090082 /nfs/dbraw/zinc/09/00/82/382090082.db2.gz PQUBQXJHNBUAHW-GJZGRUSLSA-N 2 2 328.457 -0.027 10 0 EBAELP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780780 382090083 /nfs/dbraw/zinc/09/00/83/382090083.db2.gz PQUBQXJHNBUAHW-GJZGRUSLSA-N 2 2 328.457 -0.027 10 0 EBAELP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288701 155217937 /nfs/dbraw/zinc/21/79/37/155217937.db2.gz QCKPEOHCFPKBBE-HUUCEWRRSA-N 2 2 338.452 -0.670 10 0 EBAELP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288701 155217939 /nfs/dbraw/zinc/21/79/39/155217939.db2.gz QCKPEOHCFPKBBE-HUUCEWRRSA-N 2 2 338.452 -0.670 10 0 EBAELP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CC3(O)CCC3)CC2)CC1 ZINC000329809638 155239812 /nfs/dbraw/zinc/23/98/12/155239812.db2.gz QFFIGTKMJDALHS-UHFFFAOYSA-N 2 2 332.470 -0.989 10 0 EBAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2C1 ZINC000178958259 154122925 /nfs/dbraw/zinc/12/29/25/154122925.db2.gz GGUBRCCUTSOVTG-MRXNPFEDSA-N 2 2 343.431 -0.314 10 0 EBAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2C1 ZINC000178958259 154122929 /nfs/dbraw/zinc/12/29/29/154122929.db2.gz GGUBRCCUTSOVTG-MRXNPFEDSA-N 2 2 343.431 -0.314 10 0 EBAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179315982 154123638 /nfs/dbraw/zinc/12/36/38/154123638.db2.gz VBQFOJMSRSPTNM-INIZCTEOSA-N 3 2 341.500 -0.016 10 0 EBAELP O=C(CCNC(=O)[C@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000262654165 154243503 /nfs/dbraw/zinc/24/35/03/154243503.db2.gz SVGZNCGAQUMKIG-CQSZACIVSA-N 2 2 347.419 -0.775 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000333124930 419589955 /nfs/dbraw/zinc/58/99/55/419589955.db2.gz HRTSIUSXGBQMFY-STQMWFEESA-N 2 2 343.428 -0.806 10 0 EBAELP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000333124930 419589965 /nfs/dbraw/zinc/58/99/65/419589965.db2.gz HRTSIUSXGBQMFY-STQMWFEESA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000333124930 419589971 /nfs/dbraw/zinc/58/99/71/419589971.db2.gz HRTSIUSXGBQMFY-STQMWFEESA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000333124930 419589977 /nfs/dbraw/zinc/58/99/77/419589977.db2.gz HRTSIUSXGBQMFY-STQMWFEESA-N 2 2 343.428 -0.806 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000184829721 546413532 /nfs/dbraw/zinc/41/35/32/546413532.db2.gz QWHRXMODAZWJHJ-GJZGRUSLSA-N 2 2 328.457 -0.195 10 0 EBAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@@H]21 ZINC000408042960 376293669 /nfs/dbraw/zinc/29/36/69/376293669.db2.gz NOLRQICBRDKWSH-GJZGRUSLSA-N 2 2 326.441 -0.177 10 0 EBAELP C[N@H+]1CCO[C@H]2CCN(C(=O)NCCC[NH+]3CCOCC3)C[C@@H]21 ZINC000408042960 376293677 /nfs/dbraw/zinc/29/36/77/376293677.db2.gz NOLRQICBRDKWSH-GJZGRUSLSA-N 2 2 326.441 -0.177 10 0 EBAELP CC[NH+]1CCC([N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000257193616 376698493 /nfs/dbraw/zinc/69/84/93/376698493.db2.gz RTXXXRCYPAECKH-XJKSGUPXSA-N 2 2 333.436 -0.017 10 0 EBAELP CC[NH+]1CCC([N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000257193616 376698500 /nfs/dbraw/zinc/69/85/00/376698500.db2.gz RTXXXRCYPAECKH-XJKSGUPXSA-N 2 2 333.436 -0.017 10 0 EBAELP C[NH+](C)C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000105923956 381252032 /nfs/dbraw/zinc/25/20/32/381252032.db2.gz QCKTXNIPKCKXBC-HNNXBMFYSA-N 2 2 342.484 -0.524 10 0 EBAELP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3[nH]c(=O)ccc3=O)CC2)CC1 ZINC000126704120 381289137 /nfs/dbraw/zinc/28/91/37/381289137.db2.gz MZOKOKBGNDJUIL-UHFFFAOYSA-N 2 2 349.435 -0.789 10 0 EBAELP C[C@@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051463913 154087297 /nfs/dbraw/zinc/08/72/97/154087297.db2.gz ZACTXJUDSUGXAX-GFCCVEGCSA-N 2 2 346.497 -0.401 10 0 EBAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000177486214 154115321 /nfs/dbraw/zinc/11/53/21/154115321.db2.gz ROWDCRQSQVZGCJ-HNNXBMFYSA-N 2 2 326.441 -0.177 10 0 EBAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000177486214 154115326 /nfs/dbraw/zinc/11/53/26/154115326.db2.gz ROWDCRQSQVZGCJ-HNNXBMFYSA-N 2 2 326.441 -0.177 10 0 EBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000178884304 154121205 /nfs/dbraw/zinc/12/12/05/154121205.db2.gz DQXKXJRGVBTRFC-HOTGVXAUSA-N 2 2 340.468 -0.772 10 0 EBAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000178884304 154121207 /nfs/dbraw/zinc/12/12/07/154121207.db2.gz DQXKXJRGVBTRFC-HOTGVXAUSA-N 2 2 340.468 -0.772 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)ccn2)CC1 ZINC000178725232 154121237 /nfs/dbraw/zinc/12/12/37/154121237.db2.gz PGWBKWZOSATBII-MRXNPFEDSA-N 2 2 344.463 -0.437 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000246121625 154181639 /nfs/dbraw/zinc/18/16/39/154181639.db2.gz LLCGFAJKLLKDLX-ILXRZTDVSA-N 2 2 326.441 -0.321 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000246121625 154181642 /nfs/dbraw/zinc/18/16/42/154181642.db2.gz LLCGFAJKLLKDLX-ILXRZTDVSA-N 2 2 326.441 -0.321 10 0 EBAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCNC(=O)[C@H]2C)C1 ZINC000249027915 154192109 /nfs/dbraw/zinc/19/21/09/154192109.db2.gz LDQOQSQKKSEMMC-CABCVRRESA-N 2 2 340.468 -0.330 10 0 EBAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCNC(=O)[C@H]2C)C1 ZINC000249027915 154192114 /nfs/dbraw/zinc/19/21/14/154192114.db2.gz LDQOQSQKKSEMMC-CABCVRRESA-N 2 2 340.468 -0.330 10 0 EBAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000249027915 154192118 /nfs/dbraw/zinc/19/21/18/154192118.db2.gz LDQOQSQKKSEMMC-CABCVRRESA-N 2 2 340.468 -0.330 10 0 EBAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCCNC(=O)[C@H]2C)C1 ZINC000249027915 154192121 /nfs/dbraw/zinc/19/21/21/154192121.db2.gz LDQOQSQKKSEMMC-CABCVRRESA-N 2 2 340.468 -0.330 10 0 EBAELP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000262263413 154220901 /nfs/dbraw/zinc/22/09/01/154220901.db2.gz MLBFGYXDJLZIAZ-CLWVCHIJSA-N 2 2 335.452 -0.052 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000333124927 419590495 /nfs/dbraw/zinc/59/04/95/419590495.db2.gz HRTSIUSXGBQMFY-OLZOCXBDSA-N 2 2 343.428 -0.806 10 0 EBAELP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000333124927 419590499 /nfs/dbraw/zinc/59/04/99/419590499.db2.gz HRTSIUSXGBQMFY-OLZOCXBDSA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000333124927 419590503 /nfs/dbraw/zinc/59/05/03/419590503.db2.gz HRTSIUSXGBQMFY-OLZOCXBDSA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000333124927 419590509 /nfs/dbraw/zinc/59/05/09/419590509.db2.gz HRTSIUSXGBQMFY-OLZOCXBDSA-N 2 2 343.428 -0.806 10 0 EBAELP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000188540154 419792971 /nfs/dbraw/zinc/79/29/71/419792971.db2.gz YWTTUCZEZXKHQI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000188540154 419792980 /nfs/dbraw/zinc/79/29/80/419792980.db2.gz YWTTUCZEZXKHQI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000188540154 419792986 /nfs/dbraw/zinc/79/29/86/419792986.db2.gz YWTTUCZEZXKHQI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000188540154 419792991 /nfs/dbraw/zinc/79/29/91/419792991.db2.gz YWTTUCZEZXKHQI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000184829705 546413054 /nfs/dbraw/zinc/41/30/54/546413054.db2.gz QWHRXMODAZWJHJ-HUUCEWRRSA-N 2 2 328.457 -0.195 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900590132 582772987 /nfs/dbraw/zinc/77/29/87/582772987.db2.gz CLFHGNWMAOHIGC-PBHICJAKSA-N 2 2 335.452 -0.091 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900590132 582772989 /nfs/dbraw/zinc/77/29/89/582772989.db2.gz CLFHGNWMAOHIGC-PBHICJAKSA-N 2 2 335.452 -0.091 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CCO1 ZINC000907569951 650085828 /nfs/dbraw/zinc/08/58/28/650085828.db2.gz HBOOEQXKINENHS-ZNMIVQPWSA-N 2 2 338.452 -0.352 10 0 EBAELP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CCO1 ZINC000907569951 650085831 /nfs/dbraw/zinc/08/58/31/650085831.db2.gz HBOOEQXKINENHS-ZNMIVQPWSA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCO1 ZINC000907569951 650085832 /nfs/dbraw/zinc/08/58/32/650085832.db2.gz HBOOEQXKINENHS-ZNMIVQPWSA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCO1 ZINC000907569951 650085835 /nfs/dbraw/zinc/08/58/35/650085835.db2.gz HBOOEQXKINENHS-ZNMIVQPWSA-N 2 2 338.452 -0.352 10 0 EBAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000247101329 376017244 /nfs/dbraw/zinc/01/72/44/376017244.db2.gz MPXBWHGTLPKRQY-CVEARBPZSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000247101329 376017250 /nfs/dbraw/zinc/01/72/50/376017250.db2.gz MPXBWHGTLPKRQY-CVEARBPZSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000247101329 376017258 /nfs/dbraw/zinc/01/72/58/376017258.db2.gz MPXBWHGTLPKRQY-CVEARBPZSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000247101329 376017260 /nfs/dbraw/zinc/01/72/60/376017260.db2.gz MPXBWHGTLPKRQY-CVEARBPZSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000117494010 379442467 /nfs/dbraw/zinc/44/24/67/379442467.db2.gz MPXBWHGTLPKRQY-JKSUJKDBSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@H+]1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000117494010 379442475 /nfs/dbraw/zinc/44/24/75/379442475.db2.gz MPXBWHGTLPKRQY-JKSUJKDBSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000117494010 379442480 /nfs/dbraw/zinc/44/24/80/379442480.db2.gz MPXBWHGTLPKRQY-JKSUJKDBSA-N 2 2 341.500 -0.016 10 0 EBAELP COCC[N@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000117494010 379442487 /nfs/dbraw/zinc/44/24/87/379442487.db2.gz MPXBWHGTLPKRQY-JKSUJKDBSA-N 2 2 341.500 -0.016 10 0 EBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000184837392 381024913 /nfs/dbraw/zinc/02/49/13/381024913.db2.gz RDONPJIEQUHKKE-LSDHHAIUSA-N 2 2 328.457 -0.195 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000184837375 381026536 /nfs/dbraw/zinc/02/65/36/381026536.db2.gz RDONPJIEQUHKKE-GJZGRUSLSA-N 2 2 328.457 -0.195 10 0 EBAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174748822 154106247 /nfs/dbraw/zinc/10/62/47/154106247.db2.gz RYHZFAFVOGDLKS-JKSUJKDBSA-N 2 2 341.500 -0.110 10 0 EBAELP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748822 154106250 /nfs/dbraw/zinc/10/62/50/154106250.db2.gz RYHZFAFVOGDLKS-JKSUJKDBSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174748822 154106254 /nfs/dbraw/zinc/10/62/54/154106254.db2.gz RYHZFAFVOGDLKS-JKSUJKDBSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748822 154106257 /nfs/dbraw/zinc/10/62/57/154106257.db2.gz RYHZFAFVOGDLKS-JKSUJKDBSA-N 2 2 341.500 -0.110 10 0 EBAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174892173 154107240 /nfs/dbraw/zinc/10/72/40/154107240.db2.gz DBXWAVOASUPBNK-KGLIPLIRSA-N 2 2 325.457 -0.068 10 0 EBAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174892173 154107243 /nfs/dbraw/zinc/10/72/43/154107243.db2.gz DBXWAVOASUPBNK-KGLIPLIRSA-N 2 2 325.457 -0.068 10 0 EBAELP COCC[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175749657 154108700 /nfs/dbraw/zinc/10/87/00/154108700.db2.gz WMOUNLFSZMAYAA-GJZGRUSLSA-N 2 2 328.457 -0.073 10 0 EBAELP COCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000175749657 154108703 /nfs/dbraw/zinc/10/87/03/154108703.db2.gz WMOUNLFSZMAYAA-GJZGRUSLSA-N 2 2 328.457 -0.073 10 0 EBAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000173825140 420684583 /nfs/dbraw/zinc/68/45/83/420684583.db2.gz VEYDYVIRPHMQDY-CVEARBPZSA-N 2 2 341.500 -0.110 10 0 EBAELP C[C@H](C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000329503526 289262549 /nfs/dbraw/zinc/26/25/49/289262549.db2.gz GVRQQSGBUMEXJM-OAHLLOKOSA-N 2 2 341.452 -0.607 10 0 EBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000117379986 381259110 /nfs/dbraw/zinc/25/91/10/381259110.db2.gz FWHIDXIXFVKSGZ-HUUCEWRRSA-N 2 2 338.452 -0.530 10 0 EBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000117379986 381259118 /nfs/dbraw/zinc/25/91/18/381259118.db2.gz FWHIDXIXFVKSGZ-HUUCEWRRSA-N 2 2 338.452 -0.530 10 0 EBAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CSCC(N)=O)CC2)CC1 ZINC000051470852 154087537 /nfs/dbraw/zinc/08/75/37/154087537.db2.gz FZBIUZUKPWNEBL-UHFFFAOYSA-N 2 2 328.482 -0.120 10 0 EBAELP CCC[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[NH+](C)C ZINC000179358915 154125381 /nfs/dbraw/zinc/12/53/81/154125381.db2.gz GPXPSFSFQMWNCA-CABCVRRESA-N 2 2 340.468 -0.234 10 0 EBAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)C[C@@H]2C1 ZINC000193639921 154161191 /nfs/dbraw/zinc/16/11/91/154161191.db2.gz GTYOFECVZWYHNR-GASCZTMLSA-N 2 2 330.436 -0.381 10 0 EBAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(c4cnccn4)CC3)C[C@@H]2C1 ZINC000193639921 154161194 /nfs/dbraw/zinc/16/11/94/154161194.db2.gz GTYOFECVZWYHNR-GASCZTMLSA-N 2 2 330.436 -0.381 10 0 EBAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C[C@@H]2C1 ZINC000193639921 154161200 /nfs/dbraw/zinc/16/12/00/154161200.db2.gz GTYOFECVZWYHNR-GASCZTMLSA-N 2 2 330.436 -0.381 10 0 EBAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCN(c4cnccn4)CC3)C[C@@H]2C1 ZINC000193639921 154161204 /nfs/dbraw/zinc/16/12/04/154161204.db2.gz GTYOFECVZWYHNR-GASCZTMLSA-N 2 2 330.436 -0.381 10 0 EBAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000262156387 154215076 /nfs/dbraw/zinc/21/50/76/154215076.db2.gz IAQZQWAWFVKRHX-CABCVRRESA-N 2 2 335.452 -0.050 10 0 EBAELP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000262209281 154218435 /nfs/dbraw/zinc/21/84/35/154218435.db2.gz ITBBTNKJMITPBO-MXASKKJJSA-N 2 2 347.463 -0.098 10 0 EBAELP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288700 545735809 /nfs/dbraw/zinc/73/58/09/545735809.db2.gz QCKPEOHCFPKBBE-GJZGRUSLSA-N 2 2 338.452 -0.670 10 0 EBAELP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329288700 545735814 /nfs/dbraw/zinc/73/58/14/545735814.db2.gz QCKPEOHCFPKBBE-GJZGRUSLSA-N 2 2 338.452 -0.670 10 0 EBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000184829738 546413498 /nfs/dbraw/zinc/41/34/98/546413498.db2.gz QWHRXMODAZWJHJ-LSDHHAIUSA-N 2 2 328.457 -0.195 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CCO1 ZINC000907569950 650086276 /nfs/dbraw/zinc/08/62/76/650086276.db2.gz HBOOEQXKINENHS-RRFJBIMHSA-N 2 2 338.452 -0.352 10 0 EBAELP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CCO1 ZINC000907569950 650086277 /nfs/dbraw/zinc/08/62/77/650086277.db2.gz HBOOEQXKINENHS-RRFJBIMHSA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCO1 ZINC000907569950 650086278 /nfs/dbraw/zinc/08/62/78/650086278.db2.gz HBOOEQXKINENHS-RRFJBIMHSA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCO1 ZINC000907569950 650086279 /nfs/dbraw/zinc/08/62/79/650086279.db2.gz HBOOEQXKINENHS-RRFJBIMHSA-N 2 2 338.452 -0.352 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181725169 380994824 /nfs/dbraw/zinc/99/48/24/380994824.db2.gz FLRHCIRWGAPPBG-CVEARBPZSA-N 2 2 341.500 -0.280 10 0 EBAELP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000175734810 154108536 /nfs/dbraw/zinc/10/85/36/154108536.db2.gz NNJJJLIIFUHPGD-OAHLLOKOSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000175734810 154108538 /nfs/dbraw/zinc/10/85/38/154108538.db2.gz NNJJJLIIFUHPGD-OAHLLOKOSA-N 2 2 327.473 -0.358 10 0 EBAELP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000177298506 154114734 /nfs/dbraw/zinc/11/47/34/154114734.db2.gz AQJXXLCIWQHFGZ-HUUCEWRRSA-N 2 2 326.441 -0.319 10 0 EBAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)nc[nH+]1 ZINC000245432971 154180323 /nfs/dbraw/zinc/18/03/23/154180323.db2.gz OZDRNXMKUSXUBU-CHWSQXEVSA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)nc[nH+]1 ZINC000245432971 154180327 /nfs/dbraw/zinc/18/03/27/154180327.db2.gz OZDRNXMKUSXUBU-CHWSQXEVSA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)[nH+]cn1 ZINC000245432971 154180328 /nfs/dbraw/zinc/18/03/28/154180328.db2.gz OZDRNXMKUSXUBU-CHWSQXEVSA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH+]cn1 ZINC000245432971 154180334 /nfs/dbraw/zinc/18/03/34/154180334.db2.gz OZDRNXMKUSXUBU-CHWSQXEVSA-N 2 2 334.424 -0.066 10 0 EBAELP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000262263423 154221964 /nfs/dbraw/zinc/22/19/64/154221964.db2.gz MLBFGYXDJLZIAZ-UGQVUOCMSA-N 2 2 335.452 -0.052 10 0 EBAELP CN1CCN(c2cc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)nc[nH+]2)CC1=O ZINC000359804756 157344857 /nfs/dbraw/zinc/34/48/57/157344857.db2.gz RDUHVKSAYVDOAC-CHWSQXEVSA-N 2 2 332.408 -0.726 10 0 EBAELP CN1CCN(c2cc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)nc[nH+]2)CC1=O ZINC000359804756 157344858 /nfs/dbraw/zinc/34/48/58/157344858.db2.gz RDUHVKSAYVDOAC-CHWSQXEVSA-N 2 2 332.408 -0.726 10 0 EBAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192801988 420717688 /nfs/dbraw/zinc/71/76/88/420717688.db2.gz MBNIKZVPOCQCMC-GJZGRUSLSA-N 2 2 328.457 -0.147 10 0 EBAELP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000329037756 421194111 /nfs/dbraw/zinc/19/41/11/421194111.db2.gz RTHXOQIIJUDZDE-UONOGXRCSA-N 2 2 336.440 0.382 10 0 EBAELP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000329037756 421194113 /nfs/dbraw/zinc/19/41/13/421194113.db2.gz RTHXOQIIJUDZDE-UONOGXRCSA-N 2 2 336.440 0.382 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CCO1 ZINC000907569948 650086183 /nfs/dbraw/zinc/08/61/83/650086183.db2.gz HBOOEQXKINENHS-KFWWJZLASA-N 2 2 338.452 -0.352 10 0 EBAELP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CCO1 ZINC000907569948 650086184 /nfs/dbraw/zinc/08/61/84/650086184.db2.gz HBOOEQXKINENHS-KFWWJZLASA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCO1 ZINC000907569948 650086186 /nfs/dbraw/zinc/08/61/86/650086186.db2.gz HBOOEQXKINENHS-KFWWJZLASA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCO1 ZINC000907569948 650086188 /nfs/dbraw/zinc/08/61/88/650086188.db2.gz HBOOEQXKINENHS-KFWWJZLASA-N 2 2 338.452 -0.352 10 0 EBAELP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408031914 376290023 /nfs/dbraw/zinc/29/00/23/376290023.db2.gz QHSAGCRFJTUUHE-HZPDHXFCSA-N 2 2 349.479 -0.859 10 0 EBAELP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408031914 376290033 /nfs/dbraw/zinc/29/00/33/376290033.db2.gz QHSAGCRFJTUUHE-HZPDHXFCSA-N 2 2 349.479 -0.859 10 0 EBAELP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105112160 377361066 /nfs/dbraw/zinc/36/10/66/377361066.db2.gz FPWPFJXQPLHDIO-HNNXBMFYSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105112160 377361077 /nfs/dbraw/zinc/36/10/77/377361077.db2.gz FPWPFJXQPLHDIO-HNNXBMFYSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CC(=O)NC(=O)C3)CC2)CC1 ZINC000171291606 154094127 /nfs/dbraw/zinc/09/41/27/154094127.db2.gz ZQDOLTKQQHXWIQ-UHFFFAOYSA-N 2 2 336.436 -0.286 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1=O ZINC000174868382 154106192 /nfs/dbraw/zinc/10/61/92/154106192.db2.gz DOYXCNMMGCJEPA-HIFRSBDPSA-N 2 2 338.452 -0.624 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1=O ZINC000174868382 154106196 /nfs/dbraw/zinc/10/61/96/154106196.db2.gz DOYXCNMMGCJEPA-HIFRSBDPSA-N 2 2 338.452 -0.624 10 0 EBAELP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2C1 ZINC000178958273 154122563 /nfs/dbraw/zinc/12/25/63/154122563.db2.gz GGUBRCCUTSOVTG-INIZCTEOSA-N 2 2 343.431 -0.314 10 0 EBAELP C[N@H+]1Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2C1 ZINC000178958273 154122566 /nfs/dbraw/zinc/12/25/66/154122566.db2.gz GGUBRCCUTSOVTG-INIZCTEOSA-N 2 2 343.431 -0.314 10 0 EBAELP O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000185130104 154141642 /nfs/dbraw/zinc/14/16/42/154141642.db2.gz UWGTUEWHOODFBO-KGLIPLIRSA-N 2 2 339.461 -0.180 10 0 EBAELP O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000185130104 154141646 /nfs/dbraw/zinc/14/16/46/154141646.db2.gz UWGTUEWHOODFBO-KGLIPLIRSA-N 2 2 339.461 -0.180 10 0 EBAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408072313 276918050 /nfs/dbraw/zinc/91/80/50/276918050.db2.gz RIYMSMRESAPCEN-STQMWFEESA-N 2 2 332.470 -0.790 10 0 EBAELP C[C@@H]1C[NH+](CCS(=O)(=O)CC[N@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000190853306 649982296 /nfs/dbraw/zinc/98/22/96/649982296.db2.gz TXDGNTAPQBBAHH-WCVJEAGWSA-N 2 2 348.509 -0.478 10 0 EBAELP C[C@@H]1C[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000190853306 649982298 /nfs/dbraw/zinc/98/22/98/649982298.db2.gz TXDGNTAPQBBAHH-WCVJEAGWSA-N 2 2 348.509 -0.478 10 0 EBAELP C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000408027583 376287147 /nfs/dbraw/zinc/28/71/47/376287147.db2.gz MCQJUHHZTFQATL-HUUCEWRRSA-N 2 2 347.481 -0.557 10 0 EBAELP C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000408027583 376287150 /nfs/dbraw/zinc/28/71/50/376287150.db2.gz MCQJUHHZTFQATL-HUUCEWRRSA-N 2 2 347.481 -0.557 10 0 EBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000106529783 379141385 /nfs/dbraw/zinc/14/13/85/379141385.db2.gz RAPKCYHQJQIHOS-GJZGRUSLSA-N 2 2 327.473 -0.358 10 0 EBAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188955201 381111285 /nfs/dbraw/zinc/11/12/85/381111285.db2.gz LMJQSWVXIRIHCO-AWEZNQCLSA-N 2 2 346.435 -0.566 10 0 EBAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188955201 381111291 /nfs/dbraw/zinc/11/12/91/381111291.db2.gz LMJQSWVXIRIHCO-AWEZNQCLSA-N 2 2 346.435 -0.566 10 0 EBAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000105279301 381249675 /nfs/dbraw/zinc/24/96/75/381249675.db2.gz NNYVWRHZWBDCTF-MRXNPFEDSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000105279301 381249676 /nfs/dbraw/zinc/24/96/76/381249676.db2.gz NNYVWRHZWBDCTF-MRXNPFEDSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279301 381249678 /nfs/dbraw/zinc/24/96/78/381249678.db2.gz NNYVWRHZWBDCTF-MRXNPFEDSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279301 381249679 /nfs/dbraw/zinc/24/96/79/381249679.db2.gz NNYVWRHZWBDCTF-MRXNPFEDSA-N 3 2 341.500 -0.016 10 0 EBAELP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000328931569 155196241 /nfs/dbraw/zinc/19/62/41/155196241.db2.gz HYPWUFGKUYCWKJ-GJZGRUSLSA-N 2 2 338.452 -0.528 10 0 EBAELP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000328931569 155196245 /nfs/dbraw/zinc/19/62/45/155196245.db2.gz HYPWUFGKUYCWKJ-GJZGRUSLSA-N 2 2 338.452 -0.528 10 0 EBAELP CN(C)C(=O)[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000181776043 154132793 /nfs/dbraw/zinc/13/27/93/154132793.db2.gz JUYDUTUBRUYBED-HUUCEWRRSA-N 2 2 340.468 -0.548 10 0 EBAELP CN(C)C(=O)[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000181776043 154132795 /nfs/dbraw/zinc/13/27/95/154132795.db2.gz JUYDUTUBRUYBED-HUUCEWRRSA-N 2 2 340.468 -0.548 10 0 EBAELP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245415272 154179749 /nfs/dbraw/zinc/17/97/49/154179749.db2.gz DBXWAVOASUPBNK-ZIAGYGMSSA-N 2 2 325.457 -0.068 10 0 EBAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245415272 154179752 /nfs/dbraw/zinc/17/97/52/154179752.db2.gz DBXWAVOASUPBNK-ZIAGYGMSSA-N 2 2 325.457 -0.068 10 0 EBAELP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175749676 419771637 /nfs/dbraw/zinc/77/16/37/419771637.db2.gz WMOUNLFSZMAYAA-HUUCEWRRSA-N 2 2 328.457 -0.073 10 0 EBAELP COCC[N@@H+](C)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175749676 419771645 /nfs/dbraw/zinc/77/16/45/419771645.db2.gz WMOUNLFSZMAYAA-HUUCEWRRSA-N 2 2 328.457 -0.073 10 0 EBAELP CN(CC(=O)N1CCOCC1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176912499 419772334 /nfs/dbraw/zinc/77/23/34/419772334.db2.gz JULDUWICPWEDSN-UHFFFAOYSA-N 2 2 349.435 -0.163 10 0 EBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192802026 420716385 /nfs/dbraw/zinc/71/63/85/420716385.db2.gz MBNIKZVPOCQCMC-HUUCEWRRSA-N 2 2 328.457 -0.147 10 0 EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000662939489 421113234 /nfs/dbraw/zinc/11/32/34/421113234.db2.gz GNFVTPSECYBLDH-HUUCEWRRSA-N 2 2 333.436 -0.879 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CC(N)=O)C1 ZINC000662939489 421113238 /nfs/dbraw/zinc/11/32/38/421113238.db2.gz GNFVTPSECYBLDH-HUUCEWRRSA-N 2 2 333.436 -0.879 10 0 EBAELP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000408031916 376290221 /nfs/dbraw/zinc/29/02/21/376290221.db2.gz QHSAGCRFJTUUHE-JKSUJKDBSA-N 2 2 349.479 -0.859 10 0 EBAELP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000408031916 376290225 /nfs/dbraw/zinc/29/02/25/376290225.db2.gz QHSAGCRFJTUUHE-JKSUJKDBSA-N 2 2 349.479 -0.859 10 0 EBAELP COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)CC1 ZINC000011714973 211240229 /nfs/dbraw/zinc/24/02/29/211240229.db2.gz JBQSXDKZAIGFGW-CQSZACIVSA-N 2 2 326.441 -0.624 10 0 EBAELP COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)CC1 ZINC000011714973 211240232 /nfs/dbraw/zinc/24/02/32/211240232.db2.gz JBQSXDKZAIGFGW-CQSZACIVSA-N 2 2 326.441 -0.624 10 0 EBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000181725150 380994943 /nfs/dbraw/zinc/99/49/43/380994943.db2.gz FLRHCIRWGAPPBG-JKSUJKDBSA-N 2 2 341.500 -0.280 10 0 EBAELP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000328946428 155198143 /nfs/dbraw/zinc/19/81/43/155198143.db2.gz VKGOVCKRWUYISG-CABCVRRESA-N 2 2 338.452 -0.670 10 0 EBAELP 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ZINC000189274502 154151158 /nfs/dbraw/zinc/15/11/58/154151158.db2.gz KFELIMCLYSTWFC-FRRDWIJNSA-N 2 2 334.424 -0.020 10 0 EBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192802000 420717789 /nfs/dbraw/zinc/71/77/89/420717789.db2.gz MBNIKZVPOCQCMC-CABCVRRESA-N 2 2 328.457 -0.147 10 0 EBAELP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662781852 421100607 /nfs/dbraw/zinc/10/06/07/421100607.db2.gz YLWQTFORQILAME-BZUAXINKSA-N 2 2 333.436 -0.206 10 0 EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662939493 421112869 /nfs/dbraw/zinc/11/28/69/421112869.db2.gz GOGQIFBGLGQIOU-DLBZAZTESA-N 2 2 332.448 -0.093 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662939493 421112874 /nfs/dbraw/zinc/11/28/74/421112874.db2.gz GOGQIFBGLGQIOU-DLBZAZTESA-N 2 2 332.448 -0.093 10 0 EBAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408078070 277237234 /nfs/dbraw/zinc/23/72/34/277237234.db2.gz 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C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408072307 376303542 /nfs/dbraw/zinc/30/35/42/376303542.db2.gz RIYMSMRESAPCEN-CHWSQXEVSA-N 2 2 332.470 -0.790 10 0 EBAELP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105112155 377361834 /nfs/dbraw/zinc/36/18/34/377361834.db2.gz FPWPFJXQPLHDIO-OAHLLOKOSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105112155 377361844 /nfs/dbraw/zinc/36/18/44/377361844.db2.gz FPWPFJXQPLHDIO-OAHLLOKOSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)ccn2)CC1 ZINC000112280431 378712367 /nfs/dbraw/zinc/71/23/67/378712367.db2.gz DKRRPCOZYYSGBB-HNNXBMFYSA-N 2 2 333.436 -0.106 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccn2)CC1 ZINC000112280431 378712372 /nfs/dbraw/zinc/71/23/72/378712372.db2.gz DKRRPCOZYYSGBB-HNNXBMFYSA-N 2 2 333.436 -0.106 10 0 EBAELP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780772 382090865 /nfs/dbraw/zinc/09/08/65/382090865.db2.gz PQUBQXJHNBUAHW-CABCVRRESA-N 2 2 328.457 -0.027 10 0 EBAELP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780772 382090872 /nfs/dbraw/zinc/09/08/72/382090872.db2.gz PQUBQXJHNBUAHW-CABCVRRESA-N 2 2 328.457 -0.027 10 0 EBAELP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000175734835 154109936 /nfs/dbraw/zinc/10/99/36/154109936.db2.gz NNJJJLIIFUHPGD-HNNXBMFYSA-N 2 2 327.473 -0.358 10 0 EBAELP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000175734835 154109939 /nfs/dbraw/zinc/10/99/39/154109939.db2.gz NNJJJLIIFUHPGD-HNNXBMFYSA-N 2 2 327.473 -0.358 10 0 EBAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261768899 154199479 /nfs/dbraw/zinc/19/94/79/154199479.db2.gz ODFFMLYDRHLLHI-QLFBSQMISA-N 2 2 338.452 -0.589 10 0 EBAELP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261913374 154205183 /nfs/dbraw/zinc/20/51/83/154205183.db2.gz XUUGANUBLOJKFU-CQSZACIVSA-N 2 2 339.484 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C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249175521 300246001 /nfs/dbraw/zinc/24/60/01/300246001.db2.gz YWTTUCZEZXKHQI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000249175521 300246003 /nfs/dbraw/zinc/24/60/03/300246003.db2.gz YWTTUCZEZXKHQI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000249175521 300246005 /nfs/dbraw/zinc/24/60/05/300246005.db2.gz YWTTUCZEZXKHQI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000249175521 300246006 /nfs/dbraw/zinc/24/60/06/300246006.db2.gz YWTTUCZEZXKHQI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)C1 ZINC000081385824 376991358 /nfs/dbraw/zinc/99/13/58/376991358.db2.gz CGADUYRZJVFFTK-AWEZNQCLSA-N 2 2 338.452 -0.351 10 0 EBAELP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)C1 ZINC000081385824 376991365 /nfs/dbraw/zinc/99/13/65/376991365.db2.gz CGADUYRZJVFFTK-AWEZNQCLSA-N 2 2 338.452 -0.351 10 0 EBAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188955182 381113034 /nfs/dbraw/zinc/11/30/34/381113034.db2.gz LMJQSWVXIRIHCO-CQSZACIVSA-N 2 2 346.435 -0.566 10 0 EBAELP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188955182 381113042 /nfs/dbraw/zinc/11/30/42/381113042.db2.gz LMJQSWVXIRIHCO-CQSZACIVSA-N 2 2 346.435 -0.566 10 0 EBAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CCO1 ZINC000092079741 381874702 /nfs/dbraw/zinc/87/47/02/381874702.db2.gz DNWFYQCUMWBUQU-CYBMUJFWSA-N 2 2 336.436 -0.231 10 0 EBAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CCO1 ZINC000092079741 381874708 /nfs/dbraw/zinc/87/47/08/381874708.db2.gz DNWFYQCUMWBUQU-CYBMUJFWSA-N 2 2 336.436 -0.231 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000249083472 382164104 /nfs/dbraw/zinc/16/41/04/382164104.db2.gz DLIUPXIUGISLAI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000249083472 382164110 /nfs/dbraw/zinc/16/41/10/382164110.db2.gz DLIUPXIUGISLAI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249083472 382164114 /nfs/dbraw/zinc/16/41/14/382164114.db2.gz DLIUPXIUGISLAI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249083472 382164117 /nfs/dbraw/zinc/16/41/17/382164117.db2.gz DLIUPXIUGISLAI-KBPBESRZSA-N 2 2 328.457 -0.196 10 0 EBAELP CN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000050798858 154087580 /nfs/dbraw/zinc/08/75/80/154087580.db2.gz NAZKAVLGIOXLCY-UHFFFAOYSA-N 2 2 346.497 -0.447 10 0 EBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCS(N)(=O)=O)CC2)C1 ZINC000171575127 154095429 /nfs/dbraw/zinc/09/54/29/154095429.db2.gz AZCYHRAADSNCKL-OAHLLOKOSA-N 2 2 348.513 -0.608 10 0 EBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCS(N)(=O)=O)CC2)C1 ZINC000171575127 154095430 /nfs/dbraw/zinc/09/54/30/154095430.db2.gz AZCYHRAADSNCKL-OAHLLOKOSA-N 2 2 348.513 -0.608 10 0 EBAELP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174879585 154107710 /nfs/dbraw/zinc/10/77/10/154107710.db2.gz MJIHLETXKXUTPN-AWEZNQCLSA-N 2 2 325.457 -0.066 10 0 EBAELP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174879585 154107711 /nfs/dbraw/zinc/10/77/11/154107711.db2.gz MJIHLETXKXUTPN-AWEZNQCLSA-N 2 2 325.457 -0.066 10 0 EBAELP O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000185170542 154139668 /nfs/dbraw/zinc/13/96/68/154139668.db2.gz TUPNBLRTXYBNJZ-HUUCEWRRSA-N 2 2 334.420 -0.452 10 0 EBAELP O=C(CC[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(c2cccc[nH+]2)CC1 ZINC000185170542 154139673 /nfs/dbraw/zinc/13/96/73/154139673.db2.gz TUPNBLRTXYBNJZ-HUUCEWRRSA-N 2 2 334.420 -0.452 10 0 EBAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCOCC1 ZINC000173825099 420685051 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10 0 EBAELP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078067 277236433 /nfs/dbraw/zinc/23/64/33/277236433.db2.gz AJMZHABEGYUXKX-CHWSQXEVSA-N 2 2 325.457 -0.069 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900590135 582772948 /nfs/dbraw/zinc/77/29/48/582772948.db2.gz CLFHGNWMAOHIGC-RHSMWYFYSA-N 2 2 335.452 -0.091 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900590135 582772951 /nfs/dbraw/zinc/77/29/51/582772951.db2.gz CLFHGNWMAOHIGC-RHSMWYFYSA-N 2 2 335.452 -0.091 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccn2)CC1 ZINC000112280429 378713791 /nfs/dbraw/zinc/71/37/91/378713791.db2.gz DKRRPCOZYYSGBB-OAHLLOKOSA-N 2 2 333.436 -0.106 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccn2)CC1 ZINC000112280429 378713801 /nfs/dbraw/zinc/71/38/01/378713801.db2.gz DKRRPCOZYYSGBB-OAHLLOKOSA-N 2 2 333.436 -0.106 10 0 EBAELP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274397132 379687109 /nfs/dbraw/zinc/68/71/09/379687109.db2.gz XCSMCDTVCAZLRV-KGLIPLIRSA-N 2 2 348.451 -0.354 10 0 EBAELP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274397132 379687114 /nfs/dbraw/zinc/68/71/14/379687114.db2.gz XCSMCDTVCAZLRV-KGLIPLIRSA-N 2 2 348.451 -0.354 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000184837412 381026794 /nfs/dbraw/zinc/02/67/94/381026794.db2.gz RDONPJIEQUHKKE-CABCVRRESA-N 2 2 328.457 -0.195 10 0 EBAELP C[NH+](C)C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000173644221 154100936 /nfs/dbraw/zinc/10/09/36/154100936.db2.gz VTKAYFVMGNBYFQ-MRXNPFEDSA-N 2 2 347.463 -0.007 10 0 EBAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174892155 154107160 /nfs/dbraw/zinc/10/71/60/154107160.db2.gz DBXWAVOASUPBNK-KBPBESRZSA-N 2 2 325.457 -0.068 10 0 EBAELP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174892155 154107166 /nfs/dbraw/zinc/10/71/66/154107166.db2.gz DBXWAVOASUPBNK-KBPBESRZSA-N 2 2 325.457 -0.068 10 0 EBAELP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174748835 154107625 /nfs/dbraw/zinc/10/76/25/154107625.db2.gz RYHZFAFVOGDLKS-HZPDHXFCSA-N 2 2 341.500 -0.110 10 0 EBAELP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748835 154107627 /nfs/dbraw/zinc/10/76/27/154107627.db2.gz RYHZFAFVOGDLKS-HZPDHXFCSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174748835 154107630 /nfs/dbraw/zinc/10/76/30/154107630.db2.gz RYHZFAFVOGDLKS-HZPDHXFCSA-N 2 2 341.500 -0.110 10 0 EBAELP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174748835 154107633 /nfs/dbraw/zinc/10/76/33/154107633.db2.gz RYHZFAFVOGDLKS-HZPDHXFCSA-N 2 2 341.500 -0.110 10 0 EBAELP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000177298490 154114160 /nfs/dbraw/zinc/11/41/60/154114160.db2.gz AQJXXLCIWQHFGZ-GJZGRUSLSA-N 2 2 326.441 -0.319 10 0 EBAELP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178958787 154123520 /nfs/dbraw/zinc/12/35/20/154123520.db2.gz ZJINVQWDOWSGCR-MRXNPFEDSA-N 2 2 345.447 -0.197 10 0 EBAELP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903129 154134299 /nfs/dbraw/zinc/13/42/99/154134299.db2.gz ATVAAZFLDIOCTG-OAHLLOKOSA-N 2 2 340.468 -0.232 10 0 EBAELP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903129 154134304 /nfs/dbraw/zinc/13/43/04/154134304.db2.gz ATVAAZFLDIOCTG-OAHLLOKOSA-N 2 2 340.468 -0.232 10 0 EBAELP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182903149 154134438 /nfs/dbraw/zinc/13/44/38/154134438.db2.gz ATVAAZFLDIOCTG-HNNXBMFYSA-N 2 2 340.468 -0.232 10 0 EBAELP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182903149 154134441 /nfs/dbraw/zinc/13/44/41/154134441.db2.gz ATVAAZFLDIOCTG-HNNXBMFYSA-N 2 2 340.468 -0.232 10 0 EBAELP C[C@@H]1C(=O)NCCC[N@H+]1CCOCC[NH+]1CCCNC(=O)[C@@H]1C ZINC000189283798 154151811 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EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662939494 421111948 /nfs/dbraw/zinc/11/19/48/421111948.db2.gz GOGQIFBGLGQIOU-IAGOWNOFSA-N 2 2 332.448 -0.093 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000662939494 421111952 /nfs/dbraw/zinc/11/19/52/421111952.db2.gz GOGQIFBGLGQIOU-IAGOWNOFSA-N 2 2 332.448 -0.093 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900590139 582773067 /nfs/dbraw/zinc/77/30/67/582773067.db2.gz CLFHGNWMAOHIGC-YOEHRIQHSA-N 2 2 335.452 -0.091 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900590139 582773069 /nfs/dbraw/zinc/77/30/69/582773069.db2.gz CLFHGNWMAOHIGC-YOEHRIQHSA-N 2 2 335.452 -0.091 10 0 EBAELP COCCN(CCOC)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040751942 213382211 /nfs/dbraw/zinc/38/22/11/213382211.db2.gz BVUSYIUGKRJVTG-UHFFFAOYSA-N 2 2 339.444 -0.268 10 0 EBAELP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)C1 ZINC000081385825 376993535 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/nfs/dbraw/zinc/31/07/75/377310775.db2.gz SINBNMZMZPWYOI-QLFBSQMISA-N 2 2 325.457 -0.653 10 0 EBAELP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000156268079 379523984 /nfs/dbraw/zinc/52/39/84/379523984.db2.gz ZKNPAXAETTXVLT-LSDHHAIUSA-N 2 2 328.457 -0.025 10 0 EBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000184683618 381023913 /nfs/dbraw/zinc/02/39/13/381023913.db2.gz SOVJKJLAHYHPSU-OAHLLOKOSA-N 2 2 328.457 -0.193 10 0 EBAELP COCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000332908719 545848337 /nfs/dbraw/zinc/84/83/37/545848337.db2.gz XBESSJBODMHYMB-GJZGRUSLSA-N 2 2 327.473 -0.406 10 0 EBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C[C@@H]1C ZINC000332908719 545848347 /nfs/dbraw/zinc/84/83/47/545848347.db2.gz XBESSJBODMHYMB-GJZGRUSLSA-N 2 2 327.473 -0.406 10 0 EBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C[C@@H]1C ZINC000332908719 545848355 /nfs/dbraw/zinc/84/83/55/545848355.db2.gz XBESSJBODMHYMB-GJZGRUSLSA-N 2 2 327.473 -0.406 10 0 EBAELP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)ccn2)CC1 ZINC000178725245 154120863 /nfs/dbraw/zinc/12/08/63/154120863.db2.gz PGWBKWZOSATBII-INIZCTEOSA-N 2 2 344.463 -0.437 10 0 EBAELP O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000185130082 154140048 /nfs/dbraw/zinc/14/00/48/154140048.db2.gz UWGTUEWHOODFBO-ZIAGYGMSSA-N 2 2 339.461 -0.180 10 0 EBAELP O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000185130082 154140051 /nfs/dbraw/zinc/14/00/51/154140051.db2.gz UWGTUEWHOODFBO-ZIAGYGMSSA-N 2 2 339.461 -0.180 10 0 EBAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237027825 154169990 /nfs/dbraw/zinc/16/99/90/154169990.db2.gz XXENQRQSJOOFHO-CQSZACIVSA-N 2 2 326.441 -0.623 10 0 EBAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237027825 154169993 /nfs/dbraw/zinc/16/99/93/154169993.db2.gz XXENQRQSJOOFHO-CQSZACIVSA-N 2 2 326.441 -0.623 10 0 EBAELP C[NH+](C)C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179315972 289198164 /nfs/dbraw/zinc/19/81/64/289198164.db2.gz VBQFOJMSRSPTNM-MRXNPFEDSA-N 3 2 341.500 -0.016 10 0 EBAELP COCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCN2C)C[C@@H]1C ZINC000332908719 545848327 /nfs/dbraw/zinc/84/83/27/545848327.db2.gz XBESSJBODMHYMB-GJZGRUSLSA-N 2 2 327.473 -0.406 10 0 EBAELP COCC[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000274326848 379681982 /nfs/dbraw/zinc/68/19/82/379681982.db2.gz DYDXQAPONXVCQN-AWEZNQCLSA-N 2 2 348.451 -0.088 10 0 EBAELP COCC[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000274326848 379681995 /nfs/dbraw/zinc/68/19/95/379681995.db2.gz DYDXQAPONXVCQN-AWEZNQCLSA-N 2 2 348.451 -0.088 10 0 EBAELP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCN(C)CC1 ZINC000105105929 381249734 /nfs/dbraw/zinc/24/97/34/381249734.db2.gz ZEKCMJFUGNOJGU-HOTGVXAUSA-N 2 2 341.500 -0.112 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329143688 155208713 /nfs/dbraw/zinc/20/87/13/155208713.db2.gz MINCCHGWWWINSV-GFCCVEGCSA-N 2 2 334.424 -0.538 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329143688 155208717 /nfs/dbraw/zinc/20/87/17/155208717.db2.gz MINCCHGWWWINSV-GFCCVEGCSA-N 2 2 334.424 -0.538 10 0 EBAELP O=C(NCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173780517 154101348 /nfs/dbraw/zinc/10/13/48/154101348.db2.gz HPSAJIJHSDCQJU-OAHLLOKOSA-N 2 2 326.441 -0.175 10 0 EBAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000177486190 154116249 /nfs/dbraw/zinc/11/62/49/154116249.db2.gz ROWDCRQSQVZGCJ-OAHLLOKOSA-N 2 2 326.441 -0.177 10 0 EBAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000177486190 154116250 /nfs/dbraw/zinc/11/62/50/154116250.db2.gz ROWDCRQSQVZGCJ-OAHLLOKOSA-N 2 2 326.441 -0.177 10 0 EBAELP CC(=O)N[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000181784558 154132704 /nfs/dbraw/zinc/13/27/04/154132704.db2.gz GRAKINVXNHNLCM-HOTGVXAUSA-N 2 2 340.468 -0.452 10 0 EBAELP CC(=O)N[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000181784558 154132705 /nfs/dbraw/zinc/13/27/05/154132705.db2.gz GRAKINVXNHNLCM-HOTGVXAUSA-N 2 2 340.468 -0.452 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000249083480 420522499 /nfs/dbraw/zinc/52/24/99/420522499.db2.gz DLIUPXIUGISLAI-KGLIPLIRSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000249083480 420522504 /nfs/dbraw/zinc/52/25/04/420522504.db2.gz DLIUPXIUGISLAI-KGLIPLIRSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249083480 420522505 /nfs/dbraw/zinc/52/25/05/420522505.db2.gz DLIUPXIUGISLAI-KGLIPLIRSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000249083480 420522511 /nfs/dbraw/zinc/52/25/11/420522511.db2.gz DLIUPXIUGISLAI-KGLIPLIRSA-N 2 2 328.457 -0.196 10 0 EBAELP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000248855384 303452108 /nfs/dbraw/zinc/45/21/08/303452108.db2.gz CSNPYHRUCBWRHF-ZNMIVQPWSA-N 2 2 338.452 -0.447 10 0 EBAELP CC[NH+]1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000080068233 545763511 /nfs/dbraw/zinc/76/35/11/545763511.db2.gz LXSRUCGEFNPOAC-UHFFFAOYSA-N 2 2 347.467 -0.054 10 0 EBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332908991 545848779 /nfs/dbraw/zinc/84/87/79/545848779.db2.gz VOQYCILSSSLISB-HOTGVXAUSA-N 2 2 339.484 -0.262 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900590137 582773076 /nfs/dbraw/zinc/77/30/76/582773076.db2.gz CLFHGNWMAOHIGC-WMLDXEAASA-N 2 2 335.452 -0.091 10 0 EBAELP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900590137 582773077 /nfs/dbraw/zinc/77/30/77/582773077.db2.gz CLFHGNWMAOHIGC-WMLDXEAASA-N 2 2 335.452 -0.091 10 0 EBAELP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377375234 299335042 /nfs/dbraw/zinc/33/50/42/299335042.db2.gz UMTYMPPUXUOWNE-STQMWFEESA-N 2 2 346.497 -0.449 10 0 EBAELP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377375234 299335045 /nfs/dbraw/zinc/33/50/45/299335045.db2.gz UMTYMPPUXUOWNE-STQMWFEESA-N 2 2 346.497 -0.449 10 0 EBAELP C[C@@H](O)C[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274397138 379687951 /nfs/dbraw/zinc/68/79/51/379687951.db2.gz XCSMCDTVCAZLRV-ZIAGYGMSSA-N 2 2 348.451 -0.354 10 0 EBAELP C[C@@H](O)C[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@H]1C ZINC000274397138 379687958 /nfs/dbraw/zinc/68/79/58/379687958.db2.gz XCSMCDTVCAZLRV-ZIAGYGMSSA-N 2 2 348.451 -0.354 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274889735 379719824 /nfs/dbraw/zinc/71/98/24/379719824.db2.gz JBNMMQRRYNOKQX-AWEZNQCLSA-N 2 2 348.451 -0.352 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000093191235 381881106 /nfs/dbraw/zinc/88/11/06/381881106.db2.gz CIQULTFLQNJMAA-CQSZACIVSA-N 2 2 344.481 -0.740 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000093191235 381881116 /nfs/dbraw/zinc/88/11/16/381881116.db2.gz CIQULTFLQNJMAA-CQSZACIVSA-N 2 2 344.481 -0.740 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000093191234 381881312 /nfs/dbraw/zinc/88/13/12/381881312.db2.gz CIQULTFLQNJMAA-AWEZNQCLSA-N 2 2 344.481 -0.740 10 0 EBAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000093191234 381881324 /nfs/dbraw/zinc/88/13/24/381881324.db2.gz CIQULTFLQNJMAA-AWEZNQCLSA-N 2 2 344.481 -0.740 10 0 EBAELP C[C@H](NS(C)(=O)=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051463911 154087422 /nfs/dbraw/zinc/08/74/22/154087422.db2.gz ZACTXJUDSUGXAX-LBPRGKRZSA-N 2 2 346.497 -0.401 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000175762117 154109707 /nfs/dbraw/zinc/10/97/07/154109707.db2.gz LLCGFAJKLLKDLX-KFWWJZLASA-N 2 2 326.441 -0.321 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000175762117 154109708 /nfs/dbraw/zinc/10/97/08/154109708.db2.gz LLCGFAJKLLKDLX-KFWWJZLASA-N 2 2 326.441 -0.321 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1=O ZINC000329156459 419555850 /nfs/dbraw/zinc/55/58/50/419555850.db2.gz BXMLVYIPIUOHDR-QLFBSQMISA-N 2 2 338.452 -0.672 10 0 EBAELP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1=O ZINC000329156459 419555857 /nfs/dbraw/zinc/55/58/57/419555857.db2.gz BXMLVYIPIUOHDR-QLFBSQMISA-N 2 2 338.452 -0.672 10 0 EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000662939488 421112634 /nfs/dbraw/zinc/11/26/34/421112634.db2.gz GNFVTPSECYBLDH-GJZGRUSLSA-N 2 2 333.436 -0.879 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)C1 ZINC000662939488 421112636 /nfs/dbraw/zinc/11/26/36/421112636.db2.gz GNFVTPSECYBLDH-GJZGRUSLSA-N 2 2 333.436 -0.879 10 0 EBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332908993 545848820 /nfs/dbraw/zinc/84/88/20/545848820.db2.gz VOQYCILSSSLISB-JKSUJKDBSA-N 2 2 339.484 -0.262 10 0 EBAELP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000184683599 381022442 /nfs/dbraw/zinc/02/24/42/381022442.db2.gz SOVJKJLAHYHPSU-HNNXBMFYSA-N 2 2 328.457 -0.193 10 0 EBAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CCO1 ZINC000092079742 381875447 /nfs/dbraw/zinc/87/54/47/381875447.db2.gz DNWFYQCUMWBUQU-ZDUSSCGKSA-N 2 2 336.436 -0.231 10 0 EBAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CCO1 ZINC000092079742 381875454 /nfs/dbraw/zinc/87/54/54/381875454.db2.gz DNWFYQCUMWBUQU-ZDUSSCGKSA-N 2 2 336.436 -0.231 10 0 EBAELP Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC(=O)N1C ZINC000329141110 155208159 /nfs/dbraw/zinc/20/81/59/155208159.db2.gz UBNSEWKELRUJCT-MLGOLLRUSA-N 2 2 334.424 -0.945 10 0 EBAELP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237027413 154168994 /nfs/dbraw/zinc/16/89/94/154168994.db2.gz XXENQRQSJOOFHO-AWEZNQCLSA-N 2 2 326.441 -0.623 10 0 EBAELP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237027413 154168995 /nfs/dbraw/zinc/16/89/95/154168995.db2.gz XXENQRQSJOOFHO-AWEZNQCLSA-N 2 2 326.441 -0.623 10 0 EBAELP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246933307 154182846 /nfs/dbraw/zinc/18/28/46/154182846.db2.gz QKWZJYNHOKSHSI-GJZGRUSLSA-N 2 2 338.452 -0.636 10 0 EBAELP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246933307 154182851 /nfs/dbraw/zinc/18/28/51/154182851.db2.gz QKWZJYNHOKSHSI-GJZGRUSLSA-N 2 2 338.452 -0.636 10 0 EBAELP C[C@H]([C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000262263432 154221559 /nfs/dbraw/zinc/22/15/59/154221559.db2.gz MLBFGYXDJLZIAZ-XNISGKROSA-N 2 2 335.452 -0.052 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)nc[nH+]1 ZINC000173418767 419137906 /nfs/dbraw/zinc/13/79/06/419137906.db2.gz OZDRNXMKUSXUBU-STQMWFEESA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)nc[nH+]1 ZINC000173418767 419137911 /nfs/dbraw/zinc/13/79/11/419137911.db2.gz OZDRNXMKUSXUBU-STQMWFEESA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH+]cn1 ZINC000173418767 419137914 /nfs/dbraw/zinc/13/79/14/419137914.db2.gz OZDRNXMKUSXUBU-STQMWFEESA-N 2 2 334.424 -0.066 10 0 EBAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH+]cn1 ZINC000173418767 419137916 /nfs/dbraw/zinc/13/79/16/419137916.db2.gz OZDRNXMKUSXUBU-STQMWFEESA-N 2 2 334.424 -0.066 10 0 EBAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000408072311 419191313 /nfs/dbraw/zinc/19/13/13/419191313.db2.gz RIYMSMRESAPCEN-QWHCGFSZSA-N 2 2 332.470 -0.790 10 0 EBAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000408072309 277090479 /nfs/dbraw/zinc/09/04/79/277090479.db2.gz RIYMSMRESAPCEN-OLZOCXBDSA-N 2 2 332.470 -0.790 10 0 EBAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408078068 277237060 /nfs/dbraw/zinc/23/70/60/277237060.db2.gz AJMZHABEGYUXKX-OLZOCXBDSA-N 2 2 325.457 -0.069 10 0 EBAELP 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/nfs/dbraw/zinc/99/37/58/380993758.db2.gz FLRHCIRWGAPPBG-HZPDHXFCSA-N 2 2 341.500 -0.280 10 0 EBAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000105279307 381248180 /nfs/dbraw/zinc/24/81/80/381248180.db2.gz NNYVWRHZWBDCTF-INIZCTEOSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000105279307 381248189 /nfs/dbraw/zinc/24/81/89/381248189.db2.gz NNYVWRHZWBDCTF-INIZCTEOSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279307 381248198 /nfs/dbraw/zinc/24/81/98/381248198.db2.gz NNYVWRHZWBDCTF-INIZCTEOSA-N 3 2 341.500 -0.016 10 0 EBAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279307 381248203 /nfs/dbraw/zinc/24/82/03/381248203.db2.gz NNYVWRHZWBDCTF-INIZCTEOSA-N 3 2 341.500 -0.016 10 0 EBAELP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780768 381249541 /nfs/dbraw/zinc/24/95/41/381249541.db2.gz PQUBQXJHNBUAHW-HUUCEWRRSA-N 2 2 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10 0 EBAELP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111690132 379301428 /nfs/dbraw/zinc/30/14/28/379301428.db2.gz KRPVZUKZHAJEBT-OAHLLOKOSA-N 2 2 340.468 -0.544 10 0 EBAELP C[C@@H](O)C[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000274397135 379687873 /nfs/dbraw/zinc/68/78/73/379687873.db2.gz XCSMCDTVCAZLRV-UONOGXRCSA-N 2 2 348.451 -0.354 10 0 EBAELP C[C@@H](O)C[N@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C[C@@H]1C ZINC000274397135 379687877 /nfs/dbraw/zinc/68/78/77/379687877.db2.gz XCSMCDTVCAZLRV-UONOGXRCSA-N 2 2 348.451 -0.354 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000188539512 381113260 /nfs/dbraw/zinc/11/32/60/381113260.db2.gz DLIUPXIUGISLAI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000188539512 381113265 /nfs/dbraw/zinc/11/32/65/381113265.db2.gz DLIUPXIUGISLAI-ZIAGYGMSSA-N 2 2 328.457 -0.196 10 0 EBAELP 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C[C@@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377375228 296140812 /nfs/dbraw/zinc/14/08/12/296140812.db2.gz UMTYMPPUXUOWNE-CHWSQXEVSA-N 2 2 346.497 -0.449 10 0 EBAELP C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000408027584 376286817 /nfs/dbraw/zinc/28/68/17/376286817.db2.gz MCQJUHHZTFQATL-LSDHHAIUSA-N 2 2 347.481 -0.557 10 0 EBAELP C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000408027584 376286820 /nfs/dbraw/zinc/28/68/20/376286820.db2.gz MCQJUHHZTFQATL-LSDHHAIUSA-N 2 2 347.481 -0.557 10 0 EBAELP C[C@H](NS(C)(=O)=O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377375231 379810789 /nfs/dbraw/zinc/81/07/89/379810789.db2.gz UMTYMPPUXUOWNE-OLZOCXBDSA-N 2 2 346.497 -0.449 10 0 EBAELP C[N@H+](CCNS(C)(=O)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000107304141 381252523 /nfs/dbraw/zinc/25/25/23/381252523.db2.gz UUHYOLFNYBULJK-UHFFFAOYSA-N 2 2 329.470 -0.172 10 0 EBAELP C[N@@H+](CCNS(C)(=O)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000107304141 381252528 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C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000175762154 154109324 /nfs/dbraw/zinc/10/93/24/154109324.db2.gz LLCGFAJKLLKDLX-RBSFLKMASA-N 2 2 326.441 -0.321 10 0 EBAELP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000175762154 154109329 /nfs/dbraw/zinc/10/93/29/154109329.db2.gz LLCGFAJKLLKDLX-RBSFLKMASA-N 2 2 326.441 -0.321 10 0 EBAELP Cc1nc(CN2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000180478929 154127700 /nfs/dbraw/zinc/12/77/00/154127700.db2.gz FPIJRDGURIIXMM-UHFFFAOYSA-N 2 2 336.440 -0.340 10 0 EBAELP Cc1nc(CN2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000180478929 154127701 /nfs/dbraw/zinc/12/77/01/154127701.db2.gz FPIJRDGURIIXMM-UHFFFAOYSA-N 2 2 336.440 -0.340 10 0 EBAELP O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262317722 154224913 /nfs/dbraw/zinc/22/49/13/154224913.db2.gz QZRBAXCNMUSAFP-OAHLLOKOSA-N 2 2 333.436 -0.105 10 0 EBAELP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cn1 ZINC000262356426 154226898 /nfs/dbraw/zinc/22/68/98/154226898.db2.gz UTSOJJUEUAWANB-KGLIPLIRSA-N 2 2 348.451 -0.869 10 0 EBAELP [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000185399167 303451812 /nfs/dbraw/zinc/45/18/12/303451812.db2.gz CSNPYHRUCBWRHF-KFWWJZLASA-N 2 2 338.452 -0.447 10 0 EBAELP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc4nncn4c(N)[nH+]3)CC[C@H]21 ZINC000077424290 376343790 /nfs/dbraw/zinc/34/37/90/376343790.db2.gz KTHJHLAOKHCQJB-NWDGAFQWSA-N 2 2 344.423 -0.257 10 0 EBAELP Cn1cc[nH+]c1CN1CCN(C(=O)C2CC[NH+](CC(N)=O)CC2)CC1 ZINC000091932771 218089839 /nfs/dbraw/zinc/08/98/39/218089839.db2.gz QBNHAIRTIWDXRF-UHFFFAOYSA-N 2 2 348.451 -0.738 10 0 EBAELP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261913373 154204881 /nfs/dbraw/zinc/20/48/81/154204881.db2.gz XUUGANUBLOJKFU-AWEZNQCLSA-N 2 2 339.484 -0.722 10 0 EBAELP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261913373 154204884 /nfs/dbraw/zinc/20/48/84/154204884.db2.gz XUUGANUBLOJKFU-AWEZNQCLSA-N 2 2 339.484 -0.722 10 0 EBAELP C[N@@H+](CC(=O)N1CCNC(=O)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863226 376570265 /nfs/dbraw/zinc/57/02/65/376570265.db2.gz TWIVQJBRCHFFKL-UHFFFAOYSA-N 2 2 348.451 -0.762 10 0 EBAELP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000106529788 379140452 /nfs/dbraw/zinc/14/04/52/379140452.db2.gz RAPKCYHQJQIHOS-HUUCEWRRSA-N 2 2 327.473 -0.358 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC(C)(C)O ZINC000188539537 381112597 /nfs/dbraw/zinc/11/25/97/381112597.db2.gz DLIUPXIUGISLAI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC(C)(C)O ZINC000188539537 381112607 /nfs/dbraw/zinc/11/26/07/381112607.db2.gz DLIUPXIUGISLAI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188539537 381112617 /nfs/dbraw/zinc/11/26/17/381112617.db2.gz DLIUPXIUGISLAI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC(C)(C)O ZINC000188539537 381112629 /nfs/dbraw/zinc/11/26/29/381112629.db2.gz DLIUPXIUGISLAI-UONOGXRCSA-N 2 2 328.457 -0.196 10 0 EBAELP C[NH+](C)C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000105923952 381252304 /nfs/dbraw/zinc/25/23/04/381252304.db2.gz QCKTXNIPKCKXBC-OAHLLOKOSA-N 2 2 342.484 -0.524 10 0 EBAELP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000074199194 381605748 /nfs/dbraw/zinc/60/57/48/381605748.db2.gz GQSLFNGZCGMGFY-ZIAGYGMSSA-N 2 2 326.441 -0.767 10 0 EBAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626237 154160617 /nfs/dbraw/zinc/16/06/17/154160617.db2.gz CHCOQQIYTOKWGG-BBWFWOEESA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626237 154160620 /nfs/dbraw/zinc/16/06/20/154160620.db2.gz CHCOQQIYTOKWGG-BBWFWOEESA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626237 154160624 /nfs/dbraw/zinc/16/06/24/154160624.db2.gz CHCOQQIYTOKWGG-BBWFWOEESA-N 3 2 338.496 -0.047 10 0 EBAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193626237 154160628 /nfs/dbraw/zinc/16/06/28/154160628.db2.gz CHCOQQIYTOKWGG-BBWFWOEESA-N 3 2 338.496 -0.047 10 0 EBAELP Cn1cc(C[N@@H+]2CCCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000247061890 154186809 /nfs/dbraw/zinc/18/68/09/154186809.db2.gz FYYXEIHOHZHMGK-QGZVFWFLSA-N 2 2 337.468 -0.379 10 0 EBAELP Cn1cc(C[N@H+]2CCCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)cn1 ZINC000247061890 154186811 /nfs/dbraw/zinc/18/68/11/154186811.db2.gz FYYXEIHOHZHMGK-QGZVFWFLSA-N 2 2 337.468 -0.379 10 0 EBAELP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000333124924 419591728 /nfs/dbraw/zinc/59/17/28/419591728.db2.gz HRTSIUSXGBQMFY-CHWSQXEVSA-N 2 2 343.428 -0.806 10 0 EBAELP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000333124924 419591732 /nfs/dbraw/zinc/59/17/32/419591732.db2.gz HRTSIUSXGBQMFY-CHWSQXEVSA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000333124924 419591740 /nfs/dbraw/zinc/59/17/40/419591740.db2.gz HRTSIUSXGBQMFY-CHWSQXEVSA-N 2 2 343.428 -0.806 10 0 EBAELP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000333124924 419591757 /nfs/dbraw/zinc/59/17/57/419591757.db2.gz HRTSIUSXGBQMFY-CHWSQXEVSA-N 2 2 343.428 -0.806 10 0 EBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000246987951 419860288 /nfs/dbraw/zinc/86/02/88/419860288.db2.gz FWHIDXIXFVKSGZ-GJZGRUSLSA-N 2 2 338.452 -0.530 10 0 EBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CC(=O)N(C)C3=O)CC2)C1 ZINC000246987951 419860296 /nfs/dbraw/zinc/86/02/96/419860296.db2.gz FWHIDXIXFVKSGZ-GJZGRUSLSA-N 2 2 338.452 -0.530 10 0 EBAELP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329656145 421197153 /nfs/dbraw/zinc/19/71/53/421197153.db2.gz MKUHCTFYGLFPSN-CQSZACIVSA-N 2 2 336.440 0.383 10 0 EBAELP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000329656144 421197258 /nfs/dbraw/zinc/19/72/58/421197258.db2.gz MKUHCTFYGLFPSN-AWEZNQCLSA-N 2 2 336.440 0.383 10 0 EBAELP NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000129529110 295149233 /nfs/dbraw/zinc/14/92/33/295149233.db2.gz QKWZJYNHOKSHSI-CABCVRRESA-N 2 2 338.452 -0.636 10 0 EBAELP NC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000129529110 295149235 /nfs/dbraw/zinc/14/92/35/295149235.db2.gz QKWZJYNHOKSHSI-CABCVRRESA-N 2 2 338.452 -0.636 10 0 EBAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780775 381250205 /nfs/dbraw/zinc/25/02/05/381250205.db2.gz PQUBQXJHNBUAHW-LSDHHAIUSA-N 2 2 328.457 -0.027 10 0 EBAELP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000104780775 381250209 /nfs/dbraw/zinc/25/02/09/381250209.db2.gz PQUBQXJHNBUAHW-LSDHHAIUSA-N 2 2 328.457 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C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000249175523 154192160 /nfs/dbraw/zinc/19/21/60/154192160.db2.gz YWTTUCZEZXKHQI-KGLIPLIRSA-N 2 2 328.457 -0.196 10 0 EBAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000261768901 154200378 /nfs/dbraw/zinc/20/03/78/154200378.db2.gz ODFFMLYDRHLLHI-RBSFLKMASA-N 2 2 338.452 -0.589 10 0 EBAELP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[N@H+](C)C1 ZINC000343932236 156190141 /nfs/dbraw/zinc/19/01/41/156190141.db2.gz AWQBVZQWIKLNCH-GJZGRUSLSA-N 2 2 348.451 -0.566 10 0 EBAELP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)[N@@H+](C)C1 ZINC000343932236 156190143 /nfs/dbraw/zinc/19/01/43/156190143.db2.gz AWQBVZQWIKLNCH-GJZGRUSLSA-N 2 2 348.451 -0.566 10 0 EBAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000662939496 421113432 /nfs/dbraw/zinc/11/34/32/421113432.db2.gz GOGQIFBGLGQIOU-IRXDYDNUSA-N 2 2 332.448 -0.093 10 0 EBAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)C1 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