smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009057 /nfs/dbraw/zinc/00/90/57/540009057.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 1 1 347.459 1.488 20 70 EDIDMO COc1ccccc1OCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000159386022 540009059 /nfs/dbraw/zinc/00/90/59/540009059.db2.gz GGFXBIVDHXGHDY-MRXNPFEDSA-N 1 1 347.459 1.488 20 70 EDIDMO C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000161253655 540031644 /nfs/dbraw/zinc/03/16/44/540031644.db2.gz VBCXTVNMUQCYLT-NHYWBVRUSA-N 1 1 347.419 1.734 20 70 EDIDMO C[C@H](NC(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000161253655 540031649 /nfs/dbraw/zinc/03/16/49/540031649.db2.gz VBCXTVNMUQCYLT-NHYWBVRUSA-N 1 1 347.419 1.734 20 70 EDIDMO O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CSC[NH2+]1 ZINC000159393938 206243546 /nfs/dbraw/zinc/24/35/46/206243546.db2.gz PGXHSJWILCITLV-WDEREUQCSA-N 1 1 325.821 1.224 20 70 EDIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000159980317 206272896 /nfs/dbraw/zinc/27/28/96/206272896.db2.gz DUUUCABSOMFGOG-INIZCTEOSA-N 1 1 333.480 1.639 20 70 EDIDMO CCC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000160049551 206277393 /nfs/dbraw/zinc/27/73/93/206277393.db2.gz RZHYDKIGVDVLDW-CQSZACIVSA-N 1 1 331.416 1.875 20 70 EDIDMO CCC[N@@H+](CCN1C(=O)CCC1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000160049551 206277397 /nfs/dbraw/zinc/27/73/97/206277397.db2.gz RZHYDKIGVDVLDW-CQSZACIVSA-N 1 1 331.416 1.875 20 70 EDIDMO CC(=O)N1CCC(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000160315044 206290372 /nfs/dbraw/zinc/29/03/72/206290372.db2.gz BVERUBJZFJQYKP-UHFFFAOYSA-N 1 1 339.480 1.062 20 70 EDIDMO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[N@H+](CC)CC2)c1CC ZINC000160427496 206297009 /nfs/dbraw/zinc/29/70/09/206297009.db2.gz LWKIRMSVVZTBOS-UHFFFAOYSA-N 1 1 335.452 1.132 20 70 EDIDMO CN(CCC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160704263 206309907 /nfs/dbraw/zinc/30/99/07/206309907.db2.gz QPCWRZVJJZIRJG-ZDUSSCGKSA-N 1 1 325.453 1.844 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160775701 206311980 /nfs/dbraw/zinc/31/19/80/206311980.db2.gz RDWAVKILDAPWBL-UHFFFAOYSA-N 1 1 333.358 1.676 20 70 EDIDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12 ZINC000161394731 206345749 /nfs/dbraw/zinc/34/57/49/206345749.db2.gz XJLRLNRVKKLDBI-LLVKDONJSA-N 1 1 345.399 1.451 20 70 EDIDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12 ZINC000161394731 206345753 /nfs/dbraw/zinc/34/57/53/206345753.db2.gz XJLRLNRVKKLDBI-LLVKDONJSA-N 1 1 345.399 1.451 20 70 EDIDMO CC(=O)N1CSC[C@@H]1C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000160554234 267503455 /nfs/dbraw/zinc/50/34/55/267503455.db2.gz UDAAOZZNORNWJU-CYBMUJFWSA-N 1 1 331.401 1.436 20 70 EDIDMO CCc1noc(C)c1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000161142064 302925661 /nfs/dbraw/zinc/92/56/61/302925661.db2.gz YLQFDWWXYAVPJJ-UHFFFAOYSA-N 1 1 333.392 1.538 20 70 EDIDMO Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c[nH]c1=O ZINC000159373506 441808494 /nfs/dbraw/zinc/80/84/94/441808494.db2.gz DURBIUUDPRCIRT-UHFFFAOYSA-N 1 1 340.427 1.683 20 70 EDIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000159467971 441815161 /nfs/dbraw/zinc/81/51/61/441815161.db2.gz JDWQXPMMJNKRIY-CYBMUJFWSA-N 1 1 343.431 1.596 20 70 EDIDMO C[C@H](NC(=O)Nc1cccc([S@](C)=O)c1)[C@H]1C[N@H+](C)CCO1 ZINC000159675425 441829670 /nfs/dbraw/zinc/82/96/70/441829670.db2.gz BYAWALVDQIAFQI-KZXYLYSNSA-N 1 1 325.434 1.265 20 70 EDIDMO C[C@H](NC(=O)Nc1cccc([S@](C)=O)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000159675425 441829675 /nfs/dbraw/zinc/82/96/75/441829675.db2.gz BYAWALVDQIAFQI-KZXYLYSNSA-N 1 1 325.434 1.265 20 70 EDIDMO C[C@H](CNC(=O)NC1C[C@@H](C)O[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000159746518 441834825 /nfs/dbraw/zinc/83/48/25/441834825.db2.gz UXFZJYIXAAGWBR-RBSFLKMASA-N 1 1 326.485 1.125 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000159847130 441843483 /nfs/dbraw/zinc/84/34/83/441843483.db2.gz JGVAXESWFVMETA-AWEZNQCLSA-N 1 1 340.468 1.733 20 70 EDIDMO CCc1nnc2ccc(N3CCC(Cc4[nH+]ccn4C)CC3)nn21 ZINC000160668785 441906269 /nfs/dbraw/zinc/90/62/69/441906269.db2.gz MGRJUKFDOZUPOO-UHFFFAOYSA-N 1 1 325.420 1.879 20 70 EDIDMO COc1ncc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1C(N)=O ZINC000160739904 441915436 /nfs/dbraw/zinc/91/54/36/441915436.db2.gz URQFXCRLBAWYJQ-UHFFFAOYSA-N 1 1 331.376 1.538 20 70 EDIDMO CN(C(=O)CCc1nc[nH]n1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160824774 441925003 /nfs/dbraw/zinc/92/50/03/441925003.db2.gz ANHAILBVHZHQJJ-UHFFFAOYSA-N 1 1 343.431 1.875 20 70 EDIDMO COc1ccccc1-c1nnc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)o1 ZINC000160535322 441893462 /nfs/dbraw/zinc/89/34/62/441893462.db2.gz QEKLLLSEMSGZTM-NEPJUHHUSA-N 1 1 330.388 1.831 20 70 EDIDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000160842580 441927829 /nfs/dbraw/zinc/92/78/29/441927829.db2.gz XPYFDASWPQVZPV-ZTFGCOKTSA-N 1 1 329.444 1.961 20 70 EDIDMO CCOC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160853783 441928569 /nfs/dbraw/zinc/92/85/69/441928569.db2.gz JLVLKQXWSIZOAL-AWEZNQCLSA-N 1 1 338.452 1.487 20 70 EDIDMO Cc1nccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1Cl ZINC000159816125 540014705 /nfs/dbraw/zinc/01/47/05/540014705.db2.gz PCFAGAJPMQGCQA-UHFFFAOYSA-N 1 1 326.828 1.964 20 70 EDIDMO C[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)[C@H]1C[N@H+](C)CCO1 ZINC000159787932 540014138 /nfs/dbraw/zinc/01/41/38/540014138.db2.gz LXMSFUJBQMKMTO-JGGQBBKZSA-N 1 1 335.452 1.158 20 70 EDIDMO C[C@H](NC(=O)N(C)[C@@H]1CCCc2c1cnn2C)[C@H]1C[N@@H+](C)CCO1 ZINC000159787932 540014142 /nfs/dbraw/zinc/01/41/42/540014142.db2.gz LXMSFUJBQMKMTO-JGGQBBKZSA-N 1 1 335.452 1.158 20 70 EDIDMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1C(=O)N(C)C ZINC000160418832 540022925 /nfs/dbraw/zinc/02/29/25/540022925.db2.gz FYCHRQDROJMZNS-XJKSGUPXSA-N 1 1 348.447 1.537 20 70 EDIDMO Cc1ccc(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C(=O)N(C)C ZINC000160418832 540022926 /nfs/dbraw/zinc/02/29/26/540022926.db2.gz FYCHRQDROJMZNS-XJKSGUPXSA-N 1 1 348.447 1.537 20 70 EDIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000159483347 296177403 /nfs/dbraw/zinc/17/74/03/296177403.db2.gz OZCZNBUEYINXRN-VXHVZIFVSA-N 1 1 337.464 1.482 20 70 EDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1 ZINC000159692012 206258691 /nfs/dbraw/zinc/25/86/91/206258691.db2.gz HDDCLFAYXRSAID-UHFFFAOYSA-N 1 1 333.432 1.442 20 70 EDIDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)CC(C)(CO)CO ZINC000159525804 206250325 /nfs/dbraw/zinc/25/03/25/206250325.db2.gz IJZRVROSIVEUSL-LLVKDONJSA-N 1 1 346.374 1.538 20 70 EDIDMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)CC(C)(CO)CO ZINC000159525804 206250327 /nfs/dbraw/zinc/25/03/27/206250327.db2.gz IJZRVROSIVEUSL-LLVKDONJSA-N 1 1 346.374 1.538 20 70 EDIDMO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159554377 206250747 /nfs/dbraw/zinc/25/07/47/206250747.db2.gz YDWFKIWHRNCXPG-MSOLQXFVSA-N 1 1 335.407 1.623 20 70 EDIDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1(C)COC1 ZINC000159855144 206266711 /nfs/dbraw/zinc/26/67/11/206266711.db2.gz CLWWQKDGTVWRJR-UHFFFAOYSA-N 1 1 346.475 1.487 20 70 EDIDMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000160037889 206276556 /nfs/dbraw/zinc/27/65/56/206276556.db2.gz WOMGMJQBBMESMV-UHFFFAOYSA-N 1 1 338.411 1.503 20 70 EDIDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000160037889 206276559 /nfs/dbraw/zinc/27/65/59/206276559.db2.gz WOMGMJQBBMESMV-UHFFFAOYSA-N 1 1 338.411 1.503 20 70 EDIDMO COC(C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)OC ZINC000160396833 206293837 /nfs/dbraw/zinc/29/38/37/206293837.db2.gz QDXPIMIIOUBNPB-UHFFFAOYSA-N 1 1 334.463 1.110 20 70 EDIDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)cn1 ZINC000161268066 206339735 /nfs/dbraw/zinc/33/97/35/206339735.db2.gz ZQWWFDVQYUDKRI-UHFFFAOYSA-N 1 1 326.400 1.577 20 70 EDIDMO COCCN(CCOC)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000160205460 277216531 /nfs/dbraw/zinc/21/65/31/277216531.db2.gz TZKIZXIPOHOMLD-FUHWJXTLSA-N 1 1 349.475 1.954 20 70 EDIDMO Cc1noc(Cl)c1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159995410 302919649 /nfs/dbraw/zinc/91/96/49/302919649.db2.gz FOAXOWVRDCXYKE-UHFFFAOYSA-N 1 1 343.855 1.996 20 70 EDIDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160250965 441868047 /nfs/dbraw/zinc/86/80/47/441868047.db2.gz QLARSLHBVMGCFY-SJORKVTESA-N 1 1 339.480 1.696 20 70 EDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)COCC(F)(F)F ZINC000160289393 441871471 /nfs/dbraw/zinc/87/14/71/441871471.db2.gz BGNGYPHCTRHJFU-UHFFFAOYSA-N 1 1 326.359 1.382 20 70 EDIDMO CCOC(=O)COc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159649132 441828067 /nfs/dbraw/zinc/82/80/67/441828067.db2.gz RXRGNAMFXYYDBL-DZGCQCFKSA-N 1 1 334.416 1.714 20 70 EDIDMO C[C@]1(O)CCCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000159824249 441839682 /nfs/dbraw/zinc/83/96/82/441839682.db2.gz GGKMGRGALNQISS-IBGZPJMESA-N 1 1 347.459 1.940 20 70 EDIDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cccc(-n4ccnn4)c3)CC2)c1 ZINC000159834070 441841502 /nfs/dbraw/zinc/84/15/02/441841502.db2.gz ILVAIHRGESMECG-UHFFFAOYSA-N 1 1 348.410 1.933 20 70 EDIDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160427646 441882362 /nfs/dbraw/zinc/88/23/62/441882362.db2.gz KTQGZPPGMRLRFT-OAHLLOKOSA-N 1 1 349.479 1.858 20 70 EDIDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2cnn(C)c2C)cn1 ZINC000160562256 441896266 /nfs/dbraw/zinc/89/62/66/441896266.db2.gz HRFCLUTYVBMURK-FNORWQNLSA-N 1 1 336.399 1.947 20 70 EDIDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000161241563 441976556 /nfs/dbraw/zinc/97/65/56/441976556.db2.gz DYJXCHNUJHZSTJ-XHSDSOJGSA-N 1 1 347.525 1.585 20 70 EDIDMO COCC[NH+]1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160881683 441931410 /nfs/dbraw/zinc/93/14/10/441931410.db2.gz GLFJTEMNEUKFDG-UHFFFAOYSA-N 1 1 335.330 1.241 20 70 EDIDMO OCC1(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)COC1 ZINC000161048998 441949899 /nfs/dbraw/zinc/94/98/99/441949899.db2.gz LGHRWBSWNFDYCL-ZIAGYGMSSA-N 1 1 331.334 1.822 20 70 EDIDMO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1)C1CC1 ZINC000161093463 441956818 /nfs/dbraw/zinc/95/68/18/441956818.db2.gz AQPRYLYHJYIXAC-IAGOWNOFSA-N 1 1 345.443 1.434 20 70 EDIDMO CCC1(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCC1 ZINC000161133289 441960330 /nfs/dbraw/zinc/96/03/30/441960330.db2.gz JVRZIYLNZCULJX-UHFFFAOYSA-N 1 1 338.496 1.809 20 70 EDIDMO C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000218009376 486642078 /nfs/dbraw/zinc/64/20/78/486642078.db2.gz NZKDBTLMSJPROB-KBXIAJHMSA-N 1 1 327.469 1.693 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCCc2cn3cccc(C)c3n2)CC1 ZINC000159938899 540017095 /nfs/dbraw/zinc/01/70/95/540017095.db2.gz JHUKXAAOBVTJDO-UHFFFAOYSA-N 1 1 329.448 1.922 20 70 EDIDMO COc1cc(F)c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000160547177 540024090 /nfs/dbraw/zinc/02/40/90/540024090.db2.gz YNOKHSLRIGUICQ-XPTSAGLGSA-N 1 1 329.347 1.814 20 70 EDIDMO COc1cc(F)c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000160547177 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C[NH+](C)CCN(C(=O)NCCCCN1CCOCC1)C1CCCC1 ZINC000160389976 441876424 /nfs/dbraw/zinc/87/64/24/441876424.db2.gz UNRLKWJUBFAEQC-UHFFFAOYSA-N 1 1 340.512 1.615 20 70 EDIDMO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000160430141 441881851 /nfs/dbraw/zinc/88/18/51/441881851.db2.gz DAYFKFRTZNMKPC-ZDUSSCGKSA-N 1 1 335.452 1.467 20 70 EDIDMO CCc1noc(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160521026 441892452 /nfs/dbraw/zinc/89/24/52/441892452.db2.gz IBBIQXINKACXLJ-LBPRGKRZSA-N 1 1 334.420 1.617 20 70 EDIDMO CNS(=O)(=O)c1cccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000161402177 441996490 /nfs/dbraw/zinc/99/64/90/441996490.db2.gz FZJNTKYDZMQSDV-YDHLFZDLSA-N 1 1 325.478 1.728 20 70 EDIDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000161402177 441996495 /nfs/dbraw/zinc/99/64/95/441996495.db2.gz FZJNTKYDZMQSDV-YDHLFZDLSA-N 1 1 325.478 1.728 20 70 EDIDMO C[C@@H]1C[C@H](NC(=O)N2CCC(C(N)=O)CC2)C[N@H+]1Cc1ccccc1 ZINC000160123117 533919741 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335.330 1.019 20 70 EDIDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000161119784 441959681 /nfs/dbraw/zinc/95/96/81/441959681.db2.gz RMNPGMTZPJLUQC-VIFPVBQESA-N 1 1 335.330 1.019 20 70 EDIDMO COC(=O)Cn1cc(CC[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)nn1 ZINC000161167146 441966522 /nfs/dbraw/zinc/96/65/22/441966522.db2.gz NJPJAGXHNNLYBA-ZBFHGGJFSA-N 1 1 328.416 1.872 20 70 EDIDMO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC(C)(CO)CO ZINC000159584617 533868965 /nfs/dbraw/zinc/86/89/65/533868965.db2.gz IWWDQNVZAYGNNM-UHFFFAOYSA-N 1 1 344.839 1.600 20 70 EDIDMO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000159452901 534688859 /nfs/dbraw/zinc/68/88/59/534688859.db2.gz ZAQSDEVGUVSUHU-UHFFFAOYSA-N 1 1 341.411 1.602 20 70 EDIDMO O=C1[C@H](N2CC[NH+](CCn3ccnc3)CC2)CCN1c1ccccc1 ZINC000159820175 534839481 /nfs/dbraw/zinc/83/94/81/534839481.db2.gz GJYGWOMKRLXBOD-GOSISDBHSA-N 1 1 339.443 1.306 20 70 EDIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000159599283 540010939 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EDIDMO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000161088378 441955250 /nfs/dbraw/zinc/95/52/50/441955250.db2.gz MVAMJMUOHYJXID-JSGCOSHPSA-N 1 1 334.420 1.427 20 70 EDIDMO CC(C)N1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000217288305 486649993 /nfs/dbraw/zinc/64/99/93/486649993.db2.gz LFJOGFFDDPNDPV-KRWDZBQOSA-N 1 1 344.459 1.523 20 70 EDIDMO CC(C)OC(=O)CCCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000159480281 527775759 /nfs/dbraw/zinc/77/57/59/527775759.db2.gz GGJHIKNWQKKNJE-ZDUSSCGKSA-N 1 1 325.409 1.913 20 70 EDIDMO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000159524330 528194110 /nfs/dbraw/zinc/19/41/10/528194110.db2.gz HISXPWWQQSEOKK-WBVHZDCISA-N 1 1 336.476 1.955 20 70 EDIDMO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000159524330 528194115 /nfs/dbraw/zinc/19/41/15/528194115.db2.gz HISXPWWQQSEOKK-WBVHZDCISA-N 1 1 336.476 1.955 20 70 EDIDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1O ZINC000159407633 533555169 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Cn1cnc(-c2ccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)n1 ZINC000160736852 441914630 /nfs/dbraw/zinc/91/46/30/441914630.db2.gz CTEDBUCLPJSGSH-ZDUSSCGKSA-N 1 1 328.420 1.945 20 70 EDIDMO Cn1nccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160764509 441918319 /nfs/dbraw/zinc/91/83/19/441918319.db2.gz NDKYRGSEVKNTJE-HNGSOEQISA-N 1 1 340.427 1.185 20 70 EDIDMO CCOCCC[N@H+]1CC[C@H](NCC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000160551123 441895604 /nfs/dbraw/zinc/89/56/04/441895604.db2.gz UZPYBJFROUBBAH-OLZOCXBDSA-N 1 1 339.402 1.392 20 70 EDIDMO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161086467 441955233 /nfs/dbraw/zinc/95/52/33/441955233.db2.gz UKSNEERFTMJZSN-UHFFFAOYSA-N 1 1 336.461 1.693 20 70 EDIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000161086467 441955234 /nfs/dbraw/zinc/95/52/34/441955234.db2.gz UKSNEERFTMJZSN-UHFFFAOYSA-N 1 1 336.461 1.693 20 70 EDIDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccccc2CO)C[C@@H](C)O1 ZINC000161122636 441960651 /nfs/dbraw/zinc/96/06/51/441960651.db2.gz HFWXVXXCRSVCQN-HUUCEWRRSA-N 1 1 349.475 1.866 20 70 EDIDMO CC(C)[C@@H](CNC(=O)NC[C@@]1(C)CCCS1)[NH+]1CCOCC1 ZINC000159846172 318420781 /nfs/dbraw/zinc/42/07/81/318420781.db2.gz VERGOLJHFYPLPA-GDBMZVCRSA-N 1 1 329.510 1.928 20 70 EDIDMO COc1ccccc1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000159445233 534077909 /nfs/dbraw/zinc/07/79/09/534077909.db2.gz MZOKNQQXAGJNTO-HNNXBMFYSA-N 1 1 326.462 1.989 20 70 EDIDMO CCC[C@@H]1CN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CCO1 ZINC000159498414 527778647 /nfs/dbraw/zinc/77/86/47/527778647.db2.gz RWWCHCAABCJJKO-DLBZAZTESA-N 1 1 341.496 1.944 20 70 EDIDMO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C[C@@H]1CCC[C@@H]1O ZINC000159806914 529838149 /nfs/dbraw/zinc/83/81/49/529838149.db2.gz VYNNRGJKEHLIOV-YOEHRIQHSA-N 1 1 345.443 1.610 20 70 EDIDMO COc1cccc(Cl)c1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000160781441 540026324 /nfs/dbraw/zinc/02/63/24/540026324.db2.gz DWAPHEAXJCKHPZ-ABAIWWIYSA-N 1 1 326.824 1.726 20 70 EDIDMO COc1cccc(Cl)c1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000160781441 540026325 /nfs/dbraw/zinc/02/63/25/540026325.db2.gz DWAPHEAXJCKHPZ-ABAIWWIYSA-N 1 1 326.824 1.726 20 70 EDIDMO C[C@H](CNC(=O)NC[C@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000159463102 225222113 /nfs/dbraw/zinc/22/21/13/225222113.db2.gz PLZZZPIKLQTTSE-HZPDHXFCSA-N 1 1 347.459 1.820 20 70 EDIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CO)CC1 ZINC000159987346 225314466 /nfs/dbraw/zinc/31/44/66/225314466.db2.gz UVIQLPLHFIYJDH-QAPCUYQASA-N 1 1 331.460 1.921 20 70 EDIDMO COC(=O)C1([N@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CCCC1 ZINC000159420362 277309646 /nfs/dbraw/zinc/30/96/46/277309646.db2.gz FIBYLIJMVOTONS-UHFFFAOYSA-N 1 1 329.400 1.883 20 70 EDIDMO COC(=O)C1([N@@H+](C)CCc2nc3ccccc3c(=O)[nH]2)CCCC1 ZINC000159420362 277309647 /nfs/dbraw/zinc/30/96/47/277309647.db2.gz FIBYLIJMVOTONS-UHFFFAOYSA-N 1 1 329.400 1.883 20 70 EDIDMO CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000159544548 441820333 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EDIDMO CCC(CC)[C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]1CCOCC1 ZINC000159883180 441844165 /nfs/dbraw/zinc/84/41/65/441844165.db2.gz QBZWVUQWOQYLCW-NVXWUHKLSA-N 1 1 343.512 1.924 20 70 EDIDMO CCNC(=O)CCCC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159999834 441853012 /nfs/dbraw/zinc/85/30/12/441853012.db2.gz XBMHKOOSSOXLGN-UHFFFAOYSA-N 1 1 327.469 1.110 20 70 EDIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000160020261 441853790 /nfs/dbraw/zinc/85/37/90/441853790.db2.gz OGWDQVXMUFUGMD-APWZRJJASA-N 1 1 342.487 1.997 20 70 EDIDMO CNS(=O)(=O)c1ccc(N2CCC(Cc3[nH+]ccn3C)CC2)nc1 ZINC000160672540 441908237 /nfs/dbraw/zinc/90/82/37/441908237.db2.gz JMYFBNWYIOCEFM-UHFFFAOYSA-N 1 1 349.460 1.182 20 70 EDIDMO CC[N@@H+]1CCO[C@H](C(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000160685184 441909814 /nfs/dbraw/zinc/90/98/14/441909814.db2.gz HJGZNWUBQJCABL-ZDUSSCGKSA-N 1 1 325.478 1.820 20 70 EDIDMO CC[N@H+]1CCO[C@H](C(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000160685184 441909818 /nfs/dbraw/zinc/90/98/18/441909818.db2.gz HJGZNWUBQJCABL-ZDUSSCGKSA-N 1 1 325.478 1.820 20 70 EDIDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160689032 441909949 /nfs/dbraw/zinc/90/99/49/441909949.db2.gz NKCSHLANOLTSKF-AWEZNQCLSA-N 1 1 338.411 1.755 20 70 EDIDMO Cn1nccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160764150 441918289 /nfs/dbraw/zinc/91/82/89/441918289.db2.gz NDKYRGSEVKNTJE-VUOWKATKSA-N 1 1 340.427 1.185 20 70 EDIDMO COC(=O)c1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160370110 441875315 /nfs/dbraw/zinc/87/53/15/441875315.db2.gz KNSXFXURMCCLDB-QVNOTHCHSA-N 1 1 344.411 1.466 20 70 EDIDMO COC(=O)c1ccc(/C=C/C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160370110 441875319 /nfs/dbraw/zinc/87/53/19/441875319.db2.gz KNSXFXURMCCLDB-QVNOTHCHSA-N 1 1 344.411 1.466 20 70 EDIDMO COc1cccc2c1OCC(C(=O)NC[C@@H]1C[N@@H+](C3CC3)CCO1)=C2 ZINC000160452954 441884115 /nfs/dbraw/zinc/88/41/15/441884115.db2.gz LECXXZYAYUNUNE-MRXNPFEDSA-N 1 1 344.411 1.450 20 70 EDIDMO COc1cccc2c1OCC(C(=O)NC[C@@H]1C[N@H+](C3CC3)CCO1)=C2 ZINC000160452954 441884116 /nfs/dbraw/zinc/88/41/16/441884116.db2.gz LECXXZYAYUNUNE-MRXNPFEDSA-N 1 1 344.411 1.450 20 70 EDIDMO CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)[NH+](C)C ZINC000160494015 441888173 /nfs/dbraw/zinc/88/81/73/441888173.db2.gz QXQLCTCGSPOPFD-RCCFBDPRSA-N 1 1 333.476 1.324 20 70 EDIDMO Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000160498766 441889368 /nfs/dbraw/zinc/88/93/68/441889368.db2.gz CNIVABQWIPRHHI-CYBMUJFWSA-N 1 1 339.461 1.104 20 70 EDIDMO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000161008686 441946736 /nfs/dbraw/zinc/94/67/36/441946736.db2.gz IDLNCVFZNQJMEP-BBWFWOEESA-N 1 1 346.537 1.773 20 70 EDIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000161008686 441946738 /nfs/dbraw/zinc/94/67/38/441946738.db2.gz IDLNCVFZNQJMEP-BBWFWOEESA-N 1 1 346.537 1.773 20 70 EDIDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)COCC1CC1 ZINC000161030826 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341.473 1.952 20 70 EDIDMO COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@H](O)C3CC3)C2=O)c1 ZINC000160829201 540026387 /nfs/dbraw/zinc/02/63/87/540026387.db2.gz ZIIDRLRMUPBLRZ-SJORKVTESA-N 1 1 334.416 1.512 20 70 EDIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000161067659 285120195 /nfs/dbraw/zinc/12/01/95/285120195.db2.gz IOHZSUAOJAVWGW-AWEZNQCLSA-N 1 1 333.432 1.704 20 70 EDIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000161067659 285120196 /nfs/dbraw/zinc/12/01/96/285120196.db2.gz IOHZSUAOJAVWGW-AWEZNQCLSA-N 1 1 333.432 1.704 20 70 EDIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc2cnccn12 ZINC000159390971 533401527 /nfs/dbraw/zinc/40/15/27/533401527.db2.gz IVGBUATZAXGHKR-ZDUSSCGKSA-N 1 1 337.449 1.023 20 70 EDIDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cnc2cnccn12 ZINC000159390971 533401533 /nfs/dbraw/zinc/40/15/33/533401533.db2.gz IVGBUATZAXGHKR-ZDUSSCGKSA-N 1 1 337.449 1.023 20 70 EDIDMO COc1cc(C)cc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000159821675 533634837 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EDIDMO CC[N@@H+]1CCCN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822967 /nfs/dbraw/zinc/82/29/67/441822967.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 1 1 326.485 1.223 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159579191 441822972 /nfs/dbraw/zinc/82/29/72/441822972.db2.gz KBIZOAXINPCSHM-IYBDPMFKSA-N 1 1 326.485 1.223 20 70 EDIDMO CC(C)[N@H+](CCc1nccs1)CC(=O)NCC(=O)NC(C)(C)C ZINC000159797052 441838364 /nfs/dbraw/zinc/83/83/64/441838364.db2.gz XQGAGTHTJVZQGK-UHFFFAOYSA-N 1 1 340.493 1.427 20 70 EDIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NCC(=O)NC(C)(C)C ZINC000159797052 441838370 /nfs/dbraw/zinc/83/83/70/441838370.db2.gz XQGAGTHTJVZQGK-UHFFFAOYSA-N 1 1 340.493 1.427 20 70 EDIDMO CC(C)C[C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]1CCOCC1 ZINC000159869125 441842633 /nfs/dbraw/zinc/84/26/33/441842633.db2.gz PCNYVTWRZQYYJM-HOTGVXAUSA-N 1 1 329.485 1.534 20 70 EDIDMO COCCN(CCOC)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159986552 441852060 /nfs/dbraw/zinc/85/20/60/441852060.db2.gz GIZFVBDKMWGKQO-AEFFLSMTSA-N 1 1 349.475 1.811 20 70 EDIDMO CCS(=O)(=O)c1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000160657698 441905735 /nfs/dbraw/zinc/90/57/35/441905735.db2.gz VDCGRBIWZTZJFC-HNNXBMFYSA-N 1 1 338.473 1.481 20 70 EDIDMO CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160385930 441876693 /nfs/dbraw/zinc/87/66/93/441876693.db2.gz OZTXAZZZZGDFPH-GOEBONIOSA-N 1 1 334.416 1.345 20 70 EDIDMO CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160385930 441876695 /nfs/dbraw/zinc/87/66/95/441876695.db2.gz OZTXAZZZZGDFPH-GOEBONIOSA-N 1 1 334.416 1.345 20 70 EDIDMO C[NH+]1CCN(CCCCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160406504 441879075 /nfs/dbraw/zinc/87/90/75/441879075.db2.gz JWSIJPACQXAHRG-UHFFFAOYSA-N 1 1 329.366 1.861 20 70 EDIDMO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000160462396 441885431 /nfs/dbraw/zinc/88/54/31/441885431.db2.gz YKKUVRJJOOYSOW-OAHLLOKOSA-N 1 1 338.473 1.575 20 70 EDIDMO CCS(=O)(=O)c1cccc(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000160462396 441885438 /nfs/dbraw/zinc/88/54/38/441885438.db2.gz YKKUVRJJOOYSOW-OAHLLOKOSA-N 1 1 338.473 1.575 20 70 EDIDMO CCOC(=O)NCCCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160899749 441934087 /nfs/dbraw/zinc/93/40/87/441934087.db2.gz MTQUOHXOIMMUJC-ZNMIVQPWSA-N 1 1 327.469 1.995 20 70 EDIDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160923170 441937038 /nfs/dbraw/zinc/93/70/38/441937038.db2.gz TVDQXNSRDIFURL-UHFFFAOYSA-N 1 1 338.415 1.797 20 70 EDIDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000160929763 441937866 /nfs/dbraw/zinc/93/78/66/441937866.db2.gz ILLSYVJAVIYPHT-LSDHHAIUSA-N 1 1 345.509 1.325 20 70 EDIDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000161080223 441953836 /nfs/dbraw/zinc/95/38/36/441953836.db2.gz YKDMJBVWVRXNDQ-UHFFFAOYSA-N 1 1 339.461 1.845 20 70 EDIDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccccc2CO)C[C@H](C)O1 ZINC000161122514 441960756 /nfs/dbraw/zinc/96/07/56/441960756.db2.gz HFWXVXXCRSVCQN-GJZGRUSLSA-N 1 1 349.475 1.866 20 70 EDIDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C(=O)N3CCCC3)n2)C1 ZINC000161321811 441984441 /nfs/dbraw/zinc/98/44/41/441984441.db2.gz ACZBVQIZNYZSBG-AWEZNQCLSA-N 1 1 330.432 1.389 20 70 EDIDMO COc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000159410953 534167764 /nfs/dbraw/zinc/16/77/64/534167764.db2.gz AWAMBYYVQCUYIM-CQSZACIVSA-N 1 1 333.432 1.728 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCCNC(=O)c2ccccc2F)CC1 ZINC000159727697 529025141 /nfs/dbraw/zinc/02/51/41/529025141.db2.gz GIDKZEAGUNJPDQ-UHFFFAOYSA-N 1 1 336.411 1.293 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000159581732 529029089 /nfs/dbraw/zinc/02/90/89/529029089.db2.gz KCEHEGVRVMCYOB-UHFFFAOYSA-N 1 1 331.464 1.919 20 70 EDIDMO CN(c1ccccc1CN1CCC[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000160343776 530036967 /nfs/dbraw/zinc/03/69/67/530036967.db2.gz KVZSFLQPJAWCIR-GOSISDBHSA-N 1 1 330.476 1.667 20 70 EDIDMO CNC(=O)c1cccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000159453931 540009568 /nfs/dbraw/zinc/00/95/68/540009568.db2.gz OJGUMKPUOWWQDM-SJORKVTESA-N 1 1 329.444 1.674 20 70 EDIDMO C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000160821910 540026862 /nfs/dbraw/zinc/02/68/62/540026862.db2.gz OEIWMLGIRGUNPI-DGCLKSJQSA-N 1 1 334.445 1.598 20 70 EDIDMO C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000160821910 540026865 /nfs/dbraw/zinc/02/68/65/540026865.db2.gz OEIWMLGIRGUNPI-DGCLKSJQSA-N 1 1 334.445 1.598 20 70 EDIDMO C[C@@H]1C[C@@H](NC(=O)N2CCn3cnnc3C2)C[N@H+]1Cc1ccccc1 ZINC000159912679 533614602 /nfs/dbraw/zinc/61/46/02/533614602.db2.gz KMELPOIPGONJID-GDBMZVCRSA-N 1 1 340.431 1.466 20 70 EDIDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000159383852 225207322 /nfs/dbraw/zinc/20/73/22/225207322.db2.gz WPUXRKQIDRFWOZ-UHFFFAOYSA-N 1 1 341.458 1.819 20 70 EDIDMO C[C@@]1(O)CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000159785039 225277003 /nfs/dbraw/zinc/27/70/03/225277003.db2.gz WLAKSGJCNNFOIB-QGZVFWFLSA-N 1 1 339.480 1.578 20 70 EDIDMO C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160094801 225337481 /nfs/dbraw/zinc/33/74/81/225337481.db2.gz KXSPAOCIESZHLB-AWEZNQCLSA-N 1 1 341.496 1.354 20 70 EDIDMO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)CN1CCOCC1 ZINC000160826311 278277164 /nfs/dbraw/zinc/27/71/64/278277164.db2.gz XZGONFSOFKTUOM-HOTGVXAUSA-N 1 1 338.496 1.271 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159572338 279285078 /nfs/dbraw/zinc/28/50/78/279285078.db2.gz CINDUIIIWONFQK-IYBDPMFKSA-N 1 1 340.512 1.611 20 70 EDIDMO COC(=O)c1ccc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807402 /nfs/dbraw/zinc/80/74/02/441807402.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 1 1 345.443 1.387 20 70 EDIDMO COC(=O)c1ccc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000159377534 441807408 /nfs/dbraw/zinc/80/74/08/441807408.db2.gz JAJULTRYAJAXEX-QGZVFWFLSA-N 1 1 345.443 1.387 20 70 EDIDMO O=C(NCC1(CCO)CCC1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000160155259 441862452 /nfs/dbraw/zinc/86/24/52/441862452.db2.gz ZFWFYPRFHUJQGR-GOSISDBHSA-N 1 1 346.471 1.853 20 70 EDIDMO CCOC(=O)C[C@@H](C)NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160194844 441864819 /nfs/dbraw/zinc/86/48/19/441864819.db2.gz CTILKJBTPJQQOK-NYTXWWLZSA-N 1 1 328.453 1.578 20 70 EDIDMO CCOC(=O)C[C@@H](C)NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160194844 441864824 /nfs/dbraw/zinc/86/48/24/441864824.db2.gz CTILKJBTPJQQOK-NYTXWWLZSA-N 1 1 328.453 1.578 20 70 EDIDMO CCOCC[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160283483 441871262 /nfs/dbraw/zinc/87/12/62/441871262.db2.gz AHFPYOAIFDCMLE-JKSUJKDBSA-N 1 1 325.453 1.308 20 70 EDIDMO CC[N@H+]1CCCN(C(=O)NCCC(=O)Nc2ccc(C)cn2)CC1 ZINC000159794992 441837727 /nfs/dbraw/zinc/83/77/27/441837727.db2.gz QAMGPWZAWRMECB-UHFFFAOYSA-N 1 1 333.436 1.456 20 70 EDIDMO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCCN1Cc1ccccc1 ZINC000160634415 441904135 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