smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000019772004 193918200 /nfs/dbraw/zinc/91/82/00/193918200.db2.gz AUQXLBMZOQJORG-LJQANCHMSA-N 1 1 431.514 1.935 50 0 IDAAMO COc1cc(NC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)cc(OC)c1 ZINC000009431022 132317181 /nfs/dbraw/zinc/31/71/81/132317181.db2.gz HHAVQQRQTWBDMX-UHFFFAOYSA-N 1 1 425.493 1.465 50 0 IDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000022804886 518727436 /nfs/dbraw/zinc/72/74/36/518727436.db2.gz RLFUEEJITOTHLV-UHFFFAOYSA-N 1 1 429.565 1.674 50 0 IDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000022804886 518727442 /nfs/dbraw/zinc/72/74/42/518727442.db2.gz RLFUEEJITOTHLV-UHFFFAOYSA-N 1 1 429.565 1.674 50 0 IDAAMO CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CCO3)CC1 ZINC000012131408 519585556 /nfs/dbraw/zinc/58/55/56/519585556.db2.gz URUGAWOKNYAXSX-QFIPXVFZSA-N 1 1 428.577 1.946 50 0 IDAAMO CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CC[NH+](C)CC1 ZINC000020546397 519819843 /nfs/dbraw/zinc/81/98/43/519819843.db2.gz RZSZIJUUEITTRM-SVMVAKDDSA-N 1 1 444.601 1.950 50 0 IDAAMO CCCC[N@@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000021887559 520476412 /nfs/dbraw/zinc/47/64/12/520476412.db2.gz KZNDSJNYGAAVMK-UHFFFAOYSA-N 1 1 429.583 1.282 50 0 biogenic IDAAMO CCN(CC[NH+](CC)CC)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020295912 520644728 /nfs/dbraw/zinc/64/47/28/520644728.db2.gz PGDDPKSDHWBXCY-JOCHJYFZSA-N 1 1 436.641 1.846 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C2=COCCO2)c1 ZINC000012527230 520801441 /nfs/dbraw/zinc/80/14/41/520801441.db2.gz GUFJWUCSICXYNS-UHFFFAOYSA-N 1 1 438.550 1.296 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000012342282 521481439 /nfs/dbraw/zinc/48/14/39/521481439.db2.gz OMSNNICLCCDJLB-IEBWSBKVSA-N 1 1 427.501 1.830 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000012342282 521481446 /nfs/dbraw/zinc/48/14/46/521481446.db2.gz OMSNNICLCCDJLB-IEBWSBKVSA-N 1 1 427.501 1.830 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000035907741 521482591 /nfs/dbraw/zinc/48/25/91/521482591.db2.gz OMSNNICLCCDJLB-HKUYNNGSSA-N 1 1 427.501 1.830 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000035907741 521482601 /nfs/dbraw/zinc/48/26/01/521482601.db2.gz OMSNNICLCCDJLB-HKUYNNGSSA-N 1 1 427.501 1.830 50 0 IDAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035992952 521662069 /nfs/dbraw/zinc/66/20/69/521662069.db2.gz UNRZCLFCEXJFCX-UHFFFAOYSA-N 1 1 444.532 1.993 50 0 IDAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccccc3OC)on2)CC1 ZINC000036001475 521662483 /nfs/dbraw/zinc/66/24/83/521662483.db2.gz FDQVPYWRWPIYFX-UHFFFAOYSA-N 1 1 444.532 1.993 50 0 IDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000021887767 521663351 /nfs/dbraw/zinc/66/33/51/521663351.db2.gz JLBMTLWRDDYCDL-MRXNPFEDSA-N 1 1 441.594 1.425 50 0 biogenic IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(C)ccc4OC)c(=O)c3s2)CC1 ZINC000021886414 521700653 /nfs/dbraw/zinc/70/06/53/521700653.db2.gz SVNLEOFIDRYLGJ-UHFFFAOYSA-N 1 1 442.545 1.951 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccccc4Cl)c(=O)c3s2)CC1 ZINC000021886468 521700677 /nfs/dbraw/zinc/70/06/77/521700677.db2.gz UDRYLNKYZQQYSF-UHFFFAOYSA-N 1 1 446.964 1.965 50 0 IDAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000020614679 521775596 /nfs/dbraw/zinc/77/55/96/521775596.db2.gz MHANYSSOWPLQDM-MRXNPFEDSA-N 1 1 427.523 1.196 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1ccsc1)CC2 ZINC000020912158 522017893 /nfs/dbraw/zinc/01/78/93/522017893.db2.gz NVIYGNGZTDCXNY-UHFFFAOYSA-N 1 1 441.557 1.993 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1ccsc1)CC2 ZINC000020912158 522017899 /nfs/dbraw/zinc/01/78/99/522017899.db2.gz NVIYGNGZTDCXNY-UHFFFAOYSA-N 1 1 441.557 1.993 50 0 IDAAMO COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697652 522061613 /nfs/dbraw/zinc/06/16/13/522061613.db2.gz KSCMAOPJRZPAKD-OAQYLSRUSA-N 1 1 435.952 1.861 50 0 IDAAMO COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012713824 522352431 /nfs/dbraw/zinc/35/24/31/522352431.db2.gz OCEJWYYZICZTJZ-OAQYLSRUSA-N 1 1 432.565 1.712 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000021794699 523847041 /nfs/dbraw/zinc/84/70/41/523847041.db2.gz MPRVSVLCJVTFBL-UHFFFAOYSA-N 1 1 447.561 1.450 50 0 IDAAMO C[NH+]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768377 523875819 /nfs/dbraw/zinc/87/58/19/523875819.db2.gz QTXFXSDNBAQWOF-HNNXBMFYSA-N 1 1 428.493 1.532 50 0 IDAAMO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020776442 524004123 /nfs/dbraw/zinc/00/41/23/524004123.db2.gz BERYRQSPPGXEHE-JOCHJYFZSA-N 1 1 428.577 1.752 50 0 IDAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020776442 524004125 /nfs/dbraw/zinc/00/41/25/524004125.db2.gz BERYRQSPPGXEHE-JOCHJYFZSA-N 1 1 428.577 1.752 50 0 IDAAMO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000035376935 524026424 /nfs/dbraw/zinc/02/64/24/524026424.db2.gz VOJWBBSWCJZBRE-UHFFFAOYSA-N 1 1 436.512 1.458 50 0 IDAAMO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)o1 ZINC000012308962 524462170 /nfs/dbraw/zinc/46/21/70/524462170.db2.gz VCAYAHWHYOBAIJ-NRFANRHFSA-N 1 1 425.533 1.408 50 0 IDAAMO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)o1 ZINC000012308962 524462178 /nfs/dbraw/zinc/46/21/78/524462178.db2.gz VCAYAHWHYOBAIJ-NRFANRHFSA-N 1 1 425.533 1.408 50 0 IDAAMO COc1ccccc1OC1CC[NH+]([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2O)CC1 ZINC000012432331 524655265 /nfs/dbraw/zinc/65/52/65/524655265.db2.gz STCLRXCIXNGAAT-PMACEKPBSA-N 1 1 432.542 1.972 50 0 IDAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 ZINC000012217764 524899792 /nfs/dbraw/zinc/89/97/92/524899792.db2.gz ZQNFBKVXAVPDLE-FUHWJXTLSA-N 1 1 441.532 1.396 50 0 IDAAMO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000012756741 525317022 /nfs/dbraw/zinc/31/70/22/525317022.db2.gz NJUPLWWBBZLCBS-XMMPIXPASA-N 1 1 438.503 1.980 50 0 IDAAMO C[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(S(C)(=O)=O)cc1 ZINC000012932958 525411721 /nfs/dbraw/zinc/41/17/21/525411721.db2.gz YMVOKXQNZBZBCF-LQZXRHCMSA-N 1 1 436.534 1.273 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363876 525590819 /nfs/dbraw/zinc/59/08/19/525590819.db2.gz RPQFRVHPUSVADI-IFDTWAIBSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC[NH+]3CCOCC3)C(C)(C)S[C@@H]21 ZINC000020609985 525612032 /nfs/dbraw/zinc/61/20/32/525612032.db2.gz ZOTBCWGYVUOQSL-NQIIRXRSSA-N 1 1 449.573 1.891 50 0 biogenic IDAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1OC ZINC000020999590 525953270 /nfs/dbraw/zinc/95/32/70/525953270.db2.gz VYHODTPFZVIISE-GOSISDBHSA-N 1 1 429.521 1.191 50 0 IDAAMO O=C([C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCC(CCn2cccn2)CC1 ZINC000020781334 526462120 /nfs/dbraw/zinc/46/21/20/526462120.db2.gz SCWYGSCJGSHQLY-OAQYLSRUSA-N 1 1 431.581 1.473 50 0 IDAAMO O=C(CC[C@H]1CCCN(C(=O)Cn2cnnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379647 526568820 /nfs/dbraw/zinc/56/88/20/526568820.db2.gz OIJZZXUHCIHVMO-HXUWFJFHSA-N 1 1 425.537 1.036 50 0 IDAAMO NC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012459053 526854908 /nfs/dbraw/zinc/85/49/08/526854908.db2.gz HUPOOSLLFQWLPD-QHCPKHFHSA-N 1 1 448.567 1.733 50 0 IDAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012913421 526890360 /nfs/dbraw/zinc/89/03/60/526890360.db2.gz ZDFVCQMYVDLFRK-NQIIRXRSSA-N 1 1 433.599 1.758 50 0 IDAAMO O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCOCC1 ZINC000032987594 526942680 /nfs/dbraw/zinc/94/26/80/526942680.db2.gz ZUKMUMLIBVREQZ-UHFFFAOYSA-N 1 1 437.497 1.285 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000022766847 527025905 /nfs/dbraw/zinc/02/59/05/527025905.db2.gz BBKPXZACOQMWRV-GOSISDBHSA-N 1 1 441.919 1.853 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cnc2n(C)c1=O ZINC000022766850 527026294 /nfs/dbraw/zinc/02/62/94/527026294.db2.gz BBKPXZACOQMWRV-SFHVURJKSA-N 1 1 441.919 1.853 50 0 IDAAMO O=C(CSc1nnnn1Cc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012772729 527095055 /nfs/dbraw/zinc/09/50/55/527095055.db2.gz KHEQBFWIHASANK-UHFFFAOYSA-N 1 1 430.578 1.965 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000012073072 527150871 /nfs/dbraw/zinc/15/08/71/527150871.db2.gz BYZUJVOJGZAONN-QHCPKHFHSA-N 1 1 438.547 1.903 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000012073072 527150879 /nfs/dbraw/zinc/15/08/79/527150879.db2.gz BYZUJVOJGZAONN-QHCPKHFHSA-N 1 1 438.547 1.903 50 0 IDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000000641044 555518351 /nfs/dbraw/zinc/51/83/51/555518351.db2.gz QJAKGMVHDHCHQU-UHFFFAOYSA-N 1 1 437.331 1.541 50 0 IDAAMO CC(C)[C@H](O)C[N@@H+]1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691623 555804533 /nfs/dbraw/zinc/80/45/33/555804533.db2.gz NNRXMCVLIFZRRB-FCHUYYIVSA-N 1 1 437.556 1.318 50 0 IDAAMO CC(C)[C@H](O)C[N@H+]1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691623 555804536 /nfs/dbraw/zinc/80/45/36/555804536.db2.gz NNRXMCVLIFZRRB-FCHUYYIVSA-N 1 1 437.556 1.318 50 0 IDAAMO CC(C)[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691624 555804571 /nfs/dbraw/zinc/80/45/71/555804571.db2.gz NNRXMCVLIFZRRB-VXKWHMMOSA-N 1 1 437.556 1.318 50 0 IDAAMO CC(C)[C@@H](O)C[N@H+]1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691624 555804575 /nfs/dbraw/zinc/80/45/75/555804575.db2.gz NNRXMCVLIFZRRB-VXKWHMMOSA-N 1 1 437.556 1.318 50 0 IDAAMO COCCn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000034906742 555920527 /nfs/dbraw/zinc/92/05/27/555920527.db2.gz YPUMPRUNEMIEEO-UHFFFAOYSA-N 1 1 429.565 1.738 50 0 IDAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@H+](CC=C(C)C)C2)nn1 ZINC000011971612 556382438 /nfs/dbraw/zinc/38/24/38/556382438.db2.gz ZKOXLBBHMASGMS-PXNSSMCTSA-N 1 1 427.505 1.971 50 0 IDAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](CC=C(C)C)C2)nn1 ZINC000011971612 556382442 /nfs/dbraw/zinc/38/24/42/556382442.db2.gz ZKOXLBBHMASGMS-PXNSSMCTSA-N 1 1 427.505 1.971 50 0 IDAAMO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[N@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000012024440 556387466 /nfs/dbraw/zinc/38/74/66/556387466.db2.gz IHWZYXFYBLVLFE-LJQANCHMSA-N 1 1 433.549 1.279 50 0 IDAAMO O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]12 ZINC000014532354 556420997 /nfs/dbraw/zinc/42/09/97/556420997.db2.gz QHDKMRKNCPOPFU-VQTJNVASSA-N 1 1 442.589 1.211 50 0 IDAAMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)cn2)CC1 ZINC000072273998 556452769 /nfs/dbraw/zinc/45/27/69/556452769.db2.gz FGOJMAHEZULVQS-UHFFFAOYSA-N 1 1 447.883 1.285 50 0 IDAAMO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937191 556457958 /nfs/dbraw/zinc/45/79/58/556457958.db2.gz JLTCVFAOYPISGI-FQEVSTJZSA-N 1 1 438.576 1.641 50 0 IDAAMO COc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@H+](C)C4)n3CC2)c1OC ZINC000014957128 556462677 /nfs/dbraw/zinc/46/26/77/556462677.db2.gz SDUXJKUQQWZWED-SFHVURJKSA-N 1 1 442.564 1.312 50 0 IDAAMO COc1cccc(CN2CCc3nnc(CNC(=O)[C@H]4CCC[N@@H+](C)C4)n3CC2)c1OC ZINC000014957128 556462680 /nfs/dbraw/zinc/46/26/80/556462680.db2.gz SDUXJKUQQWZWED-SFHVURJKSA-N 1 1 442.564 1.312 50 0 IDAAMO C/C=C(\C)C[N@@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1ccc(OC)cc1 ZINC000014962682 556464627 /nfs/dbraw/zinc/46/46/27/556464627.db2.gz XNBOQSXJKWHTLW-UNCLRNMLSA-N 1 1 427.505 1.971 50 0 IDAAMO C/C=C(\C)C[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1ccc(OC)cc1 ZINC000014962682 556464631 /nfs/dbraw/zinc/46/46/31/556464631.db2.gz XNBOQSXJKWHTLW-UNCLRNMLSA-N 1 1 427.505 1.971 50 0 IDAAMO O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000014968711 556466526 /nfs/dbraw/zinc/46/65/26/556466526.db2.gz LYFIESJYDXCPDS-UHFFFAOYSA-N 1 1 433.582 1.082 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+]([C@@H](C)CCn1cccn1)CC2 ZINC000014986921 556472947 /nfs/dbraw/zinc/47/29/47/556472947.db2.gz BOTDTDJRPICBFD-KRWDZBQOSA-N 1 1 439.516 1.913 50 0 IDAAMO O=C(NCCc1nc(-c2ccccc2)no1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015063474 556491471 /nfs/dbraw/zinc/49/14/71/556491471.db2.gz KSOFCQAQFDXYEE-IBGZPJMESA-N 1 1 441.532 1.356 50 0 IDAAMO COC(=O)[C@H](CCSC)NCc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000015067678 556493924 /nfs/dbraw/zinc/49/39/24/556493924.db2.gz LLNSTCIWHPGZRK-AWEZNQCLSA-N 1 1 439.607 1.558 50 0 IDAAMO 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/nfs/dbraw/zinc/32/80/06/557328006.db2.gz MQRDZQAXZCPWEZ-INIZCTEOSA-N 1 1 449.529 1.625 50 0 IDAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000104215872 557452901 /nfs/dbraw/zinc/45/29/01/557452901.db2.gz JVCFOTLYRLWUKM-MSOLQXFVSA-N 1 1 437.562 1.183 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105349112 557495703 /nfs/dbraw/zinc/49/57/03/557495703.db2.gz BBRJAESPJYCZMT-BYWWRHNPSA-N 1 1 427.407 1.266 50 0 IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cccc2C ZINC000105377009 557496688 /nfs/dbraw/zinc/49/66/88/557496688.db2.gz PPCAFGJIMNCBIO-MGXIVBFVSA-N 1 1 435.480 1.305 50 0 biogenic IDAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105380439 557496944 /nfs/dbraw/zinc/49/69/44/557496944.db2.gz FJRWKXNZDUURGR-LPUYTWIDSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO C[C@@H]1CCC[C@H](C)N1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945511 557554006 /nfs/dbraw/zinc/55/40/06/557554006.db2.gz KMRDHMXGSDUSPS-HDICACEKSA-N 1 1 442.651 1.824 50 0 IDAAMO Cc1cc(C)c(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CCNCC2)cc1C ZINC000045974739 557556656 /nfs/dbraw/zinc/55/66/56/557556656.db2.gz SZDYZKHRBGZWTE-UHFFFAOYSA-N 1 1 436.622 1.520 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(C[C@H](O)COCc4cccs4)c(=O)c3s2)CC1 ZINC000225660237 557758637 /nfs/dbraw/zinc/75/86/37/557758637.db2.gz UPLKFTSPQWPUCT-AWEZNQCLSA-N 1 1 435.575 1.634 50 0 IDAAMO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000020211752 563024010 /nfs/dbraw/zinc/02/40/10/563024010.db2.gz FILRRCIGPIUKPM-UHFFFAOYSA-N 1 1 444.601 1.841 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@H+](Cc1sccc1C)CC2 ZINC000299757389 568755554 /nfs/dbraw/zinc/75/55/54/568755554.db2.gz IZEBEGXMSCEROY-UHFFFAOYSA-N 1 1 430.574 1.673 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000084697487 568799980 /nfs/dbraw/zinc/79/99/80/568799980.db2.gz JTIFLUCFVMZVDN-OAHLLOKOSA-N 1 1 427.567 1.609 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)N1CC[NH+](CC)CC1)N2C(C)=O ZINC000015775923 568823649 /nfs/dbraw/zinc/82/36/49/568823649.db2.gz UYFYQNWJEZWOKO-HXUWFJFHSA-N 1 1 436.578 1.159 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000229540821 568886758 /nfs/dbraw/zinc/88/67/58/568886758.db2.gz PJSFWMUDPZRYJK-QZTJIDSGSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000229540821 568886761 /nfs/dbraw/zinc/88/67/61/568886761.db2.gz PJSFWMUDPZRYJK-QZTJIDSGSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000229540821 568886764 /nfs/dbraw/zinc/88/67/64/568886764.db2.gz PJSFWMUDPZRYJK-QZTJIDSGSA-N 1 1 426.483 1.892 50 0 IDAAMO Cc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3ccccc3F)c2=O)c1 ZINC000036085282 568947901 /nfs/dbraw/zinc/94/79/01/568947901.db2.gz AZGRSFZVODGMRZ-UHFFFAOYSA-N 1 1 437.475 1.278 50 0 IDAAMO C[NH+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000036085490 568947959 /nfs/dbraw/zinc/94/79/59/568947959.db2.gz DNJKVZBPXMAUBO-UHFFFAOYSA-N 1 1 441.438 1.108 50 0 IDAAMO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)sc2n1 ZINC000169678768 568989986 /nfs/dbraw/zinc/98/99/86/568989986.db2.gz NDTWVKMOYUXMHI-WBVHZDCISA-N 1 1 432.594 1.914 50 0 IDAAMO CC(C)[C@H](O)C[N@@H+]1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680480 568992084 /nfs/dbraw/zinc/99/20/84/568992084.db2.gz NNRXMCVLIFZRRB-FGZHOGPDSA-N 1 1 437.556 1.318 50 0 IDAAMO CC(C)[C@H](O)C[N@H+]1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680480 568992085 /nfs/dbraw/zinc/99/20/85/568992085.db2.gz NNRXMCVLIFZRRB-FGZHOGPDSA-N 1 1 437.556 1.318 50 0 IDAAMO CCn1c2c(C(=O)NCCOC)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967779 569001342 /nfs/dbraw/zinc/00/13/42/569001342.db2.gz FEMXBCNCTZTQIY-UHFFFAOYSA-N 1 1 439.516 1.459 50 0 IDAAMO CCn1c2c(C(=O)NCCOC)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967779 569001344 /nfs/dbraw/zinc/00/13/44/569001344.db2.gz FEMXBCNCTZTQIY-UHFFFAOYSA-N 1 1 439.516 1.459 50 0 IDAAMO Cn1c(=O)c(C(=O)NCC[N@@H+](C)Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966869 569001557 /nfs/dbraw/zinc/00/15/57/569001557.db2.gz LIAQTQYXOLRPAE-UHFFFAOYSA-N 1 1 427.892 1.446 50 0 IDAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)C2)cc1 ZINC000064966797 569001570 /nfs/dbraw/zinc/00/15/70/569001570.db2.gz MZXOLKPFAYISFH-FQEVSTJZSA-N 1 1 447.539 1.800 50 0 IDAAMO Cc1c2c(nn1-c1ccccc1)c(C)nn([C@@H](C)C(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000064971186 569076449 /nfs/dbraw/zinc/07/64/49/569076449.db2.gz MPCUVFPAZPRZKQ-SFHVURJKSA-N 1 1 438.532 1.599 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000065061725 569096760 /nfs/dbraw/zinc/09/67/60/569096760.db2.gz SIUKLTGDXBLFKE-UHFFFAOYSA-N 1 1 442.651 1.683 50 0 IDAAMO C[C@@H](NC(=O)COc1ccccc1)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036396344 569098992 /nfs/dbraw/zinc/09/89/92/569098992.db2.gz LGZQORCTJMLMMK-GOSISDBHSA-N 1 1 448.564 1.629 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)CC1 ZINC000065130214 569109044 /nfs/dbraw/zinc/10/90/44/569109044.db2.gz XHUDVKGGVRTQNK-UHFFFAOYSA-N 1 1 434.540 1.835 50 0 IDAAMO COc1c2c(c(CNC(=O)c3cccc(NS(C)(=O)=O)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000524730278 569125893 /nfs/dbraw/zinc/12/58/93/569125893.db2.gz CZTRELDZQNPYQP-UHFFFAOYSA-N 1 1 447.513 1.713 50 0 biogenic IDAAMO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524732237 569126836 /nfs/dbraw/zinc/12/68/36/569126836.db2.gz RDJLNTNYJQEVSE-SJORKVTESA-N 1 1 449.507 1.747 50 0 biogenic IDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)NCc3cccc(NS(C)(=O)=O)c3)CC2)c1 ZINC000089672760 569161069 /nfs/dbraw/zinc/16/10/69/569161069.db2.gz MXOXEGGMWBJJEH-UHFFFAOYSA-N 1 1 445.589 1.988 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000195528719 569204171 /nfs/dbraw/zinc/20/41/71/569204171.db2.gz BARKDVHMEYZLPF-HXUWFJFHSA-N 1 1 438.528 1.640 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000195528719 569204173 /nfs/dbraw/zinc/20/41/73/569204173.db2.gz BARKDVHMEYZLPF-HXUWFJFHSA-N 1 1 438.528 1.640 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000195528719 569204175 /nfs/dbraw/zinc/20/41/75/569204175.db2.gz BARKDVHMEYZLPF-HXUWFJFHSA-N 1 1 438.528 1.640 50 0 IDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385990 569264212 /nfs/dbraw/zinc/26/42/12/569264212.db2.gz VDTPQSMPHAKDCF-IHVXWDLPSA-N 1 1 429.448 1.988 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(F)cc2)cc1 ZINC000013371698 569315038 /nfs/dbraw/zinc/31/50/38/569315038.db2.gz IVQNBZNDGICHAQ-OALUTQOASA-N 1 1 427.519 1.606 50 0 IDAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000079060981 569323904 /nfs/dbraw/zinc/32/39/04/569323904.db2.gz ILLGNPXGINGWKR-OWCLPIDISA-N 1 1 429.608 1.772 50 0 IDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019938623 569332151 /nfs/dbraw/zinc/33/21/51/569332151.db2.gz QQHLEUBUHJJBHE-MRXNPFEDSA-N 1 1 431.327 1.980 50 0 IDAAMO Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](C)CC3)cc12 ZINC000020135971 569335682 /nfs/dbraw/zinc/33/56/82/569335682.db2.gz SUVJYGNZKFMCNO-UHFFFAOYSA-N 1 1 425.533 1.873 50 0 IDAAMO COc1ccc(CNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000020287680 569359303 /nfs/dbraw/zinc/35/93/03/569359303.db2.gz WNDHZNNGXGSQGJ-OXJNMPFZSA-N 1 1 430.574 1.866 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000021530965 569388045 /nfs/dbraw/zinc/38/80/45/569388045.db2.gz JZVHDEAURCVOLW-OPAMFIHVSA-N 1 1 432.569 1.104 50 0 IDAAMO Cc1nn(CC(=O)NCCC[NH+]2CCOCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400151 569400342 /nfs/dbraw/zinc/40/03/42/569400342.db2.gz PZZUTOVUDWBFMD-UHFFFAOYSA-N 1 1 427.530 1.667 50 0 IDAAMO O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031810676 569457669 /nfs/dbraw/zinc/45/76/69/569457669.db2.gz NLFRCMFAOAMPBL-NRFANRHFSA-N 1 1 434.540 1.890 50 0 IDAAMO CN(C)C(=O)N1CCC(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)CC1 ZINC000670456220 569458475 /nfs/dbraw/zinc/45/84/75/569458475.db2.gz VIWIZIJZUAHLBT-MMPATGFWSA-N 1 1 425.577 1.064 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670468601 569462384 /nfs/dbraw/zinc/46/23/84/569462384.db2.gz QXYGWMJXOLZYBP-PDGCRQIGSA-N 1 1 427.570 1.850 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670468601 569462385 /nfs/dbraw/zinc/46/23/85/569462385.db2.gz QXYGWMJXOLZYBP-PDGCRQIGSA-N 1 1 427.570 1.850 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(C)cc4)c(=O)c3s2)CC1 ZINC000067225897 569465228 /nfs/dbraw/zinc/46/52/28/569465228.db2.gz XHMVPRYAGPTNDN-UHFFFAOYSA-N 1 1 426.546 1.620 50 0 IDAAMO Cc1ccsc1C[N@@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008855624 569479668 /nfs/dbraw/zinc/47/96/68/569479668.db2.gz UAIATJOHZWJSRR-UHFFFAOYSA-N 1 1 427.530 1.632 50 0 IDAAMO Cc1ccsc1C[N@H+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008855624 569479669 /nfs/dbraw/zinc/47/96/69/569479669.db2.gz UAIATJOHZWJSRR-UHFFFAOYSA-N 1 1 427.530 1.632 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000040081493 569486625 /nfs/dbraw/zinc/48/66/25/569486625.db2.gz PJSFWMUDPZRYJK-MSOLQXFVSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000040081493 569486626 /nfs/dbraw/zinc/48/66/26/569486626.db2.gz PJSFWMUDPZRYJK-MSOLQXFVSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000040081493 569486627 /nfs/dbraw/zinc/48/66/27/569486627.db2.gz PJSFWMUDPZRYJK-MSOLQXFVSA-N 1 1 426.483 1.892 50 0 IDAAMO COc1ccccc1COC[C@H](O)C[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040105780 569488266 /nfs/dbraw/zinc/48/82/66/569488266.db2.gz XNJWXTLNFRZYAU-HXUWFJFHSA-N 1 1 429.565 1.708 50 0 IDAAMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000040119090 569489367 /nfs/dbraw/zinc/48/93/67/569489367.db2.gz ZAZLUWBMUHIDEM-UFYCRDLUSA-N 1 1 426.941 1.728 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 ZINC000040286526 569498126 /nfs/dbraw/zinc/49/81/26/569498126.db2.gz LVQZNTKFSDVMLO-INIZCTEOSA-N 1 1 438.550 1.164 50 0 IDAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009620185 569553452 /nfs/dbraw/zinc/55/34/52/569553452.db2.gz ZGDKKGHVOGFZRQ-HXUWFJFHSA-N 1 1 434.537 1.834 50 0 IDAAMO CCOCCn1c(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714578 569562837 /nfs/dbraw/zinc/56/28/37/569562837.db2.gz DGKNTBCAQQCWNA-YFHOEESVSA-N 1 1 438.532 1.295 50 0 IDAAMO COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-n3cc[nH+]c3C)nn2)CC1 ZINC000077197074 569586165 /nfs/dbraw/zinc/58/61/65/569586165.db2.gz DVFRNKLVCASZIP-UHFFFAOYSA-N 1 1 432.481 1.629 50 0 IDAAMO C[NH+]1CCN(c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ncn2)CC1 ZINC000077200508 569586451 /nfs/dbraw/zinc/58/64/51/569586451.db2.gz ALFGYQBKOADCCY-UHFFFAOYSA-N 1 1 444.561 1.655 50 0 IDAAMO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020774826 519234250 /nfs/dbraw/zinc/23/42/50/519234250.db2.gz IPENFWJDWFSHAD-JWQCQUIFSA-N 1 1 444.664 1.640 50 0 IDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020774826 519234257 /nfs/dbraw/zinc/23/42/57/519234257.db2.gz IPENFWJDWFSHAD-JWQCQUIFSA-N 1 1 444.664 1.640 50 0 IDAAMO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000035422042 519736227 /nfs/dbraw/zinc/73/62/27/519736227.db2.gz YQQKRLROJYBWLG-LJQANCHMSA-N 1 1 443.592 1.784 50 0 IDAAMO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000035422042 519736229 /nfs/dbraw/zinc/73/62/29/519736229.db2.gz YQQKRLROJYBWLG-LJQANCHMSA-N 1 1 443.592 1.784 50 0 IDAAMO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022097055 519742305 /nfs/dbraw/zinc/74/23/05/519742305.db2.gz LXUWTSYZKPQNIH-UHFFFAOYSA-N 1 1 445.608 1.933 50 0 IDAAMO CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022097055 519742306 /nfs/dbraw/zinc/74/23/06/519742306.db2.gz LXUWTSYZKPQNIH-UHFFFAOYSA-N 1 1 445.608 1.933 50 0 IDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000035401376 520644690 /nfs/dbraw/zinc/64/46/90/520644690.db2.gz HWLYVRAVJAUTML-UHFFFAOYSA-N 1 1 438.638 1.964 50 0 IDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)c1C ZINC000035482203 521378128 /nfs/dbraw/zinc/37/81/28/521378128.db2.gz ARYOWEMZUYLPNU-SFHVURJKSA-N 1 1 448.564 1.499 50 0 IDAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCN(CC)CC3)cc2)c1N ZINC000021652075 521579389 /nfs/dbraw/zinc/57/93/89/521579389.db2.gz ZPLHBNLEXNUEAQ-UHFFFAOYSA-N 1 1 428.537 1.389 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875603 521670133 /nfs/dbraw/zinc/67/01/33/521670133.db2.gz NSIJSMGVPLOGEZ-QHCPKHFHSA-N 1 1 444.580 1.344 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1 ZINC000020466592 521681438 /nfs/dbraw/zinc/68/14/38/521681438.db2.gz NXYWJBPZFLAVOL-QGZVFWFLSA-N 1 1 449.625 1.025 50 0 IDAAMO COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697650 522064033 /nfs/dbraw/zinc/06/40/33/522064033.db2.gz KSCMAOPJRZPAKD-NRFANRHFSA-N 1 1 435.952 1.861 50 0 IDAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196754 522088786 /nfs/dbraw/zinc/08/87/86/522088786.db2.gz BGERZPUOVDSXPY-QGZVFWFLSA-N 1 1 445.497 1.650 50 0 IDAAMO COc1cc(C[NH2+]CCSc2nc[nH]n2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012457536 522454064 /nfs/dbraw/zinc/45/40/64/522454064.db2.gz DJSDIQIIGBVMRL-INIZCTEOSA-N 1 1 439.607 1.484 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3cc[nH+]c3C)ncn2)CC1 ZINC000035598103 523847021 /nfs/dbraw/zinc/84/70/21/523847021.db2.gz NWRPEXBNSGFHQM-UHFFFAOYSA-N 1 1 428.518 1.799 50 0 IDAAMO C[NH+]1CCN(CC(=O)N2CCc3c4ccccc4[nH]c3[C@]23c2ccccc2NC3=O)CC1 ZINC000020636509 523891905 /nfs/dbraw/zinc/89/19/05/523891905.db2.gz KNXNFZNQVLNUGG-VWLOTQADSA-N 1 1 429.524 1.996 50 0 biogenic IDAAMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)CC1 ZINC000058183106 523910894 /nfs/dbraw/zinc/91/08/94/523910894.db2.gz GJZPBTRPFMZACL-UHFFFAOYSA-N 1 1 431.540 1.969 50 0 IDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCCC2)CC1 ZINC000012554522 523927915 /nfs/dbraw/zinc/92/79/15/523927915.db2.gz OQIQJGCQEDASOU-UHFFFAOYSA-N 1 1 436.578 1.588 50 0 IDAAMO Cc1cccc(CN2CCCn3nc(C(=O)NCCC[NH+]4CCOCC4)cc3C2=O)c1 ZINC000035429371 524396651 /nfs/dbraw/zinc/39/66/51/524396651.db2.gz CEAIOJVXXLQNNH-UHFFFAOYSA-N 1 1 425.533 1.690 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(Cc2cc(C)ccc2C)CC1 ZINC000022816413 525943852 /nfs/dbraw/zinc/94/38/52/525943852.db2.gz FKHLYFXJSMVIQW-UHFFFAOYSA-N 1 1 449.559 1.419 50 0 IDAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1OC ZINC000020999589 525954306 /nfs/dbraw/zinc/95/43/06/525954306.db2.gz VYHODTPFZVIISE-SFHVURJKSA-N 1 1 429.521 1.191 50 0 IDAAMO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)sc2n1 ZINC000021148495 526146413 /nfs/dbraw/zinc/14/64/13/526146413.db2.gz NDTWVKMOYUXMHI-DOTOQJQBSA-N 1 1 432.594 1.914 50 0 IDAAMO CSc1ccccc1NC(=O)C[N@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012520414 526167898 /nfs/dbraw/zinc/16/78/98/526167898.db2.gz MFCZKCYXICYILF-UHFFFAOYSA-N 1 1 430.534 1.116 50 0 IDAAMO CSc1ccccc1NC(=O)C[N@@H+](C)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012520414 526167906 /nfs/dbraw/zinc/16/79/06/526167906.db2.gz MFCZKCYXICYILF-UHFFFAOYSA-N 1 1 430.534 1.116 50 0 IDAAMO O=C([C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021940517 526532345 /nfs/dbraw/zinc/53/23/45/526532345.db2.gz FHBYLGIWBGVDQK-HXUWFJFHSA-N 1 1 427.526 1.711 50 0 IDAAMO O=C(CCc1cccnc1)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000012151813 526618121 /nfs/dbraw/zinc/61/81/21/526618121.db2.gz HOZJXXVWLAAJQO-UHFFFAOYSA-N 1 1 448.527 1.752 50 0 IDAAMO NC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012459054 526855136 /nfs/dbraw/zinc/85/51/36/526855136.db2.gz HUPOOSLLFQWLPD-HSZRJFAPSA-N 1 1 448.567 1.733 50 0 IDAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NC[C@@H]1CCCO1 ZINC000022807572 527002809 /nfs/dbraw/zinc/00/28/09/527002809.db2.gz OASPQPUCNUZCFS-FQEVSTJZSA-N 1 1 441.528 1.632 50 0 IDAAMO Cc1nc2nc(-c3ccccc3Cl)nn2c(C)c1CC(=O)N1CC[NH+](CCO)CC1 ZINC000021798694 527198462 /nfs/dbraw/zinc/19/84/62/527198462.db2.gz REVYHVANRVOFAE-UHFFFAOYSA-N 1 1 428.924 1.741 50 0 IDAAMO Cn1cccc1[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000021151965 527402509 /nfs/dbraw/zinc/40/25/09/527402509.db2.gz OTHLUSVBCPMXAO-JOCHJYFZSA-N 1 1 444.601 1.912 50 0 IDAAMO Cn1cccc1[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000021151965 527402518 /nfs/dbraw/zinc/40/25/18/527402518.db2.gz OTHLUSVBCPMXAO-JOCHJYFZSA-N 1 1 444.601 1.912 50 0 IDAAMO C[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676705 555794646 /nfs/dbraw/zinc/79/46/46/555794646.db2.gz MDRVGKRZPWKGFW-UHFFFAOYSA-N 1 1 428.562 1.325 50 0 IDAAMO CC[N@@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C(N)=O)C1 ZINC000002750573 555810112 /nfs/dbraw/zinc/81/01/12/555810112.db2.gz OTQKAHRUXNISID-UHFFFAOYSA-N 1 1 426.955 1.739 50 0 IDAAMO CC[N@H+]1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C(N)=O)C1 ZINC000002750573 555810116 /nfs/dbraw/zinc/81/01/16/555810116.db2.gz OTQKAHRUXNISID-UHFFFAOYSA-N 1 1 426.955 1.739 50 0 IDAAMO CC(=O)N1CCN(C(=O)c2csc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000034685184 555820549 /nfs/dbraw/zinc/82/05/49/555820549.db2.gz KDDFUWDPPDXZRS-UHFFFAOYSA-N 1 1 427.574 1.765 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)N1CCSc2nnc(COc3ccccc3F)n21 ZINC000034830964 555911937 /nfs/dbraw/zinc/91/19/37/555911937.db2.gz NFYYYFSHINREJL-UHFFFAOYSA-N 1 1 436.513 1.472 50 0 IDAAMO O=C1CCC(=O)N1CN1CCC(CCCC2CC[NH+](CN3C(=O)CCC3=O)CC2)CC1 ZINC000004322702 555986427 /nfs/dbraw/zinc/98/64/27/555986427.db2.gz KGXGEEJLNROPBI-UHFFFAOYSA-N 1 1 432.565 1.794 50 0 IDAAMO COc1cccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N3CCCC3)c2)c1 ZINC000065025319 556302228 /nfs/dbraw/zinc/30/22/28/556302228.db2.gz XNWDZRURWMMTLB-UHFFFAOYSA-N 1 1 445.545 1.537 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000009763396 556308610 /nfs/dbraw/zinc/30/86/10/556308610.db2.gz HQHOJDCECBCHFF-QGZVFWFLSA-N 1 1 436.468 1.475 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2cnc(N3CCSCC3)nc2)CC1 ZINC000065166836 556413294 /nfs/dbraw/zinc/41/32/94/556413294.db2.gz QYUPFMDMDZKQSR-UHFFFAOYSA-N 1 1 434.610 1.085 50 0 IDAAMO COc1cc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc2c1OCO2 ZINC000014882020 556454113 /nfs/dbraw/zinc/45/41/13/556454113.db2.gz UDCGSUFRHTYYLJ-UHFFFAOYSA-N 1 1 449.511 1.933 50 0 IDAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc2c1OCO2 ZINC000014882020 556454114 /nfs/dbraw/zinc/45/41/14/556454114.db2.gz UDCGSUFRHTYYLJ-UHFFFAOYSA-N 1 1 449.511 1.933 50 0 IDAAMO COc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@H+](C)C4)n3CC2)c1OC ZINC000014957124 556462657 /nfs/dbraw/zinc/46/26/57/556462657.db2.gz SDUXJKUQQWZWED-GOSISDBHSA-N 1 1 442.564 1.312 50 0 IDAAMO COc1cccc(CN2CCc3nnc(CNC(=O)[C@@H]4CCC[N@@H+](C)C4)n3CC2)c1OC ZINC000014957124 556462661 /nfs/dbraw/zinc/46/26/61/556462661.db2.gz SDUXJKUQQWZWED-GOSISDBHSA-N 1 1 442.564 1.312 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1 ZINC000014993403 556476105 /nfs/dbraw/zinc/47/61/05/556476105.db2.gz UTANVYQHAYXUJC-IBGZPJMESA-N 1 1 437.566 1.600 50 0 IDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000029838739 556483770 /nfs/dbraw/zinc/48/37/70/556483770.db2.gz QOTLJMABGNFHTC-UHFFFAOYSA-N 1 1 443.569 1.886 50 0 IDAAMO O=C(CCC1CCN(C(=O)Cn2cnnn2)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000015079568 556500788 /nfs/dbraw/zinc/50/07/88/556500788.db2.gz LFENAMIFGUCILH-HXUWFJFHSA-N 1 1 425.537 1.083 50 0 IDAAMO Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000030637420 556500802 /nfs/dbraw/zinc/50/08/02/556500802.db2.gz JTYCGQGQPIVXLT-UHFFFAOYSA-N 1 1 437.544 1.749 50 0 IDAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)N1CC[NH+](C)CC1 ZINC000013557314 556517275 /nfs/dbraw/zinc/51/72/75/556517275.db2.gz DYETYILBGCWBFC-XKTJCTHUSA-N 1 1 430.574 1.561 50 0 IDAAMO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)C1=O ZINC000013624069 556536559 /nfs/dbraw/zinc/53/65/59/556536559.db2.gz PLBGGYHBAOLZIC-CZUORRHYSA-N 1 1 437.338 1.573 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000033318410 556560857 /nfs/dbraw/zinc/56/08/57/556560857.db2.gz HQMUEXVALJZLMO-UHFFFAOYSA-N 1 1 447.561 1.531 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1C ZINC000033318422 556560971 /nfs/dbraw/zinc/56/09/71/556560971.db2.gz UXQXQBPFXXOLPX-UHFFFAOYSA-N 1 1 447.561 1.450 50 0 IDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000016010005 556573633 /nfs/dbraw/zinc/57/36/33/556573633.db2.gz ZHQYWYBWLDLABC-CCFTVXDOSA-N 1 1 442.834 1.280 50 0 IDAAMO CCCCN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034800931 556582658 /nfs/dbraw/zinc/58/26/58/556582658.db2.gz GFYXCHBSJVZTTB-UHFFFAOYSA-N 1 1 427.549 1.966 50 0 IDAAMO CCCCN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034800931 556582661 /nfs/dbraw/zinc/58/26/61/556582661.db2.gz GFYXCHBSJVZTTB-UHFFFAOYSA-N 1 1 427.549 1.966 50 0 IDAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413142 556640469 /nfs/dbraw/zinc/64/04/69/556640469.db2.gz DKZSICJNZLBYGL-XLIONFOSSA-N 1 1 428.533 1.842 50 0 biogenic IDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000018190026 556686169 /nfs/dbraw/zinc/68/61/69/556686169.db2.gz RCARZGFGKPXDJZ-CYBMUJFWSA-N 1 1 427.242 1.120 50 0 IDAAMO CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000062022943 556766654 /nfs/dbraw/zinc/76/66/54/556766654.db2.gz VKIAZWPSDGYDIN-AWEZNQCLSA-N 1 1 439.563 1.114 50 0 IDAAMO CS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000062022943 556766656 /nfs/dbraw/zinc/76/66/56/556766656.db2.gz VKIAZWPSDGYDIN-AWEZNQCLSA-N 1 1 439.563 1.114 50 0 IDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@H](C(=O)N(C)C)Oc3ccccc32)CC1 ZINC000058407381 556786103 /nfs/dbraw/zinc/78/61/03/556786103.db2.gz CVONZZWPALHWJD-HSZRJFAPSA-N 1 1 436.556 1.995 50 0 IDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3c4ccccc4n(C)c(=O)c3=O)CC2)c1C ZINC000033068453 556822912 /nfs/dbraw/zinc/82/29/12/556822912.db2.gz BICZNKIEPUITAU-UHFFFAOYSA-N 1 1 449.555 1.255 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2OC)cc1 ZINC000019589739 556824594 /nfs/dbraw/zinc/82/45/94/556824594.db2.gz SNJKCSZYEBDHDT-UHFFFAOYSA-N 1 1 433.530 1.673 50 0 IDAAMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)CC1 ZINC000019589753 556824676 /nfs/dbraw/zinc/82/46/76/556824676.db2.gz QSQVEPSNLJYVCS-UHFFFAOYSA-N 1 1 437.949 1.971 50 0 IDAAMO COc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000019589729 556824681 /nfs/dbraw/zinc/82/46/81/556824681.db2.gz VQDHTAUTIDFAMJ-UHFFFAOYSA-N 1 1 433.530 1.673 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c(OC)c1 ZINC000065362913 556834557 /nfs/dbraw/zinc/83/45/57/556834557.db2.gz FNJILYJVWIHZLO-UHFFFAOYSA-N 1 1 447.561 1.913 50 0 IDAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(CO)o1)CC2 ZINC000019739744 556878841 /nfs/dbraw/zinc/87/88/41/556878841.db2.gz NJMIAVCYWGHESQ-MRXNPFEDSA-N 1 1 425.489 1.678 50 0 IDAAMO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(CO)o1)CC2 ZINC000019739744 556878845 /nfs/dbraw/zinc/87/88/45/556878845.db2.gz NJMIAVCYWGHESQ-MRXNPFEDSA-N 1 1 425.489 1.678 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc1 ZINC000033254560 556890760 /nfs/dbraw/zinc/89/07/60/556890760.db2.gz QOWRMJMNBVLDSB-UHFFFAOYSA-N 1 1 436.622 1.540 50 0 IDAAMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000019800450 556917394 /nfs/dbraw/zinc/91/73/94/556917394.db2.gz PMGDWXGFGWOHCU-UHFFFAOYSA-N 1 1 447.557 1.982 50 0 IDAAMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019838225 556928792 /nfs/dbraw/zinc/92/87/92/556928792.db2.gz UUACDXCYDBOKTC-LJQANCHMSA-N 1 1 441.532 1.656 50 0 IDAAMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000019938142 556952278 /nfs/dbraw/zinc/95/22/78/556952278.db2.gz RNCVFLADSZVSPL-OAHLLOKOSA-N 1 1 429.970 1.913 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019943748 556953815 /nfs/dbraw/zinc/95/38/15/556953815.db2.gz DGHVPQNQSFDCIA-UHFFFAOYSA-N 1 1 447.557 1.729 50 0 IDAAMO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000019943121 556953972 /nfs/dbraw/zinc/95/39/72/556953972.db2.gz WTMJCZXOLYIDGX-UHFFFAOYSA-N 1 1 435.521 1.860 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1 ZINC000072438075 556973034 /nfs/dbraw/zinc/97/30/34/556973034.db2.gz DOLSBNBVLABBSQ-UHFFFAOYSA-N 1 1 430.578 1.356 50 0 IDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046140755 557042271 /nfs/dbraw/zinc/04/22/71/557042271.db2.gz QREJFXAAWHIRNT-UHFFFAOYSA-N 1 1 435.521 1.712 50 0 IDAAMO CCN1CCN(C[C@@H](O)COc2ccc(CN(C)CC[NH+](CC)CC)cc2OC)CC1 ZINC000022920233 557047057 /nfs/dbraw/zinc/04/70/57/557047057.db2.gz IKIGHFYMUFITQU-JOCHJYFZSA-N 1 1 436.641 1.846 50 0 IDAAMO CC[N@@H+](CCc1ccccn1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000048303812 557058829 /nfs/dbraw/zinc/05/88/29/557058829.db2.gz ZIMMWSFFEHTFBL-UHFFFAOYSA-N 1 1 434.537 1.618 50 0 IDAAMO Cc1nc(C)n(CCNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082120877 557058822 /nfs/dbraw/zinc/05/88/22/557058822.db2.gz TTXLBVZMFFSMNE-NRFANRHFSA-N 1 1 425.581 1.783 50 0 IDAAMO COc1cc(OC)cc(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)c1 ZINC000082230451 557061568 /nfs/dbraw/zinc/06/15/68/557061568.db2.gz DDBMLSRTFBDCPE-UHFFFAOYSA-N 1 1 426.521 1.208 50 0 IDAAMO O=C(CN1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1)N1CCCCC1 ZINC000048302592 557064025 /nfs/dbraw/zinc/06/40/25/557064025.db2.gz YIFJKNYMZJISDG-QFIPXVFZSA-N 1 1 430.618 1.933 50 0 IDAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000048344903 557072008 /nfs/dbraw/zinc/07/20/08/557072008.db2.gz ATCQGZNHCZIYLC-YVWKXTFCSA-N 1 1 433.574 1.893 50 0 IDAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000023338770 557085153 /nfs/dbraw/zinc/08/51/53/557085153.db2.gz WEEBPTLLJALJOS-IBGZPJMESA-N 1 1 427.549 1.351 50 0 IDAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000023338770 557085155 /nfs/dbraw/zinc/08/51/55/557085155.db2.gz WEEBPTLLJALJOS-IBGZPJMESA-N 1 1 427.549 1.351 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@H](CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 ZINC000023701743 557107977 /nfs/dbraw/zinc/10/79/77/557107977.db2.gz TWKXAILBHAGNNW-KRWDZBQOSA-N 1 1 428.624 1.467 50 0 IDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2)[NH+]1CCCC1 ZINC000049512838 557114172 /nfs/dbraw/zinc/11/41/72/557114172.db2.gz ABCQOHQIIYGNCJ-FQEVSTJZSA-N 1 1 435.528 1.752 50 0 IDAAMO O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH+]3CCCCC3)C2=O)cc1 ZINC000000688187 557135868 /nfs/dbraw/zinc/13/58/68/557135868.db2.gz GEUXJOUPTCNTDK-PMACEKPBSA-N 1 1 438.528 1.922 50 0 IDAAMO C[C@H]([N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C ZINC000027135848 557257505 /nfs/dbraw/zinc/25/75/05/557257505.db2.gz CKFQGRZFRKSLPX-INIZCTEOSA-N 1 1 439.578 1.657 50 0 IDAAMO O=c1occ(C[NH+]2CCCCCC2)c(O)c1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000101374576 557281054 /nfs/dbraw/zinc/28/10/54/557281054.db2.gz YRRZOAXMZNQRFR-SFHVURJKSA-N 1 1 439.578 1.026 50 0 IDAAMO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023335560 557348287 /nfs/dbraw/zinc/34/82/87/557348287.db2.gz ZKLXKTWAJDPADN-UHFFFAOYSA-N 1 1 438.488 1.589 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000105349107 557495795 /nfs/dbraw/zinc/49/57/95/557495795.db2.gz BBRJAESPJYCZMT-NHRZQYMUSA-N 1 1 427.407 1.266 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000105377423 557496924 /nfs/dbraw/zinc/49/69/24/557496924.db2.gz JBPHKLSPHJFFQO-XYCWUBKJSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000045945492 557553970 /nfs/dbraw/zinc/55/39/70/557553970.db2.gz NQLKIRURRVSINS-BGYRXZFFSA-N 1 1 436.622 1.762 50 0 IDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000045945492 557553973 /nfs/dbraw/zinc/55/39/73/557553973.db2.gz NQLKIRURRVSINS-BGYRXZFFSA-N 1 1 436.622 1.762 50 0 IDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 ZINC000241144864 557846004 /nfs/dbraw/zinc/84/60/04/557846004.db2.gz JTTBRRGIJWAMCM-LMNJBCLMSA-N 1 1 432.613 1.498 50 0 IDAAMO O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000242273823 557847575 /nfs/dbraw/zinc/84/75/75/557847575.db2.gz YGBWMRAGSSPGIA-QGZVFWFLSA-N 1 1 427.954 1.426 50 0 IDAAMO O=S(=O)(c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1)N1CCOCC1 ZINC000003211802 562932767 /nfs/dbraw/zinc/93/27/67/562932767.db2.gz HOOCPWROUKOPRU-HXUWFJFHSA-N 1 1 432.542 1.506 50 0 IDAAMO CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CC[NH+](C)CC3)c(=O)c3ccccc32)CC1 ZINC000020153481 563023891 /nfs/dbraw/zinc/02/38/91/563023891.db2.gz PASKLLGOCWMGGR-UHFFFAOYSA-N 1 1 446.573 1.196 50 0 IDAAMO C[C@@H](NC(=O)C(=O)N1CCOCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288226 563024384 /nfs/dbraw/zinc/02/43/84/563024384.db2.gz ONSRSVXXFYQFPE-WIYYLYMNSA-N 1 1 442.585 1.975 50 0 IDAAMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000028630287 563059776 /nfs/dbraw/zinc/05/97/76/563059776.db2.gz DGQRZLKOGKIMFI-GOSISDBHSA-N 1 1 436.512 1.007 50 0 IDAAMO COc1ccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CNC3=O)cc1 ZINC000263619095 568777819 /nfs/dbraw/zinc/77/78/19/568777819.db2.gz WVXQEWIWPKBQLX-HXUWFJFHSA-N 1 1 441.513 1.280 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967482 568860607 /nfs/dbraw/zinc/86/06/07/568860607.db2.gz HBCVETSGEQSJJA-XVIHEJCXSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968282 568861256 /nfs/dbraw/zinc/86/12/56/568861256.db2.gz LPHFXVHCLFLXOK-PRHHBONVSA-N 1 1 439.899 1.604 50 0 biogenic IDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327359 568915074 /nfs/dbraw/zinc/91/50/74/568915074.db2.gz OPNZIEVNEBUACP-HXSDUIHRSA-N 1 1 436.306 1.349 50 0 IDAAMO C[NH+]1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(Br)cc3)n2)CC1 ZINC000089382580 568921442 /nfs/dbraw/zinc/92/14/42/568921442.db2.gz PWQPQRKUMFRSQY-UHFFFAOYSA-N 1 1 436.310 1.437 50 0 IDAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccnc3)[C@@H]2C1)N1CCCC1 ZINC000035869697 568930670 /nfs/dbraw/zinc/93/06/70/568930670.db2.gz LESCKVPLAIWXBW-GMAHTHKFSA-N 1 1 433.556 1.683 50 0 IDAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccnc3)[C@@H]2C1)N1CCCC1 ZINC000035869697 568930673 /nfs/dbraw/zinc/93/06/73/568930673.db2.gz LESCKVPLAIWXBW-GMAHTHKFSA-N 1 1 433.556 1.683 50 0 IDAAMO CCn1c2c(C(=O)NCC[NH+]3CCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835879 568968948 /nfs/dbraw/zinc/96/89/48/568968948.db2.gz NGSIUMQSFLBRIS-UHFFFAOYSA-N 1 1 448.571 1.900 50 0 IDAAMO CCCCNC(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025330 569090609 /nfs/dbraw/zinc/09/06/09/569090609.db2.gz LGZGNGBNDBOIIL-UHFFFAOYSA-N 1 1 447.561 1.831 50 0 IDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000036398712 569101400 /nfs/dbraw/zinc/10/14/00/569101400.db2.gz WIRATMBBXXVZMW-GJZGRUSLSA-N 1 1 431.986 1.965 50 0 IDAAMO Cc1scc2nc(C(=O)NCCC[NH+]3CCN(C)CC3)nc(N3CCSCC3)c12 ZINC000065283417 569130135 /nfs/dbraw/zinc/13/01/35/569130135.db2.gz BTFPJRXQKLQTGR-UHFFFAOYSA-N 1 1 434.635 1.920 50 0 IDAAMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000036664288 569130324 /nfs/dbraw/zinc/13/03/24/569130324.db2.gz VSJVHBOAVFLYFW-HXUWFJFHSA-N 1 1 429.542 1.948 50 0 IDAAMO CC[C@@H]1CN(c2nc(C)nc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2)CCN1CCOC ZINC000170598863 569142439 /nfs/dbraw/zinc/14/24/39/569142439.db2.gz PUCPNKSCNANVMW-WOJBJXKFSA-N 1 1 435.617 1.274 50 0 IDAAMO CC[C@@H]1CN(c2nc(C)nc(N3CC[N@@H+](CCOC)[C@H](CC)C3)n2)CCN1CCOC ZINC000170598863 569142441 /nfs/dbraw/zinc/14/24/41/569142441.db2.gz PUCPNKSCNANVMW-WOJBJXKFSA-N 1 1 435.617 1.274 50 0 IDAAMO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000252513153 569188976 /nfs/dbraw/zinc/18/89/76/569188976.db2.gz XQXIDAKSCBEZAG-YZLZLFLDSA-N 1 1 439.578 1.198 50 0 IDAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611406 569203010 /nfs/dbraw/zinc/20/30/10/569203010.db2.gz QPZZJSRFZQBPIM-FQEVSTJZSA-N 1 1 427.501 1.977 50 0 IDAAMO COc1ccc(C(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611406 569203011 /nfs/dbraw/zinc/20/30/11/569203011.db2.gz QPZZJSRFZQBPIM-FQEVSTJZSA-N 1 1 427.501 1.977 50 0 IDAAMO Cn1c2ccc([C@H](CC(N)=O)c3oc(C[NH+]4CCCCC4)cc(=O)c3O)cc2n(C)c1=O ZINC000253415140 569266340 /nfs/dbraw/zinc/26/63/40/569266340.db2.gz ZTECUYUIDJBKCP-INIZCTEOSA-N 1 1 440.500 1.529 50 0 biogenic IDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2ccc(C)cc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000019201006 569316580 /nfs/dbraw/zinc/31/65/80/569316580.db2.gz LVEPOBSQIZVTCD-UHFFFAOYSA-N 1 1 436.516 1.147 50 0 IDAAMO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287755 569359347 /nfs/dbraw/zinc/35/93/47/569359347.db2.gz TWTGTJWPBCWVED-OXQOHEQNSA-N 1 1 430.574 1.866 50 0 IDAAMO Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)C(C)C)cc1 ZINC000095399036 569363680 /nfs/dbraw/zinc/36/36/80/569363680.db2.gz WXTYTYYIBBOMRT-NRFANRHFSA-N 1 1 440.548 1.359 50 0 IDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccc(OC)cc3)c2=O)CC1 ZINC000096318166 569393742 /nfs/dbraw/zinc/39/37/42/569393742.db2.gz OTEWLURFPBAUQO-UHFFFAOYSA-N 1 1 436.512 1.634 50 0 IDAAMO O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670444735 569451713 /nfs/dbraw/zinc/45/17/13/569451713.db2.gz HTIOHSHGAKCRBP-ZOOHCMMUSA-N 1 1 449.530 1.902 50 0 IDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000031906478 569458357 /nfs/dbraw/zinc/45/83/57/569458357.db2.gz WOPQIIXAPSDSGI-QGZVFWFLSA-N 1 1 442.951 1.811 50 0 IDAAMO COc1cc(S(=O)(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)c(C)cc1C ZINC000038488314 569463018 /nfs/dbraw/zinc/46/30/18/569463018.db2.gz RQPAPAGMXPTGOU-UHFFFAOYSA-N 1 1 435.550 1.637 50 0 IDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286197 569466947 /nfs/dbraw/zinc/46/69/47/569466947.db2.gz OYNXGWXGLDUKJN-KRWDZBQOSA-N 1 1 437.338 1.868 50 0 IDAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCC4(CC3)OCCO4)C2C(=O)OC)cc1 ZINC000067287158 569467137 /nfs/dbraw/zinc/46/71/37/569467137.db2.gz QQLSSJZXHYDBJV-IBGZPJMESA-N 1 1 431.489 1.705 50 0 IDAAMO O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccccc2F)CC1 ZINC000067317440 569468446 /nfs/dbraw/zinc/46/84/46/569468446.db2.gz MFGFEMJAJUYDFA-UHFFFAOYSA-N 1 1 438.507 1.643 50 0 IDAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000040107864 569488513 /nfs/dbraw/zinc/48/85/13/569488513.db2.gz GUSKBXLGYRVZAY-NRFANRHFSA-N 1 1 441.576 1.618 50 0 IDAAMO COc1cccc(C[C@@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000040120297 569489441 /nfs/dbraw/zinc/48/94/41/569489441.db2.gz MVLCTDLGDCHDFZ-SFTDATJTSA-N 1 1 428.537 1.487 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040284024 569497921 /nfs/dbraw/zinc/49/79/21/569497921.db2.gz VYYZAMYHUHPMEK-MRXNPFEDSA-N 1 1 438.550 1.164 50 0 IDAAMO CCn1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000009304070 569521142 /nfs/dbraw/zinc/52/11/42/569521142.db2.gz FYIQJKBJDWEVII-AWEZNQCLSA-N 1 1 428.489 1.080 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000009307220 569521382 /nfs/dbraw/zinc/52/13/82/569521382.db2.gz HUDGZKHOKLTZCH-NSNOHRKYSA-N 1 1 435.411 1.986 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000009307220 569521383 /nfs/dbraw/zinc/52/13/83/569521383.db2.gz HUDGZKHOKLTZCH-NSNOHRKYSA-N 1 1 435.411 1.986 50 0 IDAAMO CCOc1ccc(NCCN2[NH+]=C(C)[C@@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000010108873 569577928 /nfs/dbraw/zinc/57/79/28/569577928.db2.gz KFEAQVZGHXGYON-CQSZACIVSA-N 1 1 425.493 1.701 50 0 IDAAMO CCOc1ccccc1NCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108857 569577954 /nfs/dbraw/zinc/57/79/54/569577954.db2.gz WHYYZWSULWXHPJ-CQSZACIVSA-N 1 1 425.493 1.701 50 0 IDAAMO Cn1nc(C2CC[NH+](CC(=O)Nc3ccc(C(N)=O)cc3)CC2)n(-c2ccccc2)c1=O ZINC000077100641 569585428 /nfs/dbraw/zinc/58/54/28/569585428.db2.gz KDZJRIRPKZZJRM-UHFFFAOYSA-N 1 1 434.500 1.488 50 0 IDAAMO CCc1ccccc1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](C)O)CC3)n2)CC1 ZINC000034677798 569587548 /nfs/dbraw/zinc/58/75/48/569587548.db2.gz RAOSRGWIWIAUJV-LJQANCHMSA-N 1 1 441.576 1.698 50 0 IDAAMO CCOC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677246 569587569 /nfs/dbraw/zinc/58/75/69/569587569.db2.gz WTXTTXIFBHBWRS-HXUWFJFHSA-N 1 1 428.533 1.931 50 0 IDAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)NCCc4c[nH]c5ccccc45)n3n2)CC1 ZINC000009431031 132317168 /nfs/dbraw/zinc/31/71/68/132317168.db2.gz XYSCFJMMGUYTCN-UHFFFAOYSA-N 1 1 432.532 1.649 50 0 IDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CC(C)(C)C)CC1 ZINC000009711930 132326962 /nfs/dbraw/zinc/32/69/62/132326962.db2.gz KUSQASYQJXWWAT-UHFFFAOYSA-N 1 1 438.594 1.834 50 0 IDAAMO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)ccc21 ZINC000012196855 519633161 /nfs/dbraw/zinc/63/31/61/519633161.db2.gz RHSOZTJQVNMHOE-LJQANCHMSA-N 1 1 431.514 1.906 50 0 IDAAMO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000035422029 519709501 /nfs/dbraw/zinc/70/95/01/519709501.db2.gz VMWPOVLBTVSULF-IBGZPJMESA-N 1 1 443.592 1.784 50 0 IDAAMO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000035422029 519709503 /nfs/dbraw/zinc/70/95/03/519709503.db2.gz VMWPOVLBTVSULF-IBGZPJMESA-N 1 1 443.592 1.784 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012806073 519729219 /nfs/dbraw/zinc/72/92/19/519729219.db2.gz YNRQHCAKLYUSDS-SFHVURJKSA-N 1 1 441.569 1.699 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012806086 519729753 /nfs/dbraw/zinc/72/97/53/519729753.db2.gz YNRQHCAKLYUSDS-GOSISDBHSA-N 1 1 441.569 1.699 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000022693649 519730773 /nfs/dbraw/zinc/73/07/73/519730773.db2.gz ULOWPZTVVAOJRU-MRXNPFEDSA-N 1 1 429.970 1.867 50 0 IDAAMO CCCC[N@@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887771 520474811 /nfs/dbraw/zinc/47/48/11/520474811.db2.gz OHNKIZJHSKXOOU-UHFFFAOYSA-N 1 1 443.610 1.672 50 0 biogenic IDAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)ccc1O ZINC000020907569 520699280 /nfs/dbraw/zinc/69/92/80/520699280.db2.gz DEJSJEOGBWYFCO-SFHVURJKSA-N 1 1 429.521 1.278 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCN(C)CC3)n2C)c1 ZINC000035561064 520815623 /nfs/dbraw/zinc/81/56/23/520815623.db2.gz 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CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCn3nc(C)cc3C)cc2OC)CC1 ZINC000020999332 521684749 /nfs/dbraw/zinc/68/47/49/521684749.db2.gz MHKNYXAOFJRAOJ-JOCHJYFZSA-N 1 1 445.608 1.676 50 0 IDAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CCn3nc(C)cc3C)cc2OC)CC1 ZINC000020999333 521687397 /nfs/dbraw/zinc/68/73/97/521687397.db2.gz MHKNYXAOFJRAOJ-QFIPXVFZSA-N 1 1 445.608 1.676 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)c(F)c4)c(=O)c3s2)CC1 ZINC000021886434 521701693 /nfs/dbraw/zinc/70/16/93/521701693.db2.gz CKCRETBAZSHKNK-UHFFFAOYSA-N 1 1 434.472 1.912 50 0 IDAAMO CCCN1C(=O)c2cc(C(=O)N3CC[NH+](CC)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877812 521702644 /nfs/dbraw/zinc/70/26/44/521702644.db2.gz MMYOARDWPVBQKK-QHCPKHFHSA-N 1 1 444.580 1.344 50 0 IDAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020614942 521775430 /nfs/dbraw/zinc/77/54/30/521775430.db2.gz JWUQODPRXBWLAM-MRXNPFEDSA-N 1 1 427.910 1.242 50 0 IDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc(OC)c1 ZINC000012279901 522399075 /nfs/dbraw/zinc/39/90/75/522399075.db2.gz VKKRYYGUQHXWEQ-IBGZPJMESA-N 1 1 437.566 1.600 50 0 IDAAMO COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000044891792 522418483 /nfs/dbraw/zinc/41/84/83/522418483.db2.gz IIUYXLIIIQHYRN-UHFFFAOYSA-N 1 1 449.982 1.683 50 0 IDAAMO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000021795886 522684703 /nfs/dbraw/zinc/68/47/03/522684703.db2.gz HTDADDNLPUUTAL-UHFFFAOYSA-N 1 1 442.520 1.993 50 0 IDAAMO CCc1nn(CCCC(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862394 522704537 /nfs/dbraw/zinc/70/45/37/522704537.db2.gz ANOMIFDHRRTVIG-UHFFFAOYSA-N 1 1 429.521 1.732 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 ZINC000021028376 523896287 /nfs/dbraw/zinc/89/62/87/523896287.db2.gz LPLUOKXZAIFNJQ-UHFFFAOYSA-N 1 1 449.625 1.025 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020546883 524020444 /nfs/dbraw/zinc/02/04/44/524020444.db2.gz BUPDNDBUWANODG-BWCBDTGESA-N 1 1 439.443 1.136 50 0 IDAAMO COc1ccc(C[NH2+]CCc2scnc2C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020877890 524070825 /nfs/dbraw/zinc/07/08/25/524070825.db2.gz LFJUGDNWCPBHHP-IBGZPJMESA-N 1 1 434.606 1.780 50 0 IDAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000020664148 524243114 /nfs/dbraw/zinc/24/31/14/524243114.db2.gz XWVJQYLUNILCQH-MRXNPFEDSA-N 1 1 427.542 1.698 50 0 IDAAMO COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020454391 524925379 /nfs/dbraw/zinc/92/53/79/524925379.db2.gz KCAGSTAENSVPRL-UHFFFAOYSA-N 1 1 445.560 1.927 50 0 IDAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022916521 524957621 /nfs/dbraw/zinc/95/76/21/524957621.db2.gz ZZSSUAKLPNEEPY-HNNXBMFYSA-N 1 1 432.546 1.879 50 0 IDAAMO COc1ccc(S(=O)(=O)N(C)c2ccnc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000020532889 525008800 /nfs/dbraw/zinc/00/88/00/525008800.db2.gz IYUNXHNCYQULLV-UHFFFAOYSA-N 1 1 448.545 1.367 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000020819108 525523266 /nfs/dbraw/zinc/52/32/66/525523266.db2.gz IOUYQIQBIXJGEX-UHFFFAOYSA-N 1 1 436.622 1.783 50 0 IDAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(CCc2ccccc2)CC1 ZINC000020816390 525687243 /nfs/dbraw/zinc/68/72/43/525687243.db2.gz RDDULNJCMAOORK-UHFFFAOYSA-N 1 1 449.559 1.153 50 0 IDAAMO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)sc2n1 ZINC000021148491 526146253 /nfs/dbraw/zinc/14/62/53/526146253.db2.gz NDTWVKMOYUXMHI-NVXWUHKLSA-N 1 1 432.594 1.914 50 0 IDAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022798968 526174048 /nfs/dbraw/zinc/17/40/48/526174048.db2.gz FWCNBJGQFLVLRI-CQSZACIVSA-N 1 1 449.621 1.585 50 0 IDAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022798968 526174056 /nfs/dbraw/zinc/17/40/56/526174056.db2.gz FWCNBJGQFLVLRI-CQSZACIVSA-N 1 1 449.621 1.585 50 0 IDAAMO CSc1ncc(CN2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)cn1 ZINC000020536562 526221900 /nfs/dbraw/zinc/22/19/00/526221900.db2.gz BSYOEFYJDIJEAD-FGZHOGPDSA-N 1 1 427.618 1.994 50 0 IDAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n(C)n1 ZINC000020600800 526246426 /nfs/dbraw/zinc/24/64/26/526246426.db2.gz FHZMNAAYXZLYJT-LJQANCHMSA-N 1 1 425.533 1.880 50 0 IDAAMO O=C([C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021940514 526463545 /nfs/dbraw/zinc/46/35/45/526463545.db2.gz FHBYLGIWBGVDQK-FQEVSTJZSA-N 1 1 427.526 1.711 50 0 IDAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)N1CCOCC1 ZINC000022577647 527002681 /nfs/dbraw/zinc/00/26/81/527002681.db2.gz PCKCGMITUNHSJS-UHFFFAOYSA-N 1 1 427.501 1.195 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000012385621 527099386 /nfs/dbraw/zinc/09/93/86/527099386.db2.gz WNUABNVIXVFQLO-JOCHJYFZSA-N 1 1 444.539 1.669 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 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ZINC000019300527 556735143 /nfs/dbraw/zinc/73/51/43/556735143.db2.gz PPHJVRSBEDJZCP-UHFFFAOYSA-N 1 1 425.489 1.403 50 0 IDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCOCC4)nc3)cn2)CC1 ZINC000058087816 556757297 /nfs/dbraw/zinc/75/72/97/556757297.db2.gz FJLLJESMOOUZBH-UHFFFAOYSA-N 1 1 425.537 1.777 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000058344820 556782490 /nfs/dbraw/zinc/78/24/90/556782490.db2.gz RNQXEWSQEMWESM-FQEVSTJZSA-N 1 1 444.580 1.763 50 0 IDAAMO CN1CCN(S(=O)(=O)CC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000058420959 556787373 /nfs/dbraw/zinc/78/73/73/556787373.db2.gz RHLNOSPPWWLTLG-SFHVURJKSA-N 1 1 428.986 1.170 50 0 IDAAMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000062581387 556837885 /nfs/dbraw/zinc/83/78/85/556837885.db2.gz JHEOOLOQHHHNLQ-UHFFFAOYSA-N 1 1 434.543 1.910 50 0 IDAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)CC2)cc1 ZINC000019643913 556838841 /nfs/dbraw/zinc/83/88/41/556838841.db2.gz 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CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000020051969 556975058 /nfs/dbraw/zinc/97/50/58/556975058.db2.gz FWGWKABIBCYMJL-UHFFFAOYSA-N 1 1 429.970 1.913 50 0 IDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)C)CC2)c1 ZINC000097141117 556992563 /nfs/dbraw/zinc/99/25/63/556992563.db2.gz AFFWEWAEZWPDKM-LJQANCHMSA-N 1 1 438.536 1.794 50 0 IDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(OC)c(O)c2)CC3)o1 ZINC000020210936 556998602 /nfs/dbraw/zinc/99/86/02/556998602.db2.gz HOYUSIWORGNYHQ-UHFFFAOYSA-N 1 1 441.488 1.720 50 0 IDAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OC)c(O)c2)CC3)o1 ZINC000020210936 556998604 /nfs/dbraw/zinc/99/86/04/556998604.db2.gz HOYUSIWORGNYHQ-UHFFFAOYSA-N 1 1 441.488 1.720 50 0 IDAAMO CCOc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(CCC[NH+]4CCOCC4)C[C@@]34C=C[C@@H]2O4)cc1 ZINC000097985462 556999972 /nfs/dbraw/zinc/99/99/72/556999972.db2.gz KMYDBAJCTLKJIT-XARGGIHNSA-N 1 1 441.528 1.528 50 0 IDAAMO Cc1ccn(CC(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000020234353 557001883 /nfs/dbraw/zinc/00/18/83/557001883.db2.gz AMZLXNVDCMJTEJ-FQEVSTJZSA-N 1 1 425.533 1.729 50 0 IDAAMO Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C ZINC000020326769 557007908 /nfs/dbraw/zinc/00/79/08/557007908.db2.gz QVWZXDOMZLJSAY-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000046140754 557041862 /nfs/dbraw/zinc/04/18/62/557041862.db2.gz UTURCOOYJPJQTK-UHFFFAOYSA-N 1 1 435.521 1.712 50 0 IDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000046140757 557042238 /nfs/dbraw/zinc/04/22/38/557042238.db2.gz XXHMPFGIRASXME-UHFFFAOYSA-N 1 1 431.558 1.881 50 0 IDAAMO CCC(=O)N(C)CCc1noc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)n1 ZINC000033273587 557051811 /nfs/dbraw/zinc/05/18/11/557051811.db2.gz YRLWBGSGFKXOHQ-UHFFFAOYSA-N 1 1 429.521 1.600 50 0 IDAAMO COc1ccc(C(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1OC ZINC000082230702 557061845 /nfs/dbraw/zinc/06/18/45/557061845.db2.gz JDQFSDASOUMZKA-UHFFFAOYSA-N 1 1 426.521 1.208 50 0 IDAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000082230726 557061895 /nfs/dbraw/zinc/06/18/95/557061895.db2.gz SVODHDMAPTVCGH-UHFFFAOYSA-N 1 1 430.940 1.853 50 0 IDAAMO COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1OC ZINC000048324119 557064910 /nfs/dbraw/zinc/06/49/10/557064910.db2.gz ZJLYNXWNFAVPQC-GUYCJALGSA-N 1 1 441.912 1.994 50 0 IDAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)ccc1OC ZINC000023128838 557065891 /nfs/dbraw/zinc/06/58/91/557065891.db2.gz VBBFJSDCANRPDZ-MRXNPFEDSA-N 1 1 431.537 1.957 50 0 IDAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c(OC)c1 ZINC000023128948 557065941 /nfs/dbraw/zinc/06/59/41/557065941.db2.gz QYYHFWXLWCFBES-OAHLLOKOSA-N 1 1 445.520 1.015 50 0 IDAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)c(OC)c1 ZINC000023128948 557065943 /nfs/dbraw/zinc/06/59/43/557065943.db2.gz QYYHFWXLWCFBES-OAHLLOKOSA-N 1 1 445.520 1.015 50 0 IDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[N@@H+](Cc3ccccc3)CC1)C2=O ZINC000023355293 557087009 /nfs/dbraw/zinc/08/70/09/557087009.db2.gz PZEFQUZSRFBTDD-UHFFFAOYSA-N 1 1 427.549 1.726 50 0 IDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4CCC[C@@H](C)C4)ncn3n2)cc1 ZINC000033331638 557115568 /nfs/dbraw/zinc/11/55/68/557115568.db2.gz YVMAPVWAMHMJTN-QGZVFWFLSA-N 1 1 438.532 1.805 50 0 IDAAMO Cc1nc2c(c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c(=O)n(C)c(=O)n2C ZINC000006772850 557129386 /nfs/dbraw/zinc/12/93/86/557129386.db2.gz MXHDHRSWWGXFKP-KRWDZBQOSA-N 1 1 429.565 1.276 50 0 IDAAMO COC(=O)[C@@H](C[NH+]1CCN(c2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927240 557180251 /nfs/dbraw/zinc/18/02/51/557180251.db2.gz IRRDDUWDHNSBTL-APWZRJJASA-N 1 1 426.439 1.781 50 0 IDAAMO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000025285948 557202426 /nfs/dbraw/zinc/20/24/26/557202426.db2.gz CAEKYRLNLXLXRY-UHFFFAOYSA-N 1 1 447.557 1.972 50 0 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C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004876180 557400286 /nfs/dbraw/zinc/40/02/86/557400286.db2.gz NQWHUIQXBYUFSI-KDURUIRLSA-N 1 1 426.561 1.992 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000105378479 557496910 /nfs/dbraw/zinc/49/69/10/557496910.db2.gz SQGPABFIJDWYSY-PEBCPHBVSA-N 1 1 449.507 1.559 50 0 biogenic IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000105380503 557497054 /nfs/dbraw/zinc/49/70/54/557497054.db2.gz OKERUZQAHHXNIF-SRPXWDDNSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000105379217 557497057 /nfs/dbraw/zinc/49/70/57/557497057.db2.gz WZMLRSVHAXQUKU-JVKJCLAXSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO Cc1ccccc1S(=O)(=O)N(CCC[NH+]1CCCCC1)CCC(=O)N1CCNCC1 ZINC000045945143 557553673 /nfs/dbraw/zinc/55/36/73/557553673.db2.gz LNDQJBQJWZKSHA-UHFFFAOYSA-N 1 1 436.622 1.684 50 0 IDAAMO C[C@H]1C[C@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)C1 ZINC000045945401 557553950 /nfs/dbraw/zinc/55/39/50/557553950.db2.gz CMLVZGJKMVGNKO-PMACEKPBSA-N 1 1 436.622 1.477 50 0 IDAAMO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)CCn1nnc3ccccc3c1=O)CC2 ZINC000040150329 557703706 /nfs/dbraw/zinc/70/37/06/557703706.db2.gz QCHOOWXTKQPLIB-UHFFFAOYSA-N 1 1 437.500 1.373 50 0 IDAAMO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)CCn1nnc3ccccc3c1=O)CC2 ZINC000040150329 557703709 /nfs/dbraw/zinc/70/37/09/557703709.db2.gz QCHOOWXTKQPLIB-UHFFFAOYSA-N 1 1 437.500 1.373 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(C[C@@H](O)COCc4cccs4)c(=O)c3s2)CC1 ZINC000225660265 557758651 /nfs/dbraw/zinc/75/86/51/557758651.db2.gz UPLKFTSPQWPUCT-CQSZACIVSA-N 1 1 435.575 1.634 50 0 IDAAMO COCCn1cc([C@@H]2[C@@H](C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000239869289 557845285 /nfs/dbraw/zinc/84/52/85/557845285.db2.gz CXZFREUDMVKACZ-SLYNCCJLSA-N 1 1 449.596 1.302 50 0 IDAAMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412833 557845328 /nfs/dbraw/zinc/84/53/28/557845328.db2.gz FOBCPXCGCDBSHZ-LMMKCTJWSA-N 1 1 438.569 1.118 50 0 IDAAMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412833 557845330 /nfs/dbraw/zinc/84/53/30/557845330.db2.gz FOBCPXCGCDBSHZ-LMMKCTJWSA-N 1 1 438.569 1.118 50 0 IDAAMO O=C(CN1C(=O)COc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000002954117 562931205 /nfs/dbraw/zinc/93/12/05/562931205.db2.gz GHKIASCUYOZWRM-UHFFFAOYSA-N 1 1 426.492 1.880 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004077260 562941549 /nfs/dbraw/zinc/94/15/49/562941549.db2.gz GEEQKJAEZUJADN-CABCVRRESA-N 1 1 437.591 1.693 50 0 IDAAMO CCCC[N@@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677523 562975433 /nfs/dbraw/zinc/97/54/33/562975433.db2.gz GTOFIDTYDMCUNQ-UHFFFAOYSA-N 1 1 439.607 1.940 50 0 IDAAMO O=C(C[NH+]1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000009869285 562977695 /nfs/dbraw/zinc/97/76/95/562977695.db2.gz VXMHTEZQMGWSLM-UHFFFAOYSA-N 1 1 436.578 1.732 50 0 IDAAMO CCOC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)cc1 ZINC000015943326 563019939 /nfs/dbraw/zinc/01/99/39/563019939.db2.gz ABPZPJAUXNJCMB-UHFFFAOYSA-N 1 1 437.504 1.624 50 0 IDAAMO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1n[nH]c2ccccc21 ZINC000299756923 568755525 /nfs/dbraw/zinc/75/55/25/568755525.db2.gz DTMKJZHQIZSVNT-SFHVURJKSA-N 1 1 425.533 1.642 50 0 IDAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@@H](c3ccccc3)C4)CC2)CC1 ZINC000263618823 568777809 /nfs/dbraw/zinc/77/78/09/568777809.db2.gz VRVXMXJWEDEVBO-OAQYLSRUSA-N 1 1 437.544 1.781 50 0 IDAAMO Cc1nn(-c2ccc(N3CCCC3)nn2)c(C)c1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000015734390 568816291 /nfs/dbraw/zinc/81/62/91/568816291.db2.gz NZBMLGCSFPKMBS-UHFFFAOYSA-N 1 1 441.580 1.650 50 0 IDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@H+]4CCCC[C@@H]4C)nc(C)n3n2)cc1 ZINC000015772692 568822803 /nfs/dbraw/zinc/82/28/03/568822803.db2.gz ZBKNBTZTHYUNGA-INIZCTEOSA-N 1 1 438.532 1.866 50 0 IDAAMO Cn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCCC[NH+]4CCOCC4)C3)ccc21 ZINC000015784385 568827474 /nfs/dbraw/zinc/82/74/74/568827474.db2.gz ZBCIJOYWSRWIQT-LJQANCHMSA-N 1 1 448.589 1.418 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000015957053 568859977 /nfs/dbraw/zinc/85/99/77/568859977.db2.gz JBPHKLSPHJFFQO-ADFWDLAYSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959888 568860486 /nfs/dbraw/zinc/86/04/86/568860486.db2.gz ZDZLHYCCYICKBX-RABSLMHOSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245325265 568915043 /nfs/dbraw/zinc/91/50/43/568915043.db2.gz DOUIWKYWWJPRLI-JIKAFRPASA-N 1 1 439.899 1.950 50 0 IDAAMO COc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000064817804 568964894 /nfs/dbraw/zinc/96/48/94/568964894.db2.gz AESTVVJOGIVNQL-UHFFFAOYSA-N 1 1 427.505 1.134 50 0 IDAAMO Cc1nc2c(c(C)c1CCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c(=O)n(C)c(=O)n2C ZINC000006772851 568983226 /nfs/dbraw/zinc/98/32/26/568983226.db2.gz MXHDHRSWWGXFKP-QGZVFWFLSA-N 1 1 429.565 1.276 50 0 IDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894320 569103369 /nfs/dbraw/zinc/10/33/69/569103369.db2.gz OQXOPCSVFMZODY-RTBURBONSA-N 1 1 430.615 1.046 50 0 IDAAMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036576375 569118494 /nfs/dbraw/zinc/11/84/94/569118494.db2.gz GHPGYLQPBJKRLB-IVAOSVALSA-N 1 1 440.588 1.955 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)CC1 ZINC000065254363 569122594 /nfs/dbraw/zinc/12/25/94/569122594.db2.gz ZFXADOMMMUBJRO-KRWDZBQOSA-N 1 1 446.577 1.466 50 0 IDAAMO CC(=O)Nc1cccc2c1ccn2CC(=O)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730396 569125934 /nfs/dbraw/zinc/12/59/34/569125934.db2.gz HYEWPZQQASBYDX-MOPGFXCFSA-N 1 1 447.539 1.997 50 0 biogenic IDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273819 569128270 /nfs/dbraw/zinc/12/82/70/569128270.db2.gz XTBFSARIMNMRCC-SFHVURJKSA-N 1 1 445.633 1.861 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314208 569135511 /nfs/dbraw/zinc/13/55/11/569135511.db2.gz SGYBYSZTVQINOU-OAQYLSRUSA-N 1 1 439.560 1.347 50 0 IDAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)nn1 ZINC000070998749 569149213 /nfs/dbraw/zinc/14/92/13/569149213.db2.gz JEYQZVNTWHZMEO-UHFFFAOYSA-N 1 1 440.529 1.483 50 0 IDAAMO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2F)cc1 ZINC000013372061 569315222 /nfs/dbraw/zinc/31/52/22/569315222.db2.gz JVYDCQIYCJZINB-PMACEKPBSA-N 1 1 441.546 1.996 50 0 IDAAMO COC(=O)[C@@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000079071278 569324595 /nfs/dbraw/zinc/32/45/95/569324595.db2.gz OBQJHJUYFFUBPO-HSZRJFAPSA-N 1 1 434.500 1.529 50 0 IDAAMO O=C(Cn1ncc2ccsc2c1=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020355432 569361389 /nfs/dbraw/zinc/36/13/89/569361389.db2.gz YHNIJBQDDCRVCN-UHFFFAOYSA-N 1 1 425.558 1.782 50 0 IDAAMO CCc1nn(CC(=O)NCCC[NH+]2CCN(CC)CC2)c(=O)c2cc3sccc3n21 ZINC000020384071 569362888 /nfs/dbraw/zinc/36/28/88/569362888.db2.gz PADAAOBWXGJCRH-UHFFFAOYSA-N 1 1 430.578 1.417 50 0 IDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406736 569364697 /nfs/dbraw/zinc/36/46/97/569364697.db2.gz TWYISXCDROWVAC-QUCCMNQESA-N 1 1 436.984 1.259 50 0 IDAAMO CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000095444227 569366945 /nfs/dbraw/zinc/36/69/45/569366945.db2.gz WZBCCGNLXMLUGL-IBGZPJMESA-N 1 1 440.592 1.993 50 0 IDAAMO COc1ccc(N2C[C@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925357 569427692 /nfs/dbraw/zinc/42/76/92/569427692.db2.gz XXOPSEVGJCYSMY-LJQANCHMSA-N 1 1 437.544 1.922 50 0 IDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057414533 569433965 /nfs/dbraw/zinc/43/39/65/569433965.db2.gz XRKYJLQRRNQJOI-IBGZPJMESA-N 1 1 446.504 1.072 50 0 IDAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000504366800 569445420 /nfs/dbraw/zinc/44/54/20/569445420.db2.gz DDMXRBMHNURWSL-BZSNNMDCSA-N 1 1 442.516 1.607 50 0 IDAAMO O=C(C[NH+]1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1)Nc1ccc(F)cc1 ZINC000038581057 569464131 /nfs/dbraw/zinc/46/41/31/569464131.db2.gz FPYZUHGDVUCFTG-UHFFFAOYSA-N 1 1 426.496 1.615 50 0 IDAAMO Cn1nnc(-c2ccc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)cc2)n1 ZINC000670471868 569464840 /nfs/dbraw/zinc/46/48/40/569464840.db2.gz VXISKJRKQXTGBN-KWLQHXCVSA-N 1 1 429.528 1.175 50 0 IDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286194 569466873 /nfs/dbraw/zinc/46/68/73/569466873.db2.gz OYNXGWXGLDUKJN-QGZVFWFLSA-N 1 1 437.338 1.868 50 0 IDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285907 569466932 /nfs/dbraw/zinc/46/69/32/569466932.db2.gz BUSTUKBUQGYUCX-HXUWFJFHSA-N 1 1 432.521 1.512 50 0 IDAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285907 569466933 /nfs/dbraw/zinc/46/69/33/569466933.db2.gz BUSTUKBUQGYUCX-HXUWFJFHSA-N 1 1 432.521 1.512 50 0 IDAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285907 569466934 /nfs/dbraw/zinc/46/69/34/569466934.db2.gz BUSTUKBUQGYUCX-HXUWFJFHSA-N 1 1 432.521 1.512 50 0 IDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286927 569467047 /nfs/dbraw/zinc/46/70/47/569467047.db2.gz ZDSZQHCJBIEEMZ-GOSISDBHSA-N 1 1 432.546 1.777 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccccc4)c(=O)c3s2)CC1 ZINC000067319321 569468525 /nfs/dbraw/zinc/46/85/25/569468525.db2.gz WCZNVLBWDQMQHV-OAHLLOKOSA-N 1 1 426.546 1.872 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 ZINC000040087351 569486739 /nfs/dbraw/zinc/48/67/39/569486739.db2.gz BARKDVHMEYZLPF-FQEVSTJZSA-N 1 1 438.528 1.640 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 ZINC000040087351 569486740 /nfs/dbraw/zinc/48/67/40/569486740.db2.gz BARKDVHMEYZLPF-FQEVSTJZSA-N 1 1 438.528 1.640 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 ZINC000040087351 569486741 /nfs/dbraw/zinc/48/67/41/569486741.db2.gz BARKDVHMEYZLPF-FQEVSTJZSA-N 1 1 438.528 1.640 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000040089505 569487126 /nfs/dbraw/zinc/48/71/26/569487126.db2.gz KIMQMFXOJNWJAN-UHFFFAOYSA-N 1 1 434.562 1.516 50 0 IDAAMO O=C(CC[N@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040149661 569492622 /nfs/dbraw/zinc/49/26/22/569492622.db2.gz OXZNYKQGPBSJNC-GOSISDBHSA-N 1 1 438.532 1.993 50 0 IDAAMO CN(C)S(=O)(=O)c1cccc(NC(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)c1 ZINC000069538532 569506906 /nfs/dbraw/zinc/50/69/06/569506906.db2.gz PDDPEFWBNPWGOH-UHFFFAOYSA-N 1 1 446.577 1.796 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H]3CCC[N@H+]3CC)c2c1 ZINC000009223480 569512939 /nfs/dbraw/zinc/51/29/39/569512939.db2.gz VXUWWNJKKZZJCN-HNNXBMFYSA-N 1 1 434.562 1.773 50 0 IDAAMO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000009492262 569540603 /nfs/dbraw/zinc/54/06/03/569540603.db2.gz FMKROSGNZCFEAS-UHFFFAOYSA-N 1 1 438.528 1.804 50 0 IDAAMO CCOc1ccc(NCCN2[NH+]=C(C)[C@H](C)n3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000010108874 569577938 /nfs/dbraw/zinc/57/79/38/569577938.db2.gz KFEAQVZGHXGYON-AWEZNQCLSA-N 1 1 425.493 1.701 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)n(CCN2CCCCC2)c(=O)n3C)n1CC[NH+]1CCCCC1 ZINC000010271972 569580106 /nfs/dbraw/zinc/58/01/06/569580106.db2.gz ILBIRDFDNFMKAS-UHFFFAOYSA-N 1 1 441.580 1.430 50 0 IDAAMO C[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249785 569587965 /nfs/dbraw/zinc/58/79/65/569587965.db2.gz IUHIYEAYFJBRMB-LJQANCHMSA-N 1 1 430.549 1.693 50 0 IDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000022770695 518728156 /nfs/dbraw/zinc/72/81/56/518728156.db2.gz YBHCSEHSBGZULZ-UHFFFAOYSA-N 1 1 431.581 1.384 50 0 IDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000022770695 518728166 /nfs/dbraw/zinc/72/81/66/518728166.db2.gz YBHCSEHSBGZULZ-UHFFFAOYSA-N 1 1 431.581 1.384 50 0 IDAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)cc1 ZINC000035598181 519731029 /nfs/dbraw/zinc/73/10/29/519731029.db2.gz RNGYBHBOJAOJMF-UHFFFAOYSA-N 1 1 441.517 1.440 50 0 IDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534318 521633231 /nfs/dbraw/zinc/63/32/31/521633231.db2.gz QLLXAXTTZZSBBU-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534318 521633234 /nfs/dbraw/zinc/63/32/34/521633234.db2.gz QLLXAXTTZZSBBU-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[NH+]1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768380 521663322 /nfs/dbraw/zinc/66/33/22/521663322.db2.gz JMNAYTFGZWNVNO-MRXNPFEDSA-N 1 1 442.520 1.922 50 0 IDAAMO CC[NH+]1CCN(C2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)CC2)CC1 ZINC000020773773 521671742 /nfs/dbraw/zinc/67/17/42/521671742.db2.gz XPZSXAKGGBSYNI-JOCHJYFZSA-N 1 1 445.583 1.145 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)CCCn2nc(C)n3c4ccoc4cc3c2=O)CC1 ZINC000020866559 521680453 /nfs/dbraw/zinc/68/04/53/521680453.db2.gz JKKUOGJSYOBYMQ-UHFFFAOYSA-N 1 1 428.537 1.475 50 0 IDAAMO CCc1nn(CCCC(=O)NCCC[NH+]2CCN(C)CC2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862479 522705040 /nfs/dbraw/zinc/70/50/40/522705040.db2.gz GXLKHWZKDOYHIQ-UHFFFAOYSA-N 1 1 442.564 1.647 50 0 IDAAMO COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)cc1OC)CC2)C(C)C ZINC000012099953 522771494 /nfs/dbraw/zinc/77/14/94/522771494.db2.gz WPYBJPOLGSNCDQ-OAQYLSRUSA-N 1 1 431.537 1.813 50 0 IDAAMO CCc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)n(C)n1 ZINC000020536778 523758688 /nfs/dbraw/zinc/75/86/88/523758688.db2.gz BMILQQQXYWTHAY-FYYLOGMGSA-N 1 1 425.577 1.418 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000020727456 523897801 /nfs/dbraw/zinc/89/78/01/523897801.db2.gz BSOIUXAXOXXWQU-UHFFFAOYSA-N 1 1 443.013 1.882 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000089745391 523986784 /nfs/dbraw/zinc/98/67/84/523986784.db2.gz SMMMDIMMLNYZRL-DLBZAZTESA-N 1 1 427.892 1.461 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000089745391 523986788 /nfs/dbraw/zinc/98/67/88/523986788.db2.gz SMMMDIMMLNYZRL-DLBZAZTESA-N 1 1 427.892 1.461 50 0 IDAAMO COc1ccc(C[NH2+]CCn2nc(C)cc2C)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020774841 524071437 /nfs/dbraw/zinc/07/14/37/524071437.db2.gz ACELVJZVUAHBAC-NRFANRHFSA-N 1 1 431.581 1.285 50 0 IDAAMO Cc1ccc(CN2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)CC2=O)cc1C ZINC000012592812 524456018 /nfs/dbraw/zinc/45/60/18/524456018.db2.gz NNBFSSHKYISXBV-OAQYLSRUSA-N 1 1 426.561 1.607 50 0 IDAAMO COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000020609987 525610930 /nfs/dbraw/zinc/61/09/30/525610930.db2.gz ZOTBCWGYVUOQSL-WIYYLYMNSA-N 1 1 449.573 1.891 50 0 biogenic IDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968280 525932163 /nfs/dbraw/zinc/93/21/63/525932163.db2.gz LPHFXVHCLFLXOK-FXKZBUDASA-N 1 1 439.899 1.604 50 0 biogenic IDAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363885 526213309 /nfs/dbraw/zinc/21/33/09/526213309.db2.gz FJRWKXNZDUURGR-SIYXTPNISA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363870 526221642 /nfs/dbraw/zinc/22/16/42/526221642.db2.gz OJLSSLQLXZDJDV-LCKXGBKKSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO O=C(CCCNC1=NS(=O)(=O)c2ccccc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000012877004 526443538 /nfs/dbraw/zinc/44/35/38/526443538.db2.gz ZGGUPUIXJQPOMV-UHFFFAOYSA-N 1 1 440.569 1.892 50 0 IDAAMO O=C([C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1)N1CCC(CCn2cccn2)CC1 ZINC000020781337 526532100 /nfs/dbraw/zinc/53/21/00/526532100.db2.gz SCWYGSCJGSHQLY-NRFANRHFSA-N 1 1 431.581 1.473 50 0 IDAAMO O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000020599765 526532606 /nfs/dbraw/zinc/53/26/06/526532606.db2.gz CUVJRNYNJFGHPV-NRFANRHFSA-N 1 1 441.576 1.367 50 0 IDAAMO O=C([C@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000020599765 526532612 /nfs/dbraw/zinc/53/26/12/526532612.db2.gz CUVJRNYNJFGHPV-NRFANRHFSA-N 1 1 441.576 1.367 50 0 IDAAMO Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)c2)no1 ZINC000035557919 526622672 /nfs/dbraw/zinc/62/26/72/526622672.db2.gz CMFCKPHLRSZIIN-UHFFFAOYSA-N 1 1 439.563 1.281 50 0 IDAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccnc3)[C@H]2C1)N1CCCC1 ZINC000035869695 526785389 /nfs/dbraw/zinc/78/53/89/526785389.db2.gz LESCKVPLAIWXBW-JTHBVZDNSA-N 1 1 433.556 1.683 50 0 IDAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@H](C(=O)NCc3cccnc3)[C@H]2C1)N1CCCC1 ZINC000035869695 526785390 /nfs/dbraw/zinc/78/53/90/526785390.db2.gz LESCKVPLAIWXBW-JTHBVZDNSA-N 1 1 433.556 1.683 50 0 IDAAMO Cn1c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2c2ccsc2c1=O ZINC000035528421 527127414 /nfs/dbraw/zinc/12/74/14/527127414.db2.gz RAKIUVXGYQOYGB-UHFFFAOYSA-N 1 1 436.541 1.920 50 0 IDAAMO O=C(C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CC[NH+](CCO)CC1 ZINC000023129041 527146874 /nfs/dbraw/zinc/14/68/74/527146874.db2.gz LAIZDRJWEAERRK-VWLOTQADSA-N 1 1 441.572 1.790 50 0 IDAAMO Cc1nn(CC(=O)N2CC[NH+](C)CC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267286 527701743 /nfs/dbraw/zinc/70/17/43/527701743.db2.gz UEYAMRAXRQOKCA-UHFFFAOYSA-N 1 1 431.500 1.455 50 0 IDAAMO Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890405 555744389 /nfs/dbraw/zinc/74/43/89/555744389.db2.gz JWTOCEVOPNUUCZ-INIZCTEOSA-N 1 1 425.533 1.974 50 0 IDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1 ZINC000034677020 555795048 /nfs/dbraw/zinc/79/50/48/555795048.db2.gz JCJMRVVRZPMFPZ-SFHVURJKSA-N 1 1 446.548 1.627 50 0 IDAAMO Cc1ccsc1CN1CCc2nc(N3CC[NH+](C)CC3)nc(N3CCOCC3)c2C1 ZINC000034755441 555900083 /nfs/dbraw/zinc/90/00/83/555900083.db2.gz GEKDMXHQOXWYBO-UHFFFAOYSA-N 1 1 428.606 1.993 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000004721105 556007914 /nfs/dbraw/zinc/00/79/14/556007914.db2.gz OMSNNICLCCDJLB-PKOBYXMFSA-N 1 1 427.501 1.830 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 ZINC000004721105 556007915 /nfs/dbraw/zinc/00/79/15/556007915.db2.gz OMSNNICLCCDJLB-PKOBYXMFSA-N 1 1 427.501 1.830 50 0 IDAAMO CC(=O)c1ccc(NC(=O)C[C@H]2N=C(N3CC[NH+](Cc4ccccc4)CC3)NC2=O)cc1 ZINC000013690223 556279336 /nfs/dbraw/zinc/27/93/36/556279336.db2.gz KDJWIQBSPPZZFT-OAQYLSRUSA-N 1 1 433.512 1.890 50 0 IDAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000032759763 556320135 /nfs/dbraw/zinc/32/01/35/556320135.db2.gz ZIELZIUISFWXSI-LJQANCHMSA-N 1 1 434.537 1.834 50 0 IDAAMO CCOC(=O)C[C@H]1COCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000011664013 556344728 /nfs/dbraw/zinc/34/47/28/556344728.db2.gz VOGLVQBYCUJUEW-INIZCTEOSA-N 1 1 449.577 1.328 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011788383 556354614 /nfs/dbraw/zinc/35/46/14/556354614.db2.gz VHPBDAGICQWNBP-MRXNPFEDSA-N 1 1 443.548 1.957 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011788383 556354618 /nfs/dbraw/zinc/35/46/18/556354618.db2.gz VHPBDAGICQWNBP-MRXNPFEDSA-N 1 1 443.548 1.957 50 0 IDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccc(OCCO)cc1)CC2)c1cccc(F)c1 ZINC000011869616 556368595 /nfs/dbraw/zinc/36/85/95/556368595.db2.gz BPMOSBSIOCFVQN-UHFFFAOYSA-N 1 1 439.491 1.777 50 0 IDAAMO COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012076096 556397542 /nfs/dbraw/zinc/39/75/42/556397542.db2.gz DIDLKQRNHKBGPR-GOSISDBHSA-N 1 1 442.482 1.187 50 0 IDAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCCN2CCOCC2)C1 ZINC000014750403 556443329 /nfs/dbraw/zinc/44/33/29/556443329.db2.gz AZOCOIICLCZISW-RBUKOAKNSA-N 1 1 434.556 1.807 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC ZINC000014882992 556454471 /nfs/dbraw/zinc/45/44/71/556454471.db2.gz GZSMECAPKRMSEO-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000072305214 556550256 /nfs/dbraw/zinc/55/02/56/556550256.db2.gz QSRGEJLNSSSVCS-GOSISDBHSA-N 1 1 440.585 1.465 50 0 IDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015868890 556559649 /nfs/dbraw/zinc/55/96/49/556559649.db2.gz MVZRIPRKQTWXMP-UHFFFAOYSA-N 1 1 433.596 1.111 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCC2)c1 ZINC000015868955 556559739 /nfs/dbraw/zinc/55/97/39/556559739.db2.gz RCKHSDQZSNCROD-UHFFFAOYSA-N 1 1 443.635 1.862 50 0 IDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016010078 556573883 /nfs/dbraw/zinc/57/38/83/556573883.db2.gz PSLFARPWFHKJMQ-DYXJYMTDSA-N 1 1 444.919 1.577 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040284027 556634768 /nfs/dbraw/zinc/63/47/68/556634768.db2.gz VYYZAMYHUHPMEK-INIZCTEOSA-N 1 1 438.550 1.164 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000248011450 556655593 /nfs/dbraw/zinc/65/55/93/556655593.db2.gz JBPXBMHPVXIKNU-TZIWHRDSSA-N 1 1 435.590 1.861 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966788 556689156 /nfs/dbraw/zinc/68/91/56/556689156.db2.gz VRCDFNBEJPGTCE-IBGZPJMESA-N 1 1 432.565 1.452 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966788 556689160 /nfs/dbraw/zinc/68/91/60/556689160.db2.gz VRCDFNBEJPGTCE-IBGZPJMESA-N 1 1 432.565 1.452 50 0 IDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2C)c1 ZINC000046140910 556691820 /nfs/dbraw/zinc/69/18/20/556691820.db2.gz CNGNIDSEWCGHMI-UHFFFAOYSA-N 1 1 431.558 1.881 50 0 IDAAMO CC(C)OCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046141007 556692180 /nfs/dbraw/zinc/69/21/80/556692180.db2.gz DAWMVNNFFCIKJC-UHFFFAOYSA-N 1 1 431.986 1.832 50 0 IDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)Cc1cccs1 ZINC000046141058 556692478 /nfs/dbraw/zinc/69/24/78/556692478.db2.gz QCVRTCSFRVUDQB-GOSISDBHSA-N 1 1 442.651 1.229 50 0 IDAAMO O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000033028363 556708917 /nfs/dbraw/zinc/70/89/17/556708917.db2.gz UNJLJSKVYUROJF-GOSISDBHSA-N 1 1 446.573 1.171 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000019224184 556716560 /nfs/dbraw/zinc/71/65/60/556716560.db2.gz QQOTZYYOGIUPQS-HSZRJFAPSA-N 1 1 435.572 1.549 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000019224184 556716561 /nfs/dbraw/zinc/71/65/61/556716561.db2.gz QQOTZYYOGIUPQS-HSZRJFAPSA-N 1 1 435.572 1.549 50 0 IDAAMO COc1ccc(C[NH2+]CCSc2nccn2C)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000019226549 556716947 /nfs/dbraw/zinc/71/69/47/556716947.db2.gz PCBIYRVCSOVIAK-LJQANCHMSA-N 1 1 449.621 1.298 50 0 IDAAMO O=C(CC[C@H]1CCCN(C(=O)CN2CCOC2=O)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019228873 556717867 /nfs/dbraw/zinc/71/78/67/556717867.db2.gz BYBNXZSYTMYIBN-OAQYLSRUSA-N 1 1 442.560 1.802 50 0 IDAAMO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000033905410 556722944 /nfs/dbraw/zinc/72/29/44/556722944.db2.gz WYHKLPVCPMYCBN-UAKAABGRSA-N 1 1 431.448 1.904 50 0 biogenic IDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000019299926 556735059 /nfs/dbraw/zinc/73/50/59/556735059.db2.gz UXPZKQNFJVGRBL-INIZCTEOSA-N 1 1 441.532 1.727 50 0 IDAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000019372316 556748669 /nfs/dbraw/zinc/74/86/69/556748669.db2.gz ZFAJANQWHDXMOS-UHFFFAOYSA-N 1 1 439.310 1.265 50 0 IDAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065365696 556836094 /nfs/dbraw/zinc/83/60/94/556836094.db2.gz CACNCYQYMDWTRF-UHFFFAOYSA-N 1 1 439.488 1.411 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)cc1 ZINC000067604745 556843954 /nfs/dbraw/zinc/84/39/54/556843954.db2.gz FMLWDICGKPBWBI-UHFFFAOYSA-N 1 1 428.518 1.880 50 0 IDAAMO Cn1c(=O)c(N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259536 556894492 /nfs/dbraw/zinc/89/44/92/556894492.db2.gz VOPMLTAOKYCLEY-HXUWFJFHSA-N 1 1 446.555 1.889 50 0 IDAAMO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072115408 556897903 /nfs/dbraw/zinc/89/79/03/556897903.db2.gz XRFZHCNCQPGTPT-UHFFFAOYSA-N 1 1 426.477 1.439 50 0 IDAAMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000019800277 556917419 /nfs/dbraw/zinc/91/74/19/556917419.db2.gz VYKLIEIBTDEGCC-UHFFFAOYSA-N 1 1 447.557 1.814 50 0 IDAAMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1OC ZINC000019800504 556917494 /nfs/dbraw/zinc/91/74/94/556917494.db2.gz MQOVOVMFNUZMQC-UHFFFAOYSA-N 1 1 447.557 1.814 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861128 556933704 /nfs/dbraw/zinc/93/37/04/556933704.db2.gz LFLVOAOHSQKRDD-GOSISDBHSA-N 1 1 443.997 1.720 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2)cc1C ZINC000020407006 557013689 /nfs/dbraw/zinc/01/36/89/557013689.db2.gz CAWWEIFPNHOZKQ-UHFFFAOYSA-N 1 1 431.558 1.969 50 0 IDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000022932429 557050642 /nfs/dbraw/zinc/05/06/42/557050642.db2.gz MNNIHBABQIEQMZ-UHFFFAOYSA-N 1 1 429.565 1.674 50 0 IDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000022932429 557050644 /nfs/dbraw/zinc/05/06/44/557050644.db2.gz MNNIHBABQIEQMZ-UHFFFAOYSA-N 1 1 429.565 1.674 50 0 IDAAMO Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)c2)no1 ZINC000033279223 557059911 /nfs/dbraw/zinc/05/99/11/557059911.db2.gz UPKPVDSFNONOHO-CQSZACIVSA-N 1 1 439.563 1.281 50 0 IDAAMO COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1OC ZINC000048324121 557065013 /nfs/dbraw/zinc/06/50/13/557065013.db2.gz ZJLYNXWNFAVPQC-SUMWQHHRSA-N 1 1 441.912 1.994 50 0 IDAAMO O=C(CC[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023379645 557088729 /nfs/dbraw/zinc/08/87/29/557088729.db2.gz OIJZZXUHCIHVMO-FQEVSTJZSA-N 1 1 425.537 1.036 50 0 IDAAMO O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000023674845 557105643 /nfs/dbraw/zinc/10/56/43/557105643.db2.gz BPNRVOONFJCOQO-OAQYLSRUSA-N 1 1 447.601 1.828 50 0 IDAAMO O=C(CN1CCN(C(=O)c2ccco2)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023731283 557111680 /nfs/dbraw/zinc/11/16/80/557111680.db2.gz LCUOGOZQFJTJNF-UHFFFAOYSA-N 1 1 426.517 1.186 50 0 IDAAMO CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023958660 557128001 /nfs/dbraw/zinc/12/80/01/557128001.db2.gz UWTFQZGYDHQSRD-UHFFFAOYSA-N 1 1 431.558 1.541 50 0 IDAAMO CCc1c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnn1-c1ccc(OC)nn1 ZINC000024549769 557151206 /nfs/dbraw/zinc/15/12/06/557151206.db2.gz JOTBVUYTMMMDLO-UHFFFAOYSA-N 1 1 428.537 1.998 50 0 IDAAMO COC(=O)[C@@H](C[NH+]1CCN(c2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927231 557180186 /nfs/dbraw/zinc/18/01/86/557180186.db2.gz IRRDDUWDHNSBTL-VQIMIIECSA-N 1 1 426.439 1.781 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1 ZINC000100209884 557247875 /nfs/dbraw/zinc/24/78/75/557247875.db2.gz KMUSRNPLYLYYMW-IBGZPJMESA-N 1 1 437.500 1.724 50 0 IDAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)c1 ZINC000101356648 557275291 /nfs/dbraw/zinc/27/52/91/557275291.db2.gz WJDHAQIDKCGGAP-FQEVSTJZSA-N 1 1 449.573 1.711 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223221304 557447458 /nfs/dbraw/zinc/44/74/58/557447458.db2.gz RUALSOWGHQKWFF-IAGOWNOFSA-N 1 1 432.521 1.157 50 0 IDAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080509 557528035 /nfs/dbraw/zinc/52/80/35/557528035.db2.gz QNUHZILWONFXCK-NHCUHLMSSA-N 1 1 442.512 1.523 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000107541958 557536201 /nfs/dbraw/zinc/53/62/01/557536201.db2.gz SMMMDIMMLNYZRL-IRXDYDNUSA-N 1 1 427.892 1.461 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000107541958 557536204 /nfs/dbraw/zinc/53/62/04/557536204.db2.gz SMMMDIMMLNYZRL-IRXDYDNUSA-N 1 1 427.892 1.461 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945104 557553423 /nfs/dbraw/zinc/55/34/23/557553423.db2.gz GVENUZIBHYCJEO-UHFFFAOYSA-N 1 1 436.622 1.684 50 0 IDAAMO O=C(CCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 ZINC000045945138 557553471 /nfs/dbraw/zinc/55/34/71/557553471.db2.gz RKHAXFSTGJMSHE-UHFFFAOYSA-N 1 1 440.585 1.514 50 0 IDAAMO C[C@H]1CCCCN1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945264 557553883 /nfs/dbraw/zinc/55/38/83/557553883.db2.gz ILQVCMFABPTSFD-KRWDZBQOSA-N 1 1 428.624 1.435 50 0 IDAAMO CC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N4CCCCC4)ccc3SCC2=O)CC1 ZINC000045960701 557554595 /nfs/dbraw/zinc/55/45/95/557554595.db2.gz XVOZJNYAYNECGY-UHFFFAOYSA-N 1 1 430.574 1.916 50 0 IDAAMO CC(C)c1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CC(=O)N2CCNCC2)cc1 ZINC000045974729 557556748 /nfs/dbraw/zinc/55/67/48/557556748.db2.gz SVBYNGKHKCHFTL-UHFFFAOYSA-N 1 1 436.622 1.718 50 0 IDAAMO COCCn1cc([C@@H]2[C@@H](C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000225457045 557724976 /nfs/dbraw/zinc/72/49/76/557724976.db2.gz CXZFREUDMVKACZ-HFSMHLIXSA-N 1 1 449.596 1.302 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(C[C@H](O)COc4cccc(C)c4)c(=O)c3s2)CC1 ZINC000225660304 557758628 /nfs/dbraw/zinc/75/86/28/557758628.db2.gz RVPBORNSBRAGJG-INIZCTEOSA-N 1 1 429.546 1.743 50 0 IDAAMO COCCn1cc([C@@H]2[C@H](C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000239869290 557845322 /nfs/dbraw/zinc/84/53/22/557845322.db2.gz CXZFREUDMVKACZ-YFVAEKQCSA-N 1 1 449.596 1.302 50 0 IDAAMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595802 562953739 /nfs/dbraw/zinc/95/37/39/562953739.db2.gz YPSCATNELRCLEL-OAHLLOKOSA-N 1 1 439.607 1.940 50 0 aggregator IDAAMO CCOC(=O)N1CCN(c2c(=O)c(=O)c2NCCC[N@@H+](CC)Cc2ccccc2)CC1 ZINC000013150463 562985397 /nfs/dbraw/zinc/98/53/97/562985397.db2.gz MYFVWGDYJNFUHQ-UHFFFAOYSA-N 1 1 428.533 1.885 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CCN(Cc1cc(F)ccc1F)CC2 ZINC000299762254 568755947 /nfs/dbraw/zinc/75/59/47/568755947.db2.gz STGNDQGXZYXBIA-UHFFFAOYSA-N 1 1 446.498 1.581 50 0 IDAAMO COC(=O)c1cn(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc2c(=O)[nH]nc1-2 ZINC000263586201 568759302 /nfs/dbraw/zinc/75/93/02/568759302.db2.gz RFUGEPDPXVZEAD-AWEZNQCLSA-N 1 1 426.429 1.429 50 0 biogenic IDAAMO CN1CCc2c3ccccc3n(C[C@H](O)C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2C1=O ZINC000001323338 568780274 /nfs/dbraw/zinc/78/02/74/568780274.db2.gz JVMHZMCCBNIUKG-IPMKNSEASA-N 1 1 446.551 1.911 50 0 biogenic IDAAMO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000084535940 568798510 /nfs/dbraw/zinc/79/85/10/568798510.db2.gz CDHOXNAHQNAYKQ-GOSISDBHSA-N 1 1 426.542 1.754 50 0 IDAAMO Cn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)ccc21 ZINC000015784210 568826756 /nfs/dbraw/zinc/82/67/56/568826756.db2.gz RCHFZKPYLTWZCH-UHFFFAOYSA-N 1 1 448.589 1.418 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000015785267 568829571 /nfs/dbraw/zinc/82/95/71/568829571.db2.gz OLVARUOWKBAVOM-LJQANCHMSA-N 1 1 434.562 1.385 50 0 IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000015957189 568859958 /nfs/dbraw/zinc/85/99/58/568859958.db2.gz DUCJOSYWMDPMOJ-ADFWDLAYSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969316 568861387 /nfs/dbraw/zinc/86/13/87/568861387.db2.gz SEVGYGLCWSWWEZ-WKVINZIJSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026193 568864429 /nfs/dbraw/zinc/86/44/29/568864429.db2.gz NOQMWPSDBROJAC-BKJGLDIHSA-N 1 1 432.480 1.099 50 0 biogenic IDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033015 568867674 /nfs/dbraw/zinc/86/76/74/568867674.db2.gz XJBNWBJVVISKKM-UJAPCULTSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO CCOC(=O)[C@H]1CCCN(CC2=NC(=O)N[C@H](c3cccc(OC)c3)C2C(=O)OC)C1 ZINC000226946166 568885473 /nfs/dbraw/zinc/88/54/73/568885473.db2.gz KSXXJFYABFYKSQ-HNAYVOBHSA-N 1 1 431.489 1.751 50 0 IDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]21 ZINC000227067166 568885595 /nfs/dbraw/zinc/88/55/95/568885595.db2.gz RFKOLPRGCFYIKK-IBSUQTTCSA-N 1 1 440.459 1.640 50 0 IDAAMO COc1cccc(C[C@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000241383450 568912180 /nfs/dbraw/zinc/91/21/80/568912180.db2.gz MVLCTDLGDCHDFZ-NHCUHLMSSA-N 1 1 428.537 1.487 50 0 IDAAMO CSc1ncc(C(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)n1-c1ccccc1 ZINC000089382584 568921373 /nfs/dbraw/zinc/92/13/73/568921373.db2.gz QJGURUUBWLGKBS-UHFFFAOYSA-N 1 1 439.545 1.817 50 0 IDAAMO CCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000035925314 568931658 /nfs/dbraw/zinc/93/16/58/568931658.db2.gz XJFJMRVMZLOEKD-UHFFFAOYSA-N 1 1 438.576 1.931 50 0 IDAAMO COC(=O)Cn1c2ccc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2oc1=O ZINC000064818699 568965289 /nfs/dbraw/zinc/96/52/89/568965289.db2.gz PEPDZVLRLPCXFD-UHFFFAOYSA-N 1 1 437.518 1.407 50 0 IDAAMO O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064888552 568979687 /nfs/dbraw/zinc/97/96/87/568979687.db2.gz GDYZQLUBILGQAX-UHFFFAOYSA-N 1 1 438.503 1.341 50 0 IDAAMO CC[N@@H+](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000064967018 569001513 /nfs/dbraw/zinc/00/15/13/569001513.db2.gz VJTRLNMTGJWPNS-UHFFFAOYSA-N 1 1 425.464 1.322 50 0 IDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000065061443 569096352 /nfs/dbraw/zinc/09/63/52/569096352.db2.gz SPOZXYFGPYMTHB-HNNXBMFYSA-N 1 1 442.582 1.167 50 0 IDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000036390518 569096717 /nfs/dbraw/zinc/09/67/17/569096717.db2.gz ZOBHKIHSBLVDOK-HXUWFJFHSA-N 1 1 428.558 1.873 50 0 IDAAMO C[N@@H+](CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)C1CCCCC1 ZINC000065226816 569117974 /nfs/dbraw/zinc/11/79/74/569117974.db2.gz LBHMYTVCEORQKH-UHFFFAOYSA-N 1 1 430.597 1.910 50 0 IDAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1cnc2c1ncnc2OC ZINC000524732217 569126702 /nfs/dbraw/zinc/12/67/02/569126702.db2.gz NSOXPGCJXMAZHN-ZWKOTPCHSA-N 1 1 430.553 1.965 50 0 biogenic IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311449 569133791 /nfs/dbraw/zinc/13/37/91/569133791.db2.gz RRODKZCVZBXLIH-UHFFFAOYSA-N 1 1 439.560 1.347 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314207 569135479 /nfs/dbraw/zinc/13/54/79/569135479.db2.gz SGYBYSZTVQINOU-NRFANRHFSA-N 1 1 439.560 1.347 50 0 IDAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)nn1 ZINC000070998524 569149118 /nfs/dbraw/zinc/14/91/18/569149118.db2.gz YQPUIFUXFFHVGI-UHFFFAOYSA-N 1 1 430.472 1.029 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2F)cc1 ZINC000013371696 569315083 /nfs/dbraw/zinc/31/50/83/569315083.db2.gz QPSXNQDKXAWIBL-OALUTQOASA-N 1 1 427.519 1.606 50 0 IDAAMO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2cccs2)cc1 ZINC000013372055 569315101 /nfs/dbraw/zinc/31/51/01/569315101.db2.gz VQCCTYOHTTXBLZ-ROUUACIJSA-N 1 1 429.585 1.918 50 0 IDAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000079107563 569325837 /nfs/dbraw/zinc/32/58/37/569325837.db2.gz OBTVIZCURQWYLI-OAHLLOKOSA-N 1 1 437.591 1.502 50 0 IDAAMO COc1ccc2cnn(CC(=O)N3CC[NH+](CCc4ccncc4)CC3)c(=O)c2c1OC ZINC000079490943 569331276 /nfs/dbraw/zinc/33/12/76/569331276.db2.gz XBSVRPPHAAWJEZ-UHFFFAOYSA-N 1 1 437.500 1.196 50 0 IDAAMO CC[NH+]1CCN(CCNC(=O)C[S@](=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1 ZINC000020241525 569358025 /nfs/dbraw/zinc/35/80/25/569358025.db2.gz FJZQRWARZRNFFH-PMERELPUSA-N 1 1 432.590 1.961 50 0 IDAAMO Cc1cc(CN2CCN(CC3(C[NH+]4CCN(Cc5cc(C)no5)CC4)COC3)CC2)on1 ZINC000095401400 569364032 /nfs/dbraw/zinc/36/40/32/569364032.db2.gz WZLSVODCFPHTAW-UHFFFAOYSA-N 1 1 444.580 1.231 50 0 IDAAMO C[C@H]1C[NH+](CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000095459716 569369498 /nfs/dbraw/zinc/36/94/98/569369498.db2.gz LVIHGPVJYXIAIX-HOTGVXAUSA-N 1 1 439.503 1.811 50 0 IDAAMO COC(=O)CC[N@@H+]1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@H](C)C1 ZINC000095460657 569369712 /nfs/dbraw/zinc/36/97/12/569369712.db2.gz JCRCERJCYCAREO-OAHLLOKOSA-N 1 1 446.573 1.823 50 0 IDAAMO COC(=O)CC[N@H+]1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@H](C)C1 ZINC000095460657 569369713 /nfs/dbraw/zinc/36/97/13/569369713.db2.gz JCRCERJCYCAREO-OAHLLOKOSA-N 1 1 446.573 1.823 50 0 IDAAMO C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)CN1CC[NH+](C)CC1 ZINC000095461382 569369893 /nfs/dbraw/zinc/36/98/93/569369893.db2.gz UXHFBKZYIUTTAT-QGZVFWFLSA-N 1 1 441.580 1.503 50 0 IDAAMO COc1ccc(-c2nn(CCCC(=O)NCCC[NH+]3CCOCC3)c(=O)cc2OC)cc1 ZINC000096100933 569381751 /nfs/dbraw/zinc/38/17/51/569381751.db2.gz ZUSYOGODHHBUKQ-UHFFFAOYSA-N 1 1 444.532 1.546 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000015864133 569458860 /nfs/dbraw/zinc/45/88/60/569458860.db2.gz HMRVYEVVWINJNW-SFHVURJKSA-N 1 1 437.382 1.807 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000015864133 569458861 /nfs/dbraw/zinc/45/88/61/569458861.db2.gz HMRVYEVVWINJNW-SFHVURJKSA-N 1 1 437.382 1.807 50 0 IDAAMO CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000015864132 569458869 /nfs/dbraw/zinc/45/88/69/569458869.db2.gz HMRVYEVVWINJNW-GOSISDBHSA-N 1 1 437.382 1.807 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000015864132 569458870 /nfs/dbraw/zinc/45/88/70/569458870.db2.gz HMRVYEVVWINJNW-GOSISDBHSA-N 1 1 437.382 1.807 50 0 IDAAMO CN1C(=O)N(C)C(=O)C(Cc2ccco2)(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000059410029 569461189 /nfs/dbraw/zinc/46/11/89/569461189.db2.gz DBRDHYQXMNPBRH-JKSUJKDBSA-N 1 1 438.484 1.140 50 0 biogenic IDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000229703726 569461404 /nfs/dbraw/zinc/46/14/04/569461404.db2.gz VDTPQSMPHAKDCF-BNFUDPRMSA-N 1 1 429.448 1.988 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@H]4CCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225999 569465237 /nfs/dbraw/zinc/46/52/37/569465237.db2.gz KFRNUMLAORXJIA-KRWDZBQOSA-N 1 1 438.557 1.799 50 0 IDAAMO CCC[NH+]1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C)CC1 ZINC000008661176 569469787 /nfs/dbraw/zinc/46/97/87/569469787.db2.gz GHUNJKFSCFEWTL-UHFFFAOYSA-N 1 1 435.546 1.930 50 0 IDAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149565 569492535 /nfs/dbraw/zinc/49/25/35/569492535.db2.gz SKDWMJANEMIUMJ-CQSZACIVSA-N 1 1 425.445 1.809 50 0 IDAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149565 569492536 /nfs/dbraw/zinc/49/25/36/569492536.db2.gz SKDWMJANEMIUMJ-CQSZACIVSA-N 1 1 425.445 1.809 50 0 IDAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@H](C)O1 ZINC000040154626 569493817 /nfs/dbraw/zinc/49/38/17/569493817.db2.gz ZNJDLEOFQANBAQ-GASCZTMLSA-N 1 1 437.587 1.977 50 0 IDAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@H](C)O1 ZINC000040154626 569493818 /nfs/dbraw/zinc/49/38/18/569493818.db2.gz ZNJDLEOFQANBAQ-GASCZTMLSA-N 1 1 437.587 1.977 50 0 IDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245343428 569504463 /nfs/dbraw/zinc/50/44/63/569504463.db2.gz OQXOPCSVFMZODY-RBUKOAKNSA-N 1 1 430.615 1.046 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H]3CCC[N@H+]3CC)c2c1 ZINC000009223479 569512922 /nfs/dbraw/zinc/51/29/22/569512922.db2.gz VXUWWNJKKZZJCN-OAHLLOKOSA-N 1 1 434.562 1.773 50 0 IDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009593186 569550432 /nfs/dbraw/zinc/55/04/32/569550432.db2.gz HSMWQNLAKNLPRO-HXUWFJFHSA-N 1 1 429.542 1.712 50 0 IDAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)NC[C@H]1CCCO1 ZINC000009660779 569556934 /nfs/dbraw/zinc/55/69/34/569556934.db2.gz ZCAGRXWXBCDKNL-QGZVFWFLSA-N 1 1 434.924 1.522 50 0 IDAAMO O=C(c1cccc(-n2cnnn2)c1)N1CC[NH+](CCn2ccnc2-c2ccccc2)CC1 ZINC000077158601 569585693 /nfs/dbraw/zinc/58/56/93/569585693.db2.gz UQSRUCQSLVLYKR-UHFFFAOYSA-N 1 1 428.500 1.984 50 0 IDAAMO O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1cccs1)N1CC[NH2+]CC1 ZINC000033114856 569587332 /nfs/dbraw/zinc/58/73/32/569587332.db2.gz RGMNNQZAPHYDSN-UHFFFAOYSA-N 1 1 435.637 1.697 50 0 IDAAMO CC(C)(C)Nc1nc(N2CCN(c3ccc4nnnn4n3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000001092782 518775229 /nfs/dbraw/zinc/77/52/29/518775229.db2.gz CBWCLNLMBBPSJJ-UHFFFAOYSA-N 1 1 426.533 1.452 50 0 IDAAMO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035422043 519735943 /nfs/dbraw/zinc/73/59/43/519735943.db2.gz YQQKRLROJYBWLG-IBGZPJMESA-N 1 1 443.592 1.784 50 0 IDAAMO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000035422043 519735944 /nfs/dbraw/zinc/73/59/44/519735944.db2.gz YQQKRLROJYBWLG-IBGZPJMESA-N 1 1 443.592 1.784 50 0 IDAAMO CCOCCn1c(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000012529893 520068926 /nfs/dbraw/zinc/06/89/26/520068926.db2.gz DGKNTBCAQQCWNA-JXMROGBWSA-N 1 1 438.532 1.295 50 0 IDAAMO CCCC[N@@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887783 520399647 /nfs/dbraw/zinc/39/96/47/520399647.db2.gz QETJWJGUTGBPOH-UHFFFAOYSA-N 1 1 429.583 1.282 50 0 biogenic IDAAMO CC1=C(C(=O)NCC[N@H+](C)C2CCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887597 520797202 /nfs/dbraw/zinc/79/72/02/520797202.db2.gz RIJUKZZUGDWQQC-UHFFFAOYSA-N 1 1 427.567 1.035 50 0 biogenic IDAAMO CC1=C(C(=O)NCCC[N@H+](C)Cc2ccccc2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020981018 520797626 /nfs/dbraw/zinc/79/76/26/520797626.db2.gz PMLYTTRMIZFVHL-UHFFFAOYSA-N 1 1 449.573 1.292 50 0 biogenic IDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401379 521633314 /nfs/dbraw/zinc/63/33/14/521633314.db2.gz JTVVIRJUAJCZGE-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401379 521633318 /nfs/dbraw/zinc/63/33/18/521633318.db2.gz JTVVIRJUAJCZGE-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO COc1cc(C[NH2+]CCSc2nnc(C)[nH]2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012716450 522452490 /nfs/dbraw/zinc/45/24/90/522452490.db2.gz MVWLARKUDLOFHH-QGZVFWFLSA-N 1 1 437.566 1.076 50 0 IDAAMO COc1cc(OC)cc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c1 ZINC000035422007 522844623 /nfs/dbraw/zinc/84/46/23/522844623.db2.gz WQKPHTLQASHAOV-UHFFFAOYSA-N 1 1 446.592 1.844 50 0 IDAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]CCn3nc(C)cc3C)cc2)CC1 ZINC000012579726 522914305 /nfs/dbraw/zinc/91/43/05/522914305.db2.gz QITFCHMIBVEVPQ-QFIPXVFZSA-N 1 1 444.576 1.914 50 0 IDAAMO COCCN(CCC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001483 523691891 /nfs/dbraw/zinc/69/18/91/523691891.db2.gz LQDOUPQXJZSXRJ-UHFFFAOYSA-N 1 1 430.505 1.603 50 0 IDAAMO COCCN1C(=O)C[C@](CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)(c2ccccc2OC)C1=O ZINC000020453153 523799663 /nfs/dbraw/zinc/79/96/63/523799663.db2.gz UMDSYRMLSIBJHC-NTKDMRAZSA-N 1 1 445.560 1.527 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)CC1 ZINC000035423374 523899948 /nfs/dbraw/zinc/89/99/48/523899948.db2.gz BRCOHIFIMBDTGQ-UHFFFAOYSA-N 1 1 448.527 1.658 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000089745388 523966849 /nfs/dbraw/zinc/96/68/49/523966849.db2.gz SMMMDIMMLNYZRL-IAGOWNOFSA-N 1 1 427.892 1.461 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000089745388 523966852 /nfs/dbraw/zinc/96/68/52/523966852.db2.gz SMMMDIMMLNYZRL-IAGOWNOFSA-N 1 1 427.892 1.461 50 0 IDAAMO Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)CC2=O)cc1C ZINC000012592808 524455381 /nfs/dbraw/zinc/45/53/81/524455381.db2.gz NNBFSSHKYISXBV-NRFANRHFSA-N 1 1 426.561 1.607 50 0 IDAAMO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287757 524459750 /nfs/dbraw/zinc/45/97/50/524459750.db2.gz TWTGTJWPBCWVED-JXFKEZNVSA-N 1 1 430.574 1.866 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@@H+]1C ZINC000020599208 524794989 /nfs/dbraw/zinc/79/49/89/524794989.db2.gz KRVIOXVTIXKQKF-CLOONOSVSA-N 1 1 434.540 1.874 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@H+]1C ZINC000020599208 524795000 /nfs/dbraw/zinc/79/50/00/524795000.db2.gz KRVIOXVTIXKQKF-CLOONOSVSA-N 1 1 434.540 1.874 50 0 IDAAMO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH+]2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC000023339820 524885195 /nfs/dbraw/zinc/88/51/95/524885195.db2.gz LAIWNRRPQAXLTB-OKILXGFUSA-N 1 1 433.940 1.934 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000035374782 524952856 /nfs/dbraw/zinc/95/28/56/524952856.db2.gz DOUIWKYWWJPRLI-HSVZDLBDSA-N 1 1 439.899 1.950 50 0 IDAAMO COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCN3CCN(C)CC3)CC1)cn2C ZINC000035562271 525602073 /nfs/dbraw/zinc/60/20/73/525602073.db2.gz FEZWAMCSZNUAHG-UHFFFAOYSA-N 1 1 427.593 1.763 50 0 IDAAMO 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/nfs/dbraw/zinc/55/41/91/527554191.db2.gz ACRMZUVPFMGAPZ-XMMPIXPASA-N 1 1 425.573 1.595 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000021000391 527671810 /nfs/dbraw/zinc/67/18/10/527671810.db2.gz BLLNJHYLWFXZMD-SFHVURJKSA-N 1 1 432.546 1.362 50 0 IDAAMO C[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)CN(C(=O)c2ccccc2F)CC3)CC1 ZINC000034676708 555794682 /nfs/dbraw/zinc/79/46/82/555794682.db2.gz HOUBHPDCADPORE-UHFFFAOYSA-N 1 1 440.523 1.403 50 0 IDAAMO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677363 555795846 /nfs/dbraw/zinc/79/58/46/555795846.db2.gz IXVWJMUWHZRHPG-FQEVSTJZSA-N 1 1 448.539 1.895 50 0 IDAAMO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3cnccn3)c2)CC1 ZINC000011879818 556372128 /nfs/dbraw/zinc/37/21/28/556372128.db2.gz ROUKPMXPFZQBRY-OAQYLSRUSA-N 1 1 428.533 1.434 50 0 IDAAMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000014169171 556380855 /nfs/dbraw/zinc/38/08/55/556380855.db2.gz PSJOKBYUJUCRFF-UHFFFAOYSA-N 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Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000032863563 556448530 /nfs/dbraw/zinc/44/85/30/556448530.db2.gz VIHIZAKASZRAPS-IBGZPJMESA-N 1 1 438.594 1.368 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1OC ZINC000014880514 556453554 /nfs/dbraw/zinc/45/35/54/556453554.db2.gz WKNJKKABQQEAKZ-IBGZPJMESA-N 1 1 437.566 1.600 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(C)c1C ZINC000014887235 556455801 /nfs/dbraw/zinc/45/58/01/556455801.db2.gz PCTQTDHAQNRWED-HXUWFJFHSA-N 1 1 427.549 1.800 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@H+](Cc1ccccc1C)CC2 ZINC000014993007 556476220 /nfs/dbraw/zinc/47/62/20/556476220.db2.gz MNXQDRBPRPFUMS-IBGZPJMESA-N 1 1 425.529 1.821 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@H+](Cc1ccc(C)s1)CC2 ZINC000015002641 556480467 /nfs/dbraw/zinc/48/04/67/556480467.db2.gz SLUTXHFUQSOJTD-INIZCTEOSA-N 1 1 431.558 1.882 50 0 IDAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013164837 556497322 /nfs/dbraw/zinc/49/73/22/556497322.db2.gz CILFDNYXBGUAEY-FQEVSTJZSA-N 1 1 434.537 1.834 50 0 IDAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)c1 ZINC000015080479 556501108 /nfs/dbraw/zinc/50/11/08/556501108.db2.gz WJDHAQIDKCGGAP-HXUWFJFHSA-N 1 1 449.573 1.711 50 0 IDAAMO C[C@@H](CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072294485 556508149 /nfs/dbraw/zinc/50/81/49/556508149.db2.gz JQHJDEHVDMZRGK-GHTZIAJQSA-N 1 1 434.540 1.832 50 0 IDAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000013564829 556518644 /nfs/dbraw/zinc/51/86/44/556518644.db2.gz VVWSXINGABVMDJ-UHFFFAOYSA-N 1 1 431.514 1.526 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1C ZINC000013566289 556519098 /nfs/dbraw/zinc/51/90/98/556519098.db2.gz VAYSKTUCYXNCLD-UHFFFAOYSA-N 1 1 439.578 1.243 50 0 IDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000004562801 556520774 /nfs/dbraw/zinc/52/07/74/556520774.db2.gz LZRLIIBWAXOFMS-SFHVURJKSA-N 1 1 427.549 1.674 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562802 556521045 /nfs/dbraw/zinc/52/10/45/556521045.db2.gz FMXHWFGARBDNKJ-HDICACEKSA-N 1 1 427.549 1.387 50 0 IDAAMO COC(=O)c1c2c(sc1NC(=O)C(=O)NCCC[NH+]1CCOCC1)COC(C)(C)C2 ZINC000013593201 556531280 /nfs/dbraw/zinc/53/12/80/556531280.db2.gz MAFIDDJXOCAWDZ-UHFFFAOYSA-N 1 1 439.534 1.163 50 0 IDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016010026 556573588 /nfs/dbraw/zinc/57/35/88/556573588.db2.gz NWPDCQTUHRNAIP-RPWDQDSNSA-N 1 1 444.919 1.577 50 0 IDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016010027 556573718 /nfs/dbraw/zinc/57/37/18/556573718.db2.gz NWPDCQTUHRNAIP-DYXJYMTDSA-N 1 1 444.919 1.577 50 0 IDAAMO COc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000032987371 556607460 /nfs/dbraw/zinc/60/74/60/556607460.db2.gz XCSLGFAXPDCCTA-UHFFFAOYSA-N 1 1 449.533 1.154 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016527290 556614408 /nfs/dbraw/zinc/61/44/08/556614408.db2.gz HRBGCZIJNXGPCK-UHFFFAOYSA-N 1 1 429.970 1.579 50 0 IDAAMO CS(=O)(=O)N1CCCc2cc(C(=O)NC3CC[NH+](CC(=O)N4CCCC4)CC3)ccc21 ZINC000032934776 556677581 /nfs/dbraw/zinc/67/75/81/556677581.db2.gz BNBSDXKDUJLNOK-UHFFFAOYSA-N 1 1 448.589 1.215 50 0 IDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2OC)c1 ZINC000046140914 556691773 /nfs/dbraw/zinc/69/17/73/556691773.db2.gz FGUHHFUNIWUASM-UHFFFAOYSA-N 1 1 447.557 1.581 50 0 IDAAMO Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046141054 556692020 /nfs/dbraw/zinc/69/20/20/556692020.db2.gz CYFQYDXXAWNPBY-FQEVSTJZSA-N 1 1 436.622 1.547 50 0 IDAAMO COc1ccc(CN2CCN(CCO)CC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000019300688 556735194 /nfs/dbraw/zinc/73/51/94/556735194.db2.gz BTIYKQINZCWURQ-HSZRJFAPSA-N 1 1 443.588 1.677 50 0 IDAAMO COc1ccc(CN2CCN(CCO)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019300688 556735196 /nfs/dbraw/zinc/73/51/96/556735196.db2.gz BTIYKQINZCWURQ-HSZRJFAPSA-N 1 1 443.588 1.677 50 0 IDAAMO CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000057996065 556751610 /nfs/dbraw/zinc/75/16/10/556751610.db2.gz MTRKYYQFTDOGKF-HXUWFJFHSA-N 1 1 439.541 1.969 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061691 556817292 /nfs/dbraw/zinc/81/72/92/556817292.db2.gz WVLBGUFTBFDULZ-UHFFFAOYSA-N 1 1 430.578 1.867 50 0 IDAAMO CCCCn1c2nc(CN3CC[NH+](CCOc4ccccc4)CC3)n(C)c2c(=O)[nH]c1=O ZINC000062579975 556835380 /nfs/dbraw/zinc/83/53/80/556835380.db2.gz XWCVPCUNUMQYTF-UHFFFAOYSA-N 1 1 440.548 1.420 50 0 IDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000019643917 556838734 /nfs/dbraw/zinc/83/87/34/556838734.db2.gz IYPGURMRHCFAJT-FQEVSTJZSA-N 1 1 445.589 1.474 50 0 IDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000067629848 556845096 /nfs/dbraw/zinc/84/50/96/556845096.db2.gz XZDOYSJAKOATNM-UHFFFAOYSA-N 1 1 435.525 1.580 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)c(OC)c1 ZINC000072115895 556897941 /nfs/dbraw/zinc/89/79/41/556897941.db2.gz NUUXNAASRBBXDS-UHFFFAOYSA-N 1 1 433.534 1.605 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)ncn2)CC1 ZINC000072119315 556898556 /nfs/dbraw/zinc/89/85/56/556898556.db2.gz RISJQRDJTHFZEV-UHFFFAOYSA-N 1 1 425.493 1.311 50 0 IDAAMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000019938143 556952076 /nfs/dbraw/zinc/95/20/76/556952076.db2.gz RNCVFLADSZVSPL-HNNXBMFYSA-N 1 1 429.970 1.913 50 0 IDAAMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000020046306 556973296 /nfs/dbraw/zinc/97/32/96/556973296.db2.gz JZRYXWDVFLWPKF-UHFFFAOYSA-N 1 1 431.558 1.969 50 0 IDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3nc(C)cc(C)n3)c2)CC1 ZINC000020203608 556998061 /nfs/dbraw/zinc/99/80/61/556998061.db2.gz DOQCYPCTIFDXGM-QFIPXVFZSA-N 1 1 427.593 1.803 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)CC1 ZINC000033276246 557056358 /nfs/dbraw/zinc/05/63/58/557056358.db2.gz CMSKXJLZNZTIIC-HNNXBMFYSA-N 1 1 447.561 1.753 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)CC1 ZINC000033276245 557056544 /nfs/dbraw/zinc/05/65/44/557056544.db2.gz CMSKXJLZNZTIIC-OAHLLOKOSA-N 1 1 447.561 1.753 50 0 IDAAMO C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048302493 557063728 /nfs/dbraw/zinc/06/37/28/557063728.db2.gz KULHQTZOBFRAEZ-GXTWGEPZSA-N 1 1 437.616 1.987 50 0 IDAAMO O=C(CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1)N1CCCCC1 ZINC000048302593 557063926 /nfs/dbraw/zinc/06/39/26/557063926.db2.gz YIFJKNYMZJISDG-JOCHJYFZSA-N 1 1 430.618 1.933 50 0 IDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2)[NH+]1CCCC1 ZINC000049512836 557114165 /nfs/dbraw/zinc/11/41/65/557114165.db2.gz ABCQOHQIIYGNCJ-HXUWFJFHSA-N 1 1 435.528 1.752 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115747 557156458 /nfs/dbraw/zinc/15/64/58/557156458.db2.gz KSQBJQBUSNNORM-HULNYRCFSA-N 1 1 447.491 1.589 50 0 IDAAMO COC(=O)[C@H](C[NH+]1CCN(c2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000024927235 557180246 /nfs/dbraw/zinc/18/02/46/557180246.db2.gz IRRDDUWDHNSBTL-QFBILLFUSA-N 1 1 426.439 1.781 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000026456020 557241392 /nfs/dbraw/zinc/24/13/92/557241392.db2.gz KYAAHZKAGBSQIY-INIZCTEOSA-N 1 1 425.551 1.269 50 0 IDAAMO COCCCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1nc1c(C)cccn1c2=O ZINC000033558363 557410861 /nfs/dbraw/zinc/41/08/61/557410861.db2.gz YQSIULMNBMSYQJ-UHFFFAOYSA-N 1 1 441.532 1.446 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000105347902 557495690 /nfs/dbraw/zinc/49/56/90/557495690.db2.gz JDIRXVFLIVGBPN-NHRZQYMUSA-N 1 1 443.862 1.781 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105347266 557495719 /nfs/dbraw/zinc/49/57/19/557495719.db2.gz WOVDBFKGXHXRMP-BYWWRHNPSA-N 1 1 443.862 1.781 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCN2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000105856413 557511984 /nfs/dbraw/zinc/51/19/84/557511984.db2.gz WMMDFNINVZMBGP-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)cc1C ZINC000045974710 557556664 /nfs/dbraw/zinc/55/66/64/557556664.db2.gz OFIHWHCIDAFONE-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(N2CCCCC2)ncc1Cl ZINC000040153347 557704762 /nfs/dbraw/zinc/70/47/62/557704762.db2.gz ZYOKNFTVDIMKHK-UHFFFAOYSA-N 1 1 444.971 1.852 50 0 IDAAMO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCNC(C)=O)C1CCSCC1 ZINC000225788073 557778095 /nfs/dbraw/zinc/77/80/95/557778095.db2.gz WYZLNVMWESHEQB-FQEVSTJZSA-N 1 1 433.574 1.447 50 0 IDAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 ZINC000009390620 562969831 /nfs/dbraw/zinc/96/98/31/562969831.db2.gz XPUHJJXHBDNVNV-UHFFFAOYSA-N 1 1 426.498 1.848 50 0 IDAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C(N)=O)C1 ZINC000009390620 562969832 /nfs/dbraw/zinc/96/98/32/562969832.db2.gz XPUHJJXHBDNVNV-UHFFFAOYSA-N 1 1 426.498 1.848 50 0 IDAAMO Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)s1 ZINC000020414945 563024669 /nfs/dbraw/zinc/02/46/69/563024669.db2.gz VLZAMFFYGHEALX-UHFFFAOYSA-N 1 1 445.637 1.916 50 0 IDAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3cccnc3)cc2OC)CC1 ZINC000023374822 568613570 /nfs/dbraw/zinc/61/35/70/568613570.db2.gz DJTLUMCXBDFUKX-QFIPXVFZSA-N 1 1 428.577 1.800 50 0 IDAAMO CCOC(=O)CCc1c(C)c2ccc(=O)c(C[NH2+][C@@]3(C)CCS(=O)(=O)C3)c-2oc1O ZINC000334158311 568750890 /nfs/dbraw/zinc/75/08/90/568750890.db2.gz FYMHJINDMAWQOQ-NRFANRHFSA-N 1 1 437.514 1.921 50 0 IDAAMO COc1ccc(CNc2nc(N3CCOCC3)nc(NCc3ccc(OC)nc3)[nH+]2)cn1 ZINC000083962627 568787314 /nfs/dbraw/zinc/78/73/14/568787314.db2.gz DHPXQAPGBFIISI-UHFFFAOYSA-N 1 1 438.492 1.740 50 0 IDAAMO Cc1nnnn1-c1cccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000084297427 568796834 /nfs/dbraw/zinc/79/68/34/568796834.db2.gz GNXMZWBATIJEBS-UHFFFAOYSA-N 1 1 426.525 1.379 50 0 IDAAMO CN(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1nnc(N2CCCC2=O)s1 ZINC000015777284 568823858 /nfs/dbraw/zinc/82/38/58/568823858.db2.gz RJSOLBDKHWHJNO-UHFFFAOYSA-N 1 1 428.562 1.666 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967487 568860611 /nfs/dbraw/zinc/86/06/11/568860611.db2.gz HBCVETSGEQSJJA-WKVINZIJSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO COC(=O)Cn1c2ccc(S(=O)(=O)NCC[N@@H+](C)C3CCCCC3)cc2oc1=O ZINC000035478293 568882535 /nfs/dbraw/zinc/88/25/35/568882535.db2.gz ROULIJSKKXDKDT-UHFFFAOYSA-N 1 1 425.507 1.310 50 0 IDAAMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc(I)cc2)CC1 ZINC000089310412 568920799 /nfs/dbraw/zinc/92/07/99/568920799.db2.gz PXUNXBJBOOFBIW-UHFFFAOYSA-N 1 1 430.290 1.919 50 0 IDAAMO Cc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086363 568948607 /nfs/dbraw/zinc/94/86/07/568948607.db2.gz BNXJAGPFEBDUIG-UHFFFAOYSA-N 1 1 447.539 1.755 50 0 IDAAMO Cc1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086587 568949033 /nfs/dbraw/zinc/94/90/33/568949033.db2.gz ABZSWKANDFQTCA-UHFFFAOYSA-N 1 1 437.475 1.278 50 0 IDAAMO CC(C)[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680479 568991658 /nfs/dbraw/zinc/99/16/58/568991658.db2.gz NNRXMCVLIFZRRB-YADHBBJMSA-N 1 1 437.556 1.318 50 0 IDAAMO CC(C)[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccc(F)cc2)C1 ZINC000169680479 568991659 /nfs/dbraw/zinc/99/16/59/568991659.db2.gz NNRXMCVLIFZRRB-YADHBBJMSA-N 1 1 437.556 1.318 50 0 IDAAMO CC[N@@H+](CCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000064966894 569001479 /nfs/dbraw/zinc/00/14/79/569001479.db2.gz DTFKKBPHIJCKLK-UHFFFAOYSA-N 1 1 441.919 1.837 50 0 IDAAMO Cc1nc(C)c(Cc2ccccc2)c(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000036340441 569078673 /nfs/dbraw/zinc/07/86/73/569078673.db2.gz INHRSOUVDFZILH-QFIPXVFZSA-N 1 1 425.577 1.499 50 0 IDAAMO CCn1c(=O)n(CC(=O)N2CC[NH+](C)CC2)c(=O)c2cnc(-c3ccc(Cl)cc3)nc21 ZINC000065056964 569095052 /nfs/dbraw/zinc/09/50/52/569095052.db2.gz CCDZSPAPBSSNMY-UHFFFAOYSA-N 1 1 442.907 1.068 50 0 IDAAMO C[C@H](NC(=O)COc1ccccc1)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036396343 569098921 /nfs/dbraw/zinc/09/89/21/569098921.db2.gz LGZQORCTJMLMMK-SFHVURJKSA-N 1 1 448.564 1.629 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cn3)cn2)CC1 ZINC000065254364 569122610 /nfs/dbraw/zinc/12/26/10/569122610.db2.gz ZFXADOMMMUBJRO-QGZVFWFLSA-N 1 1 446.577 1.466 50 0 IDAAMO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cc4n(c3)CCCNC4=O)cc2)CC1 ZINC000065258707 569124574 /nfs/dbraw/zinc/12/45/74/569124574.db2.gz QIGXXLICSNLFCL-UHFFFAOYSA-N 1 1 431.562 1.560 50 0 IDAAMO Cn1cc2c(n1)nc(C(=O)NCC[N@@H+]1CCc3ccccc3C1)nc2N1CCSCC1 ZINC000065284444 569130153 /nfs/dbraw/zinc/13/01/53/569130153.db2.gz ZPVKLEQATNERFM-UHFFFAOYSA-N 1 1 437.573 1.705 50 0 IDAAMO Cn1cc2c(n1)nc(C(=O)NCC[N@H+]1CCc3ccccc3C1)nc2N1CCSCC1 ZINC000065284444 569130154 /nfs/dbraw/zinc/13/01/54/569130154.db2.gz ZPVKLEQATNERFM-UHFFFAOYSA-N 1 1 437.573 1.705 50 0 IDAAMO Cn1c2c(C(=O)NCc3ccccn3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065301748 569132833 /nfs/dbraw/zinc/13/28/33/569132833.db2.gz RFLFARFELHIWCE-UHFFFAOYSA-N 1 1 428.496 1.916 50 0 IDAAMO CC[N@H+](CCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591769 569140979 /nfs/dbraw/zinc/14/09/79/569140979.db2.gz CKUJFLKQVIRCOB-SJLPKXTDSA-N 1 1 443.548 1.196 50 0 IDAAMO CC[N@@H+](CCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591769 569140981 /nfs/dbraw/zinc/14/09/81/569140981.db2.gz CKUJFLKQVIRCOB-SJLPKXTDSA-N 1 1 443.548 1.196 50 0 IDAAMO Cc1cc(=O)c(C(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)nn1-c1ccccc1 ZINC000170599039 569142468 /nfs/dbraw/zinc/14/24/68/569142468.db2.gz TZHXFLOIKIOVPT-UHFFFAOYSA-N 1 1 425.533 1.021 50 0 IDAAMO O=C(NCC1CC1)[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598103 569159694 /nfs/dbraw/zinc/15/96/94/569159694.db2.gz ODJIDGNALLTFAK-VXKWHMMOSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCC1CC1)[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598103 569159695 /nfs/dbraw/zinc/15/96/95/569159695.db2.gz ODJIDGNALLTFAK-VXKWHMMOSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCC[NH+]1CCOCC1 ZINC000252537994 569190154 /nfs/dbraw/zinc/19/01/54/569190154.db2.gz MNFRSXDANMORJN-LJQANCHMSA-N 1 1 427.505 1.064 50 0 IDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000252539263 569190211 /nfs/dbraw/zinc/19/02/11/569190211.db2.gz NYABTHJWPWMUDG-LJQANCHMSA-N 1 1 425.489 1.467 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000037409821 569195323 /nfs/dbraw/zinc/19/53/23/569195323.db2.gz JZVHDEAURCVOLW-AOMKIAJQSA-N 1 1 432.569 1.104 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000252694693 569211042 /nfs/dbraw/zinc/21/10/42/569211042.db2.gz OJLSSLQLXZDJDV-VBKCDYCISA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO Cc1nc2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000078902859 569320141 /nfs/dbraw/zinc/32/01/41/569320141.db2.gz WLQBYYVOYMPEQB-RXVVDRJESA-N 1 1 448.589 1.791 50 0 IDAAMO Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccn(CC(=O)N3CC[NH+](C)CC3)n2)C(C)C)cc1 ZINC000095399037 569363696 /nfs/dbraw/zinc/36/36/96/569363696.db2.gz WXTYTYYIBBOMRT-OAQYLSRUSA-N 1 1 440.548 1.359 50 0 IDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000230067622 569419832 /nfs/dbraw/zinc/41/98/32/569419832.db2.gz XVIRFDPGPQMXJM-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000230067622 569419833 /nfs/dbraw/zinc/41/98/33/569419833.db2.gz XVIRFDPGPQMXJM-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000230152268 569439551 /nfs/dbraw/zinc/43/95/51/569439551.db2.gz ATCQGZNHCZIYLC-IMFGXOCKSA-N 1 1 433.574 1.893 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000230154510 569439659 /nfs/dbraw/zinc/43/96/59/569439659.db2.gz PJSFWMUDPZRYJK-ROUUACIJSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000230154510 569439660 /nfs/dbraw/zinc/43/96/60/569439660.db2.gz PJSFWMUDPZRYJK-ROUUACIJSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000230154510 569439661 /nfs/dbraw/zinc/43/96/61/569439661.db2.gz PJSFWMUDPZRYJK-ROUUACIJSA-N 1 1 426.483 1.892 50 0 IDAAMO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)CC1 ZINC000670456217 569458444 /nfs/dbraw/zinc/45/84/44/569458444.db2.gz VIWIZIJZUAHLBT-KWLQHXCVSA-N 1 1 425.577 1.064 50 0 IDAAMO CC(C)C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[NH+]1CCOCC1 ZINC000040072736 569485996 /nfs/dbraw/zinc/48/59/96/569485996.db2.gz IMBADQSSJBXBFC-LJQANCHMSA-N 1 1 438.594 1.345 50 0 IDAAMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000040105781 569488269 /nfs/dbraw/zinc/48/82/69/569488269.db2.gz XNJWXTLNFRZYAU-FQEVSTJZSA-N 1 1 429.565 1.708 50 0 IDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1nc(N2CCCC2)ncc1Cl ZINC000040153346 569493533 /nfs/dbraw/zinc/49/35/33/569493533.db2.gz HDIPUCRRZVXPHG-UHFFFAOYSA-N 1 1 430.944 1.462 50 0 IDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009593184 569550390 /nfs/dbraw/zinc/55/03/90/569550390.db2.gz HSMWQNLAKNLPRO-FQEVSTJZSA-N 1 1 429.542 1.712 50 0 IDAAMO Cn1nc(C2CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)c1=O ZINC000077100653 569585412 /nfs/dbraw/zinc/58/54/12/569585412.db2.gz IWABKYLQJIZXDP-UHFFFAOYSA-N 1 1 449.511 1.796 50 0 IDAAMO NC(=O)c1ccc(NC(=O)CN2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)cc1 ZINC000077159565 569585762 /nfs/dbraw/zinc/58/57/62/569585762.db2.gz OGVLSKOTYDRBBZ-UHFFFAOYSA-N 1 1 432.528 1.905 50 0 IDAAMO O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096231709 193938700 /nfs/dbraw/zinc/93/87/00/193938700.db2.gz MREGAIBSUBSRFS-NRFANRHFSA-N 1 1 435.528 1.669 50 0 IDAAMO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000035422028 519709528 /nfs/dbraw/zinc/70/95/28/519709528.db2.gz VMWPOVLBTVSULF-LJQANCHMSA-N 1 1 443.592 1.784 50 0 IDAAMO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000035422028 519709529 /nfs/dbraw/zinc/70/95/29/519709529.db2.gz VMWPOVLBTVSULF-LJQANCHMSA-N 1 1 443.592 1.784 50 0 IDAAMO CCCc1cc(=O)n2nc(N3CCC(C(=O)NC[C@@H]4CCC[N@H+]4CC)CC3)sc2n1 ZINC000021165926 521346181 /nfs/dbraw/zinc/34/61/81/521346181.db2.gz VQYLEZBLMLXKID-KRWDZBQOSA-N 1 1 432.594 1.920 50 0 IDAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196748 522030533 /nfs/dbraw/zinc/03/05/33/522030533.db2.gz BGERZPUOVDSXPY-KRWDZBQOSA-N 1 1 445.497 1.650 50 0 IDAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020998592 522677357 /nfs/dbraw/zinc/67/73/57/522677357.db2.gz IZDKFLKLQRHEQC-MSOLQXFVSA-N 1 1 429.542 1.677 50 0 IDAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020998592 522677366 /nfs/dbraw/zinc/67/73/66/522677366.db2.gz IZDKFLKLQRHEQC-MSOLQXFVSA-N 1 1 429.542 1.677 50 0 IDAAMO C[N@H+](CCC(=O)NC[C@H]1Cc2cccc(-c3ccccn3)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020998594 522677994 /nfs/dbraw/zinc/67/79/94/522677994.db2.gz IZDKFLKLQRHEQC-QZTJIDSGSA-N 1 1 429.542 1.677 50 0 IDAAMO C[N@@H+](CCC(=O)NC[C@H]1Cc2cccc(-c3ccccn3)c2O1)[C@@H]1CCS(=O)(=O)C1 ZINC000020998594 522678005 /nfs/dbraw/zinc/67/80/05/522678005.db2.gz IZDKFLKLQRHEQC-QZTJIDSGSA-N 1 1 429.542 1.677 50 0 IDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1OC)CC2 ZINC000020780744 522956133 /nfs/dbraw/zinc/95/61/33/522956133.db2.gz MXMDVRTZFCHVTK-MRXNPFEDSA-N 1 1 431.537 1.876 50 0 IDAAMO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCC(=O)N(CCC[NH+]3CCOCC3)C1)CC2 ZINC000020453956 523028693 /nfs/dbraw/zinc/02/86/93/523028693.db2.gz LHKNCWQUYAWUPJ-LJQANCHMSA-N 1 1 445.560 1.549 50 0 IDAAMO C[NH+]1CCN(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@]23c2ccccc2NC3=O)CC1 ZINC000020636512 523892093 /nfs/dbraw/zinc/89/20/93/523892093.db2.gz KNXNFZNQVLNUGG-RUZDIDTESA-N 1 1 429.524 1.996 50 0 biogenic IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000016020879 524020513 /nfs/dbraw/zinc/02/05/13/524020513.db2.gz BUPDNDBUWANODG-HOTVIMPFSA-N 1 1 439.443 1.136 50 0 IDAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)NCCC[NH+]3CCOCC3)c2)C1 ZINC000020664150 524101577 /nfs/dbraw/zinc/10/15/77/524101577.db2.gz XWVJQYLUNILCQH-INIZCTEOSA-N 1 1 427.542 1.698 50 0 IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cccc2C ZINC000035363832 524445802 /nfs/dbraw/zinc/44/58/02/524445802.db2.gz PPCAFGJIMNCBIO-RMIXQUSFSA-N 1 1 435.480 1.305 50 0 biogenic IDAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(C)nc4c3c(=O)n(C)c(=O)n4C)C2)cc1 ZINC000035505628 524469045 /nfs/dbraw/zinc/46/90/45/524469045.db2.gz UJNBXEZGBWPJOM-GOSISDBHSA-N 1 1 435.528 1.501 50 0 IDAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 ZINC000012217763 524706011 /nfs/dbraw/zinc/70/60/11/524706011.db2.gz ZQNFBKVXAVPDLE-SJLPKXTDSA-N 1 1 441.532 1.396 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@@H+]1C ZINC000020599210 524794258 /nfs/dbraw/zinc/79/42/58/524794258.db2.gz KRVIOXVTIXKQKF-KBMIEXCESA-N 1 1 434.540 1.874 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@H+]1C ZINC000020599210 524794273 /nfs/dbraw/zinc/79/42/73/524794273.db2.gz KRVIOXVTIXKQKF-KBMIEXCESA-N 1 1 434.540 1.874 50 0 IDAAMO Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C(C)C)CC4)n3)CC2)cc1 ZINC000035926745 524964070 /nfs/dbraw/zinc/96/40/70/524964070.db2.gz YIJMOZIXSNTIQZ-UHFFFAOYSA-N 1 1 438.576 1.705 50 0 IDAAMO CS(=O)(=O)N1CCN(C(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC000022799156 525175068 /nfs/dbraw/zinc/17/50/68/525175068.db2.gz UYASZZOFIMJSBZ-UHFFFAOYSA-N 1 1 436.603 1.123 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967484 525590714 /nfs/dbraw/zinc/59/07/14/525590714.db2.gz HBCVETSGEQSJJA-UJAPCULTSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2)[C@@H]1CCC(=O)N1 ZINC000020453501 526839154 /nfs/dbraw/zinc/83/91/54/526839154.db2.gz VFDOEVARIDEEBQ-SFHVURJKSA-N 1 1 434.500 1.491 50 0 IDAAMO O=C(COc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000012123052 526985051 /nfs/dbraw/zinc/98/50/51/526985051.db2.gz YLEWUUZDINUTFH-UHFFFAOYSA-N 1 1 433.512 1.967 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556939 527670808 /nfs/dbraw/zinc/67/08/08/527670808.db2.gz PWXUWDQGGGHRMK-GOSISDBHSA-N 1 1 441.580 1.608 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000035893759 527671801 /nfs/dbraw/zinc/67/18/01/527671801.db2.gz HEJOCFWGJPBAMR-UNMCSNQZSA-N 1 1 436.560 1.183 50 0 IDAAMO CC(=O)c1ccc(NC(=O)C[C@@H]2N=C(N3CC[NH+](Cc4ccccc4)CC3)NC2=O)cc1 ZINC000013690222 556279304 /nfs/dbraw/zinc/27/93/04/556279304.db2.gz KDJWIQBSPPZZFT-NRFANRHFSA-N 1 1 433.512 1.890 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011788384 556354508 /nfs/dbraw/zinc/35/45/08/556354508.db2.gz VHPBDAGICQWNBP-INIZCTEOSA-N 1 1 443.548 1.957 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011788384 556354511 /nfs/dbraw/zinc/35/45/11/556354511.db2.gz VHPBDAGICQWNBP-INIZCTEOSA-N 1 1 443.548 1.957 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1OC ZINC000014970832 556467200 /nfs/dbraw/zinc/46/72/00/556467200.db2.gz QBJIBRVEWFTGNF-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N1CC[NH+](C)CC1 ZINC000013557307 556517196 /nfs/dbraw/zinc/51/71/96/556517196.db2.gz DYETYILBGCWBFC-UKXGOWJFSA-N 1 1 430.574 1.561 50 0 IDAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671307 556542699 /nfs/dbraw/zinc/54/26/99/556542699.db2.gz XVZAEJUDFLGAAV-UHFFFAOYSA-N 1 1 437.953 1.786 50 0 IDAAMO C[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+]1CCOCC1 ZINC000072306616 556558395 /nfs/dbraw/zinc/55/83/95/556558395.db2.gz UEMJKBZVKVZLFW-LIRRHRJNSA-N 1 1 440.338 1.001 50 0 IDAAMO O=S(=O)(CCN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000015868825 556559424 /nfs/dbraw/zinc/55/94/24/556559424.db2.gz VGFRERPQBOHNNR-UHFFFAOYSA-N 1 1 435.999 1.508 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016013447 556574429 /nfs/dbraw/zinc/57/44/29/556574429.db2.gz JDIRXVFLIVGBPN-CFXBOMGRSA-N 1 1 443.862 1.781 50 0 IDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024569 556575998 /nfs/dbraw/zinc/57/59/98/556575998.db2.gz UXKZVKPESZJUQE-UKJHCGGJSA-N 1 1 436.306 1.350 50 0 IDAAMO Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890406 556608429 /nfs/dbraw/zinc/60/84/29/556608429.db2.gz JWTOCEVOPNUUCZ-MRXNPFEDSA-N 1 1 425.533 1.974 50 0 IDAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000046140929 556691787 /nfs/dbraw/zinc/69/17/87/556691787.db2.gz SHJCJWPTTULQBO-UHFFFAOYSA-N 1 1 435.521 1.712 50 0 IDAAMO Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046141055 556692203 /nfs/dbraw/zinc/69/22/03/556692203.db2.gz CYFQYDXXAWNPBY-HXUWFJFHSA-N 1 1 436.622 1.547 50 0 IDAAMO C[C@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)Cc1cccs1 ZINC000046141059 556692466 /nfs/dbraw/zinc/69/24/66/556692466.db2.gz QCVRTCSFRVUDQB-SFHVURJKSA-N 1 1 442.651 1.229 50 0 IDAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997357 556751863 /nfs/dbraw/zinc/75/18/63/556751863.db2.gz SFWOGLMCWSADDS-AZUAARDMSA-N 1 1 427.505 1.150 50 0 IDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)CC1 ZINC000019527809 556787455 /nfs/dbraw/zinc/78/74/55/556787455.db2.gz YLWCNDRSNDYDAP-UHFFFAOYSA-N 1 1 425.551 1.269 50 0 IDAAMO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000033061817 556817276 /nfs/dbraw/zinc/81/72/76/556817276.db2.gz JJXVEFQQQKYHMX-UHFFFAOYSA-N 1 1 433.534 1.570 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033061945 556817515 /nfs/dbraw/zinc/81/75/15/556817515.db2.gz ZDAZIWMROXNBFJ-UHFFFAOYSA-N 1 1 434.541 1.616 50 0 IDAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(CO)o1)CC2 ZINC000019739746 556878868 /nfs/dbraw/zinc/87/88/68/556878868.db2.gz NJMIAVCYWGHESQ-INIZCTEOSA-N 1 1 425.489 1.678 50 0 IDAAMO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(CO)o1)CC2 ZINC000019739746 556878871 /nfs/dbraw/zinc/87/88/71/556878871.db2.gz NJMIAVCYWGHESQ-INIZCTEOSA-N 1 1 425.489 1.678 50 0 IDAAMO O=S(=O)(c1cc(F)ccc1F)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072117727 556898216 /nfs/dbraw/zinc/89/82/16/556898216.db2.gz LPBHDMKKASLEFP-UHFFFAOYSA-N 1 1 425.461 1.102 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000019861129 556933699 /nfs/dbraw/zinc/93/36/99/556933699.db2.gz LFLVOAOHSQKRDD-SFHVURJKSA-N 1 1 443.997 1.720 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019897195 556940330 /nfs/dbraw/zinc/94/03/30/556940330.db2.gz PTRWBYQFKGIRQJ-UHFFFAOYSA-N 1 1 431.558 1.969 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)n(CCc2ccccc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000020061989 556976270 /nfs/dbraw/zinc/97/62/70/556976270.db2.gz VWYZKXVSBMHSQX-UHFFFAOYSA-N 1 1 436.516 1.033 50 0 IDAAMO Cc1ccn(CC(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000020234348 557001918 /nfs/dbraw/zinc/00/19/18/557001918.db2.gz AMZLXNVDCMJTEJ-HXUWFJFHSA-N 1 1 425.533 1.729 50 0 IDAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944838 557027655 /nfs/dbraw/zinc/02/76/55/557027655.db2.gz NDMFFOCWFRQTFJ-AWEZNQCLSA-N 1 1 425.455 1.730 50 0 IDAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022935148 557052581 /nfs/dbraw/zinc/05/25/81/557052581.db2.gz YSONUSLZHBYNPY-UHFFFAOYSA-N 1 1 445.608 1.411 50 0 IDAAMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[NH+]2CCCC2)c1 ZINC000048309589 557059948 /nfs/dbraw/zinc/05/99/48/557059948.db2.gz SLILHNVHYPYYKR-LJQANCHMSA-N 1 1 439.559 1.458 50 0 IDAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000023338772 557085109 /nfs/dbraw/zinc/08/51/09/557085109.db2.gz WEEBPTLLJALJOS-LJQANCHMSA-N 1 1 427.549 1.351 50 0 IDAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCC[C@H](CN2CCOCC2)C1)N1CCOCC1 ZINC000023338772 557085112 /nfs/dbraw/zinc/08/51/12/557085112.db2.gz WEEBPTLLJALJOS-LJQANCHMSA-N 1 1 427.549 1.351 50 0 IDAAMO COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1OC ZINC000033318637 557100021 /nfs/dbraw/zinc/10/00/21/557100021.db2.gz SGLMBTCMOHMUCC-UHFFFAOYSA-N 1 1 442.520 1.993 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)C3CCCCC3)CC2)c1 ZINC000023695293 557107261 /nfs/dbraw/zinc/10/72/61/557107261.db2.gz AAXXLBLCFPTRRC-UHFFFAOYSA-N 1 1 439.578 1.801 50 0 IDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)[NH+](C)C ZINC000049512749 557114197 /nfs/dbraw/zinc/11/41/97/557114197.db2.gz WJGGIJFCCMQYOD-IBGZPJMESA-N 1 1 447.561 1.095 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000024612625 557155500 /nfs/dbraw/zinc/15/55/00/557155500.db2.gz YKKUTNSAFFIXKE-UHFFFAOYSA-N 1 1 427.542 1.206 50 0 IDAAMO NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000025607220 557218748 /nfs/dbraw/zinc/21/87/48/557218748.db2.gz NMTSAGMJNGXCQJ-ZWKOTPCHSA-N 1 1 436.940 1.027 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000101452021 557292753 /nfs/dbraw/zinc/29/27/53/557292753.db2.gz XNXNWJFYULHZJU-HULNYRCFSA-N 1 1 447.491 1.589 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000105378474 557496961 /nfs/dbraw/zinc/49/69/61/557496961.db2.gz SQGPABFIJDWYSY-ZHQAUJEGSA-N 1 1 449.507 1.559 50 0 biogenic IDAAMO CC(C)(C)OC(=O)CCOCCOCC[N@@H+](CCO)CCOCCC(=O)OC(C)(C)C ZINC000203369751 557546015 /nfs/dbraw/zinc/54/60/15/557546015.db2.gz NDUSGJYXAXJOQA-UHFFFAOYSA-N 1 1 449.585 1.794 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)c1 ZINC000045945175 557553548 /nfs/dbraw/zinc/55/35/48/557553548.db2.gz FZNPJJYGBDWEHU-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO CCc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000045945208 557553599 /nfs/dbraw/zinc/55/35/99/557553599.db2.gz SYTDQMKIFIPKMS-UHFFFAOYSA-N 1 1 436.622 1.548 50 0 IDAAMO C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945228 557554017 /nfs/dbraw/zinc/55/40/17/557554017.db2.gz YIUDYAQAKXDZLO-GOSISDBHSA-N 1 1 440.585 1.513 50 0 IDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945228 557554019 /nfs/dbraw/zinc/55/40/19/557554019.db2.gz YIUDYAQAKXDZLO-GOSISDBHSA-N 1 1 440.585 1.513 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000229881311 557833367 /nfs/dbraw/zinc/83/33/67/557833367.db2.gz BUPDNDBUWANODG-AVGVDARLSA-N 1 1 439.443 1.136 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004077248 562941535 /nfs/dbraw/zinc/94/15/35/562941535.db2.gz GEEQKJAEZUJADN-HUUCEWRRSA-N 1 1 437.591 1.693 50 0 IDAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1n[nH]c2ccccc21 ZINC000299756918 568755540 /nfs/dbraw/zinc/75/55/40/568755540.db2.gz DTMKJZHQIZSVNT-GOSISDBHSA-N 1 1 425.533 1.642 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@H+](CCCc1ccccc1)CC2 ZINC000299756439 568755572 /nfs/dbraw/zinc/75/55/72/568755572.db2.gz IIJWIYFCRGSUKM-UHFFFAOYSA-N 1 1 438.572 1.735 50 0 IDAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518341 568796429 /nfs/dbraw/zinc/79/64/29/568796429.db2.gz KSQKTCUQPSUZOU-HXUWFJFHSA-N 1 1 447.557 1.847 50 0 IDAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518341 568796431 /nfs/dbraw/zinc/79/64/31/568796431.db2.gz KSQKTCUQPSUZOU-HXUWFJFHSA-N 1 1 447.557 1.847 50 0 IDAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518340 568796565 /nfs/dbraw/zinc/79/65/65/568796565.db2.gz KSQKTCUQPSUZOU-FQEVSTJZSA-N 1 1 447.557 1.847 50 0 IDAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000015518340 568796566 /nfs/dbraw/zinc/79/65/66/568796566.db2.gz KSQKTCUQPSUZOU-FQEVSTJZSA-N 1 1 447.557 1.847 50 0 IDAAMO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000084535943 568798589 /nfs/dbraw/zinc/79/85/89/568798589.db2.gz CDHOXNAHQNAYKQ-SFHVURJKSA-N 1 1 426.542 1.754 50 0 IDAAMO O=C(CCc1nnc2ccc(N3CCOCC3)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015678924 568805491 /nfs/dbraw/zinc/80/54/91/568805491.db2.gz VVLYHCOSACYTER-UHFFFAOYSA-N 1 1 435.532 1.238 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958406 568860333 /nfs/dbraw/zinc/86/03/33/568860333.db2.gz SQGPABFIJDWYSY-RAEPRXOMSA-N 1 1 449.507 1.559 50 0 biogenic IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015967486 568860635 /nfs/dbraw/zinc/86/06/35/568860635.db2.gz HBCVETSGEQSJJA-NRGSMNHXSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO Cc1c2c(ccc1Cl)[C@]1([NH2+][C@@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968279 568861286 /nfs/dbraw/zinc/86/12/86/568861286.db2.gz LPHFXVHCLFLXOK-DDOIHHOZSA-N 1 1 439.899 1.604 50 0 biogenic IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033014 568867609 /nfs/dbraw/zinc/86/76/09/568867609.db2.gz XJBNWBJVVISKKM-XVIHEJCXSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]12 ZINC000245247193 568913502 /nfs/dbraw/zinc/91/35/02/568913502.db2.gz RFKOLPRGCFYIKK-MGPQRACWSA-N 1 1 440.459 1.640 50 0 IDAAMO Cc1ccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000036094010 568950843 /nfs/dbraw/zinc/95/08/43/568950843.db2.gz KEQWBDJAAXPJNK-UHFFFAOYSA-N 1 1 447.539 1.755 50 0 IDAAMO CC[C@H](C(=O)NCCC[NH+]1CCN(CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787524 568956301 /nfs/dbraw/zinc/95/63/01/568956301.db2.gz IBUFIBAZPIKNAK-HXUWFJFHSA-N 1 1 438.576 1.983 50 0 IDAAMO CCN1CCN(C(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)CC1 ZINC000064836040 568969189 /nfs/dbraw/zinc/96/91/89/568969189.db2.gz AYPOXHNVXBXZJW-UHFFFAOYSA-N 1 1 434.544 1.369 50 0 IDAAMO Cc1onc2c1c(C)nn(CC(=O)NCC[NH+]1CCN(c3cccc(Cl)c3)CC1)c2=O ZINC000064842297 568970714 /nfs/dbraw/zinc/97/07/14/568970714.db2.gz GYQFXEOLGKDYHI-UHFFFAOYSA-N 1 1 444.923 1.593 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nc4ccccc4n(C)c3=O)CC2)CC1 ZINC000064873848 568978640 /nfs/dbraw/zinc/97/86/40/568978640.db2.gz NBUXEOWNFYWYGD-UHFFFAOYSA-N 1 1 440.592 1.294 50 0 IDAAMO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)C2)cc1 ZINC000064966795 569001533 /nfs/dbraw/zinc/00/15/33/569001533.db2.gz MZXOLKPFAYISFH-HXUWFJFHSA-N 1 1 447.539 1.800 50 0 IDAAMO COc1ccc(NC(=O)N2CC(=O)N(CC(=O)N3CC[NH+](C)CC3)c3ccccc32)cc1 ZINC000064971591 569076770 /nfs/dbraw/zinc/07/67/70/569076770.db2.gz COJYXCJLEKPONT-UHFFFAOYSA-N 1 1 437.500 1.854 50 0 IDAAMO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025329 569090625 /nfs/dbraw/zinc/09/06/25/569090625.db2.gz UHASDDMTDVDNGL-UHFFFAOYSA-N 1 1 447.561 1.783 50 0 IDAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114011 569108506 /nfs/dbraw/zinc/10/85/06/569108506.db2.gz RWRLNIPGDSXICL-INIZCTEOSA-N 1 1 435.550 1.981 50 0 IDAAMO Cc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CC[NH+](C)CC5)n4)ccn3n2)cc1C ZINC000065235832 569119390 /nfs/dbraw/zinc/11/93/90/569119390.db2.gz SOJDCDVUYLEFPO-UHFFFAOYSA-N 1 1 433.516 1.959 50 0 IDAAMO CC[NH+]1CCN(Cc2ccc(NS(=O)(=O)c3cc4n(c3)CCCN(C)C4=O)cc2)CC1 ZINC000065258750 569124593 /nfs/dbraw/zinc/12/45/93/569124593.db2.gz WTJKIOUXUVEEEU-UHFFFAOYSA-N 1 1 445.589 1.902 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)CC1 ZINC000065273803 569128246 /nfs/dbraw/zinc/12/82/46/569128246.db2.gz HQJVNPREKRZQEY-KRWDZBQOSA-N 1 1 433.622 1.717 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C(C)C)CC4)sc3C2)CC1 ZINC000065273802 569128254 /nfs/dbraw/zinc/12/82/54/569128254.db2.gz HQJVNPREKRZQEY-QGZVFWFLSA-N 1 1 433.622 1.717 50 0 IDAAMO CC[N@H+](CCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591768 569140959 /nfs/dbraw/zinc/14/09/59/569140959.db2.gz CKUJFLKQVIRCOB-FUHWJXTLSA-N 1 1 443.548 1.196 50 0 IDAAMO CC[N@@H+](CCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000170591768 569140961 /nfs/dbraw/zinc/14/09/61/569140961.db2.gz CKUJFLKQVIRCOB-FUHWJXTLSA-N 1 1 443.548 1.196 50 0 IDAAMO c1cnc(N2CC[NH+](CCCNc3nc4ccccc4nc3N3CCOCC3)CC2)nc1 ZINC000089873309 569166583 /nfs/dbraw/zinc/16/65/83/569166583.db2.gz SHIOLHGSQBMDQP-UHFFFAOYSA-N 1 1 434.548 1.881 50 0 IDAAMO O=C(C[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000252538962 569190170 /nfs/dbraw/zinc/19/01/70/569190170.db2.gz NNDYSYXMCQSYAF-HXUWFJFHSA-N 1 1 439.491 1.623 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000252695385 569211106 /nfs/dbraw/zinc/21/11/06/569211106.db2.gz ZDZLHYCCYICKBX-SPDRLTDRSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO CC(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000013351902 569313295 /nfs/dbraw/zinc/31/32/95/569313295.db2.gz ORQVMDGWTMMNAB-UHFFFAOYSA-N 1 1 444.576 1.972 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2cccc(C)c2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000019201002 569316483 /nfs/dbraw/zinc/31/64/83/569316483.db2.gz LQNUSMXTZZUGCX-UHFFFAOYSA-N 1 1 436.516 1.147 50 0 IDAAMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000078869752 569319569 /nfs/dbraw/zinc/31/95/69/569319569.db2.gz WEDOYSWSBAYALK-KRWDZBQOSA-N 1 1 433.578 1.642 50 0 IDAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1 ZINC000079045813 569323049 /nfs/dbraw/zinc/32/30/49/569323049.db2.gz IBTNRIZEGJDDLD-SJORKVTESA-N 1 1 425.551 1.654 50 0 IDAAMO COc1ccc(CNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000020287688 569359313 /nfs/dbraw/zinc/35/93/13/569359313.db2.gz WNDHZNNGXGSQGJ-UZLBHIALSA-N 1 1 430.574 1.866 50 0 IDAAMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)CC1CC1 ZINC000095457698 569369073 /nfs/dbraw/zinc/36/90/73/569369073.db2.gz BWKLGOIUCAECRP-UHFFFAOYSA-N 1 1 429.608 1.857 50 0 IDAAMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000095459715 569369514 /nfs/dbraw/zinc/36/95/14/569369514.db2.gz LVIHGPVJYXIAIX-IYBDPMFKSA-N 1 1 439.503 1.811 50 0 IDAAMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000095459715 569369515 /nfs/dbraw/zinc/36/95/15/569369515.db2.gz LVIHGPVJYXIAIX-IYBDPMFKSA-N 1 1 439.503 1.811 50 0 IDAAMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000095464877 569370543 /nfs/dbraw/zinc/37/05/43/569370543.db2.gz IPEIHWBCFPQXOF-IEBWSBKVSA-N 1 1 430.549 1.437 50 0 IDAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)cc2)CC1 ZINC000095991538 569378181 /nfs/dbraw/zinc/37/81/81/569378181.db2.gz UKIFSLDBHWQVGS-UHFFFAOYSA-N 1 1 446.511 1.888 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000021530967 569388023 /nfs/dbraw/zinc/38/80/23/569388023.db2.gz JZVHDEAURCVOLW-KSFYIVLOSA-N 1 1 432.569 1.104 50 0 IDAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000334159479 569402176 /nfs/dbraw/zinc/40/21/76/569402176.db2.gz CSOJIBDUSPFKHQ-RLLQIKCJSA-N 1 1 428.533 1.886 50 0 IDAAMO Cn1c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952593 569428650 /nfs/dbraw/zinc/42/86/50/569428650.db2.gz GYLWYGGMIAUBHC-UHFFFAOYSA-N 1 1 448.502 1.933 50 0 IDAAMO O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670448008 569455331 /nfs/dbraw/zinc/45/53/31/569455331.db2.gz ZSABSQOYYRRISY-GXJVVJEWSA-N 1 1 428.536 1.685 50 0 IDAAMO Cc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)CC2=O)c(F)c1 ZINC000032334348 569461377 /nfs/dbraw/zinc/46/13/77/569461377.db2.gz DLAHRLHXJFTRDN-GOSISDBHSA-N 1 1 440.523 1.606 50 0 IDAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000059488011 569461647 /nfs/dbraw/zinc/46/16/47/569461647.db2.gz VDTPQSMPHAKDCF-YRMIPTGESA-N 1 1 429.448 1.988 50 0 biogenic IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272314 569461694 /nfs/dbraw/zinc/46/16/94/569461694.db2.gz NPZKXLBZMSFXQD-KRWDZBQOSA-N 1 1 426.517 1.283 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225997 569465187 /nfs/dbraw/zinc/46/51/87/569465187.db2.gz KFRNUMLAORXJIA-QGZVFWFLSA-N 1 1 438.557 1.799 50 0 IDAAMO O=c1c2cnc(N3CCN(c4ccccc4)CC3)nc2ccn1CCC[NH+]1CCOCC1 ZINC000039383811 569481586 /nfs/dbraw/zinc/48/15/86/569481586.db2.gz YJHKFUJGZLZYEE-UHFFFAOYSA-N 1 1 434.544 1.840 50 0 IDAAMO Cn1cc(S(=O)(=O)N(CC[NH+](C)C)c2cccc(Br)c2)cc1C(N)=O ZINC000040158386 569494615 /nfs/dbraw/zinc/49/46/15/569494615.db2.gz OOCCQWZNVJDSHK-UHFFFAOYSA-N 1 1 429.340 1.643 50 0 IDAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@@H](C)O1 ZINC000040142423 569491879 /nfs/dbraw/zinc/49/18/79/569491879.db2.gz ISANZPJVBRNCNT-HUUCEWRRSA-N 1 1 437.500 1.161 50 0 IDAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149566 569492570 /nfs/dbraw/zinc/49/25/70/569492570.db2.gz SKDWMJANEMIUMJ-AWEZNQCLSA-N 1 1 425.445 1.809 50 0 IDAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000040149566 569492571 /nfs/dbraw/zinc/49/25/71/569492571.db2.gz SKDWMJANEMIUMJ-AWEZNQCLSA-N 1 1 425.445 1.809 50 0 IDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245276309 569501880 /nfs/dbraw/zinc/50/18/80/569501880.db2.gz SHOAIAUCXSOOOZ-OTWHNJEPSA-N 1 1 430.615 1.045 50 0 IDAAMO CN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009508848 569542392 /nfs/dbraw/zinc/54/23/92/569542392.db2.gz XYGUFJWHOFUHPC-UHFFFAOYSA-N 1 1 425.464 1.401 50 0 IDAAMO CN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009508848 569542393 /nfs/dbraw/zinc/54/23/93/569542393.db2.gz XYGUFJWHOFUHPC-UHFFFAOYSA-N 1 1 425.464 1.401 50 0 IDAAMO CCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000009602920 569551725 /nfs/dbraw/zinc/55/17/25/569551725.db2.gz KXTCPFZUAXHJSG-GOSISDBHSA-N 1 1 443.548 1.518 50 0 IDAAMO O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009982968 569576577 /nfs/dbraw/zinc/57/65/77/569576577.db2.gz VSQNZZDZJCCCON-LOXVZWDBSA-N 1 1 446.592 1.742 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cc[nH+]c4C)nn3)CC2)cc1OC ZINC000077197073 569586145 /nfs/dbraw/zinc/58/61/45/569586145.db2.gz NQDYYUNOOKPBIA-UHFFFAOYSA-N 1 1 444.517 1.499 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046140965 569586954 /nfs/dbraw/zinc/58/69/54/569586954.db2.gz JSEXHHRHTIPKFV-IBGZPJMESA-N 1 1 443.013 1.502 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046140964 569586982 /nfs/dbraw/zinc/58/69/82/569586982.db2.gz JSEXHHRHTIPKFV-LJQANCHMSA-N 1 1 443.013 1.502 50 0 IDAAMO CCOC(=O)CNC(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000022807543 520781342 /nfs/dbraw/zinc/78/13/42/520781342.db2.gz WTZRKZDYBBGJAH-UHFFFAOYSA-N 1 1 443.500 1.016 50 0 IDAAMO CCOC(=O)c1ccc(-n2nnnc2[C@](C)(CN2C(=O)c3ccccc3C2=O)[NH2+]C)cc1 ZINC000012411122 521461892 /nfs/dbraw/zinc/46/18/92/521461892.db2.gz OKGNETCPZUNFFS-QFIPXVFZSA-N 1 1 434.456 1.570 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4ccncc4)CC3)C2=O)cc1 ZINC000022852047 521481728 /nfs/dbraw/zinc/48/17/28/521481728.db2.gz FRZYLQAAEFSJLU-NRFANRHFSA-N 1 1 436.512 1.751 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682820 521680441 /nfs/dbraw/zinc/68/04/41/521680441.db2.gz FXDQPFGHMHSQRA-JOCHJYFZSA-N 1 1 438.576 1.547 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(Cl)cc4)c(=O)c3s2)CC1 ZINC000021886472 521700662 /nfs/dbraw/zinc/70/06/62/521700662.db2.gz SADXKWGXGXRZEB-UHFFFAOYSA-N 1 1 446.964 1.965 50 0 IDAAMO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000020614677 521774764 /nfs/dbraw/zinc/77/47/64/521774764.db2.gz MHANYSSOWPLQDM-INIZCTEOSA-N 1 1 427.523 1.196 50 0 IDAAMO COc1cc(C[NH2+]CCSc2nnc(C)[nH]2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012716445 522452574 /nfs/dbraw/zinc/45/25/74/522452574.db2.gz MVWLARKUDLOFHH-KRWDZBQOSA-N 1 1 437.566 1.076 50 0 IDAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCn3nc(C)cc3C)cc2)CC1 ZINC000012579715 522916740 /nfs/dbraw/zinc/91/67/40/522916740.db2.gz QITFCHMIBVEVPQ-JOCHJYFZSA-N 1 1 444.576 1.914 50 0 IDAAMO COc1cc2oc(=O)c(CC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)c(C)c2cc1Cl ZINC000020623470 523069944 /nfs/dbraw/zinc/06/99/44/523069944.db2.gz YUORSQZEYSOIOS-UHFFFAOYSA-N 1 1 435.908 1.538 50 0 IDAAMO COCCN(CCC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(OC)cc2)on1 ZINC000035992957 523690370 /nfs/dbraw/zinc/69/03/70/523690370.db2.gz QEOMBSQTJKHYMQ-UHFFFAOYSA-N 1 1 430.505 1.603 50 0 IDAAMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)N2CCn3c4ccccc4nc32)CC1 ZINC000020573586 523879113 /nfs/dbraw/zinc/87/91/13/523879113.db2.gz SDTDVCROTUNWEX-FQEVSTJZSA-N 1 1 432.528 1.951 50 0 IDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccccn2)CC1 ZINC000012557908 523928288 /nfs/dbraw/zinc/92/82/88/523928288.db2.gz AIQXGGVHKRGXBQ-UHFFFAOYSA-N 1 1 445.545 1.107 50 0 IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000020610777 524445715 /nfs/dbraw/zinc/44/57/15/524445715.db2.gz DUCJOSYWMDPMOJ-BQJJVBGXSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c1 ZINC000020451286 524827865 /nfs/dbraw/zinc/82/78/65/524827865.db2.gz AGASZOGLHLHVPS-UHFFFAOYSA-N 1 1 436.516 1.721 50 0 IDAAMO Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000020765876 525566675 /nfs/dbraw/zinc/56/66/75/525566675.db2.gz ORPBZUNXBMSFHU-UHFFFAOYSA-N 1 1 437.606 1.918 50 0 IDAAMO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCC[N@@H+](C)CC2)nn1 ZINC000012450431 525941443 /nfs/dbraw/zinc/94/14/43/525941443.db2.gz YLDRVWHYKWTFJB-OAHLLOKOSA-N 1 1 434.928 1.293 50 0 IDAAMO Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)s1 ZINC000012612073 526384518 /nfs/dbraw/zinc/38/45/18/526384518.db2.gz POSXEASXOJAEBG-QGZVFWFLSA-N 1 1 433.603 1.878 50 0 IDAAMO Cc1nnc(SCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)s1 ZINC000012612073 526384523 /nfs/dbraw/zinc/38/45/23/526384523.db2.gz POSXEASXOJAEBG-QGZVFWFLSA-N 1 1 433.603 1.878 50 0 IDAAMO O=C(CC[NH+]1CCN(C(=O)CN2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022277929 526486484 /nfs/dbraw/zinc/48/64/84/526486484.db2.gz OJFBYKFRBJHQOI-UHFFFAOYSA-N 1 1 429.348 1.798 50 0 IDAAMO c1ccc([C@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)nc1 ZINC000020567796 526500647 /nfs/dbraw/zinc/50/06/47/526500647.db2.gz FVOLKPQFOHSUDI-NRFANRHFSA-N 1 1 432.532 1.697 50 0 IDAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NC[C@H]1CCCO1 ZINC000022807581 527002457 /nfs/dbraw/zinc/00/24/57/527002457.db2.gz OASPQPUCNUZCFS-HXUWFJFHSA-N 1 1 441.528 1.632 50 0 IDAAMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012588313 527202151 /nfs/dbraw/zinc/20/21/51/527202151.db2.gz XTNISCNSZXORQM-SFHVURJKSA-N 1 1 426.517 1.929 50 0 IDAAMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012532941 527314624 /nfs/dbraw/zinc/31/46/24/527314624.db2.gz FLVOKCBEQCUJRT-GOSISDBHSA-N 1 1 444.557 1.175 50 0 IDAAMO Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCC[NH+]1CCOCC1)C(=O)CS2 ZINC000020992080 527554040 /nfs/dbraw/zinc/55/40/40/527554040.db2.gz WJRAGVNPOKYQKJ-UHFFFAOYSA-N 1 1 429.546 1.458 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000035893761 527671246 /nfs/dbraw/zinc/67/12/46/527671246.db2.gz HEJOCFWGJPBAMR-IRLDBZIGSA-N 1 1 436.560 1.183 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@@H]13)O2 ZINC000035485426 527672416 /nfs/dbraw/zinc/67/24/16/527672416.db2.gz ZBDPUCXJZDSDJN-VQQMMKBISA-N 1 1 431.920 1.465 50 0 IDAAMO C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)CN(C(=O)COc2ccccc2)CC3)CC1 ZINC000034676702 555794733 /nfs/dbraw/zinc/79/47/33/555794733.db2.gz BXILTPGLEHFEFF-UHFFFAOYSA-N 1 1 436.560 1.792 50 0 IDAAMO CCCCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000002965272 555868372 /nfs/dbraw/zinc/86/83/72/555868372.db2.gz AUQXLBMZOQJORG-IBGZPJMESA-N 1 1 431.514 1.935 50 0 IDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@H](OCc2ccncc2)C1 ZINC000014542325 556082829 /nfs/dbraw/zinc/08/28/29/556082829.db2.gz SCFNHEYYWHYDJK-VQTJNVASSA-N 1 1 446.548 1.075 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000011997294 556384590 /nfs/dbraw/zinc/38/45/90/556384590.db2.gz VQUNYEPMXJEMPF-LJQANCHMSA-N 1 1 437.566 1.600 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000011997294 556384592 /nfs/dbraw/zinc/38/45/92/556384592.db2.gz VQUNYEPMXJEMPF-LJQANCHMSA-N 1 1 437.566 1.600 50 0 IDAAMO COC(=O)C1CCN(Cc2ccc(OC[C@H](O)C[NH+]3CCSCC3)c(OC)c2)CC1 ZINC000012075229 556397148 /nfs/dbraw/zinc/39/71/48/556397148.db2.gz SVBRCWDIBUBLDM-LJQANCHMSA-N 1 1 438.590 1.869 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000032863570 556448617 /nfs/dbraw/zinc/44/86/17/556448617.db2.gz LXFAXVNHTOJHOG-SFHVURJKSA-N 1 1 442.557 1.198 50 0 IDAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CC1 ZINC000029218751 556470243 /nfs/dbraw/zinc/47/02/43/556470243.db2.gz ICKISPGEBGOSIQ-UHFFFAOYSA-N 1 1 436.862 1.627 50 0 IDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000013118030 556471067 /nfs/dbraw/zinc/47/10/67/556471067.db2.gz DIVFGELCRRIUFC-OAHLLOKOSA-N 1 1 431.566 1.935 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](Cc1ccccc1)CC2 ZINC000014990723 556474730 /nfs/dbraw/zinc/47/47/30/556474730.db2.gz MVCXRYONEMEFDN-UHFFFAOYSA-N 1 1 435.528 1.932 50 0 IDAAMO Cc1nc(S(=O)(=O)N2CCC(C(=O)NCCCNc3ccc(C)c[nH+]3)CC2)cn1C ZINC000072290018 556487036 /nfs/dbraw/zinc/48/70/36/556487036.db2.gz XKPGRZKXXIRLJM-UHFFFAOYSA-N 1 1 434.566 1.451 50 0 IDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1OC ZINC000015068204 556494084 /nfs/dbraw/zinc/49/40/84/556494084.db2.gz LJXBPNYBYMJVJH-SFHVURJKSA-N 1 1 437.566 1.600 50 0 IDAAMO CCn1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013624956 556536765 /nfs/dbraw/zinc/53/67/65/556536765.db2.gz JBGHLRFROAFSFN-GJZGRUSLSA-N 1 1 442.516 1.469 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)c1 ZINC000072308582 556565200 /nfs/dbraw/zinc/56/52/00/556565200.db2.gz ZCANZIOZYPFREY-UHFFFAOYSA-N 1 1 426.539 1.052 50 0 IDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016010079 556573868 /nfs/dbraw/zinc/57/38/68/556573868.db2.gz PSLFARPWFHKJMQ-PPSDVSMJSA-N 1 1 444.919 1.577 50 0 IDAAMO NC(=O)C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000016013085 556574434 /nfs/dbraw/zinc/57/44/34/556574434.db2.gz HJZSLJCUWMONSV-XNGFIGEISA-N 1 1 438.871 1.136 50 0 IDAAMO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000017889361 556680205 /nfs/dbraw/zinc/68/02/05/556680205.db2.gz MXWLKACSKXUUQK-HXUWFJFHSA-N 1 1 434.496 1.756 50 0 IDAAMO COc1ccc(C(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140868 556691723 /nfs/dbraw/zinc/69/17/23/556691723.db2.gz VKEREHDPVXAGPZ-UHFFFAOYSA-N 1 1 431.558 1.615 50 0 biogenic IDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F ZINC000046141052 556692098 /nfs/dbraw/zinc/69/20/98/556692098.db2.gz WBCMUAINCWLZQX-GOSISDBHSA-N 1 1 440.585 1.377 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000019200998 556707894 /nfs/dbraw/zinc/70/78/94/556707894.db2.gz UEDIUSAOOFPAGA-UHFFFAOYSA-N 1 1 436.516 1.147 50 0 IDAAMO O=C1c2cccc(OCc3ccc(C[NH+]4CCOCC4)cc3)c2CN1[C@H]1CCC(=O)NC1=O ZINC000118417658 556745480 /nfs/dbraw/zinc/74/54/80/556745480.db2.gz IXZOHGPZAQLIBH-NRFANRHFSA-N 1 1 449.507 1.859 50 0 investigational IDAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997348 556751753 /nfs/dbraw/zinc/75/17/53/556751753.db2.gz SFWOGLMCWSADDS-QUCCMNQESA-N 1 1 427.505 1.150 50 0 IDAAMO O=C(NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058368731 556783407 /nfs/dbraw/zinc/78/34/07/556783407.db2.gz FQMXHYUZQHTDNC-FQEVSTJZSA-N 1 1 440.548 1.067 50 0 IDAAMO O=C(c1cc(COc2ccc(-n3cncn3)cc2)on1)N1CCC([NH+]2CCOCC2)CC1 ZINC000019607727 556831442 /nfs/dbraw/zinc/83/14/42/556831442.db2.gz KZUVEGCHFIMKNK-UHFFFAOYSA-N 1 1 438.488 1.771 50 0 IDAAMO CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)[nH+]c(N(C)C)n1 ZINC000096558319 556833733 /nfs/dbraw/zinc/83/37/33/556833733.db2.gz WBFOOFKRQHELQW-UHFFFAOYSA-N 1 1 428.324 1.918 50 0 IDAAMO CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)[nH+]1 ZINC000096558319 556833737 /nfs/dbraw/zinc/83/37/37/556833737.db2.gz WBFOOFKRQHELQW-UHFFFAOYSA-N 1 1 428.324 1.918 50 0 IDAAMO CN(c1cccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1)S(C)(=O)=O ZINC000065362685 556834590 /nfs/dbraw/zinc/83/45/90/556834590.db2.gz OLGPSZZPTDVIGD-UHFFFAOYSA-N 1 1 430.530 1.722 50 0 IDAAMO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1 ZINC000072115956 556897762 /nfs/dbraw/zinc/89/77/62/556897762.db2.gz AIXJVCYOXLCSLM-UHFFFAOYSA-N 1 1 430.578 1.302 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019836341 556927979 /nfs/dbraw/zinc/92/79/79/556927979.db2.gz JMLFECXMVYSTNE-SFHVURJKSA-N 1 1 429.521 1.191 50 0 IDAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1cccc(OCCO)c1)CC2)c1ccoc1 ZINC000019883991 556937984 /nfs/dbraw/zinc/93/79/84/556937984.db2.gz STLJYGYJYGNWBP-UHFFFAOYSA-N 1 1 425.489 1.273 50 0 IDAAMO CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000019928916 556946846 /nfs/dbraw/zinc/94/68/46/556946846.db2.gz AQELIBDQZOPTDG-UHFFFAOYSA-N 1 1 441.619 1.648 50 0 IDAAMO O=C(CCCN1CCCC1=O)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020109901 556984796 /nfs/dbraw/zinc/98/47/96/556984796.db2.gz CJVNJVREETWIAN-NHCUHLMSSA-N 1 1 432.540 1.312 50 0 IDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCCOc2ccccc2Br)CC1 ZINC000023109579 557004176 /nfs/dbraw/zinc/00/41/76/557004176.db2.gz HYSKOQPBTMNYKH-OAHLLOKOSA-N 1 1 431.327 1.980 50 0 IDAAMO COc1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(OC)cc3)CC2)cc1 ZINC000022921213 557047306 /nfs/dbraw/zinc/04/73/06/557047306.db2.gz AAUPHOUSNSWUKE-BGYRXZFFSA-N 1 1 446.544 1.501 50 0 IDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(OC)cc3)CC2)cc1 ZINC000022921213 557047307 /nfs/dbraw/zinc/04/73/07/557047307.db2.gz AAUPHOUSNSWUKE-BGYRXZFFSA-N 1 1 446.544 1.501 50 0 IDAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022931832 557050619 /nfs/dbraw/zinc/05/06/19/557050619.db2.gz SKKLGVGWCIZQQL-IBGZPJMESA-N 1 1 445.608 1.669 50 0 IDAAMO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022931832 557050623 /nfs/dbraw/zinc/05/06/23/557050623.db2.gz SKKLGVGWCIZQQL-IBGZPJMESA-N 1 1 445.608 1.669 50 0 IDAAMO O=C(CN1CCN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1)N1CCCCCC1 ZINC000022977213 557055317 /nfs/dbraw/zinc/05/53/17/557055317.db2.gz FDIJLKDGZZWAMK-UHFFFAOYSA-N 1 1 442.612 1.597 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000048291095 557055672 /nfs/dbraw/zinc/05/56/72/557055672.db2.gz FJCOHBOMEGKKDV-FQEVSTJZSA-N 1 1 446.573 1.394 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000048291095 557055680 /nfs/dbraw/zinc/05/56/80/557055680.db2.gz FJCOHBOMEGKKDV-FQEVSTJZSA-N 1 1 446.573 1.394 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@@H+]1C ZINC000023129571 557066369 /nfs/dbraw/zinc/06/63/69/557066369.db2.gz DLOLNVACXGYWQT-BXKMTCNYSA-N 1 1 438.503 1.970 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@H+]1C ZINC000023129571 557066374 /nfs/dbraw/zinc/06/63/74/557066374.db2.gz DLOLNVACXGYWQT-BXKMTCNYSA-N 1 1 438.503 1.970 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@H+](Cc1sccc1C)CC2 ZINC000023129420 557066430 /nfs/dbraw/zinc/06/64/30/557066430.db2.gz VZPZZBJFPRNKCP-MRXNPFEDSA-N 1 1 431.558 1.882 50 0 IDAAMO CCCCn1c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cnc1S(=O)(=O)CC ZINC000023340558 557086046 /nfs/dbraw/zinc/08/60/46/557086046.db2.gz PQQVGRLCVHMKPV-UHFFFAOYSA-N 1 1 439.626 1.783 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000023805080 557116845 /nfs/dbraw/zinc/11/68/45/557116845.db2.gz FKJQYEWLBUXRJE-OAQYLSRUSA-N 1 1 425.485 1.917 50 0 IDAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000024678216 557123172 /nfs/dbraw/zinc/12/31/72/557123172.db2.gz AZIMOXGQKVMVFB-GOSISDBHSA-N 1 1 431.581 1.130 50 0 IDAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000024678216 557123175 /nfs/dbraw/zinc/12/31/75/557123175.db2.gz AZIMOXGQKVMVFB-GOSISDBHSA-N 1 1 431.581 1.130 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000024607566 557153689 /nfs/dbraw/zinc/15/36/89/557153689.db2.gz COBKKWVHOBAAAL-UHFFFAOYSA-N 1 1 443.997 1.720 50 0 IDAAMO COC(=O)[C@H](C[NH+]1CCN(c2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927244 557180167 /nfs/dbraw/zinc/18/01/67/557180167.db2.gz IRRDDUWDHNSBTL-LPHOPBHVSA-N 1 1 426.439 1.781 50 0 IDAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024987908 557186838 /nfs/dbraw/zinc/18/68/38/557186838.db2.gz SGVGFHVWWJFVDV-NRFANRHFSA-N 1 1 447.601 1.165 50 0 IDAAMO CSCCc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000072235869 557200538 /nfs/dbraw/zinc/20/05/38/557200538.db2.gz RSYHZPQWPGQXPU-IBGZPJMESA-N 1 1 434.606 1.301 50 0 IDAAMO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000222256155 557334956 /nfs/dbraw/zinc/33/49/56/557334956.db2.gz XQXIDAKSCBEZAG-XLSPSMHOSA-N 1 1 439.578 1.198 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352037 557350455 /nfs/dbraw/zinc/35/04/55/557350455.db2.gz RSOYBLPYTIHWMG-NRFANRHFSA-N 1 1 444.601 1.747 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352037 557350460 /nfs/dbraw/zinc/35/04/60/557350460.db2.gz RSOYBLPYTIHWMG-NRFANRHFSA-N 1 1 444.601 1.747 50 0 IDAAMO C[C@@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014675871 557449229 /nfs/dbraw/zinc/44/92/29/557449229.db2.gz LHFLFMOKNBVBDT-GOSISDBHSA-N 1 1 449.507 1.949 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381087 557497327 /nfs/dbraw/zinc/49/73/27/557497327.db2.gz TYWOLZGGOZTIIF-MPHKBZTNSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000107075933 557534581 /nfs/dbraw/zinc/53/45/81/557534581.db2.gz ILLGNPXGINGWKR-XHSDSOJGSA-N 1 1 429.608 1.772 50 0 IDAAMO O=C(CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(F)c(F)c1)N1CCNCC1 ZINC000045945217 557554050 /nfs/dbraw/zinc/55/40/50/557554050.db2.gz WPPQVRIJFXGVEO-UHFFFAOYSA-N 1 1 444.548 1.263 50 0 IDAAMO CCN1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974510 557556303 /nfs/dbraw/zinc/55/63/03/557556303.db2.gz TZGXHFOYZOAPMS-FQEVSTJZSA-N 1 1 436.622 1.717 50 0 IDAAMO COCCn1cc([C@@H]2[C@H](C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000225456982 557725041 /nfs/dbraw/zinc/72/50/41/557725041.db2.gz CXZFREUDMVKACZ-FBBABVLZSA-N 1 1 449.596 1.302 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(C[C@@H](O)COc4cccc(C)c4)c(=O)c3s2)CC1 ZINC000225660328 557758596 /nfs/dbraw/zinc/75/85/96/557758596.db2.gz RVPBORNSBRAGJG-MRXNPFEDSA-N 1 1 429.546 1.743 50 0 IDAAMO O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000242273822 557847578 /nfs/dbraw/zinc/84/75/78/557847578.db2.gz YGBWMRAGSSPGIA-KRWDZBQOSA-N 1 1 427.954 1.426 50 0 IDAAMO CCOC(=O)c1cccc(NC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)c1 ZINC000015943328 563019965 /nfs/dbraw/zinc/01/99/65/563019965.db2.gz WQLZLFQOZRGARF-UHFFFAOYSA-N 1 1 437.504 1.624 50 0 IDAAMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000028630290 563059778 /nfs/dbraw/zinc/05/97/78/563059778.db2.gz DGQRZLKOGKIMFI-SFHVURJKSA-N 1 1 436.512 1.007 50 0 IDAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263617518 568777267 /nfs/dbraw/zinc/77/72/67/568777267.db2.gz OEDCDBRDPDDVKH-IBGZPJMESA-N 1 1 429.477 1.411 50 0 IDAAMO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000084286941 568796702 /nfs/dbraw/zinc/79/67/02/568796702.db2.gz ZPFPBGQXNMGQOF-PBHICJAKSA-N 1 1 439.482 1.674 50 0 IDAAMO O=C(CC[N@H+]1CC[C@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000084405206 568797765 /nfs/dbraw/zinc/79/77/65/568797765.db2.gz MFZUDWACRXNDDO-QFIPXVFZSA-N 1 1 434.556 1.288 50 0 IDAAMO Cn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)ccc21 ZINC000015784387 568827452 /nfs/dbraw/zinc/82/74/52/568827452.db2.gz ZBCIJOYWSRWIQT-IBGZPJMESA-N 1 1 448.589 1.418 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000015785269 568829602 /nfs/dbraw/zinc/82/96/02/568829602.db2.gz OLVARUOWKBAVOM-IBGZPJMESA-N 1 1 434.562 1.385 50 0 IDAAMO Cc1nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015838328 568844218 /nfs/dbraw/zinc/84/42/18/568844218.db2.gz GIQSNMRYALNRIW-UHFFFAOYSA-N 1 1 435.484 1.690 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969312 568861544 /nfs/dbraw/zinc/86/15/44/568861544.db2.gz SEVGYGLCWSWWEZ-UJAPCULTSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026189 568864508 /nfs/dbraw/zinc/86/45/08/568864508.db2.gz NOQMWPSDBROJAC-DOGKRZLPSA-N 1 1 432.480 1.099 50 0 biogenic IDAAMO Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000013003171 568898551 /nfs/dbraw/zinc/89/85/51/568898551.db2.gz FLOQBTLTSTYFDN-FQEVSTJZSA-N 1 1 430.574 1.817 50 0 IDAAMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000239760872 568911654 /nfs/dbraw/zinc/91/16/54/568911654.db2.gz CIFQGUKLIULJCB-UXHICEINSA-N 1 1 434.606 1.387 50 0 IDAAMO CC[N@H+](CCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762095 568911681 /nfs/dbraw/zinc/91/16/81/568911681.db2.gz CKUJFLKQVIRCOB-AEFFLSMTSA-N 1 1 443.548 1.608 50 0 IDAAMO CC[N@@H+](CCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762095 568911684 /nfs/dbraw/zinc/91/16/84/568911684.db2.gz CKUJFLKQVIRCOB-AEFFLSMTSA-N 1 1 443.548 1.608 50 0 IDAAMO CC[N@H+](CCC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762098 568911689 /nfs/dbraw/zinc/91/16/89/568911689.db2.gz CKUJFLKQVIRCOB-WMZOPIPTSA-N 1 1 443.548 1.608 50 0 IDAAMO CC[N@@H+](CCC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000239762098 568911692 /nfs/dbraw/zinc/91/16/92/568911692.db2.gz CKUJFLKQVIRCOB-WMZOPIPTSA-N 1 1 443.548 1.608 50 0 IDAAMO C[C@@H](c1ccccc1)n1c(=O)c(C(=O)N2CC[NH+](C)CC2)nn(-c2ccccc2F)c1=O ZINC000036085411 568947872 /nfs/dbraw/zinc/94/78/72/568947872.db2.gz KVBVHSGFCIQSGM-INIZCTEOSA-N 1 1 437.475 1.530 50 0 IDAAMO COc1cc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)cc(OC)c1OC ZINC000064836198 568969080 /nfs/dbraw/zinc/96/90/80/568969080.db2.gz GLHRDUKUCXYVBX-UHFFFAOYSA-N 1 1 427.461 1.299 50 0 IDAAMO Cc1cccc(CN2CCCn3nc(C(=O)NCCC[NH+]4CCN(C)CC4)cc3C2=O)c1 ZINC000064959752 569000040 /nfs/dbraw/zinc/00/00/40/569000040.db2.gz OIEKMKMMIRBWOD-UHFFFAOYSA-N 1 1 438.576 1.605 50 0 IDAAMO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025317 569090529 /nfs/dbraw/zinc/09/05/29/569090529.db2.gz GLUUVWHXNPPLRC-HNNXBMFYSA-N 1 1 447.561 1.829 50 0 IDAAMO CCc1noc2nc(CCC(=O)NCCC[NH+]3CCN(C)CC3)nc(N3CCCCC3)c12 ZINC000065056864 569094903 /nfs/dbraw/zinc/09/49/03/569094903.db2.gz CZFMDBQLVGCXRV-UHFFFAOYSA-N 1 1 443.596 1.857 50 0 IDAAMO Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@H+](C)CC3)c2=O)cc1 ZINC000065212516 569116795 /nfs/dbraw/zinc/11/67/95/569116795.db2.gz DNKMNSMQVNIQEH-UHFFFAOYSA-N 1 1 432.546 1.430 50 0 IDAAMO C=C1C(N2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)=NS(=O)(=O)C1c1ccccc1 ZINC000065239363 569120335 /nfs/dbraw/zinc/12/03/35/569120335.db2.gz YCQBGECEKALTKP-UHFFFAOYSA-N 1 1 427.530 1.899 50 0 IDAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCC[N@@H+](C)CC4)c3)nc2)C1 ZINC000065254366 569122674 /nfs/dbraw/zinc/12/26/74/569122674.db2.gz CPDDLDLOHHVKQY-KRWDZBQOSA-N 1 1 446.577 1.466 50 0 IDAAMO Cc1ccc(NC(=O)C[N@H+]2CCSCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616722 569146758 /nfs/dbraw/zinc/14/67/58/569146758.db2.gz WBRGUSSYLNEAND-INIZCTEOSA-N 1 1 427.592 1.782 50 0 IDAAMO Cc1ccc(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616722 569146760 /nfs/dbraw/zinc/14/67/60/569146760.db2.gz WBRGUSSYLNEAND-INIZCTEOSA-N 1 1 427.592 1.782 50 0 IDAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000089885229 569166506 /nfs/dbraw/zinc/16/65/06/569166506.db2.gz VKIGSKKCQUVEQZ-UHFFFAOYSA-N 1 1 436.578 1.288 50 0 IDAAMO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1 ZINC000089959032 569168915 /nfs/dbraw/zinc/16/89/15/569168915.db2.gz FQSYFZFTXWMVCX-UHFFFAOYSA-N 1 1 431.581 1.242 50 0 IDAAMO Cn1nc2nc(N3CC[NH+](CCN4CCOCC4)CC3)nc(-c3ccccc3F)c2c1N ZINC000037358362 569176131 /nfs/dbraw/zinc/17/61/31/569176131.db2.gz DBLHKDOUHZBMSR-UHFFFAOYSA-N 1 1 440.527 1.206 50 0 IDAAMO COc1ccccc1OC[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccccc2OC)CC1 ZINC000019913294 569181060 /nfs/dbraw/zinc/18/10/60/569181060.db2.gz SBVOXBJBJCUZFP-WOJBJXKFSA-N 1 1 446.544 1.501 50 0 IDAAMO O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252527684 569189730 /nfs/dbraw/zinc/18/97/30/569189730.db2.gz DDMXRBMHNURWSL-RCCFBDPRSA-N 1 1 442.516 1.811 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252693149 569210721 /nfs/dbraw/zinc/21/07/21/569210721.db2.gz BDRXNLLNSXNAAR-KXDKRWLWSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000012034291 569256570 /nfs/dbraw/zinc/25/65/70/569256570.db2.gz RIAVJTJCEYIOMK-UHFFFAOYSA-N 1 1 439.516 1.833 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1cccn1)CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000012034291 569256572 /nfs/dbraw/zinc/25/65/72/569256572.db2.gz RIAVJTJCEYIOMK-UHFFFAOYSA-N 1 1 439.516 1.833 50 0 IDAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133541 569256640 /nfs/dbraw/zinc/25/66/40/569256640.db2.gz OCONGDYIXPAZHD-VIHDGPTJSA-N 1 1 431.533 1.849 50 0 IDAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)N3CCCC[C@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133541 569256641 /nfs/dbraw/zinc/25/66/41/569256641.db2.gz OCONGDYIXPAZHD-VIHDGPTJSA-N 1 1 431.533 1.849 50 0 IDAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198397 569257446 /nfs/dbraw/zinc/25/74/46/569257446.db2.gz LQUJOZIAJWCDRL-QGZVFWFLSA-N 1 1 444.542 1.438 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000012997779 569306172 /nfs/dbraw/zinc/30/61/72/569306172.db2.gz HVGXDBVRHSPWHM-IBGZPJMESA-N 1 1 448.633 1.424 50 0 IDAAMO O=C(CNC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(F)c(F)c1F ZINC000013096843 569309599 /nfs/dbraw/zinc/30/95/99/569309599.db2.gz OFAQUHSCLFUCCC-UHFFFAOYSA-N 1 1 440.466 1.883 50 0 IDAAMO Cn1c(C[NH+]2CCSCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079479355 569330888 /nfs/dbraw/zinc/33/08/88/569330888.db2.gz NTHJGXMTXUWXGF-UHFFFAOYSA-N 1 1 428.602 1.958 50 0 IDAAMO COc1ccccc1CNC(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287759 569359323 /nfs/dbraw/zinc/35/93/23/569359323.db2.gz TWTGTJWPBCWVED-UZLBHIALSA-N 1 1 430.574 1.866 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)CC1 ZINC000020355022 569361298 /nfs/dbraw/zinc/36/12/98/569361298.db2.gz FDJNIGBASURASR-UHFFFAOYSA-N 1 1 448.571 1.526 50 0 IDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406737 569364741 /nfs/dbraw/zinc/36/47/41/569364741.db2.gz TWYISXCDROWVAC-AZUAARDMSA-N 1 1 436.984 1.259 50 0 IDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3ccccc3OC)c2=O)CC1 ZINC000096318122 569393748 /nfs/dbraw/zinc/39/37/48/569393748.db2.gz XCVXFWXNAOSSOU-UHFFFAOYSA-N 1 1 436.512 1.634 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCN2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000230101863 569437211 /nfs/dbraw/zinc/43/72/11/569437211.db2.gz ZDNZEJQGHMQTDD-HXUWFJFHSA-N 1 1 436.622 1.600 50 0 IDAAMO COC(=O)Cn1c(=O)c(C(=O)C[NH+]2CCCCCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000003360748 569447877 /nfs/dbraw/zinc/44/78/77/569447877.db2.gz MCUNOPFGAJXBIE-UHFFFAOYSA-N 1 1 442.516 1.262 50 0 IDAAMO CC[N@@H+](Cc1ccccc1)Cc1c(N)n(Cc2ccccc2)c(=O)n(CC(=O)OC)c1=O ZINC000003376354 569448685 /nfs/dbraw/zinc/44/86/85/569448685.db2.gz ZVOVVJQMFZVYFX-UHFFFAOYSA-N 1 1 436.512 1.836 50 0 IDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(Cn2cnnn2)cc1 ZINC000670458570 569459899 /nfs/dbraw/zinc/45/98/99/569459899.db2.gz LVRUVMFYHREGQI-DJSMFCCRSA-N 1 1 429.528 1.019 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)N4CCCc5ccccc54)c(=O)c3s2)CC1 ZINC000067225865 569465191 /nfs/dbraw/zinc/46/51/91/569465191.db2.gz QIVIPCAAZJAKFK-UHFFFAOYSA-N 1 1 438.557 1.974 50 0 IDAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725075 569472110 /nfs/dbraw/zinc/47/21/10/569472110.db2.gz WHZLYZQUIREGLN-UHFFFAOYSA-N 1 1 430.896 1.831 50 0 IDAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000040142422 569491919 /nfs/dbraw/zinc/49/19/19/569491919.db2.gz ISANZPJVBRNCNT-GJZGRUSLSA-N 1 1 437.500 1.161 50 0 IDAAMO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000040149885 569492658 /nfs/dbraw/zinc/49/26/58/569492658.db2.gz VBEOOUKZSVCMBD-UHFFFAOYSA-N 1 1 443.997 1.888 50 0 IDAAMO CCn1cc(C(=O)NCCC(=O)NC[C@@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000009306190 569521288 /nfs/dbraw/zinc/52/12/88/569521288.db2.gz HTDUSXVSSHKMRR-HNNXBMFYSA-N 1 1 442.516 1.471 50 0 IDAAMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009379249 132233817 /nfs/dbraw/zinc/23/38/17/132233817.db2.gz ONDKAAJOIQQLEC-IBGZPJMESA-N 1 1 448.545 1.331 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1 ZINC000009934080 132332038 /nfs/dbraw/zinc/33/20/38/132332038.db2.gz KMUSRNPLYLYYMW-LJQANCHMSA-N 1 1 437.500 1.724 50 0 IDAAMO CC(=O)c1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000012380194 518423861 /nfs/dbraw/zinc/42/38/61/518423861.db2.gz UAQCUIFVSSXVHD-UHFFFAOYSA-N 1 1 429.542 2.000 50 0 IDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020454496 519232800 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COc1ccccc1N(C[C@@H](O)CN1CCC[N@@H+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000061721848 556730063 /nfs/dbraw/zinc/73/00/63/556730063.db2.gz UNOYEAQQXDYAGQ-IBGZPJMESA-N 1 1 433.574 1.889 50 0 IDAAMO COc1ccc(CN2CCN(CCO)CC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000019300686 556735026 /nfs/dbraw/zinc/73/50/26/556735026.db2.gz BTIYKQINZCWURQ-QHCPKHFHSA-N 1 1 443.588 1.677 50 0 IDAAMO COc1ccc(CN2CCN(CCO)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000019300686 556735031 /nfs/dbraw/zinc/73/50/31/556735031.db2.gz BTIYKQINZCWURQ-QHCPKHFHSA-N 1 1 443.588 1.677 50 0 IDAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997354 556751772 /nfs/dbraw/zinc/75/17/72/556751772.db2.gz SFWOGLMCWSADDS-ICSRJNTNSA-N 1 1 427.505 1.150 50 0 IDAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000057997350 556751810 /nfs/dbraw/zinc/75/18/10/556751810.db2.gz SFWOGLMCWSADDS-UYAOXDASSA-N 1 1 427.505 1.150 50 0 IDAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2ccccc2NC3=O)cc1 ZINC000061999544 556763984 /nfs/dbraw/zinc/76/39/84/556763984.db2.gz YVPVISMCYDZJKM-YAEBDLLGSA-N 1 1 436.468 1.503 50 0 biogenic IDAAMO Cn1c(=O)c(N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)nc2cccnc21 ZINC000033259537 556894646 /nfs/dbraw/zinc/89/46/46/556894646.db2.gz VOPMLTAOKYCLEY-FQEVSTJZSA-N 1 1 446.555 1.889 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@@H+](Cc1cccs1)CC2 ZINC000019789912 556914848 /nfs/dbraw/zinc/91/48/48/556914848.db2.gz UGFPULWPUCCQKK-UHFFFAOYSA-N 1 1 429.502 1.598 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@H+](Cc1cccs1)CC2 ZINC000019789912 556914851 /nfs/dbraw/zinc/91/48/51/556914851.db2.gz UGFPULWPUCCQKK-UHFFFAOYSA-N 1 1 429.502 1.598 50 0 IDAAMO CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019933477 556949888 /nfs/dbraw/zinc/94/98/88/556949888.db2.gz GJEWQKATBDGZTK-UHFFFAOYSA-N 1 1 425.485 1.950 50 0 IDAAMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000019991428 556957168 /nfs/dbraw/zinc/95/71/68/556957168.db2.gz IXJGMUOPNROQSY-UHFFFAOYSA-N 1 1 447.557 1.729 50 0 IDAAMO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000020103219 556980846 /nfs/dbraw/zinc/98/08/46/556980846.db2.gz BAUDZAFXQQCIAE-QFIPXVFZSA-N 1 1 449.555 1.160 50 0 IDAAMO CCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCC[NH+]4CCOCC4)C[C@@]34C=C[C@@H]2O4)cc1 ZINC000097985463 556999897 /nfs/dbraw/zinc/99/98/97/556999897.db2.gz KMYDBAJCTLKJIT-CIEVZJJWSA-N 1 1 441.528 1.528 50 0 IDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000023109650 557004203 /nfs/dbraw/zinc/00/42/03/557004203.db2.gz SSGYFJQCTPQEBK-JOCHJYFZSA-N 1 1 443.569 1.988 50 0 IDAAMO Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C ZINC000020332080 557008459 /nfs/dbraw/zinc/00/84/59/557008459.db2.gz QYMSWYNUIKWNSX-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc(C)cc1 ZINC000046140764 557042417 /nfs/dbraw/zinc/04/24/17/557042417.db2.gz HTIQZPUADPCRMU-UHFFFAOYSA-N 1 1 445.585 1.810 50 0 IDAAMO CCN1CCN(C[C@H](O)COc2ccc(CN(C)CC[NH+](CC)CC)cc2OC)CC1 ZINC000022920228 557046882 /nfs/dbraw/zinc/04/68/82/557046882.db2.gz IKIGHFYMUFITQU-QFIPXVFZSA-N 1 1 436.641 1.846 50 0 IDAAMO CNC(=O)c1nn(CN2CC[NH+](Cc3cc(C)ccc3OC)CC2)c(=O)c2ccccc21 ZINC000022932773 557050743 /nfs/dbraw/zinc/05/07/43/557050743.db2.gz BYBQSBIVDGODCG-UHFFFAOYSA-N 1 1 435.528 1.848 50 0 IDAAMO C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048302496 557063689 /nfs/dbraw/zinc/06/36/89/557063689.db2.gz KULHQTZOBFRAEZ-OCCSQVGLSA-N 1 1 437.616 1.987 50 0 IDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CC[NH+](CCOc3ccccc3)CC1)C2=O ZINC000023249053 557078302 /nfs/dbraw/zinc/07/83/02/557078302.db2.gz MOJXDLUKEVQMDT-UHFFFAOYSA-N 1 1 443.548 1.215 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1C ZINC000023337302 557084745 /nfs/dbraw/zinc/08/47/45/557084745.db2.gz XTTZXBNUSJTRSC-UHFFFAOYSA-N 1 1 436.516 1.987 50 0 IDAAMO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023477224 557094053 /nfs/dbraw/zinc/09/40/53/557094053.db2.gz QSOIVKIITBJZQW-UHFFFAOYSA-N 1 1 430.530 1.698 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000095115749 557156475 /nfs/dbraw/zinc/15/64/75/557156475.db2.gz XNXNWJFYULHZJU-QDMVCWPOSA-N 1 1 447.491 1.589 50 0 IDAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000025066729 557194279 /nfs/dbraw/zinc/19/42/79/557194279.db2.gz NRPCESUPFDAEIF-INIZCTEOSA-N 1 1 439.516 1.888 50 0 IDAAMO O=C1C[C@@H](N2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH+]3CCCCC3)C2=O)cc1 ZINC000018021982 557227363 /nfs/dbraw/zinc/22/73/63/557227363.db2.gz GEUXJOUPTCNTDK-WOJBJXKFSA-N 1 1 438.528 1.922 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2 ZINC000014535395 557339938 /nfs/dbraw/zinc/33/99/38/557339938.db2.gz YQQFDGLOMILHOJ-INIZCTEOSA-N 1 1 432.594 1.758 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105346772 557495384 /nfs/dbraw/zinc/49/53/84/557495384.db2.gz OJBPQRSSQGMMPR-MGXIVBFVSA-N 1 1 437.471 1.744 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000105345465 557495453 /nfs/dbraw/zinc/49/54/53/557495453.db2.gz PWWIMLJAYVPOBC-RFLVDRKPSA-N 1 1 443.862 1.781 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000105347263 557495471 /nfs/dbraw/zinc/49/54/71/557495471.db2.gz WOVDBFKGXHXRMP-NHRZQYMUSA-N 1 1 443.862 1.781 50 0 IDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000106014677 557512656 /nfs/dbraw/zinc/51/26/56/557512656.db2.gz RFKOLPRGCFYIKK-ONFVETCGSA-N 1 1 440.459 1.640 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+](CC)CC)cc1 ZINC000045944192 557552832 /nfs/dbraw/zinc/55/28/32/557552832.db2.gz SDTYBRUTAYQQKG-UHFFFAOYSA-N 1 1 440.610 1.240 50 0 IDAAMO C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945232 557553829 /nfs/dbraw/zinc/55/38/29/557553829.db2.gz YIUDYAQAKXDZLO-SFHVURJKSA-N 1 1 440.585 1.513 50 0 IDAAMO C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045945232 557553832 /nfs/dbraw/zinc/55/38/32/557553832.db2.gz YIUDYAQAKXDZLO-SFHVURJKSA-N 1 1 440.585 1.513 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)C1 ZINC000045945397 557553909 /nfs/dbraw/zinc/55/39/09/557553909.db2.gz CMLVZGJKMVGNKO-BGYRXZFFSA-N 1 1 436.622 1.477 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)C1 ZINC000045945397 557553913 /nfs/dbraw/zinc/55/39/13/557553913.db2.gz CMLVZGJKMVGNKO-BGYRXZFFSA-N 1 1 436.622 1.477 50 0 IDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 ZINC000225459244 557725206 /nfs/dbraw/zinc/72/52/06/557725206.db2.gz JTTBRRGIJWAMCM-YFVAEKQCSA-N 1 1 432.613 1.498 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000229984828 557834813 /nfs/dbraw/zinc/83/48/13/557834813.db2.gz SMMMDIMMLNYZRL-SJORKVTESA-N 1 1 427.892 1.461 50 0 IDAAMO Cn1c(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)cc3)cnc2n(C)c1=O ZINC000229984828 557834815 /nfs/dbraw/zinc/83/48/15/557834815.db2.gz SMMMDIMMLNYZRL-SJORKVTESA-N 1 1 427.892 1.461 50 0 IDAAMO O=S(=O)(c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1)N1CCOCC1 ZINC000003211799 562932784 /nfs/dbraw/zinc/93/27/84/562932784.db2.gz HOOCPWROUKOPRU-FQEVSTJZSA-N 1 1 432.542 1.506 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000248104303 568633885 /nfs/dbraw/zinc/63/38/85/568633885.db2.gz KSQBJQBUSNNORM-YCFYUYSTSA-N 1 1 447.491 1.589 50 0 IDAAMO COc1ccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CNC3=O)cc1 ZINC000263619094 568777807 /nfs/dbraw/zinc/77/78/07/568777807.db2.gz WVXQEWIWPKBQLX-FQEVSTJZSA-N 1 1 441.513 1.280 50 0 IDAAMO COC(=O)c1ccc2c(c1)nc(CN1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240619 568796605 /nfs/dbraw/zinc/79/66/05/568796605.db2.gz BGRXTCLYAWSEMX-HNNXBMFYSA-N 1 1 445.520 1.350 50 0 IDAAMO COC(=O)c1ccc2c(c1)nc(CN1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240619 568796607 /nfs/dbraw/zinc/79/66/07/568796607.db2.gz BGRXTCLYAWSEMX-HNNXBMFYSA-N 1 1 445.520 1.350 50 0 IDAAMO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000084286943 568796771 /nfs/dbraw/zinc/79/67/71/568796771.db2.gz ZPFPBGQXNMGQOF-YOEHRIQHSA-N 1 1 439.482 1.674 50 0 IDAAMO O=C(CC[N@H+]1CC[C@@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000084405211 568797697 /nfs/dbraw/zinc/79/76/97/568797697.db2.gz MFZUDWACRXNDDO-JOCHJYFZSA-N 1 1 434.556 1.288 50 0 IDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@H+]4CCCC[C@H]4C)nc(C)n3n2)cc1 ZINC000015772694 568822799 /nfs/dbraw/zinc/82/27/99/568822799.db2.gz ZBKNBTZTHYUNGA-MRXNPFEDSA-N 1 1 438.532 1.866 50 0 IDAAMO C[N@H+](CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000106727015 568837572 /nfs/dbraw/zinc/83/75/72/568837572.db2.gz IZDKFLKLQRHEQC-ROUUACIJSA-N 1 1 429.542 1.677 50 0 IDAAMO C[N@@H+](CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)[C@H]1CCS(=O)(=O)C1 ZINC000106727015 568837573 /nfs/dbraw/zinc/83/75/73/568837573.db2.gz IZDKFLKLQRHEQC-ROUUACIJSA-N 1 1 429.542 1.677 50 0 IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959171 568860233 /nfs/dbraw/zinc/86/02/33/568860233.db2.gz WZMLRSVHAXQUKU-CNGLCLGJSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015959890 568860478 /nfs/dbraw/zinc/86/04/78/568860478.db2.gz ZDZLHYCCYICKBX-MRUWREAYSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968077 568861212 /nfs/dbraw/zinc/86/12/12/568861212.db2.gz QYGAWXRFFNIKCQ-HOSCZWGSSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033017 568867687 /nfs/dbraw/zinc/86/76/87/568867687.db2.gz XJBNWBJVVISKKM-WKVINZIJSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000239527568 568911735 /nfs/dbraw/zinc/91/17/35/568911735.db2.gz ATCQGZNHCZIYLC-KPFFTGBYSA-N 1 1 433.574 1.893 50 0 IDAAMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000242324395 568912752 /nfs/dbraw/zinc/91/27/52/568912752.db2.gz ZAZLUWBMUHIDEM-ZCNNSNEGSA-N 1 1 426.941 1.728 50 0 IDAAMO CC(C)c1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087801 568949741 /nfs/dbraw/zinc/94/97/41/568949741.db2.gz JFGSZDGYSMZDKL-UHFFFAOYSA-N 1 1 447.539 1.954 50 0 IDAAMO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccc(OC)c2)cnc1N1CC[NH2+]CC1 ZINC000065025316 569090617 /nfs/dbraw/zinc/09/06/17/569090617.db2.gz GLUUVWHXNPPLRC-OAHLLOKOSA-N 1 1 447.561 1.829 50 0 IDAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114010 569108545 /nfs/dbraw/zinc/10/85/45/569108545.db2.gz RWRLNIPGDSXICL-MRXNPFEDSA-N 1 1 435.550 1.981 50 0 IDAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c2ncnc3N2CCN(c3ccccc3)CC2)CC1 ZINC000065295443 569131472 /nfs/dbraw/zinc/13/14/72/569131472.db2.gz BNNJJLUNJTZKPV-UHFFFAOYSA-N 1 1 434.548 1.317 50 0 IDAAMO CC(C)(C)OC(=O)NCCNC(=O)CC[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000170599945 569142655 /nfs/dbraw/zinc/14/26/55/569142655.db2.gz XLSBOMIFFKKLSU-WOJBJXKFSA-N 1 1 432.565 1.603 50 0 IDAAMO CC(C)(C)OC(=O)NCCNC(=O)CC[N@H+]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000252516864 569189209 /nfs/dbraw/zinc/18/92/09/569189209.db2.gz XLSBOMIFFKKLSU-PMACEKPBSA-N 1 1 432.565 1.603 50 0 IDAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611403 569202990 /nfs/dbraw/zinc/20/29/90/569202990.db2.gz QPZZJSRFZQBPIM-HXUWFJFHSA-N 1 1 427.501 1.977 50 0 IDAAMO COc1ccc(C(=O)N2CCO[C@H](C[N@H+]3CCCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000037611403 569202992 /nfs/dbraw/zinc/20/29/92/569202992.db2.gz QPZZJSRFZQBPIM-HXUWFJFHSA-N 1 1 427.501 1.977 50 0 IDAAMO CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)c(Cl)c2)[nH+]c(N(C)C)n1 ZINC000002306038 569271689 /nfs/dbraw/zinc/27/16/89/569271689.db2.gz MHUOMQUVENSKPQ-UHFFFAOYSA-N 1 1 428.324 1.918 50 0 IDAAMO CN(C)c1nc(NCCNC(=O)COc2ccc(Cl)c(Cl)c2)nc(N(C)C)[nH+]1 ZINC000002306038 569271691 /nfs/dbraw/zinc/27/16/91/569271691.db2.gz MHUOMQUVENSKPQ-UHFFFAOYSA-N 1 1 428.324 1.918 50 0 IDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013371511 569315063 /nfs/dbraw/zinc/31/50/63/569315063.db2.gz UDSXZUGZJVZMSR-OALUTQOASA-N 1 1 427.519 1.606 50 0 IDAAMO Cc1nc2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000078902867 569320129 /nfs/dbraw/zinc/32/01/29/569320129.db2.gz WLQBYYVOYMPEQB-GHTZIAJQSA-N 1 1 448.589 1.791 50 0 IDAAMO Cc1nc2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000078902854 569320133 /nfs/dbraw/zinc/32/01/33/569320133.db2.gz WLQBYYVOYMPEQB-NQIIRXRSSA-N 1 1 448.589 1.791 50 0 IDAAMO O=c1occ(C[NH+]2CCCCCC2)c(O)c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000079477695 569330769 /nfs/dbraw/zinc/33/07/69/569330769.db2.gz KTORYKINDMKVNF-GOSISDBHSA-N 1 1 439.578 1.026 50 0 IDAAMO COCCn1cc(C(=O)NCCC[NH+]2CCOCC2)c2c3ccccc3n(C)c2c1=O ZINC000020138798 569336118 /nfs/dbraw/zinc/33/61/18/569336118.db2.gz WTZPUHSMEWQZQQ-UHFFFAOYSA-N 1 1 426.517 1.592 50 0 IDAAMO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000020287727 569359344 /nfs/dbraw/zinc/35/93/44/569359344.db2.gz CEMMMOHRRJMDMP-UTKZUKDTSA-N 1 1 444.601 1.909 50 0 IDAAMO COc1ccc(N2C[C@H](C(=O)N3CCC([N@@H+](C)CC(=O)NC(C)C)CC3)CC2=O)cc1 ZINC000095432321 569366237 /nfs/dbraw/zinc/36/62/37/569366237.db2.gz UYKAUCDJUCDFAL-QGZVFWFLSA-N 1 1 430.549 1.496 50 0 IDAAMO Cc1cc(NC(=O)CN2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)no1 ZINC000029964992 569439876 /nfs/dbraw/zinc/43/98/76/569439876.db2.gz GCWYSQSPUDPRFZ-UHFFFAOYSA-N 1 1 441.540 1.129 50 0 IDAAMO O=C(Cn1ccc(=O)c2ccccc21)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670448009 569455450 /nfs/dbraw/zinc/45/54/50/569455450.db2.gz ZSABSQOYYRRISY-MMTWIKPJSA-N 1 1 428.536 1.685 50 0 IDAAMO O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031810683 569457683 /nfs/dbraw/zinc/45/76/83/569457683.db2.gz NLFRCMFAOAMPBL-OAQYLSRUSA-N 1 1 434.540 1.890 50 0 IDAAMO O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031811361 569457773 /nfs/dbraw/zinc/45/77/73/569457773.db2.gz CZPMHCFPELUQCA-LJQANCHMSA-N 1 1 438.503 1.639 50 0 IDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(Cn2cnnn2)cc1 ZINC000670458571 569459881 /nfs/dbraw/zinc/45/98/81/569459881.db2.gz LVRUVMFYHREGQI-HMXGKDEJSA-N 1 1 429.528 1.019 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(F)cc4)c(=O)c3s2)CC1 ZINC000067225928 569465232 /nfs/dbraw/zinc/46/52/32/569465232.db2.gz KWYMIPQEAZGDPB-UHFFFAOYSA-N 1 1 430.509 1.450 50 0 IDAAMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)[NH+](C)C)cc1 ZINC000040058502 569484685 /nfs/dbraw/zinc/48/46/85/569484685.db2.gz BOFUJVRDPAKNFH-LJQANCHMSA-N 1 1 425.576 1.738 50 0 IDAAMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000040119092 569489402 /nfs/dbraw/zinc/48/94/02/569489402.db2.gz ZAZLUWBMUHIDEM-AABGKKOBSA-N 1 1 426.941 1.728 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCn3cc[nH+]c3C)c2c1 ZINC000040151687 569493373 /nfs/dbraw/zinc/49/33/73/569493373.db2.gz ATVCRAZVRMQQTA-UHFFFAOYSA-N 1 1 445.545 1.884 50 0 IDAAMO Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000040154898 569493821 /nfs/dbraw/zinc/49/38/21/569493821.db2.gz SPFCPNZZUSILJK-UHFFFAOYSA-N 1 1 434.338 1.931 50 0 IDAAMO COc1cccc(C[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)n2nnnc2C)c1 ZINC000069652699 569511520 /nfs/dbraw/zinc/51/15/20/569511520.db2.gz YZRNQIPZJTUIMS-FQEVSTJZSA-N 1 1 432.488 1.979 50 0 IDAAMO COC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)COC(C)(C)C3 ZINC000009410520 569531374 /nfs/dbraw/zinc/53/13/74/569531374.db2.gz BKJQNHKXCZUHLE-UHFFFAOYSA-N 1 1 435.546 1.735 50 0 IDAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009619307 569553394 /nfs/dbraw/zinc/55/33/94/569553394.db2.gz SAVAVYUUSCIMOP-FQEVSTJZSA-N 1 1 432.546 1.822 50 0 IDAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009619307 569553395 /nfs/dbraw/zinc/55/33/95/569553395.db2.gz SAVAVYUUSCIMOP-FQEVSTJZSA-N 1 1 432.546 1.822 50 0 IDAAMO C[N@H+](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)Cc1ccc2c(c1)OCO2 ZINC000009753697 569566175 /nfs/dbraw/zinc/56/61/75/569566175.db2.gz ACHILCRRSJIOEJ-UHFFFAOYSA-N 1 1 442.491 1.769 50 0 IDAAMO C[N@@H+](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)Cc1ccc2c(c1)OCO2 ZINC000009753697 569566176 /nfs/dbraw/zinc/56/61/76/569566176.db2.gz ACHILCRRSJIOEJ-UHFFFAOYSA-N 1 1 442.491 1.769 50 0 IDAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(S(=O)(=O)CCOc3ccc(F)cc3)CC2)nn1 ZINC000077197084 569586150 /nfs/dbraw/zinc/58/61/50/569586150.db2.gz XBCSHXXXVWWZFJ-UHFFFAOYSA-N 1 1 446.508 1.641 50 0 IDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004057184 132269116 /nfs/dbraw/zinc/26/91/16/132269116.db2.gz HELQBULJEYEPSM-UHFFFAOYSA-N 1 1 440.585 1.516 50 0 IDAAMO CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@H]2CCCCC[N@@H+]2C)CCO3)CC1 ZINC000012131399 519586382 /nfs/dbraw/zinc/58/63/82/519586382.db2.gz URUGAWOKNYAXSX-JOCHJYFZSA-N 1 1 428.577 1.946 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401384 521653326 /nfs/dbraw/zinc/65/33/26/521653326.db2.gz JTVVIRJUAJCZGE-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)ccc1C ZINC000035401384 521653329 /nfs/dbraw/zinc/65/33/29/521653329.db2.gz JTVVIRJUAJCZGE-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3cccc(OC)c3)on2)CC1 ZINC000036002461 521662043 /nfs/dbraw/zinc/66/20/43/521662043.db2.gz FYBAKHKUNHEPOL-UHFFFAOYSA-N 1 1 444.532 1.993 50 0 IDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000021887786 521663202 /nfs/dbraw/zinc/66/32/02/521663202.db2.gz RGSFINLQHVJJDU-MRXNPFEDSA-N 1 1 441.594 1.282 50 0 biogenic IDAAMO CCN1CC[NH+](CCCNC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682814 521679474 /nfs/dbraw/zinc/67/94/74/521679474.db2.gz FXDQPFGHMHSQRA-QFIPXVFZSA-N 1 1 438.576 1.547 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000035372387 521679908 /nfs/dbraw/zinc/67/99/08/521679908.db2.gz BDNYMMBIIULKOM-UHFFFAOYSA-N 1 1 438.576 1.812 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(OC)cc4)c(=O)c3s2)CC1 ZINC000021886436 521701942 /nfs/dbraw/zinc/70/19/42/521701942.db2.gz OQEIJTJJVHSJMX-UHFFFAOYSA-N 1 1 428.518 1.642 50 0 IDAAMO CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCC[N@@H+](C)C3CCCCC3)o2)cc1 ZINC000035527887 521975111 /nfs/dbraw/zinc/97/51/11/521975111.db2.gz UJVSSPPKTOPQMI-UHFFFAOYSA-N 1 1 435.550 1.981 50 0 IDAAMO COc1cc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc2c1OCO2 ZINC000020454992 522400007 /nfs/dbraw/zinc/40/00/07/522400007.db2.gz RQJASVFSQADWPC-UHFFFAOYSA-N 1 1 436.472 1.399 50 0 IDAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc2c1OCO2 ZINC000020454992 522400021 /nfs/dbraw/zinc/40/00/21/522400021.db2.gz RQJASVFSQADWPC-UHFFFAOYSA-N 1 1 436.472 1.399 50 0 IDAAMO COc1ccc(C[NH2+]CCc2scnc2C)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020877893 524071011 /nfs/dbraw/zinc/07/10/11/524071011.db2.gz LFJUGDNWCPBHHP-LJQANCHMSA-N 1 1 434.606 1.780 50 0 IDAAMO Cc1cccc(N2CC[NH+](Cc3cc(=O)[nH]c(N4CCN(C(=O)C(C)C)CC4)n3)CC2)c1 ZINC000035926729 524557994 /nfs/dbraw/zinc/55/79/94/524557994.db2.gz PTIIJKWUDBEGPN-UHFFFAOYSA-N 1 1 438.576 1.705 50 0 IDAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C(=O)N3CC[NH+](C)CC3)C(C)C)no2)c1 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COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](CCNC(C)=O)C1CCSCC1 ZINC000225788093 557778077 /nfs/dbraw/zinc/77/80/77/557778077.db2.gz WYZLNVMWESHEQB-HXUWFJFHSA-N 1 1 433.574 1.447 50 0 IDAAMO CN(C(=O)C[N@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003343974 562934534 /nfs/dbraw/zinc/93/45/34/562934534.db2.gz LLYCCIAHCDJNRK-UHFFFAOYSA-N 1 1 445.523 1.919 50 0 IDAAMO CN(C(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003343974 562934535 /nfs/dbraw/zinc/93/45/35/562934535.db2.gz LLYCCIAHCDJNRK-UHFFFAOYSA-N 1 1 445.523 1.919 50 0 IDAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000008685261 562962400 /nfs/dbraw/zinc/96/24/00/562962400.db2.gz QNUHZILWONFXCK-SFTDATJTSA-N 1 1 442.512 1.523 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414919 563024679 /nfs/dbraw/zinc/02/46/79/563024679.db2.gz DDGDICBAMPKPJO-GOSISDBHSA-N 1 1 431.610 1.689 50 0 IDAAMO COC(=O)c1ccc2c(c1)nc(CN1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240616 568796535 /nfs/dbraw/zinc/79/65/35/568796535.db2.gz BGRXTCLYAWSEMX-OAHLLOKOSA-N 1 1 445.520 1.350 50 0 IDAAMO COC(=O)c1ccc2c(c1)nc(CN1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)[nH]c2=O ZINC000084240616 568796538 /nfs/dbraw/zinc/79/65/38/568796538.db2.gz BGRXTCLYAWSEMX-OAHLLOKOSA-N 1 1 445.520 1.350 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000084697489 568800096 /nfs/dbraw/zinc/80/00/96/568800096.db2.gz JTIFLUCFVMZVDN-HNNXBMFYSA-N 1 1 427.567 1.609 50 0 IDAAMO Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000015787015 568836487 /nfs/dbraw/zinc/83/64/87/568836487.db2.gz JGIHJONMIMWPAX-UHFFFAOYSA-N 1 1 448.589 1.805 50 0 IDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CO)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968284 568861241 /nfs/dbraw/zinc/86/12/41/568861241.db2.gz LPHFXVHCLFLXOK-ZHSNQQFMSA-N 1 1 439.899 1.604 50 0 biogenic IDAAMO C[N@@H+]1CCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000226885344 568885564 /nfs/dbraw/zinc/88/55/64/568885564.db2.gz JLQDROJYGAKEAD-JOCHJYFZSA-N 1 1 426.536 1.979 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000226885344 568885567 /nfs/dbraw/zinc/88/55/67/568885567.db2.gz JLQDROJYGAKEAD-JOCHJYFZSA-N 1 1 426.536 1.979 50 0 IDAAMO Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000013003169 568898476 /nfs/dbraw/zinc/89/84/76/568898476.db2.gz FLOQBTLTSTYFDN-HXUWFJFHSA-N 1 1 430.574 1.817 50 0 IDAAMO COc1cccc(C[C@@H](C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000241383451 568912240 /nfs/dbraw/zinc/91/22/40/568912240.db2.gz MVLCTDLGDCHDFZ-RTWAWAEBSA-N 1 1 428.537 1.487 50 0 IDAAMO COc1cc(OC)c(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)cc1Cl ZINC000064836191 568969208 /nfs/dbraw/zinc/96/92/08/568969208.db2.gz KCKYISYFLTVOCL-UHFFFAOYSA-N 1 1 431.880 1.944 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3c(c(=O)n4ncc(C(=O)N5CCOCC5)c4n3C)C2)cc1 ZINC000064967727 569001322 /nfs/dbraw/zinc/00/13/22/569001322.db2.gz QWLAREUTKAIQET-UHFFFAOYSA-N 1 1 437.500 1.072 50 0 IDAAMO COc1ccc(C[N@H+]2CCc3c(c(=O)n4ncc(C(=O)N5CCOCC5)c4n3C)C2)cc1 ZINC000064967727 569001324 /nfs/dbraw/zinc/00/13/24/569001324.db2.gz QWLAREUTKAIQET-UHFFFAOYSA-N 1 1 437.500 1.072 50 0 IDAAMO CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)ccc21 ZINC000065085631 569103256 /nfs/dbraw/zinc/10/32/56/569103256.db2.gz XNQMSHXUGMXRCK-UHFFFAOYSA-N 1 1 448.589 1.160 50 0 IDAAMO COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@@H+](C)CC3)c2=O)cc1 ZINC000065212355 569116806 /nfs/dbraw/zinc/11/68/06/569116806.db2.gz NAFLKNRXKIMQQL-UHFFFAOYSA-N 1 1 427.505 1.973 50 0 IDAAMO CCc1ccc(-c2cc3c(=O)n(Cc4noc(CN5CC[NH+](C)CC5)n4)ccn3n2)cc1 ZINC000065235863 569119434 /nfs/dbraw/zinc/11/94/34/569119434.db2.gz JHUQJDOJBQQZCH-UHFFFAOYSA-N 1 1 433.516 1.904 50 0 IDAAMO CCN(C(=O)C[N@H+](C)Cc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134618 569125565 /nfs/dbraw/zinc/12/55/65/569125565.db2.gz DEQXBBZVZOXBBN-UHFFFAOYSA-N 1 1 435.528 1.960 50 0 IDAAMO CCN(C(=O)C[N@@H+](C)Cc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134618 569125566 /nfs/dbraw/zinc/12/55/66/569125566.db2.gz DEQXBBZVZOXBBN-UHFFFAOYSA-N 1 1 435.528 1.960 50 0 IDAAMO O=C(NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1[nH]nc2c1COc1ccccc1-2 ZINC000524730582 569126076 /nfs/dbraw/zinc/12/60/76/569126076.db2.gz OBBGAEJNJUYPTP-CVEARBPZSA-N 1 1 431.496 1.980 50 0 biogenic IDAAMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600742 569142912 /nfs/dbraw/zinc/14/29/12/569142912.db2.gz YPSZNCDWSXXUJR-INIZCTEOSA-N 1 1 430.509 1.066 50 0 IDAAMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600742 569142913 /nfs/dbraw/zinc/14/29/13/569142913.db2.gz YPSZNCDWSXXUJR-INIZCTEOSA-N 1 1 430.509 1.066 50 0 IDAAMO Cc1ccc(NC(=O)C[N@H+]2CCSCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616723 569146727 /nfs/dbraw/zinc/14/67/27/569146727.db2.gz WBRGUSSYLNEAND-MRXNPFEDSA-N 1 1 427.592 1.782 50 0 IDAAMO Cc1ccc(NC(=O)C[N@@H+]2CCSCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616723 569146729 /nfs/dbraw/zinc/14/67/29/569146729.db2.gz WBRGUSSYLNEAND-MRXNPFEDSA-N 1 1 427.592 1.782 50 0 IDAAMO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016992984 569169838 /nfs/dbraw/zinc/16/98/38/569169838.db2.gz YTBVKVFHGQHEHS-OAHLLOKOSA-N 1 1 443.529 1.747 50 0 IDAAMO COc1ccc(CCC(=O)N2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)cc1 ZINC000170656130 569192545 /nfs/dbraw/zinc/19/25/45/569192545.db2.gz ZWVKNBROVXGBFQ-UHFFFAOYSA-N 1 1 444.454 1.550 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000252695384 569211104 /nfs/dbraw/zinc/21/11/04/569211104.db2.gz ZDZLHYCCYICKBX-BFFGJUFNSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385991 569264204 /nfs/dbraw/zinc/26/42/04/569264204.db2.gz VDTPQSMPHAKDCF-RULACWDSSA-N 1 1 429.448 1.988 50 0 IDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000013371704 569315085 /nfs/dbraw/zinc/31/50/85/569315085.db2.gz NPZIRZSUZFEDPE-PMACEKPBSA-N 1 1 439.555 1.475 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2OC)cc1 ZINC000013371701 569315089 /nfs/dbraw/zinc/31/50/89/569315089.db2.gz DOQNOCYKPFUMRS-ICSRJNTNSA-N 1 1 439.555 1.475 50 0 IDAAMO Cc1nc2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000078902862 569320152 /nfs/dbraw/zinc/32/01/52/569320152.db2.gz WLQBYYVOYMPEQB-WIYYLYMNSA-N 1 1 448.589 1.791 50 0 IDAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 ZINC000095399143 569363663 /nfs/dbraw/zinc/36/36/63/569363663.db2.gz QLRDJKXQVMASPI-XBBWARJSSA-N 1 1 427.567 1.129 50 0 IDAAMO Cc1c2cnn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417074 569364797 /nfs/dbraw/zinc/36/47/97/569364797.db2.gz AVTBPIAZWNMJSU-UHFFFAOYSA-N 1 1 437.544 1.702 50 0 IDAAMO COc1ccc(N2C[C@@H](C(=O)N3CCC([N@@H+](C)CC(=O)NC(C)C)CC3)CC2=O)cc1 ZINC000095432322 569366301 /nfs/dbraw/zinc/36/63/01/569366301.db2.gz UYKAUCDJUCDFAL-KRWDZBQOSA-N 1 1 430.549 1.496 50 0 IDAAMO CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000095444226 569367047 /nfs/dbraw/zinc/36/70/47/569367047.db2.gz WZBCCGNLXMLUGL-LJQANCHMSA-N 1 1 440.592 1.993 50 0 IDAAMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000095450376 569367786 /nfs/dbraw/zinc/36/77/86/569367786.db2.gz SKFMXSZLYVYIPB-CQSZACIVSA-N 1 1 426.926 1.544 50 0 IDAAMO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000095464879 569370534 /nfs/dbraw/zinc/37/05/34/569370534.db2.gz IPEIHWBCFPQXOF-PKOBYXMFSA-N 1 1 430.549 1.437 50 0 IDAAMO O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000020622622 569374640 /nfs/dbraw/zinc/37/46/40/569374640.db2.gz UGQCWTLZVDPDNI-UHFFFAOYSA-N 1 1 444.576 1.178 50 0 IDAAMO COc1ccc(-c2nn([C@H](C)C(=O)NCCC[NH+]3CCOCC3)c(=O)cc2OC)cc1 ZINC000096101079 569381742 /nfs/dbraw/zinc/38/17/42/569381742.db2.gz UPSPRVVPQCJXRB-MRXNPFEDSA-N 1 1 430.505 1.327 50 0 IDAAMO COc1ccc(N2C[C@@H](NC(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1 ZINC000056925358 569427675 /nfs/dbraw/zinc/42/76/75/569427675.db2.gz XXOPSEVGJCYSMY-IBGZPJMESA-N 1 1 437.544 1.922 50 0 IDAAMO CCOC(=O)C1=C(C[NH+]2CCC(C(N)=O)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057414527 569433952 /nfs/dbraw/zinc/43/39/52/569433952.db2.gz XRKYJLQRRNQJOI-LJQANCHMSA-N 1 1 446.504 1.072 50 0 IDAAMO O=C(CN(CCN1CCCCC1)C(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000015864155 569458850 /nfs/dbraw/zinc/45/88/50/569458850.db2.gz BOYJMRPQRCWCCH-UHFFFAOYSA-N 1 1 437.382 1.809 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272305 569461679 /nfs/dbraw/zinc/46/16/79/569461679.db2.gz NPZKXLBZMSFXQD-QGZVFWFLSA-N 1 1 426.517 1.283 50 0 IDAAMO 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/nfs/dbraw/zinc/44/90/91/556449091.db2.gz KICCUAVDOSGOOB-WOJBJXKFSA-N 1 1 445.560 1.418 50 0 IDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000014965398 556465350 /nfs/dbraw/zinc/46/53/50/556465350.db2.gz SIBXKMDEJZXJFM-LJQANCHMSA-N 1 1 437.566 1.600 50 0 IDAAMO CCOC(=O)N1CCC([N@@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)CC1 ZINC000014984423 556471977 /nfs/dbraw/zinc/47/19/77/556471977.db2.gz OIKXTZIXXLQLRT-UHFFFAOYSA-N 1 1 446.596 1.996 50 0 IDAAMO COc1cccc(C[N@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000013134273 556482035 /nfs/dbraw/zinc/48/20/35/556482035.db2.gz QVPVZGOCFNEQHQ-UHFFFAOYSA-N 1 1 437.500 1.271 50 0 IDAAMO COc1cccc(C[N@@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000013134273 556482038 /nfs/dbraw/zinc/48/20/38/556482038.db2.gz QVPVZGOCFNEQHQ-UHFFFAOYSA-N 1 1 437.500 1.271 50 0 IDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013574013 556524424 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GNLLWXJLTHKOGU-SFHVURJKSA-N 1 1 439.603 1.550 50 0 IDAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000015868908 556559722 /nfs/dbraw/zinc/55/97/22/556559722.db2.gz CBWCUHXLVPFFEJ-UHFFFAOYSA-N 1 1 443.635 1.980 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@@H]13)O2 ZINC000015905356 556562558 /nfs/dbraw/zinc/56/25/58/556562558.db2.gz ZBDPUCXJZDSDJN-JPAWQOSXSA-N 1 1 431.920 1.465 50 0 IDAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016013086 556574420 /nfs/dbraw/zinc/57/44/20/556574420.db2.gz HJZSLJCUWMONSV-KANGHSEISA-N 1 1 438.871 1.136 50 0 IDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@@H](OCc2ccncc2)C1 ZINC000039344691 556627727 /nfs/dbraw/zinc/62/77/27/556627727.db2.gz SCFNHEYYWHYDJK-UXHICEINSA-N 1 1 446.548 1.075 50 0 IDAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413144 556640425 /nfs/dbraw/zinc/64/04/25/556640425.db2.gz DKZSICJNZLBYGL-YLJYHZDGSA-N 1 1 428.533 1.842 50 0 biogenic IDAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000018271487 556688829 /nfs/dbraw/zinc/68/88/29/556688829.db2.gz TUMHKKYOEKRNHW-FQEVSTJZSA-N 1 1 429.517 1.678 50 0 IDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966786 556689096 /nfs/dbraw/zinc/68/90/96/556689096.db2.gz VRCDFNBEJPGTCE-LJQANCHMSA-N 1 1 432.565 1.452 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cc(OC)cc(OC)c1 ZINC000045966786 556689099 /nfs/dbraw/zinc/68/90/99/556689099.db2.gz VRCDFNBEJPGTCE-LJQANCHMSA-N 1 1 432.565 1.452 50 0 IDAAMO CC(C)[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cnn(C)c1 ZINC000058018064 556754187 /nfs/dbraw/zinc/75/41/87/556754187.db2.gz BOEMVVQWUGVYOL-UHFFFAOYSA-N 1 1 433.578 1.305 50 0 IDAAMO CC(C)[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)Cc1cnn(C)c1 ZINC000058018064 556754190 /nfs/dbraw/zinc/75/41/90/556754190.db2.gz BOEMVVQWUGVYOL-UHFFFAOYSA-N 1 1 433.578 1.305 50 0 IDAAMO COc1ccc(CCNC(=O)C[NH+]2CCC(NC(=O)c3cc(C)no3)CC2)cc1OC ZINC000058171950 556768605 /nfs/dbraw/zinc/76/86/05/556768605.db2.gz HSTSOGZTHHWTGP-UHFFFAOYSA-N 1 1 430.505 1.553 50 0 IDAAMO COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)ccc1OCC(N)=O ZINC000058223958 556773489 /nfs/dbraw/zinc/77/34/89/556773489.db2.gz KCCNFWGDOVFLMS-UHFFFAOYSA-N 1 1 440.500 1.589 50 0 IDAAMO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000033061848 556817567 /nfs/dbraw/zinc/81/75/67/556817567.db2.gz MSHOIVJVFQUQDX-UHFFFAOYSA-N 1 1 446.577 1.485 50 0 IDAAMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000008852631 556850175 /nfs/dbraw/zinc/85/01/75/556850175.db2.gz LXJWJFUOMQYNLF-UHFFFAOYSA-N 1 1 447.557 1.965 50 0 IDAAMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000008852631 556850176 /nfs/dbraw/zinc/85/01/76/556850176.db2.gz LXJWJFUOMQYNLF-UHFFFAOYSA-N 1 1 447.557 1.965 50 0 IDAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c(OC)c1 ZINC000072116101 556897953 /nfs/dbraw/zinc/89/79/53/556897953.db2.gz ATKPIOXYMXURQN-UHFFFAOYSA-N 1 1 428.493 1.685 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)ncn2)CC1 ZINC000072117306 556898125 /nfs/dbraw/zinc/89/81/25/556898125.db2.gz RNMOGAJQPUGGKW-UHFFFAOYSA-N 1 1 436.969 1.393 50 0 IDAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1C ZINC000072119294 556898501 /nfs/dbraw/zinc/89/85/01/556898501.db2.gz YVJSIXAOKPFEME-UHFFFAOYSA-N 1 1 431.562 1.749 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2cccs2)cc1C ZINC000019821009 556924164 /nfs/dbraw/zinc/92/41/64/556924164.db2.gz POMJDNSJDWHSKX-WMZOPIPTSA-N 1 1 429.585 1.837 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000019938169 556952122 /nfs/dbraw/zinc/95/21/22/556952122.db2.gz ZUXAJZIVXIEPDL-HNNXBMFYSA-N 1 1 429.970 1.913 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)ncn2)CC1 ZINC000072441523 556972997 /nfs/dbraw/zinc/97/29/97/556972997.db2.gz NAPVJLDQLNSHOU-UHFFFAOYSA-N 1 1 438.504 1.018 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1 ZINC000020103222 556980850 /nfs/dbraw/zinc/98/08/50/556980850.db2.gz BAUDZAFXQQCIAE-JOCHJYFZSA-N 1 1 449.555 1.160 50 0 IDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3nc(C)cc(C)n3)c2)CC1 ZINC000020203605 556998002 /nfs/dbraw/zinc/99/80/02/556998002.db2.gz DOQCYPCTIFDXGM-JOCHJYFZSA-N 1 1 427.593 1.803 50 0 IDAAMO COc1ccccc1CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1C ZINC000046140756 557042343 /nfs/dbraw/zinc/04/23/43/557042343.db2.gz KQLNWRDVBNTHBF-UHFFFAOYSA-N 1 1 431.558 1.881 50 0 IDAAMO CN(C)CC[NH2+][C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000022927364 557048867 /nfs/dbraw/zinc/04/88/67/557048867.db2.gz TUGSYRFFXODNRR-OAQYLSRUSA-N 1 1 446.573 1.539 50 0 IDAAMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)[NH+]2CCCC2)c1 ZINC000048309591 557059927 /nfs/dbraw/zinc/05/99/27/557059927.db2.gz SLILHNVHYPYYKR-IBGZPJMESA-N 1 1 439.559 1.458 50 0 IDAAMO Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)c2)no1 ZINC000033279224 557059889 /nfs/dbraw/zinc/05/98/89/557059889.db2.gz UPKPVDSFNONOHO-AWEZNQCLSA-N 1 1 439.563 1.281 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@H+](Cc1sccc1C)CC2 ZINC000023129421 557066266 /nfs/dbraw/zinc/06/62/66/557066266.db2.gz VZPZZBJFPRNKCP-INIZCTEOSA-N 1 1 431.558 1.882 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@@H+]1C ZINC000023129564 557066412 /nfs/dbraw/zinc/06/64/12/557066412.db2.gz DLOLNVACXGYWQT-OSPHWJPCSA-N 1 1 438.503 1.970 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@H+]1C ZINC000023129564 557066419 /nfs/dbraw/zinc/06/64/19/557066419.db2.gz DLOLNVACXGYWQT-OSPHWJPCSA-N 1 1 438.503 1.970 50 0 IDAAMO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCOCC1 ZINC000023846142 557120237 /nfs/dbraw/zinc/12/02/37/557120237.db2.gz AQAOJDLRUFQEBI-UHFFFAOYSA-N 1 1 444.557 1.360 50 0 IDAAMO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000096471166 557200947 /nfs/dbraw/zinc/20/09/47/557200947.db2.gz LDMWUUPBLBFGSP-HNNXBMFYSA-N 1 1 438.303 1.518 50 0 IDAAMO NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000025607241 557218740 /nfs/dbraw/zinc/21/87/40/557218740.db2.gz NMTSAGMJNGXCQJ-MSOLQXFVSA-N 1 1 436.940 1.027 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100257901 557256056 /nfs/dbraw/zinc/25/60/56/557256056.db2.gz KSQBJQBUSNNORM-QDMVCWPOSA-N 1 1 447.491 1.589 50 0 IDAAMO C[C@@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101246243 557264715 /nfs/dbraw/zinc/26/47/15/557264715.db2.gz JQHJDEHVDMZRGK-RXVVDRJESA-N 1 1 434.540 1.832 50 0 IDAAMO C[N@@H+](CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)Cc1ccccc1 ZINC000032759775 557315261 /nfs/dbraw/zinc/31/52/61/557315261.db2.gz IQMVCQDJHOHYRS-UHFFFAOYSA-N 1 1 444.557 1.059 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000105349273 557495623 /nfs/dbraw/zinc/49/56/23/557495623.db2.gz BUPDNDBUWANODG-GRQPQKDCSA-N 1 1 439.443 1.136 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105381092 557497310 /nfs/dbraw/zinc/49/73/10/557497310.db2.gz TYWOLZGGOZTIIF-CMFILSDRSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)c(C)c1 ZINC000045974708 557556638 /nfs/dbraw/zinc/55/66/38/557556638.db2.gz CRARFNKAINRCLO-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 ZINC000225459311 557725278 /nfs/dbraw/zinc/72/52/78/557725278.db2.gz JTTBRRGIJWAMCM-SLYNCCJLSA-N 1 1 432.613 1.498 50 0 IDAAMO COC(=O)C1(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170951 557846171 /nfs/dbraw/zinc/84/61/71/557846171.db2.gz KDBWAJVOTHJVRM-HOTGVXAUSA-N 1 1 438.546 1.146 50 0 IDAAMO COc1cccc(-c2cc3n(n2)[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CNC3=O)c1 ZINC000263615012 568775786 /nfs/dbraw/zinc/77/57/86/568775786.db2.gz ADSUPTKBIOBMGH-HXUWFJFHSA-N 1 1 441.513 1.280 50 0 IDAAMO Cc1nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671209 568802380 /nfs/dbraw/zinc/80/23/80/568802380.db2.gz FZFJMCNEIQJDKV-UHFFFAOYSA-N 1 1 436.310 1.940 50 0 IDAAMO CC1=C(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731366 568814765 /nfs/dbraw/zinc/81/47/65/568814765.db2.gz XGWKCBNYYDWUJG-OAHLLOKOSA-N 1 1 427.567 1.035 50 0 biogenic IDAAMO CC1=C(C(=O)NCCC[N@H+](C)C2CCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731371 568814808 /nfs/dbraw/zinc/81/48/08/568814808.db2.gz AKNAEBZSBFFWGL-UHFFFAOYSA-N 1 1 441.594 1.425 50 0 biogenic IDAAMO CC1=C(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731367 568814913 /nfs/dbraw/zinc/81/49/13/568814913.db2.gz XGWKCBNYYDWUJG-HNNXBMFYSA-N 1 1 427.567 1.035 50 0 biogenic IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2c1cccc2C ZINC000015956651 568859967 /nfs/dbraw/zinc/85/99/67/568859967.db2.gz PPCAFGJIMNCBIO-IPROKWSXSA-N 1 1 435.480 1.305 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969311 568861452 /nfs/dbraw/zinc/86/14/52/568861452.db2.gz SEVGYGLCWSWWEZ-XVIHEJCXSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015969314 568861540 /nfs/dbraw/zinc/86/15/40/568861540.db2.gz SEVGYGLCWSWWEZ-NRGSMNHXSA-N 1 1 446.507 1.142 50 0 biogenic IDAAMO O=C(NCC1CC1)[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000229906900 568886977 /nfs/dbraw/zinc/88/69/77/568886977.db2.gz ODJIDGNALLTFAK-FGZHOGPDSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCC1CC1)[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000229906900 568886979 /nfs/dbraw/zinc/88/69/79/568886979.db2.gz ODJIDGNALLTFAK-FGZHOGPDSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000043746991 568896721 /nfs/dbraw/zinc/89/67/21/568896721.db2.gz GHPGYLQPBJKRLB-ANULTFPQSA-N 1 1 440.588 1.955 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000245325266 568915098 /nfs/dbraw/zinc/91/50/98/568915098.db2.gz DOUIWKYWWJPRLI-OJNZNAPVSA-N 1 1 439.899 1.950 50 0 IDAAMO Cc1cc(C)cc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3)c2=O)c1 ZINC000036093968 568950814 /nfs/dbraw/zinc/95/08/14/568950814.db2.gz OGXJMIUZEJBPPJ-UHFFFAOYSA-N 1 1 433.512 1.447 50 0 IDAAMO CCn1c2c(C(=O)NC[C@H]3CCCO3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835859 568968970 /nfs/dbraw/zinc/96/89/70/568968970.db2.gz LBADFSSVVKVLDJ-GOSISDBHSA-N 1 1 435.528 1.983 50 0 IDAAMO CCn1c2c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836013 568969233 /nfs/dbraw/zinc/96/92/33/568969233.db2.gz KBULBSOIEBKUNE-UHFFFAOYSA-N 1 1 441.488 1.782 50 0 IDAAMO Cc1onc2c1c(-c1ccc(Cl)cc1)nn(CC(=O)NCCC[NH+]1CCOCC1)c2=O ZINC000064842077 568970615 /nfs/dbraw/zinc/97/06/15/568970615.db2.gz UELNQHZRTBXGLW-UHFFFAOYSA-N 1 1 445.907 1.852 50 0 IDAAMO Cc1ccc(CN2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000064888654 568979555 /nfs/dbraw/zinc/97/95/55/568979555.db2.gz WQIRJKLRSUNDQU-UHFFFAOYSA-N 1 1 434.540 1.510 50 0 IDAAMO Cc1nc(C)c(Cc2ccccc2)c(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000036340443 569078637 /nfs/dbraw/zinc/07/86/37/569078637.db2.gz INHRSOUVDFZILH-JOCHJYFZSA-N 1 1 425.577 1.499 50 0 IDAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061859 569096840 /nfs/dbraw/zinc/09/68/40/569096840.db2.gz WUBGXWGWSKWSKG-QGZVFWFLSA-N 1 1 442.651 1.539 50 0 IDAAMO O=C(CC1(Cn2cnnn2)CCCCC1)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730649 569126092 /nfs/dbraw/zinc/12/60/92/569126092.db2.gz RBRHGBXJMGKPOQ-MOPGFXCFSA-N 1 1 439.564 1.411 50 0 biogenic IDAAMO COCCn1c(C)cc(C)c(C(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1=O ZINC000524732229 569126804 /nfs/dbraw/zinc/12/68/04/569126804.db2.gz QPAHIROEGSKMGT-MOPGFXCFSA-N 1 1 440.544 1.122 50 0 biogenic IDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273818 569128235 /nfs/dbraw/zinc/12/82/35/569128235.db2.gz XTBFSARIMNMRCC-GOSISDBHSA-N 1 1 445.633 1.861 50 0 IDAAMO CC[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314779 569135637 /nfs/dbraw/zinc/13/56/37/569135637.db2.gz TYXOASPJBJSVTN-UHFFFAOYSA-N 1 1 448.589 1.259 50 0 IDAAMO COC(=O)C(C)(C)NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000170617149 569147108 /nfs/dbraw/zinc/14/71/08/569147108.db2.gz XNOVKDYEGNAJKW-KRWDZBQOSA-N 1 1 427.505 1.645 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000252693147 569210802 /nfs/dbraw/zinc/21/08/02/569210802.db2.gz BDRXNLLNSXNAAR-HBBROVCRSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO Cn1c2ccc([C@@H](CC(N)=O)c3oc(C[NH+]4CCCCC4)cc(=O)c3O)cc2n(C)c1=O ZINC000253415141 569266334 /nfs/dbraw/zinc/26/63/34/569266334.db2.gz ZTECUYUIDJBKCP-MRXNPFEDSA-N 1 1 440.500 1.529 50 0 biogenic IDAAMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253529912 569283807 /nfs/dbraw/zinc/28/38/07/569283807.db2.gz GHPGYLQPBJKRLB-MXEMCNAFSA-N 1 1 440.588 1.955 50 0 IDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000013371868 569315106 /nfs/dbraw/zinc/31/51/06/569315106.db2.gz CUYAOISGSVNLOA-PMACEKPBSA-N 1 1 441.546 1.914 50 0 IDAAMO C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1=O ZINC000019797398 569329693 /nfs/dbraw/zinc/32/96/93/569329693.db2.gz JHEOFXARBMUMNS-KRWDZBQOSA-N 1 1 427.526 1.957 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103564 569334101 /nfs/dbraw/zinc/33/41/01/569334101.db2.gz YDURXHGKEAEOLA-HNNXBMFYSA-N 1 1 445.589 1.444 50 0 IDAAMO CCOC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 ZINC000095399141 569363632 /nfs/dbraw/zinc/36/36/32/569363632.db2.gz QLRDJKXQVMASPI-SONOPUAISA-N 1 1 427.567 1.129 50 0 IDAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 ZINC000095399144 569363638 /nfs/dbraw/zinc/36/36/38/569363638.db2.gz QLRDJKXQVMASPI-SLQAJWMNSA-N 1 1 427.567 1.129 50 0 IDAAMO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000095404914 569364341 /nfs/dbraw/zinc/36/43/41/569364341.db2.gz APGXSNQTSZPGJG-QFIPXVFZSA-N 1 1 440.544 1.410 50 0 IDAAMO O=C(C1CCN(c2cncc3nnnn32)CC1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000095449256 569367611 /nfs/dbraw/zinc/36/76/11/569367611.db2.gz WHUFOQYMOWDFDY-UHFFFAOYSA-N 1 1 438.511 1.609 50 0 IDAAMO O=C(C1CCN(c2cncc3nnnn32)CC1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000095449256 569367612 /nfs/dbraw/zinc/36/76/12/569367612.db2.gz WHUFOQYMOWDFDY-UHFFFAOYSA-N 1 1 438.511 1.609 50 0 IDAAMO CCCNC(=O)CN(C)C(=O)C[N@@H+](CCN1CCN(c2cccc(C)c2)CC1)CC1CC1 ZINC000095456043 569368737 /nfs/dbraw/zinc/36/87/37/569368737.db2.gz UTFQHULJJZIBME-UHFFFAOYSA-N 1 1 443.636 1.814 50 0 IDAAMO C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)CN1CC[NH+](C)CC1 ZINC000095461381 569369826 /nfs/dbraw/zinc/36/98/26/569369826.db2.gz UXHFBKZYIUTTAT-KRWDZBQOSA-N 1 1 441.580 1.503 50 0 IDAAMO CC[NH+]1CCN(c2ccc(C(=O)Oc3cccc(C(=O)NCC(N)=O)c3)cc2F)CC1 ZINC000095983045 569377885 /nfs/dbraw/zinc/37/78/85/569377885.db2.gz BASPUPWEDATUDI-UHFFFAOYSA-N 1 1 428.464 1.402 50 0 IDAAMO COc1ccc(-c2nn([C@@H](C)C(=O)NCCC[NH+]3CCOCC3)c(=O)cc2OC)cc1 ZINC000096101078 569381708 /nfs/dbraw/zinc/38/17/08/569381708.db2.gz UPSPRVVPQCJXRB-INIZCTEOSA-N 1 1 430.505 1.327 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)CC1 ZINC000002653573 569415107 /nfs/dbraw/zinc/41/51/07/569415107.db2.gz ZXUHBXRARMLLSJ-UHFFFAOYSA-N 1 1 436.361 1.792 50 0 IDAAMO CCOC(Cn1cc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1)OCC ZINC000058265838 569452027 /nfs/dbraw/zinc/45/20/27/569452027.db2.gz PHVZFZWMHMNPCH-UHFFFAOYSA-N 1 1 444.580 1.615 50 0 IDAAMO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333179 569461328 /nfs/dbraw/zinc/46/13/28/569461328.db2.gz TYPBOXHMYLELRS-HXUWFJFHSA-N 1 1 442.539 1.699 50 0 IDAAMO CCOC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286774 569467140 /nfs/dbraw/zinc/46/71/40/569467140.db2.gz XRVQRFKETQAWTG-OAQYLSRUSA-N 1 1 446.548 1.903 50 0 IDAAMO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286774 569467141 /nfs/dbraw/zinc/46/71/41/569467141.db2.gz XRVQRFKETQAWTG-OAQYLSRUSA-N 1 1 446.548 1.903 50 0 IDAAMO CCOC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286774 569467142 /nfs/dbraw/zinc/46/71/42/569467142.db2.gz XRVQRFKETQAWTG-OAQYLSRUSA-N 1 1 446.548 1.903 50 0 IDAAMO COc1cccc(C[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)n2nnnc2C)c1 ZINC000069652697 569511499 /nfs/dbraw/zinc/51/14/99/569511499.db2.gz YZRNQIPZJTUIMS-HXUWFJFHSA-N 1 1 432.488 1.979 50 0 IDAAMO COc1cc(CCC2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc(OC)c1 ZINC000009217751 569512342 /nfs/dbraw/zinc/51/23/42/569512342.db2.gz YNAYVIZZAXDUKY-UHFFFAOYSA-N 1 1 444.532 1.211 50 0 IDAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000009314382 569522021 /nfs/dbraw/zinc/52/20/21/569522021.db2.gz ZPIRMFITBZVQEX-UHFFFAOYSA-N 1 1 436.578 1.696 50 0 IDAAMO CCCC[N@@H+](C)CCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000009589688 569550026 /nfs/dbraw/zinc/55/00/26/569550026.db2.gz OUQJHDLLUWEJAT-UHFFFAOYSA-N 1 1 446.548 1.885 50 0 IDAAMO CCCn1c(N)c(N(CCOC)C(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000009602925 569551742 /nfs/dbraw/zinc/55/17/42/569551742.db2.gz KXTCPFZUAXHJSG-SFHVURJKSA-N 1 1 443.548 1.518 50 0 IDAAMO CCCn1nnc2cc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[NH+](C)CC3)ccc21 ZINC000033263079 569587432 /nfs/dbraw/zinc/58/74/32/569587432.db2.gz DONYIGASHPLECZ-IBGZPJMESA-N 1 1 434.566 1.159 50 0 IDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000022790596 518726351 /nfs/dbraw/zinc/72/63/51/518726351.db2.gz GJGXTUBASDWZRY-UHFFFAOYSA-N 1 1 447.536 1.028 50 0 IDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000022790596 518726361 /nfs/dbraw/zinc/72/63/61/518726361.db2.gz GJGXTUBASDWZRY-UHFFFAOYSA-N 1 1 447.536 1.028 50 0 IDAAMO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022466471 519729103 /nfs/dbraw/zinc/72/91/03/519729103.db2.gz BFPJUIZHUGQFPU-FQEVSTJZSA-N 1 1 427.501 1.931 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012930565 519729962 /nfs/dbraw/zinc/72/99/62/519729962.db2.gz ZRPDKVNRRKXEGN-KRWDZBQOSA-N 1 1 442.557 1.198 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000021942090 521654623 /nfs/dbraw/zinc/65/46/23/521654623.db2.gz QHXZUIGRIJFLNR-ICSRJNTNSA-N 1 1 441.576 1.694 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1ccncc1)CC2 ZINC000020601223 521657303 /nfs/dbraw/zinc/65/73/03/521657303.db2.gz OHZSCKLVRPQPSU-IBGZPJMESA-N 1 1 426.565 1.697 50 0 IDAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035967367 521663440 /nfs/dbraw/zinc/66/34/40/521663440.db2.gz VRJPZYWKMAMTCH-JOCHJYFZSA-N 1 1 439.560 1.650 50 0 IDAAMO CC[NH+]1CCN(C(=O)c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(C)C3=O)CC1 ZINC000021875601 521670475 /nfs/dbraw/zinc/67/04/75/521670475.db2.gz NSIJSMGVPLOGEZ-HSZRJFAPSA-N 1 1 444.580 1.344 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1 ZINC000020466596 521680790 /nfs/dbraw/zinc/68/07/90/521680790.db2.gz NXYWJBPZFLAVOL-KRWDZBQOSA-N 1 1 449.625 1.025 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cccc(OC)c4)c(=O)c3s2)CC1 ZINC000021886443 521701605 /nfs/dbraw/zinc/70/16/05/521701605.db2.gz GTQDZJMOEDEGQK-UHFFFAOYSA-N 1 1 428.518 1.642 50 0 IDAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022783734 522146139 /nfs/dbraw/zinc/14/61/39/522146139.db2.gz VOSPIVDKBBNPDD-LJQANCHMSA-N 1 1 428.485 1.759 50 0 IDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000016044772 522437197 /nfs/dbraw/zinc/43/71/97/522437197.db2.gz MLEILEKXCDITIB-UHFFFAOYSA-N 1 1 445.541 1.423 50 0 IDAAMO COc1cc2c(c3oc(=O)c(CC(=O)N4CC[NH+](CCO)CC4)c(C)c13)CCC(C)(C)O2 ZINC000020760017 522993830 /nfs/dbraw/zinc/99/38/30/522993830.db2.gz YPDZAFNLLUGQMB-UHFFFAOYSA-N 1 1 444.528 1.893 50 0 biogenic IDAAMO CN1CC[NH+](CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031736 523896441 /nfs/dbraw/zinc/89/64/41/523896441.db2.gz NYOXOFPUZUVHQP-UHFFFAOYSA-N 1 1 427.524 1.927 50 0 IDAAMO COc1ccc(CN2CCC(n3cc(C(=O)NCC[NH+](C)C)nn3)CC2)c(OC)c1C ZINC000012158040 524025557 /nfs/dbraw/zinc/02/55/57/524025557.db2.gz YARCEDJCQIXNAZ-UHFFFAOYSA-N 1 1 430.553 1.732 50 0 IDAAMO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000012387120 524460516 /nfs/dbraw/zinc/46/05/16/524460516.db2.gz PRDGBWBJSGHWGW-NRFANRHFSA-N 1 1 428.577 1.447 50 0 IDAAMO Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH+]c(C)n2)n1 ZINC000035597322 524476063 /nfs/dbraw/zinc/47/60/63/524476063.db2.gz XLOJZQSIKBITHY-UHFFFAOYSA-N 1 1 444.517 1.749 50 0 IDAAMO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C ZINC000022809121 524545989 /nfs/dbraw/zinc/54/59/89/524545989.db2.gz QMCZTANYYHSNJK-UHFFFAOYSA-N 1 1 443.636 1.874 50 0 IDAAMO Cc1cccc(N2CCN(C(=O)C[N@H+]3CCCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C ZINC000022809121 524546003 /nfs/dbraw/zinc/54/60/03/524546003.db2.gz QMCZTANYYHSNJK-UHFFFAOYSA-N 1 1 443.636 1.874 50 0 IDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035401471 524793084 /nfs/dbraw/zinc/79/30/84/524793084.db2.gz XVIRFDPGPQMXJM-FQEVSTJZSA-N 1 1 436.622 1.682 50 0 IDAAMO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000035401471 524793093 /nfs/dbraw/zinc/79/30/93/524793093.db2.gz XVIRFDPGPQMXJM-FQEVSTJZSA-N 1 1 436.622 1.682 50 0 IDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000022433383 524891137 /nfs/dbraw/zinc/89/11/37/524891137.db2.gz WIRATMBBXXVZMW-HUUCEWRRSA-N 1 1 431.986 1.965 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)cc1C ZINC000035401485 525512652 /nfs/dbraw/zinc/51/26/52/525512652.db2.gz XWRAOFKNJIVNDM-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020533395 525848799 /nfs/dbraw/zinc/84/87/99/525848799.db2.gz WOVDBFKGXHXRMP-CFXBOMGRSA-N 1 1 443.862 1.781 50 0 IDAAMO Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)[O-])OC(C)(C)C2 ZINC000021991929 525932646 /nfs/dbraw/zinc/93/26/46/525932646.db2.gz GVIXTVCDNCXXSH-CQSZACIVSA-N 1 1 426.539 1.320 50 0 IDAAMO Cc1c2c(nn1-c1ccccc1)c(=O)n([C@@H](C)C(=O)NCCC[NH+]1CCOCC1)nc2C ZINC000020563230 525936921 /nfs/dbraw/zinc/93/69/21/525936921.db2.gz VUPLVJSVGAMJQZ-SFHVURJKSA-N 1 1 438.532 1.599 50 0 IDAAMO O=C(C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000033028362 526303428 /nfs/dbraw/zinc/30/34/28/526303428.db2.gz UNJLJSKVYUROJF-SFHVURJKSA-N 1 1 446.573 1.171 50 0 IDAAMO O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NCCC[NH+]1CCOCC1 ZINC000035404476 526724192 /nfs/dbraw/zinc/72/41/92/526724192.db2.gz LCJNCGGEPFAMRY-UHFFFAOYSA-N 1 1 427.524 1.939 50 0 IDAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000022797906 526770573 /nfs/dbraw/zinc/77/05/73/526770573.db2.gz ZEFNGJYYJRVGJM-UHFFFAOYSA-N 1 1 426.473 1.760 50 0 IDAAMO O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCC[NH+]1CCOCC1 ZINC000035374732 526824810 /nfs/dbraw/zinc/82/48/10/526824810.db2.gz RZZHARKKXZRPME-UHFFFAOYSA-N 1 1 431.924 1.779 50 0 IDAAMO Cn1c(N)c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000021822131 527072394 /nfs/dbraw/zinc/07/23/94/527072394.db2.gz BWILESCCGLFWJI-UHFFFAOYSA-N 1 1 447.539 1.256 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012449321 527151960 /nfs/dbraw/zinc/15/19/60/527151960.db2.gz QPZDFZFBVDJCAM-QHCPKHFHSA-N 1 1 435.572 1.549 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012449321 527151969 /nfs/dbraw/zinc/15/19/69/527151969.db2.gz QPZDFZFBVDJCAM-QHCPKHFHSA-N 1 1 435.572 1.549 50 0 IDAAMO O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012303966 527432029 /nfs/dbraw/zinc/43/20/29/527432029.db2.gz GNFHJSVLZFTRKB-QFIPXVFZSA-N 1 1 431.544 1.622 50 0 IDAAMO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1cc(C)cc(C)c1 ZINC000021882044 527654175 /nfs/dbraw/zinc/65/41/75/527654175.db2.gz FKHOPKZBZWUJLE-UHFFFAOYSA-N 1 1 433.578 1.623 50 0 IDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1 ZINC000000714793 555548297 /nfs/dbraw/zinc/54/82/97/555548297.db2.gz RCARZGFGKPXDJZ-ZDUSSCGKSA-N 1 1 427.242 1.120 50 0 IDAAMO C[NH+]1CCN(c2nc(N3CCOCC3)nc3c2CN(C(=O)c2cccs2)CC3)CC1 ZINC000034676970 555795064 /nfs/dbraw/zinc/79/50/64/555795064.db2.gz WWKUCLKZXVRZDY-UHFFFAOYSA-N 1 1 428.562 1.325 50 0 IDAAMO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677362 555795733 /nfs/dbraw/zinc/79/57/33/555795733.db2.gz IXVWJMUWHZRHPG-HXUWFJFHSA-N 1 1 448.539 1.895 50 0 IDAAMO CC(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677578 555796132 /nfs/dbraw/zinc/79/61/32/555796132.db2.gz OGABZIKRSZYTCG-GOSISDBHSA-N 1 1 434.512 1.647 50 0 IDAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000011873081 556369547 /nfs/dbraw/zinc/36/95/47/556369547.db2.gz CKIOHWMCJQICIS-SFHVURJKSA-N 1 1 430.524 1.640 50 0 IDAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3cnccn3)c2)CC1 ZINC000011879819 556372245 /nfs/dbraw/zinc/37/22/45/556372245.db2.gz ROUKPMXPFZQBRY-NRFANRHFSA-N 1 1 428.533 1.434 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000012003169 556386046 /nfs/dbraw/zinc/38/60/46/556386046.db2.gz KPLBUOYQQUMWJG-NRFANRHFSA-N 1 1 436.560 1.339 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000012003169 556386051 /nfs/dbraw/zinc/38/60/51/556386051.db2.gz KPLBUOYQQUMWJG-NRFANRHFSA-N 1 1 436.560 1.339 50 0 IDAAMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000014245907 556405781 /nfs/dbraw/zinc/40/57/81/556405781.db2.gz SQXNYYZLCLLHGF-KRWDZBQOSA-N 1 1 437.562 1.183 50 0 IDAAMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000032824278 556409263 /nfs/dbraw/zinc/40/92/63/556409263.db2.gz VIMHXKJDNDIGNH-UHFFFAOYSA-N 1 1 446.573 1.083 50 0 IDAAMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000032824278 556409265 /nfs/dbraw/zinc/40/92/65/556409265.db2.gz VIMHXKJDNDIGNH-UHFFFAOYSA-N 1 1 446.573 1.083 50 0 IDAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000072272930 556445780 /nfs/dbraw/zinc/44/57/80/556445780.db2.gz XQWKUYPBRVWAEF-DYESRHJHSA-N 1 1 434.581 1.458 50 0 IDAAMO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C(C)C)c1 ZINC000072272932 556445978 /nfs/dbraw/zinc/44/59/78/556445978.db2.gz XQWKUYPBRVWAEF-LAUBAEHRSA-N 1 1 434.581 1.458 50 0 IDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000014879886 556453244 /nfs/dbraw/zinc/45/32/44/556453244.db2.gz SDOHZFARJPHOOE-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1OC ZINC000014880516 556453383 /nfs/dbraw/zinc/45/33/83/556453383.db2.gz WKNJKKABQQEAKZ-LJQANCHMSA-N 1 1 437.566 1.600 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000014944993 556459939 /nfs/dbraw/zinc/45/99/39/556459939.db2.gz HUDGZKHOKLTZCH-LONFEIEESA-N 1 1 435.411 1.986 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000014944993 556459941 /nfs/dbraw/zinc/45/99/41/556459941.db2.gz HUDGZKHOKLTZCH-LONFEIEESA-N 1 1 435.411 1.986 50 0 IDAAMO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCn3cccn3)c2)CC1 ZINC000014949413 556460216 /nfs/dbraw/zinc/46/02/16/556460216.db2.gz YJHXPEYRPQHUBR-NRFANRHFSA-N 1 1 430.549 1.688 50 0 IDAAMO NS(=O)(=O)c1cccc(NC(=O)CCN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000028883752 556463162 /nfs/dbraw/zinc/46/31/62/556463162.db2.gz GXIPLAHINPCUKE-UHFFFAOYSA-N 1 1 432.546 1.359 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)C2CCCCC2)cc1OC ZINC000013116863 556469009 /nfs/dbraw/zinc/46/90/09/556469009.db2.gz CEUAMVKLZKXPTC-UHFFFAOYSA-N 1 1 439.578 1.801 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+]([C@H](C)CCn1cccn1)CC2 ZINC000014986923 556472984 /nfs/dbraw/zinc/47/29/84/556472984.db2.gz BOTDTDJRPICBFD-QGZVFWFLSA-N 1 1 439.516 1.913 50 0 IDAAMO C[C@H](CNC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000072294486 556508007 /nfs/dbraw/zinc/50/80/07/556508007.db2.gz JQHJDEHVDMZRGK-WIYYLYMNSA-N 1 1 434.540 1.832 50 0 IDAAMO CN(C)C(=O)CSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1 ZINC000015414121 556526376 /nfs/dbraw/zinc/52/63/76/556526376.db2.gz MFHDYEAKFRYINW-UHFFFAOYSA-N 1 1 429.571 1.932 50 0 IDAAMO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)C1=O ZINC000013624071 556536528 /nfs/dbraw/zinc/53/65/28/556536528.db2.gz PLBGGYHBAOLZIC-XJKSGUPXSA-N 1 1 437.338 1.573 50 0 IDAAMO O=S(=O)(CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015868950 556559732 /nfs/dbraw/zinc/55/97/32/556559732.db2.gz JHZVXYMUKYSBLV-UHFFFAOYSA-N 1 1 433.571 1.384 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2cccs2)cc1C ZINC000015885412 556561227 /nfs/dbraw/zinc/56/12/27/556561227.db2.gz POMJDNSJDWHSKX-SJLPKXTDSA-N 1 1 429.585 1.837 50 0 IDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016010077 556573906 /nfs/dbraw/zinc/57/39/06/556573906.db2.gz PSLFARPWFHKJMQ-RPWDQDSNSA-N 1 1 444.919 1.577 50 0 IDAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000016013083 556574313 /nfs/dbraw/zinc/57/43/13/556574313.db2.gz HJZSLJCUWMONSV-PBWVOLNLSA-N 1 1 438.871 1.136 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016033981 556577029 /nfs/dbraw/zinc/57/70/29/556577029.db2.gz BBRJAESPJYCZMT-CFXBOMGRSA-N 1 1 427.407 1.266 50 0 IDAAMO CCN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016044019 556578592 /nfs/dbraw/zinc/57/85/92/556578592.db2.gz OWKVRNUIKUPXCH-UHFFFAOYSA-N 1 1 433.512 1.578 50 0 IDAAMO CCN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016044019 556578594 /nfs/dbraw/zinc/57/85/94/556578594.db2.gz OWKVRNUIKUPXCH-UHFFFAOYSA-N 1 1 433.512 1.578 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032995309 556610414 /nfs/dbraw/zinc/61/04/14/556610414.db2.gz VCGGJWGNCHSMPH-UHFFFAOYSA-N 1 1 430.578 1.867 50 0 IDAAMO O=S(=O)(NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000032929521 556671945 /nfs/dbraw/zinc/67/19/45/556671945.db2.gz JZACLIPDKLHEPZ-GFCCVEGCSA-N 1 1 428.407 1.987 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966796 556688968 /nfs/dbraw/zinc/68/89/68/556688968.db2.gz IZEOGQRUXOOHDV-NRFANRHFSA-N 1 1 429.565 1.393 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966796 556688969 /nfs/dbraw/zinc/68/89/69/556688969.db2.gz IZEOGQRUXOOHDV-NRFANRHFSA-N 1 1 429.565 1.393 50 0 IDAAMO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC)C1=O ZINC000139086162 556721175 /nfs/dbraw/zinc/72/11/75/556721175.db2.gz PLBGGYHBAOLZIC-CJNGLKHVSA-N 1 1 437.338 1.573 50 0 IDAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000019299924 556734938 /nfs/dbraw/zinc/73/49/38/556734938.db2.gz UXPZKQNFJVGRBL-MRXNPFEDSA-N 1 1 441.532 1.727 50 0 IDAAMO O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000206238212 556749308 /nfs/dbraw/zinc/74/93/08/556749308.db2.gz SZSIDDMMRAUSMM-OAQYLSRUSA-N 1 1 435.528 1.322 50 0 IDAAMO CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000057996069 556751603 /nfs/dbraw/zinc/75/16/03/556751603.db2.gz MTRKYYQFTDOGKF-FQEVSTJZSA-N 1 1 439.541 1.969 50 0 IDAAMO O=C([C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1)N1CCN(c2ncccn2)CC1 ZINC000062022929 556766231 /nfs/dbraw/zinc/76/62/31/556766231.db2.gz KTBKEBLYFLAFQF-SFHVURJKSA-N 1 1 434.504 1.482 50 0 IDAAMO O=C([C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1)N1CCN(c2ncccn2)CC1 ZINC000062022929 556766235 /nfs/dbraw/zinc/76/62/35/556766235.db2.gz KTBKEBLYFLAFQF-SFHVURJKSA-N 1 1 434.504 1.482 50 0 IDAAMO CN1CCN(S(=O)(=O)CC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000058420961 556787387 /nfs/dbraw/zinc/78/73/87/556787387.db2.gz RHLNOSPPWWLTLG-GOSISDBHSA-N 1 1 428.986 1.170 50 0 IDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)CC1 ZINC000019643915 556838816 /nfs/dbraw/zinc/83/88/16/556838816.db2.gz IYPGURMRHCFAJT-HXUWFJFHSA-N 1 1 445.589 1.474 50 0 IDAAMO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000067604662 556843935 /nfs/dbraw/zinc/84/39/35/556843935.db2.gz PSFQZFPWMKEYOQ-UHFFFAOYSA-N 1 1 428.518 1.799 50 0 IDAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000019691313 556846843 /nfs/dbraw/zinc/84/68/43/556846843.db2.gz VTAGGZGUPOEWPD-UHFFFAOYSA-N 1 1 445.541 1.568 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1C ZINC000072115818 556897880 /nfs/dbraw/zinc/89/78/80/556897880.db2.gz RBZGVUBHKKGAOA-UHFFFAOYSA-N 1 1 430.578 1.356 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019836344 556927917 /nfs/dbraw/zinc/92/79/17/556927917.db2.gz JMLFECXMVYSTNE-GOSISDBHSA-N 1 1 429.521 1.191 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019839367 556929178 /nfs/dbraw/zinc/92/91/78/556929178.db2.gz HZOBYGSYNHHCTK-UHFFFAOYSA-N 1 1 441.463 1.676 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019839367 556929180 /nfs/dbraw/zinc/92/91/80/556929180.db2.gz HZOBYGSYNHHCTK-UHFFFAOYSA-N 1 1 441.463 1.676 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860579 556932864 /nfs/dbraw/zinc/93/28/64/556932864.db2.gz AJWITZYPJZNZAC-SFHVURJKSA-N 1 1 443.997 1.720 50 0 IDAAMO Cc1ncn(-c2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)[nH+]c(C)n2)c1C ZINC000072446856 556973506 /nfs/dbraw/zinc/97/35/06/556973506.db2.gz DLWWGJXRIFBVCB-UHFFFAOYSA-N 1 1 433.516 1.666 50 0 IDAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198377 556997557 /nfs/dbraw/zinc/99/75/57/556997557.db2.gz AHVSAGISFNVUIQ-MRXNPFEDSA-N 1 1 430.515 1.761 50 0 IDAAMO C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048302495 557063634 /nfs/dbraw/zinc/06/36/34/557063634.db2.gz KULHQTZOBFRAEZ-JSGCOSHPSA-N 1 1 437.616 1.987 50 0 IDAAMO C[C@@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048302494 557063708 /nfs/dbraw/zinc/06/37/08/557063708.db2.gz KULHQTZOBFRAEZ-TZMCWYRMSA-N 1 1 437.616 1.987 50 0 IDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@@H](C)O1 ZINC000023113489 557064081 /nfs/dbraw/zinc/06/40/81/557064081.db2.gz WCBJNPWTDHKEBU-QZTJIDSGSA-N 1 1 428.533 1.940 50 0 IDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@H](C)O1 ZINC000023113491 557064096 /nfs/dbraw/zinc/06/40/96/557064096.db2.gz WCBJNPWTDHKEBU-ROUUACIJSA-N 1 1 428.533 1.940 50 0 IDAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)ccc1OC ZINC000023128839 557065865 /nfs/dbraw/zinc/06/58/65/557065865.db2.gz VBBFJSDCANRPDZ-INIZCTEOSA-N 1 1 431.537 1.957 50 0 IDAAMO O=C(CSc1nnnn1-c1ccc(O)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023881823 557122567 /nfs/dbraw/zinc/12/25/67/557122567.db2.gz RQMDASBSUXUEIF-UHFFFAOYSA-N 1 1 440.529 1.609 50 0 IDAAMO NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000025607227 557218768 /nfs/dbraw/zinc/21/87/68/557218768.db2.gz NMTSAGMJNGXCQJ-ROUUACIJSA-N 1 1 436.940 1.027 50 0 IDAAMO Cc1nn(C)c(C)c1CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)C1CC1 ZINC000014962459 557228875 /nfs/dbraw/zinc/22/88/75/557228875.db2.gz PSTQRLODHDELQZ-QHCPKHFHSA-N 1 1 435.572 1.886 50 0 IDAAMO Cc1nn(C)c(C)c1CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)C1CC1 ZINC000014962459 557228880 /nfs/dbraw/zinc/22/88/80/557228880.db2.gz PSTQRLODHDELQZ-QHCPKHFHSA-N 1 1 435.572 1.886 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131451 557325470 /nfs/dbraw/zinc/32/54/70/557325470.db2.gz QOVHPNBYXRYPAR-UHFFFAOYSA-N 1 1 448.010 1.530 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000223233468 557449165 /nfs/dbraw/zinc/44/91/65/557449165.db2.gz REEHNPYPCPJVNR-IAGOWNOFSA-N 1 1 432.521 1.505 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105345469 557495394 /nfs/dbraw/zinc/49/53/94/557495394.db2.gz PWWIMLJAYVPOBC-MPHVSXRFSA-N 1 1 443.862 1.781 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000105380500 557496903 /nfs/dbraw/zinc/49/69/03/557496903.db2.gz OKERUZQAHHXNIF-WKEQEPPJSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000105377552 557497061 /nfs/dbraw/zinc/49/70/61/557497061.db2.gz DUCJOSYWMDPMOJ-XYCWUBKJSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)C1 ZINC000045945427 557553814 /nfs/dbraw/zinc/55/38/14/557553814.db2.gz PJSPGWVIVCFUJC-QZTJIDSGSA-N 1 1 442.651 1.539 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)c(C)c1 ZINC000045945317 557554035 /nfs/dbraw/zinc/55/40/35/557554035.db2.gz BNROVLJMJGPEHC-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCCC2)c1 ZINC000045945306 557554043 /nfs/dbraw/zinc/55/40/43/557554043.db2.gz ZFTKLFIDKQTISO-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO C[C@@H]1C[C@@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2ccccc2)C1 ZINC000045945404 557554071 /nfs/dbraw/zinc/55/40/71/557554071.db2.gz CMLVZGJKMVGNKO-WOJBJXKFSA-N 1 1 436.622 1.477 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCN2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974755 557556591 /nfs/dbraw/zinc/55/65/91/557556591.db2.gz ZDNZEJQGHMQTDD-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCN2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974757 557556689 /nfs/dbraw/zinc/55/66/89/557556689.db2.gz WMMDFNINVZMBGP-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCN(c2ccccc2)CC1 ZINC000225519296 557734629 /nfs/dbraw/zinc/73/46/29/557734629.db2.gz KKFJWMKEEYBRGB-UHFFFAOYSA-N 1 1 430.574 1.594 50 0 IDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000013574167 557836329 /nfs/dbraw/zinc/83/63/29/557836329.db2.gz UXKZVKPESZJUQE-UEKNLZFZSA-N 1 1 436.306 1.350 50 0 IDAAMO COC(=O)C1(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170952 557846192 /nfs/dbraw/zinc/84/61/92/557846192.db2.gz KDBWAJVOTHJVRM-HZPDHXFCSA-N 1 1 438.546 1.146 50 0 IDAAMO O=C(C[N@H+]1CCC12CCOCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000241316790 557846199 /nfs/dbraw/zinc/84/61/99/557846199.db2.gz LUXURAQBLOIAJV-UHFFFAOYSA-N 1 1 433.983 1.489 50 0 IDAAMO CC[NH+]1CCN(C(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc32)CC1 ZINC000020107281 563023577 /nfs/dbraw/zinc/02/35/77/563023577.db2.gz KLSVNLODXAFNCH-UHFFFAOYSA-N 1 1 449.511 1.288 50 0 IDAAMO C[C@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288234 563024349 /nfs/dbraw/zinc/02/43/49/563024349.db2.gz ONSRSVXXFYQFPE-RXVVDRJESA-N 1 1 442.585 1.975 50 0 IDAAMO C[C@H](NC(=O)C(=O)N1CCOCC1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288229 563024376 /nfs/dbraw/zinc/02/43/76/563024376.db2.gz ONSRSVXXFYQFPE-GHTZIAJQSA-N 1 1 442.585 1.975 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@H+](Cc1cc(C)ccc1C)CC2 ZINC000299759751 568755715 /nfs/dbraw/zinc/75/57/15/568755715.db2.gz OUFAYXLFRDJCJX-UHFFFAOYSA-N 1 1 438.572 1.920 50 0 IDAAMO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263617519 568777331 /nfs/dbraw/zinc/77/73/31/568777331.db2.gz OEDCDBRDPDDVKH-LJQANCHMSA-N 1 1 429.477 1.411 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000015671299 568802629 /nfs/dbraw/zinc/80/26/29/568802629.db2.gz QLAISDJHOBDNFI-UHFFFAOYSA-N 1 1 431.562 1.749 50 0 IDAAMO O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015772580 568822843 /nfs/dbraw/zinc/82/28/43/568822843.db2.gz LSNPVYZPTIFXNI-UHFFFAOYSA-N 1 1 428.496 1.902 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000022934789 568837050 /nfs/dbraw/zinc/83/70/50/568837050.db2.gz DFZLCZHNGJSWGH-UHFFFAOYSA-N 1 1 428.986 1.492 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968487 568861176 /nfs/dbraw/zinc/86/11/76/568861176.db2.gz TYWOLZGGOZTIIF-SZAHKIGCSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016032932 568867584 /nfs/dbraw/zinc/86/75/84/568867584.db2.gz OKERUZQAHHXNIF-NNYLJVSSSA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO Cc1cccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3C)c2=O)c1 ZINC000036087024 568949445 /nfs/dbraw/zinc/94/94/45/568949445.db2.gz GQDYSYYHPJFDQU-UHFFFAOYSA-N 1 1 433.512 1.447 50 0 IDAAMO CCn1c2c(C(=O)NC[C@@H]3CCCO3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064835857 568968996 /nfs/dbraw/zinc/96/89/96/568968996.db2.gz LBADFSSVVKVLDJ-SFHVURJKSA-N 1 1 435.528 1.983 50 0 IDAAMO Cn1c2c(C(=O)NCC[NH+]3CCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836049 568969117 /nfs/dbraw/zinc/96/91/17/568969117.db2.gz JCJOAWQXVXHVKQ-UHFFFAOYSA-N 1 1 434.544 1.417 50 0 IDAAMO CC[NH+]1CCN(C(=O)CCn2cnc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 ZINC000064889142 568980201 /nfs/dbraw/zinc/98/02/01/568980201.db2.gz XYQRRYGAQLTPHQ-UHFFFAOYSA-N 1 1 433.578 1.765 50 0 IDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000065061442 569096429 /nfs/dbraw/zinc/09/64/29/569096429.db2.gz SPOZXYFGPYMTHB-OAHLLOKOSA-N 1 1 442.582 1.167 50 0 IDAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCC[N@@H+](C)CC4)c3)nc2)C1 ZINC000065254365 569122680 /nfs/dbraw/zinc/12/26/80/569122680.db2.gz CPDDLDLOHHVKQY-QGZVFWFLSA-N 1 1 446.577 1.466 50 0 IDAAMO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)sc2n1 ZINC000037009186 569139622 /nfs/dbraw/zinc/13/96/22/569139622.db2.gz NDTWVKMOYUXMHI-RDJZCZTQSA-N 1 1 432.594 1.914 50 0 IDAAMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(=O)N(C)C ZINC000089702545 569161782 /nfs/dbraw/zinc/16/17/82/569161782.db2.gz KOUNZTKREBSMMS-SFHVURJKSA-N 1 1 426.521 1.172 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000037409820 569195405 /nfs/dbraw/zinc/19/54/05/569195405.db2.gz JZVHDEAURCVOLW-ZHRRBRCNSA-N 1 1 432.569 1.104 50 0 IDAAMO CC(C)C[NH+]1CCN([C@@H]2CCOC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819813 569211583 /nfs/dbraw/zinc/21/15/83/569211583.db2.gz MLHBTWRUQDJORB-LJQANCHMSA-N 1 1 439.626 1.396 50 0 IDAAMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000002248399 569214674 /nfs/dbraw/zinc/21/46/74/569214674.db2.gz VRBUFKZPOCIFIR-UHFFFAOYSA-N 1 1 433.461 1.749 50 0 IDAAMO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000253529911 569283811 /nfs/dbraw/zinc/28/38/11/569283811.db2.gz GHPGYLQPBJKRLB-CGXNFDGLSA-N 1 1 440.588 1.955 50 0 IDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000009434238 569296357 /nfs/dbraw/zinc/29/63/57/569296357.db2.gz ZZOWJYPAQBCJJE-UHFFFAOYSA-N 1 1 437.331 1.541 50 0 IDAAMO 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1.285 50 0 IDAAMO Cc1cc(CN2CCN(CC(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)CC2)no1 ZINC000022804964 524693627 /nfs/dbraw/zinc/69/36/27/524693627.db2.gz XYSKJNKXUHAUOY-UHFFFAOYSA-N 1 1 427.549 1.249 50 0 IDAAMO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795288 524857795 /nfs/dbraw/zinc/85/77/95/524857795.db2.gz VYERCAXMBUJCAM-UHFFFAOYSA-N 1 1 442.520 1.993 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000012690145 525035685 /nfs/dbraw/zinc/03/56/85/525035685.db2.gz DIFMDFSKQAXVOT-OAQYLSRUSA-N 1 1 446.573 1.704 50 0 IDAAMO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCC[NH+]2CCOCC2)C(=O)[C@]31C ZINC000020609781 525483747 /nfs/dbraw/zinc/48/37/47/525483747.db2.gz HKURDXBJODMVAR-QHCPKHFHSA-N 1 1 426.517 1.341 50 0 biogenic IDAAMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000015868821 525511636 /nfs/dbraw/zinc/51/16/36/525511636.db2.gz RTULSDGDNOXQCX-UHFFFAOYSA-N 1 1 443.635 1.944 50 0 IDAAMO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021532590 525661496 /nfs/dbraw/zinc/66/14/96/525661496.db2.gz NMAYSAMFDWGGLE-UHFFFAOYSA-N 1 1 444.967 1.828 50 0 IDAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1OC ZINC000020998989 525954197 /nfs/dbraw/zinc/95/41/97/525954197.db2.gz ZHDQYEGNEFFYGI-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012689863 526306537 /nfs/dbraw/zinc/30/65/37/526306537.db2.gz CCKZSNJRRYSXEA-SFHVURJKSA-N 1 1 446.573 1.392 50 0 IDAAMO Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCC[N@H+]2CCCc2ccccc2)s1 ZINC000012612065 526383674 /nfs/dbraw/zinc/38/36/74/526383674.db2.gz POSXEASXOJAEBG-KRWDZBQOSA-N 1 1 433.603 1.878 50 0 IDAAMO Cc1nnc(SCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CCCc2ccccc2)s1 ZINC000012612065 526383679 /nfs/dbraw/zinc/38/36/79/526383679.db2.gz POSXEASXOJAEBG-KRWDZBQOSA-N 1 1 433.603 1.878 50 0 IDAAMO NC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CCOc3ccccc3)CC1)CCC2 ZINC000022792067 527021587 /nfs/dbraw/zinc/02/15/87/527021587.db2.gz WJNZKERSTDPLBB-UHFFFAOYSA-N 1 1 428.558 1.971 50 0 IDAAMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000091402257 527280375 /nfs/dbraw/zinc/28/03/75/527280375.db2.gz BTJGSXUKFBXNIP-UHFFFAOYSA-N 1 1 431.518 1.359 50 0 IDAAMO Cn1cccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000021151968 527407792 /nfs/dbraw/zinc/40/77/92/527407792.db2.gz OTHLUSVBCPMXAO-QFIPXVFZSA-N 1 1 444.601 1.912 50 0 IDAAMO Cn1cccc1[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000021151968 527407798 /nfs/dbraw/zinc/40/77/98/527407798.db2.gz OTHLUSVBCPMXAO-QFIPXVFZSA-N 1 1 444.601 1.912 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2ccccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000035893757 527670616 /nfs/dbraw/zinc/67/06/16/527670616.db2.gz HEJOCFWGJPBAMR-IFMALSPDSA-N 1 1 436.560 1.183 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000035506871 527671750 /nfs/dbraw/zinc/67/17/50/527671750.db2.gz RJNNCJDNZPJWRY-UHFFFAOYSA-N 1 1 429.496 1.520 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423311 527672530 /nfs/dbraw/zinc/67/25/30/527672530.db2.gz WBEJEPFLDMZFMQ-UHFFFAOYSA-N 1 1 435.484 1.743 50 0 IDAAMO C[N@@H+](CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000000596731 555510752 /nfs/dbraw/zinc/51/07/52/555510752.db2.gz IXTMWRCNAAVVAI-UHFFFAOYSA-N 1 1 441.575 1.983 50 0 fda IDAAMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022924990 556342418 /nfs/dbraw/zinc/34/24/18/556342418.db2.gz JXDUMSIACXLSOR-HXUWFJFHSA-N 1 1 429.609 1.646 50 0 IDAAMO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022924990 556342421 /nfs/dbraw/zinc/34/24/21/556342421.db2.gz JXDUMSIACXLSOR-HXUWFJFHSA-N 1 1 429.609 1.646 50 0 IDAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000011783965 556352164 /nfs/dbraw/zinc/35/21/64/556352164.db2.gz CPMMRMYVFCAMBV-NRFANRHFSA-N 1 1 431.537 1.813 50 0 IDAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3cnccn3)cc2)CC1 ZINC000011874855 556370605 /nfs/dbraw/zinc/37/06/05/556370605.db2.gz JVBLRJGSULENSR-NRFANRHFSA-N 1 1 428.533 1.434 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC ZINC000011997481 556384710 /nfs/dbraw/zinc/38/47/10/556384710.db2.gz OZUPFMQBXVKHCC-INIZCTEOSA-N 1 1 443.548 1.957 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000012003179 556385941 /nfs/dbraw/zinc/38/59/41/556385941.db2.gz KPLBUOYQQUMWJG-OAQYLSRUSA-N 1 1 436.560 1.339 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000012003179 556385943 /nfs/dbraw/zinc/38/59/43/556385943.db2.gz KPLBUOYQQUMWJG-OAQYLSRUSA-N 1 1 436.560 1.339 50 0 IDAAMO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022937189 556457873 /nfs/dbraw/zinc/45/78/73/556457873.db2.gz JLTCVFAOYPISGI-HXUWFJFHSA-N 1 1 438.576 1.641 50 0 IDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000014965394 556465336 /nfs/dbraw/zinc/46/53/36/556465336.db2.gz SIBXKMDEJZXJFM-IBGZPJMESA-N 1 1 437.566 1.600 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000014991405 556474986 /nfs/dbraw/zinc/47/49/86/556474986.db2.gz PNBVENXMMFXJFH-LJQANCHMSA-N 1 1 429.521 1.191 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000014991405 556474987 /nfs/dbraw/zinc/47/49/87/556474987.db2.gz PNBVENXMMFXJFH-LJQANCHMSA-N 1 1 429.521 1.191 50 0 IDAAMO CCN(C(=O)C[N@H+](C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134343 556482365 /nfs/dbraw/zinc/48/23/65/556482365.db2.gz LQHIYRFPEYNNFN-UHFFFAOYSA-N 1 1 439.491 1.791 50 0 IDAAMO CCN(C(=O)C[N@@H+](C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013134343 556482367 /nfs/dbraw/zinc/48/23/67/556482367.db2.gz LQHIYRFPEYNNFN-UHFFFAOYSA-N 1 1 439.491 1.791 50 0 IDAAMO CCc1ccc(C[N@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000013134601 556482587 /nfs/dbraw/zinc/48/25/87/556482587.db2.gz FQRIZVMEYDXUMP-UHFFFAOYSA-N 1 1 435.528 1.824 50 0 IDAAMO CCc1ccc(C[N@@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000013134601 556482591 /nfs/dbraw/zinc/48/25/91/556482591.db2.gz FQRIZVMEYDXUMP-UHFFFAOYSA-N 1 1 435.528 1.824 50 0 IDAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013164838 556497284 /nfs/dbraw/zinc/49/72/84/556497284.db2.gz CILFDNYXBGUAEY-HXUWFJFHSA-N 1 1 434.537 1.834 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)c1 ZINC000033318415 556560927 /nfs/dbraw/zinc/56/09/27/556560927.db2.gz JJLBWALYZIIUQC-UHFFFAOYSA-N 1 1 431.562 1.749 50 0 IDAAMO CC(C)CN(C(=O)C[N@@H+]1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034875413 556585362 /nfs/dbraw/zinc/58/53/62/556585362.db2.gz JSBNMLGWVXNSCW-UHFFFAOYSA-N 1 1 427.549 1.822 50 0 IDAAMO CC(C)CN(C(=O)C[N@H+]1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034875413 556585364 /nfs/dbraw/zinc/58/53/64/556585364.db2.gz JSBNMLGWVXNSCW-UHFFFAOYSA-N 1 1 427.549 1.822 50 0 IDAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413141 556640475 /nfs/dbraw/zinc/64/04/75/556640475.db2.gz DKZSICJNZLBYGL-PXNSSMCTSA-N 1 1 428.533 1.842 50 0 biogenic IDAAMO O=C(CN1CC[NH+](CCC(=O)N2CCOCC2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000032932815 556676085 /nfs/dbraw/zinc/67/60/85/556676085.db2.gz WJTIZYHUKPELIK-UHFFFAOYSA-N 1 1 444.454 1.390 50 0 IDAAMO Cc1ccc(CC(=O)N(CCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046140871 556691717 /nfs/dbraw/zinc/69/17/17/556691717.db2.gz SFPGOKIPHIJPTL-UHFFFAOYSA-N 1 1 429.586 1.844 50 0 IDAAMO Cc1cc(Br)ccc1NC(=O)CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000058304846 556778594 /nfs/dbraw/zinc/77/85/94/556778594.db2.gz VMDVZUDCEUKQBH-UHFFFAOYSA-N 1 1 440.342 1.159 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC000019589736 556824566 /nfs/dbraw/zinc/82/45/66/556824566.db2.gz RRUXSVNGAYQZMP-UHFFFAOYSA-N 1 1 433.530 1.673 50 0 IDAAMO COc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc(OC)c1 ZINC000019743494 556888193 /nfs/dbraw/zinc/88/81/93/556888193.db2.gz LWSHTGDIBAQWSC-IBGZPJMESA-N 1 1 429.521 1.191 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)ncn2)CC1 ZINC000072119204 556898366 /nfs/dbraw/zinc/89/83/66/556898366.db2.gz PPXZMVJAXYUNRB-UHFFFAOYSA-N 1 1 438.504 1.018 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncn2)CC1 ZINC000072119366 556898385 /nfs/dbraw/zinc/89/83/85/556898385.db2.gz WKGVDPYUQIRULG-UHFFFAOYSA-N 1 1 436.969 1.393 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)NC(=O)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000019880042 556936865 /nfs/dbraw/zinc/93/68/65/556936865.db2.gz SVPBWSYMIADECE-UHFFFAOYSA-N 1 1 426.521 1.394 50 0 IDAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000072437524 556972737 /nfs/dbraw/zinc/97/27/37/556972737.db2.gz AIJGKEGDIWYPRZ-UHFFFAOYSA-N 1 1 430.534 1.546 50 0 IDAAMO COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020112381 556986608 /nfs/dbraw/zinc/98/66/08/556986608.db2.gz NNTPGKNNWWTCDH-QHCPKHFHSA-N 1 1 440.500 1.731 50 0 IDAAMO COc1ccc(C[N@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000022920023 557047022 /nfs/dbraw/zinc/04/70/22/557047022.db2.gz HJIDSWWKNINUBO-OAQYLSRUSA-N 1 1 445.608 1.697 50 0 IDAAMO COc1ccc(C[N@@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000022920023 557047025 /nfs/dbraw/zinc/04/70/25/557047025.db2.gz HJIDSWWKNINUBO-OAQYLSRUSA-N 1 1 445.608 1.697 50 0 IDAAMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022922256 557047800 /nfs/dbraw/zinc/04/78/00/557047800.db2.gz VOSPIVDKBBNPDD-IBGZPJMESA-N 1 1 428.485 1.759 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)c1 ZINC000033275416 557054559 /nfs/dbraw/zinc/05/45/59/557054559.db2.gz XMOJJFTTZLJESE-UHFFFAOYSA-N 1 1 448.545 1.616 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@@H+]1C ZINC000023129567 557066206 /nfs/dbraw/zinc/06/62/06/557066206.db2.gz DLOLNVACXGYWQT-XDHUDOTRSA-N 1 1 438.503 1.970 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@H+]1C ZINC000023129567 557066210 /nfs/dbraw/zinc/06/62/10/557066210.db2.gz DLOLNVACXGYWQT-XDHUDOTRSA-N 1 1 438.503 1.970 50 0 IDAAMO COc1ccccc1-n1nnnc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023819175 557118736 /nfs/dbraw/zinc/11/87/36/557118736.db2.gz JDTNJHAIRPTLCM-UHFFFAOYSA-N 1 1 446.577 1.914 50 0 IDAAMO O=C(CN1CCN(C(=O)c2ccccc2)CC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572545 557151521 /nfs/dbraw/zinc/15/15/21/557151521.db2.gz FHCNATDTHJVBMO-UHFFFAOYSA-N 1 1 436.556 1.593 50 0 IDAAMO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCC[NH+]1CCOCC1 ZINC000024608131 557153980 /nfs/dbraw/zinc/15/39/80/557153980.db2.gz JAMCTIFKUFKKDT-UHFFFAOYSA-N 1 1 433.505 1.840 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000027689237 557271719 /nfs/dbraw/zinc/27/17/19/557271719.db2.gz JHIRGTHWBQBOBE-UHFFFAOYSA-N 1 1 429.970 1.967 50 0 IDAAMO O=C(CSc1nnnn1-c1ccc(O)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014239127 557328039 /nfs/dbraw/zinc/32/80/39/557328039.db2.gz DSKXVDIXXXGXNB-UHFFFAOYSA-N 1 1 432.550 1.611 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913746 557337799 /nfs/dbraw/zinc/33/77/99/557337799.db2.gz KSQBJQBUSNNORM-SMTRIPRVSA-N 1 1 447.491 1.589 50 0 IDAAMO COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000107913756 557337827 /nfs/dbraw/zinc/33/78/27/557337827.db2.gz XNXNWJFYULHZJU-SMTRIPRVSA-N 1 1 447.491 1.589 50 0 IDAAMO C[C@H](OC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014675872 557449238 /nfs/dbraw/zinc/44/92/38/557449238.db2.gz LHFLFMOKNBVBDT-SFHVURJKSA-N 1 1 449.507 1.949 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105346766 557495462 /nfs/dbraw/zinc/49/54/62/557495462.db2.gz OJBPQRSSQGMMPR-SUCPGFJNSA-N 1 1 437.471 1.744 50 0 IDAAMO C[C@H]1CCC[C@H](C)[NH+]1CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccccc1 ZINC000045945495 557553925 /nfs/dbraw/zinc/55/39/25/557553925.db2.gz NQLKIRURRVSINS-PMACEKPBSA-N 1 1 436.622 1.762 50 0 IDAAMO C[C@H]1C[C@H](C)C[NH+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)C1 ZINC000045945424 557553938 /nfs/dbraw/zinc/55/39/38/557553938.db2.gz PJSPGWVIVCFUJC-ROUUACIJSA-N 1 1 442.651 1.539 50 0 IDAAMO C[NH+]1CCN(C(=O)C2CCN(c3c(Br)cccc3S(C)(=O)=O)CC2)CC1 ZINC000225817480 557780599 /nfs/dbraw/zinc/78/05/99/557780599.db2.gz FEEJNUWUUDQQDR-UHFFFAOYSA-N 1 1 444.395 1.843 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1 ZINC000004115595 562942198 /nfs/dbraw/zinc/94/21/98/562942198.db2.gz HROCBIHWAKTJDV-KDURUIRLSA-N 1 1 428.643 1.913 50 0 IDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009765492 562976708 /nfs/dbraw/zinc/97/67/08/562976708.db2.gz RJCYLWLSJYTKKN-HXUWFJFHSA-N 1 1 429.542 1.712 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000020117010 563023812 /nfs/dbraw/zinc/02/38/12/563023812.db2.gz JGUHPSSPZBYNHV-UHFFFAOYSA-N 1 1 449.555 1.300 50 0 IDAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3cccnc3)cc2OC)CC1 ZINC000023374820 568613670 /nfs/dbraw/zinc/61/36/70/568613670.db2.gz DJTLUMCXBDFUKX-JOCHJYFZSA-N 1 1 428.577 1.800 50 0 IDAAMO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000084286938 568796650 /nfs/dbraw/zinc/79/66/50/568796650.db2.gz ZPFPBGQXNMGQOF-RHSMWYFYSA-N 1 1 439.482 1.674 50 0 IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3OC)C(=O)[C@H]21 ZINC000015958404 568860359 /nfs/dbraw/zinc/86/03/59/568860359.db2.gz SQGPABFIJDWYSY-DQFFEPAOSA-N 1 1 449.507 1.559 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026191 568864504 /nfs/dbraw/zinc/86/45/04/568864504.db2.gz NOQMWPSDBROJAC-SYSFZUQMSA-N 1 1 432.480 1.099 50 0 biogenic IDAAMO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000245256856 568914206 /nfs/dbraw/zinc/91/42/06/568914206.db2.gz UGQCWTLZVDPDNI-XUTJKUGGSA-N 1 1 444.576 1.178 50 0 IDAAMO Cc1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3ccccc3)c2=O)cc1C ZINC000036086262 568948492 /nfs/dbraw/zinc/94/84/92/568948492.db2.gz FGCOYAPVHNVIPX-UHFFFAOYSA-N 1 1 433.512 1.447 50 0 IDAAMO Cc1cc2c(cc1S(=O)(=O)N1CC[NH+](C3CCCCC3)CC1)n(C)c(=O)c(=O)n2C ZINC000036163026 568967849 /nfs/dbraw/zinc/96/78/49/568967849.db2.gz NMUQMRBZNPADJP-UHFFFAOYSA-N 1 1 434.562 1.185 50 0 IDAAMO Cc1ccccc1CN1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(=O)C1=O ZINC000064888731 568979535 /nfs/dbraw/zinc/97/95/35/568979535.db2.gz QKASOYKFDPIFAO-UHFFFAOYSA-N 1 1 434.540 1.510 50 0 IDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000036390517 569096636 /nfs/dbraw/zinc/09/66/36/569096636.db2.gz ZOBHKIHSBLVDOK-FQEVSTJZSA-N 1 1 428.558 1.873 50 0 IDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894321 569103428 /nfs/dbraw/zinc/10/34/28/569103428.db2.gz OQXOPCSVFMZODY-MOPGFXCFSA-N 1 1 430.615 1.046 50 0 IDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894330 569103465 /nfs/dbraw/zinc/10/34/65/569103465.db2.gz SHOAIAUCXSOOOZ-CEXWTWQISA-N 1 1 430.615 1.045 50 0 IDAAMO C[NH+]1CCN(C(=O)c2ccc(CN3CCN(Cc4ccc(F)cc4)C(=O)C3=O)cc2)CC1 ZINC000065130322 569109158 /nfs/dbraw/zinc/10/91/58/569109158.db2.gz GXKOKPAFOQKPNX-UHFFFAOYSA-N 1 1 438.503 1.584 50 0 IDAAMO CC(C)(C)OC(=O)NCCNC(=O)CC[N@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000170599946 569142608 /nfs/dbraw/zinc/14/26/08/569142608.db2.gz XLSBOMIFFKKLSU-VQTJNVASSA-N 1 1 432.565 1.603 50 0 IDAAMO COC(=O)C(C)(C)NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000170617148 569147190 /nfs/dbraw/zinc/14/71/90/569147190.db2.gz XNOVKDYEGNAJKW-QGZVFWFLSA-N 1 1 427.505 1.645 50 0 IDAAMO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000252513152 569189056 /nfs/dbraw/zinc/18/90/56/569189056.db2.gz XQXIDAKSCBEZAG-VIPLHTEESA-N 1 1 439.578 1.198 50 0 IDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000252548533 569190902 /nfs/dbraw/zinc/19/09/02/569190902.db2.gz QAJQWJNELMAXMI-OAQYLSRUSA-N 1 1 435.528 1.874 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000037448198 569197280 /nfs/dbraw/zinc/19/72/80/569197280.db2.gz QHXZUIGRIJFLNR-AZUAARDMSA-N 1 1 441.576 1.694 50 0 IDAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)cc1S(=O)(=O)N1CCCCC1 ZINC000252669608 569209775 /nfs/dbraw/zinc/20/97/75/569209775.db2.gz IBTNRIZEGJDDLD-DLBZAZTESA-N 1 1 425.551 1.654 50 0 IDAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133546 569256625 /nfs/dbraw/zinc/25/66/25/569256625.db2.gz OCONGDYIXPAZHD-BDSVNUEJSA-N 1 1 431.533 1.849 50 0 IDAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)N3CCCC[C@@H]3C(=O)OC)c(OC)cc(=O)n2CC1 ZINC000012133546 569256626 /nfs/dbraw/zinc/25/66/26/569256626.db2.gz OCONGDYIXPAZHD-BDSVNUEJSA-N 1 1 431.533 1.849 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000223233532 569259084 /nfs/dbraw/zinc/25/90/84/569259084.db2.gz REEHNPYPCPJVNR-DLBZAZTESA-N 1 1 432.521 1.505 50 0 IDAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000253402886 569264971 /nfs/dbraw/zinc/26/49/71/569264971.db2.gz GSMNFSZBNNAADQ-FXAWDEMLSA-N 1 1 425.533 1.236 50 0 biogenic IDAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002293756 569268163 /nfs/dbraw/zinc/26/81/63/569268163.db2.gz BXXLIGFDFOQJBU-UHFFFAOYSA-N 1 1 437.294 1.853 50 0 IDAAMO COc1ccccc1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371862 569315110 /nfs/dbraw/zinc/31/51/10/569315110.db2.gz SKRJLEZOUDTSLB-ICSRJNTNSA-N 1 1 441.546 1.914 50 0 IDAAMO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](CCO)c1ccccc1 ZINC000078950394 569320456 /nfs/dbraw/zinc/32/04/56/569320456.db2.gz CSTZRFODDBYJMV-OAQYLSRUSA-N 1 1 447.557 1.702 50 0 IDAAMO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](CCO)c1ccccc1 ZINC000078950394 569320457 /nfs/dbraw/zinc/32/04/57/569320457.db2.gz CSTZRFODDBYJMV-OAQYLSRUSA-N 1 1 447.557 1.702 50 0 IDAAMO C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1=O ZINC000019797397 569329661 /nfs/dbraw/zinc/32/96/61/569329661.db2.gz JHEOFXARBMUMNS-QGZVFWFLSA-N 1 1 427.526 1.957 50 0 IDAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095404750 569364357 /nfs/dbraw/zinc/36/43/57/569364357.db2.gz CIFQGUKLIULJCB-WOJBJXKFSA-N 1 1 434.606 1.387 50 0 IDAAMO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000095454981 569368518 /nfs/dbraw/zinc/36/85/18/569368518.db2.gz GBENWZOMWXKCCT-INIZCTEOSA-N 1 1 441.573 1.710 50 0 IDAAMO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)cc1 ZINC000225690231 569407128 /nfs/dbraw/zinc/40/71/28/569407128.db2.gz DUCMFZVOFRJBHK-UHFFFAOYSA-N 1 1 441.600 1.607 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000230097292 569436292 /nfs/dbraw/zinc/43/62/92/569436292.db2.gz ITZITJKHTYTWQO-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000230097292 569436293 /nfs/dbraw/zinc/43/62/93/569436293.db2.gz ITZITJKHTYTWQO-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO CC(C)(C)OC(=O)NCCNC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000230242039 569440448 /nfs/dbraw/zinc/44/04/48/569440448.db2.gz XLSBOMIFFKKLSU-UXHICEINSA-N 1 1 432.565 1.603 50 0 IDAAMO Cn1nnc(-c2ccc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)cc2)n1 ZINC000670471869 569464848 /nfs/dbraw/zinc/46/48/48/569464848.db2.gz VXISKJRKQXTGBN-MMPATGFWSA-N 1 1 429.528 1.175 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)CC1 ZINC000067225944 569465208 /nfs/dbraw/zinc/46/52/08/569465208.db2.gz LTRCECZBMNXPHC-UHFFFAOYSA-N 1 1 440.573 1.744 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCCc4cccs4)c(=O)c3s2)CC1 ZINC000067239609 569465711 /nfs/dbraw/zinc/46/57/11/569465711.db2.gz FODZBTBDARIJGN-UHFFFAOYSA-N 1 1 432.575 1.415 50 0 IDAAMO COc1cccc(C[C@H](C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000040120298 569489469 /nfs/dbraw/zinc/48/94/69/569489469.db2.gz MVLCTDLGDCHDFZ-LEWJYISDSA-N 1 1 428.537 1.487 50 0 IDAAMO O=C(CC[N@H+]1CCC[C@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040149660 569492616 /nfs/dbraw/zinc/49/26/16/569492616.db2.gz OXZNYKQGPBSJNC-SFHVURJKSA-N 1 1 438.532 1.993 50 0 IDAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@@H](C)O1 ZINC000040154628 569493847 /nfs/dbraw/zinc/49/38/47/569493847.db2.gz ZNJDLEOFQANBAQ-HUUCEWRRSA-N 1 1 437.587 1.977 50 0 IDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cn2)CC1 ZINC000069811570 569519627 /nfs/dbraw/zinc/51/96/27/569519627.db2.gz LZXWPVOBQMSFLV-UHFFFAOYSA-N 1 1 435.528 1.803 50 0 IDAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O)NC[C@@H]1CCCO1 ZINC000009660778 569556907 /nfs/dbraw/zinc/55/69/07/569556907.db2.gz ZCAGRXWXBCDKNL-KRWDZBQOSA-N 1 1 434.924 1.522 50 0 IDAAMO CCOc1ccccc1NCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000010108858 569577972 /nfs/dbraw/zinc/57/79/72/569577972.db2.gz WHYYZWSULWXHPJ-AWEZNQCLSA-N 1 1 425.493 1.701 50 0 IDAAMO CC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)co2)CC1 ZINC000034677738 569587545 /nfs/dbraw/zinc/58/75/45/569587545.db2.gz QZIAYVDQRJVKIU-FQEVSTJZSA-N 1 1 433.597 1.654 50 0 IDAAMO Cn1c2ccc(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2oc1=O ZINC000002339800 132252505 /nfs/dbraw/zinc/25/25/05/132252505.db2.gz GBAHKDDWCUCHEV-UHFFFAOYSA-N 1 1 430.530 1.622 50 0 IDAAMO CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CC[NH+](C)CC3)c2n1C ZINC000012157245 519459111 /nfs/dbraw/zinc/45/91/11/519459111.db2.gz OHYGLBDNSPZEMN-UHFFFAOYSA-N 1 1 436.582 1.378 50 0 IDAAMO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022466465 519729592 /nfs/dbraw/zinc/72/95/92/519729592.db2.gz BFPJUIZHUGQFPU-HXUWFJFHSA-N 1 1 427.501 1.931 50 0 IDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012930571 519730053 /nfs/dbraw/zinc/73/00/53/519730053.db2.gz ZRPDKVNRRKXEGN-QGZVFWFLSA-N 1 1 442.557 1.198 50 0 IDAAMO CCN(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012650801 520334086 /nfs/dbraw/zinc/33/40/86/520334086.db2.gz GFJMEROPYDJRLZ-UHFFFAOYSA-N 1 1 438.377 1.843 50 0 IDAAMO CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000020664316 521030260 /nfs/dbraw/zinc/03/02/60/521030260.db2.gz YPRPKBBELPSPAY-UHFFFAOYSA-N 1 1 427.542 1.698 50 0 IDAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534321 521653913 /nfs/dbraw/zinc/65/39/13/521653913.db2.gz QLLXAXTTZZSBBU-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(C)cc1C ZINC000021534321 521653917 /nfs/dbraw/zinc/65/39/17/521653917.db2.gz QLLXAXTTZZSBBU-FQEVSTJZSA-N 1 1 436.622 1.600 50 0 IDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000021887789 521663140 /nfs/dbraw/zinc/66/31/40/521663140.db2.gz RGSFINLQHVJJDU-INIZCTEOSA-N 1 1 441.594 1.282 50 0 biogenic IDAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CC)CC3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035967365 521663674 /nfs/dbraw/zinc/66/36/74/521663674.db2.gz VRJPZYWKMAMTCH-QFIPXVFZSA-N 1 1 439.560 1.650 50 0 IDAAMO CC[NH+]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)CC1 ZINC000022768384 521664193 /nfs/dbraw/zinc/66/41/93/521664193.db2.gz JMNAYTFGZWNVNO-INIZCTEOSA-N 1 1 442.520 1.922 50 0 IDAAMO CC[NH+]1CCN(C2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3F)CC2)CC1 ZINC000020773769 521672468 /nfs/dbraw/zinc/67/24/68/521672468.db2.gz XPZSXAKGGBSYNI-QFIPXVFZSA-N 1 1 445.583 1.145 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)CC1 ZINC000020938348 521680649 /nfs/dbraw/zinc/68/06/49/521680649.db2.gz MZSHQNXGAYMOEY-UHFFFAOYSA-N 1 1 438.576 1.886 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(F)ccc4F)c(=O)c3s2)CC1 ZINC000021886424 521700757 /nfs/dbraw/zinc/70/07/57/521700757.db2.gz BHMRRRYLGGXGTR-UHFFFAOYSA-N 1 1 434.472 1.912 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4cccc(OC)c4)c(=O)c3s2)CC1 ZINC000021886470 521700942 /nfs/dbraw/zinc/70/09/42/521700942.db2.gz CCWYESZYIMYFSD-UHFFFAOYSA-N 1 1 442.545 1.320 50 0 IDAAMO COc1cc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCC2)cc(OC)c1OC ZINC000035421510 522062486 /nfs/dbraw/zinc/06/24/86/522062486.db2.gz WHGVHVZVBUYOPV-UHFFFAOYSA-N 1 1 448.564 1.072 50 0 IDAAMO COc1cc(C[N@@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012713818 522349901 /nfs/dbraw/zinc/34/99/01/522349901.db2.gz OCEJWYYZICZTJZ-NRFANRHFSA-N 1 1 432.565 1.712 50 0 IDAAMO COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2cc[nH+]c2C)cc(OC)c1 ZINC000023337878 522387694 /nfs/dbraw/zinc/38/76/94/522387694.db2.gz XTFJHHHGLBUWAF-HXUWFJFHSA-N 1 1 429.521 1.106 50 0 IDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1OC)CC2 ZINC000020780741 522954896 /nfs/dbraw/zinc/95/48/96/522954896.db2.gz MXMDVRTZFCHVTK-INIZCTEOSA-N 1 1 431.537 1.876 50 0 IDAAMO C[N@@H+](C[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000021888522 523054079 /nfs/dbraw/zinc/05/40/79/523054079.db2.gz JLRHDWJPGFJCFO-HNNXBMFYSA-N 1 1 438.575 1.762 50 0 IDAAMO C[N@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813452 /nfs/dbraw/zinc/81/34/52/523813452.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 1 1 430.984 1.990 50 0 IDAAMO C[NH+]1CCN(c2cc(OCCNS(=O)(=O)c3cccc(Cl)c3Cl)ncn2)CC1 ZINC000035598402 523924301 /nfs/dbraw/zinc/92/43/01/523924301.db2.gz BDMGRBYYJRCCOY-UHFFFAOYSA-N 1 1 446.360 1.893 50 0 IDAAMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000242324394 523937748 /nfs/dbraw/zinc/93/77/48/523937748.db2.gz ZAZLUWBMUHIDEM-AQNXPRMDSA-N 1 1 426.941 1.728 50 0 IDAAMO COc1ccc(CCNC(=O)C(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000020287721 523954242 /nfs/dbraw/zinc/95/42/42/523954242.db2.gz CEMMMOHRRJMDMP-DYESRHJHSA-N 1 1 444.601 1.909 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000035363840 524020167 /nfs/dbraw/zinc/02/01/67/524020167.db2.gz JBPHKLSPHJFFQO-SOGHBPRDSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000012334645 524049079 /nfs/dbraw/zinc/04/90/79/524049079.db2.gz HQLVRWDPRGEPKC-ZDUSSCGKSA-N 1 1 428.455 1.949 50 0 IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000035363843 524444365 /nfs/dbraw/zinc/44/43/65/524444365.db2.gz DUCJOSYWMDPMOJ-SOGHBPRDSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]21 ZINC000035374785 524952734 /nfs/dbraw/zinc/95/27/34/524952734.db2.gz DOUIWKYWWJPRLI-LHADNUHPSA-N 1 1 439.899 1.950 50 0 IDAAMO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2)cc1 ZINC000012557288 525298088 /nfs/dbraw/zinc/29/80/88/525298088.db2.gz OXYFKXCFBUNGIJ-UHFFFAOYSA-N 1 1 444.557 1.784 50 0 IDAAMO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCC[N@@H+](C)CC2)nn1 ZINC000012450435 525945869 /nfs/dbraw/zinc/94/58/69/525945869.db2.gz YLDRVWHYKWTFJB-HNNXBMFYSA-N 1 1 434.928 1.293 50 0 IDAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1OC ZINC000020783704 525953633 /nfs/dbraw/zinc/95/36/33/525953633.db2.gz XTAGAVVDLWLNKG-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000020455814 526222752 /nfs/dbraw/zinc/22/27/52/526222752.db2.gz DZEASCRPRDUFAS-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000020455814 526222759 /nfs/dbraw/zinc/22/27/59/526222759.db2.gz DZEASCRPRDUFAS-UHFFFAOYSA-N 1 1 425.489 1.919 50 0 IDAAMO O=C(C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000012689858 526306445 /nfs/dbraw/zinc/30/64/45/526306445.db2.gz CCKZSNJRRYSXEA-GOSISDBHSA-N 1 1 446.573 1.392 50 0 IDAAMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020785601 526729601 /nfs/dbraw/zinc/72/96/01/526729601.db2.gz AMCMYUWZHNOVHP-WOJBJXKFSA-N 1 1 427.476 1.952 50 0 IDAAMO O=C(CN1c2cc(-c3ccc(Cl)cc3)nn2CCC1=O)NCCC[NH+]1CCOCC1 ZINC000035477970 526824780 /nfs/dbraw/zinc/82/47/80/526824780.db2.gz IYOKHWPMNZAIHF-UHFFFAOYSA-N 1 1 431.924 1.779 50 0 IDAAMO O=C1C(=O)N(CN2CC[NH+](CCOc3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000022793579 526953820 /nfs/dbraw/zinc/95/38/20/526953820.db2.gz JZJRWRPFVJTEIY-UHFFFAOYSA-N 1 1 428.514 1.693 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000012385620 527153523 /nfs/dbraw/zinc/15/35/23/527153523.db2.gz WNUABNVIXVFQLO-QFIPXVFZSA-N 1 1 444.539 1.669 50 0 IDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000012385620 527153525 /nfs/dbraw/zinc/15/35/25/527153525.db2.gz WNUABNVIXVFQLO-QFIPXVFZSA-N 1 1 444.539 1.669 50 0 IDAAMO Cn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000021644736 527383050 /nfs/dbraw/zinc/38/30/50/527383050.db2.gz SDLCQZSPBZWNTH-UHFFFAOYSA-N 1 1 428.537 1.244 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000023805078 527673304 /nfs/dbraw/zinc/67/33/04/527673304.db2.gz FKJQYEWLBUXRJE-NRFANRHFSA-N 1 1 425.485 1.917 50 0 IDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCC(C)C)co3)CC2)cc1 ZINC000034677021 555795040 /nfs/dbraw/zinc/79/50/40/555795040.db2.gz JCJMRVVRZPMFPZ-GOSISDBHSA-N 1 1 446.548 1.627 50 0 IDAAMO O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013688082 556277793 /nfs/dbraw/zinc/27/77/93/556277793.db2.gz XFVRLMAMDHQYCY-UHFFFAOYSA-N 1 1 442.585 1.869 50 0 IDAAMO CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000013847163 556319055 /nfs/dbraw/zinc/31/90/55/556319055.db2.gz ULTJQRAIDBTVSQ-UHFFFAOYSA-N 1 1 439.578 1.325 50 0 IDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000004489444 556352464 /nfs/dbraw/zinc/35/24/64/556352464.db2.gz FTPBBZJUEIZJPC-UHFFFAOYSA-N 1 1 430.368 1.944 50 0 IDAAMO COc1cc(C[NH2+]CCN2CCOC2=O)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011955348 556380641 /nfs/dbraw/zinc/38/06/41/556380641.db2.gz AJWMJDCPGOYFJO-KRWDZBQOSA-N 1 1 425.551 1.026 50 0 IDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000014246488 556406330 /nfs/dbraw/zinc/40/63/30/556406330.db2.gz SNXKIOGTPFBIHQ-UHFFFAOYSA-N 1 1 433.512 1.268 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)CC2)cc1 ZINC000032863564 556448515 /nfs/dbraw/zinc/44/85/15/556448515.db2.gz VIHIZAKASZRAPS-LJQANCHMSA-N 1 1 438.594 1.368 50 0 IDAAMO COc1cccc(OC)c1C[N@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000014991403 556475128 /nfs/dbraw/zinc/47/51/28/556475128.db2.gz PNBVENXMMFXJFH-IBGZPJMESA-N 1 1 429.521 1.191 50 0 IDAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000014991403 556475131 /nfs/dbraw/zinc/47/51/31/556475131.db2.gz PNBVENXMMFXJFH-IBGZPJMESA-N 1 1 429.521 1.191 50 0 IDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCn3nc(C)cc3C)c(=O)[nH]2)C1 ZINC000015001171 556479699 /nfs/dbraw/zinc/47/96/99/556479699.db2.gz IBYGXMWINQECSK-QGZVFWFLSA-N 1 1 429.521 1.393 50 0 IDAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCn3nc(C)cc3C)c(=O)[nH]2)C1 ZINC000015001174 556479747 /nfs/dbraw/zinc/47/97/47/556479747.db2.gz IBYGXMWINQECSK-KRWDZBQOSA-N 1 1 429.521 1.393 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@H+](Cc1ccc(C)s1)CC2 ZINC000015002638 556480435 /nfs/dbraw/zinc/48/04/35/556480435.db2.gz SLUTXHFUQSOJTD-MRXNPFEDSA-N 1 1 431.558 1.882 50 0 IDAAMO O=C(NCCc1nc(-c2ccccc2)no1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015063473 556491450 /nfs/dbraw/zinc/49/14/50/556491450.db2.gz KSOFCQAQFDXYEE-LJQANCHMSA-N 1 1 441.532 1.356 50 0 IDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1OC ZINC000015068206 556494061 /nfs/dbraw/zinc/49/40/61/556494061.db2.gz LJXBPNYBYMJVJH-GOSISDBHSA-N 1 1 437.566 1.600 50 0 IDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000004562799 556520720 /nfs/dbraw/zinc/52/07/20/556520720.db2.gz LZRLIIBWAXOFMS-GOSISDBHSA-N 1 1 427.549 1.674 50 0 IDAAMO O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015868817 556559296 /nfs/dbraw/zinc/55/92/96/556559296.db2.gz DXSRGWJCVHOKKO-UHFFFAOYSA-N 1 1 447.598 1.774 50 0 IDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868888 556559640 /nfs/dbraw/zinc/55/96/40/556559640.db2.gz CVJHPWMVBSJEMF-UHFFFAOYSA-N 1 1 438.015 1.756 50 0 IDAAMO Cc1c2c(ccc1Cl)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016010029 556573625 /nfs/dbraw/zinc/57/36/25/556573625.db2.gz NWPDCQTUHRNAIP-SKGWCBBHSA-N 1 1 444.919 1.577 50 0 IDAAMO CN1CCN(C(=O)NCC23CC4CC(C2)CC(CNC(=O)N2CC[NH+](C)CC2)(C4)C3)CC1 ZINC000016293173 556598519 /nfs/dbraw/zinc/59/85/19/556598519.db2.gz DURBEBVIJIAIPQ-UHFFFAOYSA-N 1 1 446.640 1.487 50 0 IDAAMO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000032987445 556607662 /nfs/dbraw/zinc/60/76/62/556607662.db2.gz VBOUJHQGAWTWLE-UHFFFAOYSA-N 1 1 433.534 1.454 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000032987856 556608308 /nfs/dbraw/zinc/60/83/08/556608308.db2.gz JBPXBMHPVXIKNU-FPOVZHCZSA-N 1 1 435.590 1.861 50 0 IDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2cccc(C)c2)c1 ZINC000046140911 556691766 /nfs/dbraw/zinc/69/17/66/556691766.db2.gz UNKYFGNJNGEVNN-UHFFFAOYSA-N 1 1 431.558 1.881 50 0 IDAAMO COc1cccc(CN(CCS(=O)(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C)cc2)c1 ZINC000046140907 556691801 /nfs/dbraw/zinc/69/18/01/556691801.db2.gz OLHMRVMMHDQMQI-UHFFFAOYSA-N 1 1 431.558 1.881 50 0 IDAAMO Cc1ccc(CC(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000046140932 556691869 /nfs/dbraw/zinc/69/18/69/556691869.db2.gz VQJHRDLBAWFFOY-UHFFFAOYSA-N 1 1 433.549 1.940 50 0 IDAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058283353 556777543 /nfs/dbraw/zinc/77/75/43/556777543.db2.gz YPMRHSAZOPEQJH-LJQANCHMSA-N 1 1 426.521 1.356 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000058344818 556782497 /nfs/dbraw/zinc/78/24/97/556782497.db2.gz RNQXEWSQEMWESM-HXUWFJFHSA-N 1 1 444.580 1.763 50 0 IDAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000058434443 556788235 /nfs/dbraw/zinc/78/82/35/556788235.db2.gz GGIINGMMZOZTDC-QGZVFWFLSA-N 1 1 434.500 1.518 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000019533665 556793587 /nfs/dbraw/zinc/79/35/87/556793587.db2.gz KCLIXFPDZIONDQ-UHFFFAOYSA-N 1 1 429.970 1.913 50 0 IDAAMO C[NH+]1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000019589730 556824530 /nfs/dbraw/zinc/82/45/30/556824530.db2.gz 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CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](C)CC1)CN(C(=O)OCC)CC2 ZINC000019831007 556926443 /nfs/dbraw/zinc/92/64/43/556926443.db2.gz FORSGYLNDOHCBM-UHFFFAOYSA-N 1 1 438.550 1.625 50 0 IDAAMO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@@H+](Cc1cccs1)CC2 ZINC000019835653 556928037 /nfs/dbraw/zinc/92/80/37/556928037.db2.gz WMRNLOQZRRVJAV-UHFFFAOYSA-N 1 1 445.541 1.756 50 0 IDAAMO COc1ccccc1N1CCN([C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)CC1 ZINC000019838336 556928686 /nfs/dbraw/zinc/92/86/86/556928686.db2.gz LTALTUKJZFZFOI-SFTDATJTSA-N 1 1 425.529 1.834 50 0 IDAAMO CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000019838227 556928705 /nfs/dbraw/zinc/92/87/05/556928705.db2.gz UUACDXCYDBOKTC-IBGZPJMESA-N 1 1 441.532 1.656 50 0 IDAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000019944087 556953857 /nfs/dbraw/zinc/95/38/57/556953857.db2.gz LVXGYPJECBFBTL-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COCCOc2ccccc2Br)CC1 ZINC000023109582 557004196 /nfs/dbraw/zinc/00/41/96/557004196.db2.gz HYSKOQPBTMNYKH-HNNXBMFYSA-N 1 1 431.327 1.980 50 0 IDAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000020331287 557008441 /nfs/dbraw/zinc/00/84/41/557008441.db2.gz FVQABJLUFQZCMU-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO COc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2OC)cc1 ZINC000046140761 557042406 /nfs/dbraw/zinc/04/24/06/557042406.db2.gz QPLUXUIWKANVGU-UHFFFAOYSA-N 1 1 447.557 1.581 50 0 IDAAMO COc1ccc(C[N@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000022920017 557046981 /nfs/dbraw/zinc/04/69/81/557046981.db2.gz HJIDSWWKNINUBO-NRFANRHFSA-N 1 1 445.608 1.697 50 0 IDAAMO COc1ccc(C[N@@H+](C)CCc2c(C)n[nH]c2C)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000022920017 557046983 /nfs/dbraw/zinc/04/69/83/557046983.db2.gz HJIDSWWKNINUBO-NRFANRHFSA-N 1 1 445.608 1.697 50 0 IDAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c(OC)c1 ZINC000023128949 557065964 /nfs/dbraw/zinc/06/59/64/557065964.db2.gz QYYHFWXLWCFBES-HNNXBMFYSA-N 1 1 445.520 1.015 50 0 IDAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)c(OC)c1 ZINC000023128949 557065967 /nfs/dbraw/zinc/06/59/67/557065967.db2.gz QYYHFWXLWCFBES-HNNXBMFYSA-N 1 1 445.520 1.015 50 0 IDAAMO CCCCn1c(N)c(N(CC)C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000023290725 557082358 /nfs/dbraw/zinc/08/23/58/557082358.db2.gz HGWCBJLYFXOEJJ-UHFFFAOYSA-N 1 1 442.564 1.090 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000023338930 557085210 /nfs/dbraw/zinc/08/52/10/557085210.db2.gz BHTRAFPNEUUGNK-UHFFFAOYSA-N 1 1 427.461 1.438 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1nonc1C)CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000023338930 557085213 /nfs/dbraw/zinc/08/52/13/557085213.db2.gz BHTRAFPNEUUGNK-UHFFFAOYSA-N 1 1 427.461 1.438 50 0 IDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)C[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353500 557086581 /nfs/dbraw/zinc/08/65/81/557086581.db2.gz KECPOMPSMQYHJA-MQSCRBSSSA-N 1 1 430.593 1.373 50 0 IDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@H]3CCCO3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353500 557086585 /nfs/dbraw/zinc/08/65/85/557086585.db2.gz KECPOMPSMQYHJA-MQSCRBSSSA-N 1 1 430.593 1.373 50 0 IDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)C[N@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353497 557086717 /nfs/dbraw/zinc/08/67/17/557086717.db2.gz KECPOMPSMQYHJA-XPNTWCBSSA-N 1 1 430.593 1.373 50 0 IDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC[C@@H]3CCCO3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1 ZINC000023353497 557086719 /nfs/dbraw/zinc/08/67/19/557086719.db2.gz KECPOMPSMQYHJA-XPNTWCBSSA-N 1 1 430.593 1.373 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000085420796 557101640 /nfs/dbraw/zinc/10/16/40/557101640.db2.gz ZBDPUCXJZDSDJN-NXWNEQKCSA-N 1 1 431.920 1.465 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000085420794 557101661 /nfs/dbraw/zinc/10/16/61/557101661.db2.gz ZBDPUCXJZDSDJN-MDPIYQRISA-N 1 1 431.920 1.465 50 0 IDAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000025066738 557194256 /nfs/dbraw/zinc/19/42/56/557194256.db2.gz NRPCESUPFDAEIF-MRXNPFEDSA-N 1 1 439.516 1.888 50 0 IDAAMO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 ZINC000100173447 557245989 /nfs/dbraw/zinc/24/59/89/557245989.db2.gz MXWLKACSKXUUQK-FQEVSTJZSA-N 1 1 434.496 1.756 50 0 IDAAMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000101163543 557257700 /nfs/dbraw/zinc/25/77/00/557257700.db2.gz QFGRRQITIPURGF-HSZRJFAPSA-N 1 1 434.540 1.973 50 0 IDAAMO O=C(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000031811356 557294100 /nfs/dbraw/zinc/29/41/00/557294100.db2.gz CZPMHCFPELUQCA-IBGZPJMESA-N 1 1 438.503 1.639 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000033131396 557325549 /nfs/dbraw/zinc/32/55/49/557325549.db2.gz HMMVUXFIVGWPKE-UHFFFAOYSA-N 1 1 431.002 1.738 50 0 IDAAMO CC[C@H]1CN(c2nc(C)nc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2)CCN1CCOC ZINC000221880736 557327060 /nfs/dbraw/zinc/32/70/60/557327060.db2.gz PUCPNKSCNANVMW-PMACEKPBSA-N 1 1 435.617 1.274 50 0 IDAAMO CC[C@H]1CN(c2nc(C)nc(N3CC[N@@H+](CCOC)[C@@H](CC)C3)n2)CCN1CCOC ZINC000221880736 557327065 /nfs/dbraw/zinc/32/70/65/557327065.db2.gz PUCPNKSCNANVMW-PMACEKPBSA-N 1 1 435.617 1.274 50 0 IDAAMO C[C@@H]([NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccco1 ZINC000014238075 557327995 /nfs/dbraw/zinc/32/79/95/557327995.db2.gz MQRDZQAXZCPWEZ-MRXNPFEDSA-N 1 1 449.529 1.625 50 0 IDAAMO CC[N@@H+]1CCC[C@@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352034 557350486 /nfs/dbraw/zinc/35/04/86/557350486.db2.gz RSOYBLPYTIHWMG-OAQYLSRUSA-N 1 1 444.601 1.747 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352034 557350489 /nfs/dbraw/zinc/35/04/89/557350489.db2.gz RSOYBLPYTIHWMG-OAQYLSRUSA-N 1 1 444.601 1.747 50 0 IDAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[N@H+]1CCCC[C@H]1C ZINC000106319574 557528023 /nfs/dbraw/zinc/52/80/23/557528023.db2.gz IPZNLNBXGNLYSS-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CCNCC1)CC[N@@H+]1CCCC[C@H]1C ZINC000106319574 557528026 /nfs/dbraw/zinc/52/80/26/557528026.db2.gz IPZNLNBXGNLYSS-HXUWFJFHSA-N 1 1 436.622 1.682 50 0 IDAAMO Cn1c2ccc(NC(=O)C(=O)NCCC[NH+]3CCN(C)CC3)cc2nc1C(F)(F)F ZINC000044902520 557540487 /nfs/dbraw/zinc/54/04/87/557540487.db2.gz ZEUCMGLKWHQTHC-UHFFFAOYSA-N 1 1 426.443 1.284 50 0 IDAAMO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000108388386 557542725 /nfs/dbraw/zinc/54/27/25/557542725.db2.gz XQXIDAKSCBEZAG-LJCCNALRSA-N 1 1 439.578 1.198 50 0 IDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1cc(C)c(C)cc1C ZINC000045944194 557552794 /nfs/dbraw/zinc/55/27/94/557552794.db2.gz JUNCEPRSUVKVSZ-UHFFFAOYSA-N 1 1 438.638 1.766 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)C1 ZINC000045945420 557553851 /nfs/dbraw/zinc/55/38/51/557553851.db2.gz PJSPGWVIVCFUJC-HDICACEKSA-N 1 1 442.651 1.539 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC(=O)N2CCNCC2)S(=O)(=O)c2cccs2)C1 ZINC000045945420 557553855 /nfs/dbraw/zinc/55/38/55/557553855.db2.gz PJSPGWVIVCFUJC-HDICACEKSA-N 1 1 442.651 1.539 50 0 IDAAMO CC(C)Cc1cc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)n[nH]1 ZINC000012301324 562981046 /nfs/dbraw/zinc/98/10/46/562981046.db2.gz PQDROMHCEFPCMS-UHFFFAOYSA-N 1 1 431.581 1.784 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000020117007 563023826 /nfs/dbraw/zinc/02/38/26/563023826.db2.gz MHGCZFJPLAZOGN-UHFFFAOYSA-N 1 1 436.512 1.385 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000025285933 563027373 /nfs/dbraw/zinc/02/73/73/563027373.db2.gz ZUOSMWCTCNIHJA-UHFFFAOYSA-N 1 1 443.569 1.886 50 0 IDAAMO COc1ccc([C@@H](CC(=O)NCC[NH+](C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585820 568759245 /nfs/dbraw/zinc/75/92/45/568759245.db2.gz MXXRISZHJNIMIH-OAHLLOKOSA-N 1 1 434.489 1.879 50 0 biogenic IDAAMO COc1ccc([C@H](CC(=O)NCC[NH+](C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000263585819 568759316 /nfs/dbraw/zinc/75/93/16/568759316.db2.gz MXXRISZHJNIMIH-HNNXBMFYSA-N 1 1 434.489 1.879 50 0 biogenic IDAAMO O=C(Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCCC[NH+]1CCOCC1 ZINC000015722183 568811915 /nfs/dbraw/zinc/81/19/15/568811915.db2.gz ZLDDBPXGCUWRDU-UHFFFAOYSA-N 1 1 448.589 1.654 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)N1CC[NH+](CC)CC1)N2C(C)=O ZINC000015775922 568823639 /nfs/dbraw/zinc/82/36/39/568823639.db2.gz UYFYQNWJEZWOKO-FQEVSTJZSA-N 1 1 436.578 1.159 50 0 IDAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000019973828 568836836 /nfs/dbraw/zinc/83/68/36/568836836.db2.gz XIRBATSNFNDZKW-UHFFFAOYSA-N 1 1 426.521 1.190 50 0 IDAAMO O=C(CCN(CCN1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000015862695 568849124 /nfs/dbraw/zinc/84/91/24/568849124.db2.gz BDKTVTYUVCHRFI-UHFFFAOYSA-N 1 1 426.558 1.124 50 0 IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968075 568861217 /nfs/dbraw/zinc/86/12/17/568861217.db2.gz QYGAWXRFFNIKCQ-BINBFKAUSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000036408666 568905770 /nfs/dbraw/zinc/90/57/70/568905770.db2.gz JVCFOTLYRLWUKM-QZTJIDSGSA-N 1 1 437.562 1.183 50 0 IDAAMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000239760868 568911676 /nfs/dbraw/zinc/91/16/76/568911676.db2.gz CIFQGUKLIULJCB-PMACEKPBSA-N 1 1 434.606 1.387 50 0 IDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327361 568915052 /nfs/dbraw/zinc/91/50/52/568915052.db2.gz OPNZIEVNEBUACP-NDMNPWGDSA-N 1 1 436.306 1.349 50 0 IDAAMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NCCc3cccc(O)c3)cc2)CC1 ZINC000089382700 568921330 /nfs/dbraw/zinc/92/13/30/568921330.db2.gz JZWKFLGFVZCUPL-UHFFFAOYSA-N 1 1 426.517 1.316 50 0 IDAAMO CC[C@@H](C(=O)NCCC[NH+]1CCN(CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787522 568956323 /nfs/dbraw/zinc/95/63/23/568956323.db2.gz IBUFIBAZPIKNAK-FQEVSTJZSA-N 1 1 438.576 1.983 50 0 IDAAMO Cn1c2c(C(=O)NCc3cccnc3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000064836060 568969186 /nfs/dbraw/zinc/96/91/86/568969186.db2.gz ZJPUNBKVCZPOJL-UHFFFAOYSA-N 1 1 428.496 1.916 50 0 IDAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000036431117 569109171 /nfs/dbraw/zinc/10/91/71/569109171.db2.gz JBPXBMHPVXIKNU-CTNGQTDRSA-N 1 1 435.590 1.861 50 0 IDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC(c4nc(N(C)C)no4)CC3)CC2)c1 ZINC000170601541 569142928 /nfs/dbraw/zinc/14/29/28/569142928.db2.gz XCLKRXQEIUCAKC-UHFFFAOYSA-N 1 1 426.565 1.968 50 0 IDAAMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600741 569142991 /nfs/dbraw/zinc/14/29/91/569142991.db2.gz YPSZNCDWSXXUJR-MRXNPFEDSA-N 1 1 430.509 1.066 50 0 IDAAMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C2)C(=O)C1 ZINC000170600741 569142993 /nfs/dbraw/zinc/14/29/93/569142993.db2.gz YPSZNCDWSXXUJR-MRXNPFEDSA-N 1 1 430.509 1.066 50 0 IDAAMO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000170625210 569148369 /nfs/dbraw/zinc/14/83/69/569148369.db2.gz NNDYSYXMCQSYAF-FQEVSTJZSA-N 1 1 439.491 1.418 50 0 IDAAMO COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000016839166 569163004 /nfs/dbraw/zinc/16/30/04/569163004.db2.gz QBCGRPKZJGXIDX-UHFFFAOYSA-N 1 1 439.516 1.189 50 0 IDAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178493 569175540 /nfs/dbraw/zinc/17/55/40/569175540.db2.gz ADPTWICIYZAMJZ-NRFANRHFSA-N 1 1 425.485 1.611 50 0 IDAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178493 569175541 /nfs/dbraw/zinc/17/55/41/569175541.db2.gz ADPTWICIYZAMJZ-NRFANRHFSA-N 1 1 425.485 1.611 50 0 IDAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178519 569175640 /nfs/dbraw/zinc/17/56/40/569175640.db2.gz KNRRABRWGGRAQL-OAQYLSRUSA-N 1 1 425.485 1.976 50 0 IDAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178519 569175641 /nfs/dbraw/zinc/17/56/41/569175641.db2.gz KNRRABRWGGRAQL-OAQYLSRUSA-N 1 1 425.485 1.976 50 0 IDAAMO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000253385989 569264104 /nfs/dbraw/zinc/26/41/04/569264104.db2.gz VDTPQSMPHAKDCF-DKTCFHKXSA-N 1 1 429.448 1.988 50 0 IDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)cc1OC ZINC000019796926 569329566 /nfs/dbraw/zinc/32/95/66/569329566.db2.gz ICUKWWMPQFHCRT-PXNSSMCTSA-N 1 1 439.555 1.475 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000019797129 569329647 /nfs/dbraw/zinc/32/96/47/569329647.db2.gz NHWURLWKNOOTLU-SFTDATJTSA-N 1 1 448.566 1.948 50 0 IDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019938624 569332139 /nfs/dbraw/zinc/33/21/39/569332139.db2.gz QQHLEUBUHJJBHE-INIZCTEOSA-N 1 1 431.327 1.980 50 0 IDAAMO Cc1nc2c(c(C)c1CCC(=O)N1CC[NH+](Cc3ccccc3)CC1)c(=O)n(C)c(=O)n2C ZINC000020283938 569358943 /nfs/dbraw/zinc/35/89/43/569358943.db2.gz XRDVLAKGVOFQAY-UHFFFAOYSA-N 1 1 449.555 1.526 50 0 IDAAMO COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCC[NH+]1CCOCC1)C3 ZINC000095346303 569361455 /nfs/dbraw/zinc/36/14/55/569361455.db2.gz NVIRYGIAECEDMT-UHFFFAOYSA-N 1 1 430.501 2.000 50 0 IDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406735 569364690 /nfs/dbraw/zinc/36/46/90/569364690.db2.gz TWYISXCDROWVAC-UYAOXDASSA-N 1 1 436.984 1.259 50 0 IDAAMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC([N@H+](C)CC(=O)NC(C)C)CC1 ZINC000095432328 569366226 /nfs/dbraw/zinc/36/62/26/569366226.db2.gz VHEHCBANRLLRRF-QFIPXVFZSA-N 1 1 428.577 1.970 50 0 IDAAMO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000095454980 569368540 /nfs/dbraw/zinc/36/85/40/569368540.db2.gz GBENWZOMWXKCCT-MRXNPFEDSA-N 1 1 441.573 1.710 50 0 IDAAMO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CC[NH+]3CCN(C)CC3)c2)cc1 ZINC000095457790 569369033 /nfs/dbraw/zinc/36/90/33/569369033.db2.gz ODFPAPPNCTVXFH-UHFFFAOYSA-N 1 1 430.574 1.979 50 0 IDAAMO Cc1ccnc(Nc2cc(NCCNC(=O)C3CCN(S(C)(=O)=O)CC3)[nH+]c(C)n2)c1 ZINC000096025000 569380669 /nfs/dbraw/zinc/38/06/69/569380669.db2.gz OUNDCBMRNQEUKZ-UHFFFAOYSA-N 1 1 447.565 1.432 50 0 IDAAMO Cc1ccccc1C(=O)N1CCc2nc(N3CCOCC3)nc(N3CC[NH+](C)CC3)c2C1 ZINC000096280969 569389863 /nfs/dbraw/zinc/38/98/63/569389863.db2.gz HEWIXHHLCJJKES-UHFFFAOYSA-N 1 1 436.560 1.572 50 0 IDAAMO CC(C)CCn1c2c(nc1N1CC[NH+](Cc3ccc(F)cc3)CC1)n(C)c(=O)[nH]c2=O ZINC000056952505 569428455 /nfs/dbraw/zinc/42/84/55/569428455.db2.gz OESWPDSBOKSVPV-UHFFFAOYSA-N 1 1 428.512 1.931 50 0 IDAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000058130765 569448222 /nfs/dbraw/zinc/44/82/22/569448222.db2.gz GEGHUCFGKDZONY-AWEZNQCLSA-N 1 1 426.439 1.120 50 0 IDAAMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000059488010 569461634 /nfs/dbraw/zinc/46/16/34/569461634.db2.gz VDTPQSMPHAKDCF-IRQJKIPJSA-N 1 1 429.448 1.988 50 0 biogenic IDAAMO Cc1nc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000038670689 569466444 /nfs/dbraw/zinc/46/64/44/569466444.db2.gz VDZXNXQNCOTXFV-UHFFFAOYSA-N 1 1 432.550 1.477 50 0 IDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286930 569467003 /nfs/dbraw/zinc/46/70/03/569467003.db2.gz ZDSZQHCJBIEEMZ-SFHVURJKSA-N 1 1 432.546 1.777 50 0 IDAAMO CCc1ccc(CNC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)cc1 ZINC000067319325 569468500 /nfs/dbraw/zinc/46/85/00/569468500.db2.gz BSKKAUDIAOICBX-UHFFFAOYSA-N 1 1 440.573 1.874 50 0 IDAAMO COCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000008725395 569472144 /nfs/dbraw/zinc/47/21/44/569472144.db2.gz KZUWMMKKXBRFEQ-UHFFFAOYSA-N 1 1 432.484 1.941 50 0 IDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000040142368 569491829 /nfs/dbraw/zinc/49/18/29/569491829.db2.gz JQDDWODBZIUYMS-IYBDPMFKSA-N 1 1 429.608 1.867 50 0 IDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000040142421 569491888 /nfs/dbraw/zinc/49/18/88/569491888.db2.gz ISANZPJVBRNCNT-GASCZTMLSA-N 1 1 437.500 1.161 50 0 IDAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)C[C@H](C)O1 ZINC000040142421 569491889 /nfs/dbraw/zinc/49/18/89/569491889.db2.gz ISANZPJVBRNCNT-GASCZTMLSA-N 1 1 437.500 1.161 50 0 IDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245343427 569504461 /nfs/dbraw/zinc/50/44/61/569504461.db2.gz OQXOPCSVFMZODY-OALUTQOASA-N 1 1 430.615 1.046 50 0 IDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009245611 569515375 /nfs/dbraw/zinc/51/53/75/569515375.db2.gz IPNGKNNXPXEUDT-IBGZPJMESA-N 1 1 445.541 1.601 50 0 IDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000009245611 569515376 /nfs/dbraw/zinc/51/53/76/569515376.db2.gz IPNGKNNXPXEUDT-IBGZPJMESA-N 1 1 445.541 1.601 50 0 IDAAMO COc1ccc(C[N@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000009491336 569540336 /nfs/dbraw/zinc/54/03/36/569540336.db2.gz FOVPGTSKPKPBOC-UHFFFAOYSA-N 1 1 437.500 1.271 50 0 IDAAMO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000009491336 569540337 /nfs/dbraw/zinc/54/03/37/569540337.db2.gz FOVPGTSKPKPBOC-UHFFFAOYSA-N 1 1 437.500 1.271 50 0 IDAAMO CN(C(=O)C[N@H+](C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009507245 569541973 /nfs/dbraw/zinc/54/19/73/569541973.db2.gz FUWWVDVBAJBBAC-UHFFFAOYSA-N 1 1 425.464 1.401 50 0 IDAAMO CN(C(=O)C[N@@H+](C)Cc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009507245 569541974 /nfs/dbraw/zinc/54/19/74/569541974.db2.gz FUWWVDVBAJBBAC-UHFFFAOYSA-N 1 1 425.464 1.401 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775718 569567009 /nfs/dbraw/zinc/56/70/09/569567009.db2.gz UQVCDKDNTXUWQD-MRXNPFEDSA-N 1 1 433.578 1.572 50 0 IDAAMO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000096223291 193936807 /nfs/dbraw/zinc/93/68/07/193936807.db2.gz HIAIKYRZDCHHAF-NRFANRHFSA-N 1 1 435.528 1.322 50 0 IDAAMO Cc1cnc(C)c(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3CCc3ccccc3)CC2)n1 ZINC000011814416 132340516 /nfs/dbraw/zinc/34/05/16/132340516.db2.gz JUTDKLKZAMYFIW-NRFANRHFSA-N 1 1 436.560 1.175 50 0 IDAAMO Cc1cnc(C)c(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3CCc3ccccc3)CC2)n1 ZINC000011814416 132340517 /nfs/dbraw/zinc/34/05/17/132340517.db2.gz JUTDKLKZAMYFIW-NRFANRHFSA-N 1 1 436.560 1.175 50 0 IDAAMO CC(=O)Nc1cccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)c1 ZINC000035422009 519736004 /nfs/dbraw/zinc/73/60/04/519736004.db2.gz DKEYXCQCGFSWPT-UHFFFAOYSA-N 1 1 443.592 1.785 50 0 IDAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)ccc1O ZINC000020779628 520699139 /nfs/dbraw/zinc/69/91/39/520699139.db2.gz ZGNXUVMOUGLRFD-UHFFFAOYSA-N 1 1 436.516 1.808 50 0 IDAAMO CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000035428820 521031302 /nfs/dbraw/zinc/03/13/02/521031302.db2.gz QSKORVUBEFBUOI-UHFFFAOYSA-N 1 1 448.589 1.160 50 0 IDAAMO CCOC(=O)c1ccc(-n2nnnc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)[NH2+]C)cc1 ZINC000012411120 521462218 /nfs/dbraw/zinc/46/22/18/521462218.db2.gz OKGNETCPZUNFFS-JOCHJYFZSA-N 1 1 434.456 1.570 50 0 IDAAMO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000021887764 521663668 /nfs/dbraw/zinc/66/36/68/521663668.db2.gz JLBMTLWRDDYCDL-INIZCTEOSA-N 1 1 441.594 1.425 50 0 biogenic IDAAMO CC[NH+]1CCN(C(=O)[C@@H]2Cc3cc(S(=O)(=O)N4CCCCC4)ccc3N2C(C)=O)CC1 ZINC000021022665 521667570 /nfs/dbraw/zinc/66/75/70/521667570.db2.gz LZPJFBKNOMXLIT-NRFANRHFSA-N 1 1 448.589 1.303 50 0 IDAAMO CN(C)CC[NH2+][C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000022809172 521791754 /nfs/dbraw/zinc/79/17/54/521791754.db2.gz TUGSYRFFXODNRR-NRFANRHFSA-N 1 1 446.573 1.539 50 0 IDAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000012099081 522778463 /nfs/dbraw/zinc/77/84/63/522778463.db2.gz FBBCZNZOAJZECK-GOSISDBHSA-N 1 1 443.548 1.957 50 0 IDAAMO COc1cc(OC)cc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCCC2)c1 ZINC000035422060 522844163 /nfs/dbraw/zinc/84/41/63/522844163.db2.gz ZNTZAPPIAPZPJY-UHFFFAOYSA-N 1 1 432.565 1.454 50 0 IDAAMO CN1CC[NH+](CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000020819586 523897924 /nfs/dbraw/zinc/89/79/24/523897924.db2.gz WIARJQCQIDTUQF-UHFFFAOYSA-N 1 1 436.500 1.225 50 0 IDAAMO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968081 524059828 /nfs/dbraw/zinc/05/98/28/524059828.db2.gz QYGAWXRFFNIKCQ-ZHBILRMLSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)N3CC[NH+](C)CC3)C(C)C)no2)c1 ZINC000036016100 524790496 /nfs/dbraw/zinc/79/04/96/524790496.db2.gz INWQOSCOSFUOJX-FQEVSTJZSA-N 1 1 430.505 1.887 50 0 IDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012889764 524890198 /nfs/dbraw/zinc/89/01/98/524890198.db2.gz WIRATMBBXXVZMW-GASCZTMLSA-N 1 1 431.986 1.965 50 0 IDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012889764 524890204 /nfs/dbraw/zinc/89/02/04/524890204.db2.gz WIRATMBBXXVZMW-GASCZTMLSA-N 1 1 431.986 1.965 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363875 524952029 /nfs/dbraw/zinc/95/20/29/524952029.db2.gz BDRXNLLNSXNAAR-VZTCAHHPSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022916526 524958229 /nfs/dbraw/zinc/95/82/29/524958229.db2.gz ZZSSUAKLPNEEPY-OAHLLOKOSA-N 1 1 432.546 1.879 50 0 IDAAMO C[C@@H](NC(=O)C(=O)N1CCOCC1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288232 525039708 /nfs/dbraw/zinc/03/97/08/525039708.db2.gz ONSRSVXXFYQFPE-NQIIRXRSSA-N 1 1 442.585 1.975 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363877 525589299 /nfs/dbraw/zinc/58/92/99/525589299.db2.gz RPQFRVHPUSVADI-LCKXGBKKSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n(C)n1 ZINC000020600801 526250513 /nfs/dbraw/zinc/25/05/13/526250513.db2.gz FHZMNAAYXZLYJT-IBGZPJMESA-N 1 1 425.533 1.880 50 0 IDAAMO Cc1coc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N4CC[NH+](C)CC4)c(C)c3cc12 ZINC000020650426 526291301 /nfs/dbraw/zinc/29/13/01/526291301.db2.gz RHWXYEPTXAAJDM-UHFFFAOYSA-N 1 1 425.485 1.931 50 0 IDAAMO O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908049 526317150 /nfs/dbraw/zinc/31/71/50/526317150.db2.gz RTQKQJQPCISAFK-FQEVSTJZSA-N 1 1 442.585 1.412 50 0 IDAAMO O=C(NCCN1CCOCC1)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908049 526317152 /nfs/dbraw/zinc/31/71/52/526317152.db2.gz RTQKQJQPCISAFK-FQEVSTJZSA-N 1 1 442.585 1.412 50 0 IDAAMO Cc1csc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)n1 ZINC000022909001 526386041 /nfs/dbraw/zinc/38/60/41/526386041.db2.gz DVHSRIGBQPNGMK-UHFFFAOYSA-N 1 1 449.602 1.950 50 0 IDAAMO O=C([C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000020599766 526462883 /nfs/dbraw/zinc/46/28/83/526462883.db2.gz CUVJRNYNJFGHPV-OAQYLSRUSA-N 1 1 441.576 1.367 50 0 IDAAMO O=C([C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000020599766 526462885 /nfs/dbraw/zinc/46/28/85/526462885.db2.gz CUVJRNYNJFGHPV-OAQYLSRUSA-N 1 1 441.576 1.367 50 0 IDAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccnc3)[C@@H]2C1)N1CCCC1 ZINC000035869698 526786363 /nfs/dbraw/zinc/78/63/63/526786363.db2.gz LESCKVPLAIWXBW-GGAORHGYSA-N 1 1 433.556 1.683 50 0 IDAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NCc3cccnc3)[C@@H]2C1)N1CCCC1 ZINC000035869698 526786366 /nfs/dbraw/zinc/78/63/66/526786366.db2.gz LESCKVPLAIWXBW-GGAORHGYSA-N 1 1 433.556 1.683 50 0 IDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccccc1-c1ccco1)CC2)[C@H]1CCC(=O)N1 ZINC000020453503 526839320 /nfs/dbraw/zinc/83/93/20/526839320.db2.gz VFDOEVARIDEEBQ-GOSISDBHSA-N 1 1 434.500 1.491 50 0 IDAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000012913425 526887043 /nfs/dbraw/zinc/88/70/43/526887043.db2.gz ZDFVCQMYVDLFRK-WIYYLYMNSA-N 1 1 433.599 1.758 50 0 IDAAMO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cnc21 ZINC000012869224 527020868 /nfs/dbraw/zinc/02/08/68/527020868.db2.gz PQHVFELQZSOXSE-QGZVFWFLSA-N 1 1 427.892 1.842 50 0 IDAAMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000022799761 527027412 /nfs/dbraw/zinc/02/74/12/527027412.db2.gz QFGRRQITIPURGF-QHCPKHFHSA-N 1 1 434.540 1.973 50 0 IDAAMO Cn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc2sccc21 ZINC000020861987 527041722 /nfs/dbraw/zinc/04/17/22/527041722.db2.gz AZBJXNOGSBAIIQ-UHFFFAOYSA-N 1 1 431.606 1.846 50 0 IDAAMO O=C(C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O)N1CC[NH+](CCO)CC1 ZINC000023129042 527189364 /nfs/dbraw/zinc/18/93/64/527189364.db2.gz LAIZDRJWEAERRK-RUZDIDTESA-N 1 1 441.572 1.790 50 0 IDAAMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012588308 527200469 /nfs/dbraw/zinc/20/04/69/527200469.db2.gz XTNISCNSZXORQM-GOSISDBHSA-N 1 1 426.517 1.929 50 0 IDAAMO O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020466404 527428099 /nfs/dbraw/zinc/42/80/99/527428099.db2.gz IXINXFCVQQQCNA-UHFFFAOYSA-N 1 1 434.525 1.964 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000020715471 527669833 /nfs/dbraw/zinc/66/98/33/527669833.db2.gz LEENASBYGACBFJ-UHFFFAOYSA-N 1 1 441.458 1.198 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000020556941 527671758 /nfs/dbraw/zinc/67/17/58/527671758.db2.gz PWXUWDQGGGHRMK-SFHVURJKSA-N 1 1 441.580 1.608 50 0 IDAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677579 555796056 /nfs/dbraw/zinc/79/60/56/555796056.db2.gz OGABZIKRSZYTCG-SFHVURJKSA-N 1 1 434.512 1.647 50 0 IDAAMO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022924995 556342701 /nfs/dbraw/zinc/34/27/01/556342701.db2.gz JXDUMSIACXLSOR-FQEVSTJZSA-N 1 1 429.609 1.646 50 0 IDAAMO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000022924995 556342704 /nfs/dbraw/zinc/34/27/04/556342704.db2.gz JXDUMSIACXLSOR-FQEVSTJZSA-N 1 1 429.609 1.646 50 0 IDAAMO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3cnccn3)cc2)CC1 ZINC000011874856 556370660 /nfs/dbraw/zinc/37/06/60/556370660.db2.gz JVBLRJGSULENSR-OAQYLSRUSA-N 1 1 428.533 1.434 50 0 IDAAMO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccc(OCCO)c2)CC3)cc1 ZINC000011909631 556374643 /nfs/dbraw/zinc/37/46/43/556374643.db2.gz YTMBZEYZKPZHFJ-UHFFFAOYSA-N 1 1 449.555 1.988 50 0 IDAAMO COC(=O)C1CCN(Cc2ccc(OC[C@@H](O)C[NH+]3CCSCC3)c(OC)c2)CC1 ZINC000012075225 556397268 /nfs/dbraw/zinc/39/72/68/556397268.db2.gz SVBRCWDIBUBLDM-IBGZPJMESA-N 1 1 438.590 1.869 50 0 IDAAMO CNC(=O)C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000032858105 556434583 /nfs/dbraw/zinc/43/45/83/556434583.db2.gz TWHVLOOWHDJFLK-UHFFFAOYSA-N 1 1 444.557 1.908 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(C)c1C ZINC000014887233 556455905 /nfs/dbraw/zinc/45/59/05/556455905.db2.gz PCTQTDHAQNRWED-FQEVSTJZSA-N 1 1 427.549 1.800 50 0 IDAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N1CC[NH+](C)CC1 ZINC000013557309 556517119 /nfs/dbraw/zinc/51/71/19/556517119.db2.gz DYETYILBGCWBFC-GQAKTHPZSA-N 1 1 430.574 1.561 50 0 IDAAMO O=C(CNC(=O)c1ccccc1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000013628063 556537973 /nfs/dbraw/zinc/53/79/73/556537973.db2.gz HYOMEUAZDHATAO-UHFFFAOYSA-N 1 1 448.567 1.999 50 0 IDAAMO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671304 556542722 /nfs/dbraw/zinc/54/27/22/556542722.db2.gz VNWNQDPMHLKQRB-UHFFFAOYSA-N 1 1 431.562 1.695 50 0 IDAAMO C[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+]1CCOCC1 ZINC000072306614 556558589 /nfs/dbraw/zinc/55/85/89/556558589.db2.gz UEMJKBZVKVZLFW-KUHUBIRLSA-N 1 1 440.338 1.001 50 0 IDAAMO O=S(=O)(CCN(C1CCCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000015868819 556559322 /nfs/dbraw/zinc/55/93/22/556559322.db2.gz UOYFHZOZIGHXQZ-UHFFFAOYSA-N 1 1 429.608 1.635 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000015868954 556559699 /nfs/dbraw/zinc/55/96/99/556559699.db2.gz REIQHWSPHPJUPH-UHFFFAOYSA-N 1 1 429.608 1.553 50 0 IDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]CCc2cccs2)cc1C ZINC000015885413 556561669 /nfs/dbraw/zinc/56/16/69/556561669.db2.gz POMJDNSJDWHSKX-AEFFLSMTSA-N 1 1 429.585 1.837 50 0 IDAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016010080 556573902 /nfs/dbraw/zinc/57/39/02/556573902.db2.gz PSLFARPWFHKJMQ-SKGWCBBHSA-N 1 1 444.919 1.577 50 0 IDAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413139 556640386 /nfs/dbraw/zinc/64/03/86/556640386.db2.gz DKZSICJNZLBYGL-FXAWDEMLSA-N 1 1 428.533 1.842 50 0 biogenic IDAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000013521305 556675972 /nfs/dbraw/zinc/67/59/72/556675972.db2.gz UXMDUHPTQHZKGC-UHFFFAOYSA-N 1 1 445.570 1.656 50 0 IDAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)c1ccccc1 ZINC000011997547 556679348 /nfs/dbraw/zinc/67/93/48/556679348.db2.gz QRMKIUYYCTWFJV-SFHVURJKSA-N 1 1 437.543 1.334 50 0 IDAAMO COc1ccccc1C(=O)N(CCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140867 556691737 /nfs/dbraw/zinc/69/17/37/556691737.db2.gz WOMZBJXEJWNLRF-UHFFFAOYSA-N 1 1 431.558 1.615 50 0 IDAAMO C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(F)cc1 ZINC000046141050 556692121 /nfs/dbraw/zinc/69/21/21/556692121.db2.gz OTNQTMFBVMQXOS-GOSISDBHSA-N 1 1 440.585 1.377 50 0 IDAAMO C[N@H+](CCC(=O)N1CCC(CO)(CCOc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055036507 556732352 /nfs/dbraw/zinc/73/23/52/556732352.db2.gz CSMNWZSOXTXCST-LJQANCHMSA-N 1 1 438.590 1.566 50 0 IDAAMO C[N@@H+](CCC(=O)N1CCC(CO)(CCOc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055036507 556732353 /nfs/dbraw/zinc/73/23/53/556732353.db2.gz CSMNWZSOXTXCST-LJQANCHMSA-N 1 1 438.590 1.566 50 0 IDAAMO FC(F)(F)COc1nc(N2CCOCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000055190566 556737394 /nfs/dbraw/zinc/73/73/94/556737394.db2.gz RSLAVQBZLCVPQE-UHFFFAOYSA-N 1 1 438.454 1.972 50 0 IDAAMO Cc1nc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(N2CCOCC2)[nH+]1 ZINC000065365358 556835906 /nfs/dbraw/zinc/83/59/06/556835906.db2.gz KFMFNHOQZRETCT-UHFFFAOYSA-N 1 1 426.477 1.704 50 0 IDAAMO O=C(NCCSc1c[nH]nn1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019740488 556880490 /nfs/dbraw/zinc/88/04/90/556880490.db2.gz YWASWVZXCGQDAN-UHFFFAOYSA-N 1 1 427.534 1.633 50 0 IDAAMO O=C(NCCSc1cn[nH]n1)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019740488 556880494 /nfs/dbraw/zinc/88/04/94/556880494.db2.gz YWASWVZXCGQDAN-UHFFFAOYSA-N 1 1 427.534 1.633 50 0 IDAAMO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1 ZINC000072117824 556898436 /nfs/dbraw/zinc/89/84/36/556898436.db2.gz GUVCXNODEJQYQY-UHFFFAOYSA-N 1 1 425.537 1.981 50 0 IDAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)cc1 ZINC000072140630 556899325 /nfs/dbraw/zinc/89/93/25/556899325.db2.gz WVDYNIFNVXHWQR-UHFFFAOYSA-N 1 1 446.577 1.138 50 0 IDAAMO CC1=C(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)OCCO1 ZINC000019794850 556915942 /nfs/dbraw/zinc/91/59/42/556915942.db2.gz GRTGBANGHLOOCJ-IBGZPJMESA-N 1 1 429.517 1.802 50 0 IDAAMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c(OC)c1 ZINC000019811795 556919081 /nfs/dbraw/zinc/91/90/81/556919081.db2.gz ALAYFHYDYJKHDV-UHFFFAOYSA-N 1 1 447.557 1.814 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860577 556932826 /nfs/dbraw/zinc/93/28/26/556932826.db2.gz AJWITZYPJZNZAC-GOSISDBHSA-N 1 1 443.997 1.720 50 0 IDAAMO Cn1c2nc(NCCC[NH+]3CCOCC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000019944097 556954288 /nfs/dbraw/zinc/95/42/88/556954288.db2.gz XNPMREHCTCLFMU-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000020027266 556967274 /nfs/dbraw/zinc/96/72/74/556967274.db2.gz FFHNLEARRVNUGE-NRFANRHFSA-N 1 1 425.485 1.917 50 0 IDAAMO COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020112378 556986652 /nfs/dbraw/zinc/98/66/52/556986652.db2.gz NNTPGKNNWWTCDH-HSZRJFAPSA-N 1 1 440.500 1.731 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000020212409 556999093 /nfs/dbraw/zinc/99/90/93/556999093.db2.gz WCMPDDGQGWLHCH-UHFFFAOYSA-N 1 1 441.557 1.949 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)NCc1ccsc1)CC[N@H+](Cc1cnn(C)c1C)CC2 ZINC000020212409 556999097 /nfs/dbraw/zinc/99/90/97/556999097.db2.gz WCMPDDGQGWLHCH-UHFFFAOYSA-N 1 1 441.557 1.949 50 0 IDAAMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944839 557027718 /nfs/dbraw/zinc/02/77/18/557027718.db2.gz NDMFFOCWFRQTFJ-CQSZACIVSA-N 1 1 425.455 1.730 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@@H+]1C ZINC000023129569 557066379 /nfs/dbraw/zinc/06/63/79/557066379.db2.gz DLOLNVACXGYWQT-MZNJEOGPSA-N 1 1 438.503 1.970 50 0 IDAAMO C[C@@H]1CN(C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(Cc3cccnc3)C2=O)CC[N@H+]1C ZINC000023129569 557066383 /nfs/dbraw/zinc/06/63/83/557066383.db2.gz DLOLNVACXGYWQT-MZNJEOGPSA-N 1 1 438.503 1.970 50 0 IDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@H+]4CCC[C@H](C)C4)ncn3n2)cc1 ZINC000033331639 557115711 /nfs/dbraw/zinc/11/57/11/557115711.db2.gz YVMAPVWAMHMJTN-KRWDZBQOSA-N 1 1 438.532 1.805 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610861 557154790 /nfs/dbraw/zinc/15/47/90/557154790.db2.gz RHXLSQUHTBDVQO-UHFFFAOYSA-N 1 1 443.997 1.720 50 0 IDAAMO O=C(C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024987904 557186812 /nfs/dbraw/zinc/18/68/12/557186812.db2.gz SGVGFHVWWJFVDV-OAQYLSRUSA-N 1 1 447.601 1.165 50 0 IDAAMO O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025748392 557224109 /nfs/dbraw/zinc/22/41/09/557224109.db2.gz ZCCJOWYLNYHIAG-JOCHJYFZSA-N 1 1 445.523 1.975 50 0 IDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)CC1 ZINC000026456016 557241277 /nfs/dbraw/zinc/24/12/77/557241277.db2.gz KYAAHZKAGBSQIY-MRXNPFEDSA-N 1 1 425.551 1.269 50 0 IDAAMO C[C@H](CNC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000101246247 557264745 /nfs/dbraw/zinc/26/47/45/557264745.db2.gz JQHJDEHVDMZRGK-NQIIRXRSSA-N 1 1 434.540 1.832 50 0 IDAAMO C[C@@H]1C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000023509123 557364592 /nfs/dbraw/zinc/36/45/92/557364592.db2.gz SOTMWPZMBGAXQR-CALCHBBNSA-N 1 1 441.569 1.842 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379586 557496648 /nfs/dbraw/zinc/49/66/48/557496648.db2.gz RPQFRVHPUSVADI-VBKCDYCISA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000105380435 557497009 /nfs/dbraw/zinc/49/70/09/557497009.db2.gz FJRWKXNZDUURGR-AEYPDILWSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO COc1ccccc1N(C[C@H](O)CN1CCC[N@@H+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000106590897 557530649 /nfs/dbraw/zinc/53/06/49/557530649.db2.gz UNOYEAQQXDYAGQ-LJQANCHMSA-N 1 1 433.574 1.889 50 0 IDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000045944172 557552806 /nfs/dbraw/zinc/55/28/06/557552806.db2.gz JITOFKGDBDBVRV-UHFFFAOYSA-N 1 1 438.638 1.766 50 0 IDAAMO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[NH+]2CCCC2)c(C)c1 ZINC000045944070 557552880 /nfs/dbraw/zinc/55/28/80/557552880.db2.gz QDRPNRXQYOYZTB-UHFFFAOYSA-N 1 1 436.622 1.520 50 0 IDAAMO O=C(CCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CCNCC1 ZINC000045945090 557553463 /nfs/dbraw/zinc/55/34/63/557553463.db2.gz QCAONUWVTOUNHY-UHFFFAOYSA-N 1 1 440.585 1.514 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)c(C)c1 ZINC000045945191 557553635 /nfs/dbraw/zinc/55/36/35/557553635.db2.gz NNUCUTTZTVEXFD-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000045945245 557554060 /nfs/dbraw/zinc/55/40/60/557554060.db2.gz ITZITJKHTYTWQO-FQEVSTJZSA-N 1 1 436.622 1.682 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000045945245 557554061 /nfs/dbraw/zinc/55/40/61/557554061.db2.gz ITZITJKHTYTWQO-FQEVSTJZSA-N 1 1 436.622 1.682 50 0 IDAAMO CCN(CC)CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974278 557556314 /nfs/dbraw/zinc/55/63/14/557556314.db2.gz SVYWUKYCAIMMHI-UHFFFAOYSA-N 1 1 438.638 1.649 50 0 IDAAMO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595803 562953717 /nfs/dbraw/zinc/95/37/17/562953717.db2.gz YPSCATNELRCLEL-HNNXBMFYSA-N 1 1 439.607 1.940 50 0 aggregator IDAAMO O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020103688 563023609 /nfs/dbraw/zinc/02/36/09/563023609.db2.gz PCAHRELPOFHGEU-UHFFFAOYSA-N 1 1 433.512 1.247 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414921 563024736 /nfs/dbraw/zinc/02/47/36/563024736.db2.gz DDGDICBAMPKPJO-SFHVURJKSA-N 1 1 431.610 1.689 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000036383560 563094206 /nfs/dbraw/zinc/09/42/06/563094206.db2.gz GEEQKJAEZUJADN-GJZGRUSLSA-N 1 1 437.591 1.693 50 0 IDAAMO CCOC(=O)CCc1c(C)c2ccc(=O)c(C[NH2+][C@]3(C)CCS(=O)(=O)C3)c-2oc1O ZINC000334158312 568750911 /nfs/dbraw/zinc/75/09/11/568750911.db2.gz FYMHJINDMAWQOQ-OAQYLSRUSA-N 1 1 437.514 1.921 50 0 IDAAMO CC(C)[C@H]1CN(C)CCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758864 568755569 /nfs/dbraw/zinc/75/55/69/568755569.db2.gz LCEDPVRUAAAWPE-YKSBVNFPSA-N 1 1 446.567 1.573 50 0 IDAAMO COC(=O)c1cn(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc2c(=O)[nH]nc1-2 ZINC000263586202 568759283 /nfs/dbraw/zinc/75/92/83/568759283.db2.gz RFUGEPDPXVZEAD-CQSZACIVSA-N 1 1 426.429 1.429 50 0 biogenic IDAAMO CN1CCc2c3ccccc3n(C[C@@H](O)C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2C1=O ZINC000001323339 568780291 /nfs/dbraw/zinc/78/02/91/568780291.db2.gz JVMHZMCCBNIUKG-OTWHNJEPSA-N 1 1 446.551 1.911 50 0 biogenic IDAAMO Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)CC2 ZINC000084286939 568796707 /nfs/dbraw/zinc/79/67/07/568796707.db2.gz ZPFPBGQXNMGQOF-WMLDXEAASA-N 1 1 439.482 1.674 50 0 IDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000084374448 568797562 /nfs/dbraw/zinc/79/75/62/568797562.db2.gz KPESBRDJPUGYMF-UHFFFAOYSA-N 1 1 448.531 1.415 50 0 IDAAMO CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000084774483 568801301 /nfs/dbraw/zinc/80/13/01/568801301.db2.gz GRIRDPJDBHHMAY-KRWDZBQOSA-N 1 1 440.610 1.816 50 0 IDAAMO CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000084774483 568801302 /nfs/dbraw/zinc/80/13/02/568801302.db2.gz GRIRDPJDBHHMAY-KRWDZBQOSA-N 1 1 440.610 1.816 50 0 IDAAMO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015766742 568821590 /nfs/dbraw/zinc/82/15/90/568821590.db2.gz PZVFMFKRMXVTDY-UHFFFAOYSA-N 1 1 431.562 1.402 50 0 IDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cc(-n4cccn4)nc(C)n3)CC2)ncn1 ZINC000090607686 568890093 /nfs/dbraw/zinc/89/00/93/568890093.db2.gz AXYLAUNOKWLRSO-UHFFFAOYSA-N 1 1 430.476 1.217 50 0 IDAAMO COCCN(C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016475111 568908858 /nfs/dbraw/zinc/90/88/58/568908858.db2.gz NIDZFJWELBEIGY-CALCHBBNSA-N 1 1 443.548 1.124 50 0 IDAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000239527569 568911749 /nfs/dbraw/zinc/91/17/49/568911749.db2.gz ATCQGZNHCZIYLC-POAQFYNOSA-N 1 1 433.574 1.893 50 0 IDAAMO C[NH+]1CCN(C(=O)Cn2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000089382582 568921479 /nfs/dbraw/zinc/92/14/79/568921479.db2.gz MXUJLWWZOJGOSE-UHFFFAOYSA-N 1 1 425.411 1.693 50 0 IDAAMO Cc1cccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3cccc(F)c3)c2=O)c1 ZINC000036087046 568949341 /nfs/dbraw/zinc/94/93/41/568949341.db2.gz JAGUFPVGVDHNPL-UHFFFAOYSA-N 1 1 437.475 1.278 50 0 IDAAMO Cc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094036 568950870 /nfs/dbraw/zinc/95/08/70/568950870.db2.gz DDNHBXRMPATSPK-UHFFFAOYSA-N 1 1 447.539 1.755 50 0 IDAAMO Cc1cccc(CN2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C(=O)C2=O)c1 ZINC000064888819 568979526 /nfs/dbraw/zinc/97/95/26/568979526.db2.gz LFFCMTMERWFUND-UHFFFAOYSA-N 1 1 434.540 1.510 50 0 IDAAMO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000064946996 568995020 /nfs/dbraw/zinc/99/50/20/568995020.db2.gz 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Cn1nc2nc(N3CC[NH+](CCN4CCOCC4)CC3)nc(-c3cccs3)c2c1N ZINC000037359372 569177246 /nfs/dbraw/zinc/17/72/46/569177246.db2.gz GNDNSUDHEXGXBC-UHFFFAOYSA-N 1 1 428.566 1.128 50 0 IDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000252538103 569190136 /nfs/dbraw/zinc/19/01/36/569190136.db2.gz MREGAIBSUBSRFS-OAQYLSRUSA-N 1 1 435.528 1.874 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000037448196 569197136 /nfs/dbraw/zinc/19/71/36/569197136.db2.gz QHXZUIGRIJFLNR-UYAOXDASSA-N 1 1 441.576 1.694 50 0 IDAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198399 569257397 /nfs/dbraw/zinc/25/73/97/569257397.db2.gz LQUJOZIAJWCDRL-KRWDZBQOSA-N 1 1 444.542 1.438 50 0 IDAAMO COc1cc(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)ccc1OCC(N)=O ZINC000253427190 569267388 /nfs/dbraw/zinc/26/73/88/569267388.db2.gz XGGYKVUTKZZSFY-UHFFFAOYSA-N 1 1 427.505 1.731 50 0 IDAAMO CCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 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COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000012099080 522770589 /nfs/dbraw/zinc/77/05/89/522770589.db2.gz FBBCZNZOAJZECK-SFHVURJKSA-N 1 1 443.548 1.957 50 0 IDAAMO C[N@@H+](C[C@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000021888525 523126650 /nfs/dbraw/zinc/12/66/50/523126650.db2.gz JLRHDWJPGFJCFO-OAHLLOKOSA-N 1 1 438.575 1.762 50 0 IDAAMO COCCC[N@H+](CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)Cc1ccco1 ZINC000021108526 523240871 /nfs/dbraw/zinc/24/08/71/523240871.db2.gz SSPZYSUEWYYIGO-UHFFFAOYSA-N 1 1 437.518 1.736 50 0 IDAAMO COCCC[N@@H+](CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)Cc1ccco1 ZINC000021108526 523240877 /nfs/dbraw/zinc/24/08/77/523240877.db2.gz SSPZYSUEWYYIGO-UHFFFAOYSA-N 1 1 437.518 1.736 50 0 IDAAMO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCCC[NH+]4CCOCC4)C3)n2)cc1 ZINC000020923923 523298630 /nfs/dbraw/zinc/29/86/30/523298630.db2.gz ORPSOWZJDOXXTM-SFHVURJKSA-N 1 1 429.521 1.800 50 0 IDAAMO COc1ccc(-c2noc(N3CCC(C(=O)NCCC[NH+]4CCN(C)CC4)CC3)n2)cc1 ZINC000020488472 523298954 /nfs/dbraw/zinc/29/89/54/523298954.db2.gz CTEXLOQRROCLPY-UHFFFAOYSA-N 1 1 442.564 1.715 50 0 IDAAMO COCCCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1nc1ccccn1c2=O ZINC000012421607 523498916 /nfs/dbraw/zinc/49/89/16/523498916.db2.gz BGOIXFLRHFRLMH-UHFFFAOYSA-N 1 1 427.505 1.138 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)c1 ZINC000035598091 524877559 /nfs/dbraw/zinc/87/75/59/524877559.db2.gz UOJGCZPQKITFRY-UHFFFAOYSA-N 1 1 444.517 1.499 50 0 IDAAMO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000035363874 524953527 /nfs/dbraw/zinc/95/35/27/524953527.db2.gz BDRXNLLNSXNAAR-ZCEGFOITSA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO Cc1ccc(S(=O)(=O)N(C)c2cncc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000021931425 525501096 /nfs/dbraw/zinc/50/10/96/525501096.db2.gz VIEXVVRAJDYAJA-UHFFFAOYSA-N 1 1 432.546 1.667 50 0 IDAAMO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000012756735 525892467 /nfs/dbraw/zinc/89/24/67/525892467.db2.gz NJUPLWWBBZLCBS-DEOSSOPVSA-N 1 1 438.503 1.980 50 0 IDAAMO Cc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]31)C(=O)N2 ZINC000035363886 526213962 /nfs/dbraw/zinc/21/39/62/526213962.db2.gz FJRWKXNZDUURGR-MAVLCVCESA-N 1 1 449.463 1.025 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000035363869 526221084 /nfs/dbraw/zinc/22/10/84/526221084.db2.gz OJLSSLQLXZDJDV-IFDTWAIBSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO c1ccc([C@@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)nc1 ZINC000020567795 526496114 /nfs/dbraw/zinc/49/61/14/526496114.db2.gz FVOLKPQFOHSUDI-OAQYLSRUSA-N 1 1 432.532 1.697 50 0 IDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1nnc([C@H]2CCCO2)s1 ZINC000044890650 526836856 /nfs/dbraw/zinc/83/68/56/526836856.db2.gz OATRMLNFIAGIKV-MRXNPFEDSA-N 1 1 430.534 1.856 50 0 IDAAMO Cc1nc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021795891 526970523 /nfs/dbraw/zinc/97/05/23/526970523.db2.gz RMGCSDQJNMSSLF-UHFFFAOYSA-N 1 1 440.504 1.747 50 0 IDAAMO Cn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cnc21 ZINC000012869228 527020686 /nfs/dbraw/zinc/02/06/86/527020686.db2.gz PQHVFELQZSOXSE-KRWDZBQOSA-N 1 1 427.892 1.842 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012449322 527100176 /nfs/dbraw/zinc/10/01/76/527100176.db2.gz QPZDFZFBVDJCAM-HSZRJFAPSA-N 1 1 435.572 1.549 50 0 IDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)N1CCN(Cc2cccnc2)CC1 ZINC000012449322 527100180 /nfs/dbraw/zinc/10/01/80/527100180.db2.gz QPZDFZFBVDJCAM-HSZRJFAPSA-N 1 1 435.572 1.549 50 0 IDAAMO O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012303962 527432101 /nfs/dbraw/zinc/43/21/01/527432101.db2.gz GNFHJSVLZFTRKB-JOCHJYFZSA-N 1 1 431.544 1.622 50 0 IDAAMO CC(C)[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1 ZINC000034677816 555796043 /nfs/dbraw/zinc/79/60/43/555796043.db2.gz PORWMBWHAQZLJR-OAQYLSRUSA-N 1 1 433.597 1.510 50 0 IDAAMO CC(C)[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1 ZINC000034677817 555796105 /nfs/dbraw/zinc/79/61/05/555796105.db2.gz PORWMBWHAQZLJR-NRFANRHFSA-N 1 1 433.597 1.510 50 0 IDAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000032759760 556320178 /nfs/dbraw/zinc/32/01/78/556320178.db2.gz ZIELZIUISFWXSI-IBGZPJMESA-N 1 1 434.537 1.834 50 0 IDAAMO CCOC(=O)C[C@@H]1COCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000011664012 556344625 /nfs/dbraw/zinc/34/46/25/556344625.db2.gz VOGLVQBYCUJUEW-MRXNPFEDSA-N 1 1 449.577 1.328 50 0 IDAAMO CN1CCN(c2ncncc2N2CCC(C(=O)NCC[N@@H+](C)C3CCCCC3)CC2)CC1 ZINC000065226926 556436462 /nfs/dbraw/zinc/43/64/62/556436462.db2.gz MDODAUXVTWKDDV-UHFFFAOYSA-N 1 1 443.640 1.826 50 0 IDAAMO Cc1ccc(CN2C[C@@H](C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)CC2=O)cc1 ZINC000030643771 556500789 /nfs/dbraw/zinc/50/07/89/556500789.db2.gz PPMBOCZRKMFSND-NRFANRHFSA-N 1 1 436.560 1.462 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)cc1C ZINC000013566291 556519121 /nfs/dbraw/zinc/51/91/21/556519121.db2.gz FKQCWLZBGNSHQU-SFHVURJKSA-N 1 1 439.578 1.243 50 0 IDAAMO CCn1cc(C(=O)NCCC(=O)NC[C@H]2CCC[N@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013627158 556537726 /nfs/dbraw/zinc/53/77/26/556537726.db2.gz HTDUSXVSSHKMRR-OAHLLOKOSA-N 1 1 442.516 1.471 50 0 IDAAMO Cc1nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671308 556542651 /nfs/dbraw/zinc/54/26/51/556542651.db2.gz BCICLGWYDSSENC-UHFFFAOYSA-N 1 1 437.953 1.786 50 0 IDAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671300 556542686 /nfs/dbraw/zinc/54/26/86/556542686.db2.gz BCZWXWOLLAXJCC-UHFFFAOYSA-N 1 1 433.534 1.141 50 0 IDAAMO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000015671301 556542743 /nfs/dbraw/zinc/54/27/43/556542743.db2.gz PJLCNALVXRTVBM-UHFFFAOYSA-N 1 1 437.953 1.786 50 0 IDAAMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000072305215 556550276 /nfs/dbraw/zinc/55/02/76/556550276.db2.gz QSRGEJLNSSSVCS-SFHVURJKSA-N 1 1 440.585 1.465 50 0 IDAAMO C[C@@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C[NH+]1CCOCC1 ZINC000072306615 556558409 /nfs/dbraw/zinc/55/84/09/556558409.db2.gz UEMJKBZVKVZLFW-IFXJQAMLSA-N 1 1 440.338 1.001 50 0 IDAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015868856 556559707 /nfs/dbraw/zinc/55/97/07/556559707.db2.gz RAEXTXVXOHFVLD-UHFFFAOYSA-N 1 1 438.015 1.612 50 0 IDAAMO C[C@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016010091 556573823 /nfs/dbraw/zinc/57/38/23/556573823.db2.gz PWWIMLJAYVPOBC-RKSLUDBYSA-N 1 1 443.862 1.781 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016033979 556577131 /nfs/dbraw/zinc/57/71/31/556577131.db2.gz BBRJAESPJYCZMT-ARGWBDOXSA-N 1 1 427.407 1.266 50 0 IDAAMO O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016044967 556579218 /nfs/dbraw/zinc/57/92/18/556579218.db2.gz ZCCJOWYLNYHIAG-QFIPXVFZSA-N 1 1 445.523 1.975 50 0 IDAAMO O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCOCC1 ZINC000032987712 556607974 /nfs/dbraw/zinc/60/79/74/556607974.db2.gz CFNRTKBDRJJBEC-UHFFFAOYSA-N 1 1 437.497 1.285 50 0 IDAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000032921826 556642440 /nfs/dbraw/zinc/64/24/40/556642440.db2.gz ZWUVSTHFULZESQ-UHFFFAOYSA-N 1 1 438.528 1.599 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000248080467 556661072 /nfs/dbraw/zinc/66/10/72/556661072.db2.gz PJSFWMUDPZRYJK-ZWKOTPCHSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000248080467 556661074 /nfs/dbraw/zinc/66/10/74/556661074.db2.gz PJSFWMUDPZRYJK-ZWKOTPCHSA-N 1 1 426.483 1.892 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000248080467 556661076 /nfs/dbraw/zinc/66/10/76/556661076.db2.gz PJSFWMUDPZRYJK-ZWKOTPCHSA-N 1 1 426.483 1.892 50 0 IDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966794 556689002 /nfs/dbraw/zinc/68/90/02/556689002.db2.gz IZEOGQRUXOOHDV-OAQYLSRUSA-N 1 1 429.565 1.393 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000045966794 556689006 /nfs/dbraw/zinc/68/90/06/556689006.db2.gz IZEOGQRUXOOHDV-OAQYLSRUSA-N 1 1 429.565 1.393 50 0 IDAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)cc2)cc1OC ZINC000019210507 556708868 /nfs/dbraw/zinc/70/88/68/556708868.db2.gz KUXAMKIFXHZGIP-UHFFFAOYSA-N 1 1 447.557 1.982 50 0 IDAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000019220850 556715114 /nfs/dbraw/zinc/71/51/14/556715114.db2.gz BACFPSIJHDFYFN-SFHVURJKSA-N 1 1 425.530 1.730 50 0 IDAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000019220850 556715115 /nfs/dbraw/zinc/71/51/15/556715115.db2.gz BACFPSIJHDFYFN-SFHVURJKSA-N 1 1 425.530 1.730 50 0 IDAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cn(CC(N)=O)c4ccccc34)C[C@@H]2CCO)CC1 ZINC000019228285 556717483 /nfs/dbraw/zinc/71/74/83/556717483.db2.gz GPYKRHSWJVAGPT-QFIPXVFZSA-N 1 1 441.620 1.868 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000138545961 556718861 /nfs/dbraw/zinc/71/88/61/556718861.db2.gz HUDGZKHOKLTZCH-LEWJJULVSA-N 1 1 435.411 1.986 50 0 IDAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000138545961 556718863 /nfs/dbraw/zinc/71/88/63/556718863.db2.gz HUDGZKHOKLTZCH-LEWJJULVSA-N 1 1 435.411 1.986 50 0 IDAAMO O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000206237004 556748623 /nfs/dbraw/zinc/74/86/23/556748623.db2.gz HIAIKYRZDCHHAF-OAQYLSRUSA-N 1 1 435.528 1.322 50 0 IDAAMO C[NH+]1CCN(C(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)c2=O)CC1 ZINC000033068519 556823416 /nfs/dbraw/zinc/82/34/16/556823416.db2.gz OHYWRINNAJZGSD-UHFFFAOYSA-N 1 1 426.904 1.639 50 0 IDAAMO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000019733283 556876922 /nfs/dbraw/zinc/87/69/22/556876922.db2.gz LDMWUUPBLBFGSP-OAHLLOKOSA-N 1 1 438.303 1.518 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ncn2)CC1 ZINC000072117630 556898151 /nfs/dbraw/zinc/89/81/51/556898151.db2.gz NGDZREDKBJFPRP-UHFFFAOYSA-N 1 1 430.940 1.609 50 0 IDAAMO C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)ncn2)CC1 ZINC000072119221 556898399 /nfs/dbraw/zinc/89/83/99/556898399.db2.gz XVOCWXOQLGKKBB-UHFFFAOYSA-N 1 1 436.969 1.393 50 0 IDAAMO CC1=C(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)OCCO1 ZINC000019794849 556915871 /nfs/dbraw/zinc/91/58/71/556915871.db2.gz GRTGBANGHLOOCJ-LJQANCHMSA-N 1 1 429.517 1.802 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000020027267 556967363 /nfs/dbraw/zinc/96/73/63/556967363.db2.gz FFHNLEARRVNUGE-OAQYLSRUSA-N 1 1 425.485 1.917 50 0 IDAAMO COc1cc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc(OC)c1 ZINC000072436995 556972754 /nfs/dbraw/zinc/97/27/54/556972754.db2.gz BCYCZDYEZRLFNP-UHFFFAOYSA-N 1 1 428.493 1.685 50 0 IDAAMO COc1cc(CN2CCN(Cc3nccn3C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000020204565 556998038 /nfs/dbraw/zinc/99/80/38/556998038.db2.gz QTYPMICCGLLLBA-NRFANRHFSA-N 1 1 445.608 1.826 50 0 IDAAMO Cn1c(NCCC[NH+]2CCOCC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000023115183 557005540 /nfs/dbraw/zinc/00/55/40/557005540.db2.gz QHZNGKLOAGFNNH-UHFFFAOYSA-N 1 1 446.939 1.270 50 0 IDAAMO OCC[NH+]1CCN(c2ncnc3c4c5c(c(N6CCOCC6)nc4sc32)CCC5)CC1 ZINC000020391699 557012602 /nfs/dbraw/zinc/01/26/02/557012602.db2.gz VACQYJGMWIXCLR-UHFFFAOYSA-N 1 1 440.573 1.679 50 0 IDAAMO Cn1c2nc3n(cc(-c4ccc(Cl)cc4)n3CC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000020392957 557013143 /nfs/dbraw/zinc/01/31/43/557013143.db2.gz BIDXPCJHKYXMAP-UHFFFAOYSA-N 1 1 442.907 1.339 50 0 IDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@H](C)O1 ZINC000023113490 557064011 /nfs/dbraw/zinc/06/40/11/557064011.db2.gz WCBJNPWTDHKEBU-HDICACEKSA-N 1 1 428.533 1.940 50 0 IDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C[C@H](C)O1 ZINC000023113490 557064016 /nfs/dbraw/zinc/06/40/16/557064016.db2.gz WCBJNPWTDHKEBU-HDICACEKSA-N 1 1 428.533 1.940 50 0 IDAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000024678222 557123081 /nfs/dbraw/zinc/12/30/81/557123081.db2.gz AZIMOXGQKVMVFB-SFHVURJKSA-N 1 1 431.581 1.130 50 0 IDAAMO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000024678222 557123085 /nfs/dbraw/zinc/12/30/85/557123085.db2.gz AZIMOXGQKVMVFB-SFHVURJKSA-N 1 1 431.581 1.130 50 0 IDAAMO C[NH+]1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000024985354 557186123 /nfs/dbraw/zinc/18/61/23/557186123.db2.gz NXCBMQBUNMDVLW-NRFANRHFSA-N 1 1 431.496 1.729 50 0 IDAAMO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000026193058 557237060 /nfs/dbraw/zinc/23/70/60/557237060.db2.gz PZGJPQWJNSCNRW-HZPDHXFCSA-N 1 1 428.530 1.126 50 0 IDAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000069951465 557239384 /nfs/dbraw/zinc/23/93/84/557239384.db2.gz BUQNMFORHCPSJC-UHFFFAOYSA-N 1 1 447.495 1.615 50 0 IDAAMO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000583652701 557242273 /nfs/dbraw/zinc/24/22/73/557242273.db2.gz BSQQUWMOHZIHOC-SJORKVTESA-N 1 1 433.512 1.665 50 0 biogenic IDAAMO O=c1occ(C[NH+]2CCCCCC2)c(O)c1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000101374573 557280941 /nfs/dbraw/zinc/28/09/41/557280941.db2.gz YRRZOAXMZNQRFR-GOSISDBHSA-N 1 1 439.578 1.026 50 0 IDAAMO C[NH+]1CCN(CCCNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000101703809 557294249 /nfs/dbraw/zinc/29/42/49/557294249.db2.gz BNSLJZAGVNVMMD-UHFFFAOYSA-N 1 1 431.968 1.312 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223213820 557446771 /nfs/dbraw/zinc/44/67/71/557446771.db2.gz DRPSCVHHBIGXSV-QZTJIDSGSA-N 1 1 446.548 1.547 50 0 IDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000105352201 557495821 /nfs/dbraw/zinc/49/58/21/557495821.db2.gz UXKZVKPESZJUQE-POKHYADKSA-N 1 1 436.306 1.350 50 0 IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000105379220 557496869 /nfs/dbraw/zinc/49/68/69/557496869.db2.gz WZMLRSVHAXQUKU-HEIFXHCZSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO O=C(CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(F)c1)N1CCNCC1 ZINC000045945211 557553496 /nfs/dbraw/zinc/55/34/96/557553496.db2.gz PKBUITJCTASRGQ-UHFFFAOYSA-N 1 1 426.558 1.124 50 0 IDAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCOCC3)CC2)c1C ZINC000045973940 557555743 /nfs/dbraw/zinc/55/57/43/557555743.db2.gz MESLJFBEWNHMSV-UHFFFAOYSA-N 1 1 448.564 1.499 50 0 IDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000045974508 557556406 /nfs/dbraw/zinc/55/64/06/557556406.db2.gz TZGXHFOYZOAPMS-HXUWFJFHSA-N 1 1 436.622 1.717 50 0 IDAAMO Cc1ccc(C)c(S(=O)(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)c1 ZINC000045974706 557556716 /nfs/dbraw/zinc/55/67/16/557556716.db2.gz GYMCTTNECCQVRH-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412830 557845261 /nfs/dbraw/zinc/84/52/61/557845261.db2.gz FOBCPXCGCDBSHZ-AOIWGVFYSA-N 1 1 438.569 1.118 50 0 IDAAMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000240412830 557845266 /nfs/dbraw/zinc/84/52/66/557845266.db2.gz FOBCPXCGCDBSHZ-AOIWGVFYSA-N 1 1 438.569 1.118 50 0 IDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 ZINC000241144865 557846015 /nfs/dbraw/zinc/84/60/15/557846015.db2.gz JTTBRRGIJWAMCM-QFUCXCTJSA-N 1 1 432.613 1.498 50 0 IDAAMO COC(=O)C1(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170953 557846183 /nfs/dbraw/zinc/84/61/83/557846183.db2.gz KDBWAJVOTHJVRM-IYBDPMFKSA-N 1 1 438.546 1.146 50 0 IDAAMO COC(=O)C1(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CCS(=O)(=O)CC1 ZINC000241170953 557846185 /nfs/dbraw/zinc/84/61/85/557846185.db2.gz KDBWAJVOTHJVRM-IYBDPMFKSA-N 1 1 438.546 1.146 50 0 IDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009765487 562976713 /nfs/dbraw/zinc/97/67/13/562976713.db2.gz RJCYLWLSJYTKKN-FQEVSTJZSA-N 1 1 429.542 1.712 50 0 IDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038774 568634223 /nfs/dbraw/zinc/63/42/23/568634223.db2.gz KZDFDXUFRPYWIY-MRXNPFEDSA-N 1 1 432.546 1.630 50 0 IDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038774 568634225 /nfs/dbraw/zinc/63/42/25/568634225.db2.gz KZDFDXUFRPYWIY-MRXNPFEDSA-N 1 1 432.546 1.630 50 0 IDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038777 568634295 /nfs/dbraw/zinc/63/42/95/568634295.db2.gz KZDFDXUFRPYWIY-INIZCTEOSA-N 1 1 432.546 1.630 50 0 IDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038777 568634299 /nfs/dbraw/zinc/63/42/99/568634299.db2.gz KZDFDXUFRPYWIY-INIZCTEOSA-N 1 1 432.546 1.630 50 0 IDAAMO COc1cccc(-c2cc3n(n2)[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CNC3=O)c1 ZINC000263615011 568775603 /nfs/dbraw/zinc/77/56/03/568775603.db2.gz ADSUPTKBIOBMGH-FQEVSTJZSA-N 1 1 441.513 1.280 50 0 IDAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ncn4c3CO[C@H](c3ccccc3)C4)CC2)CC1 ZINC000263618822 568777886 /nfs/dbraw/zinc/77/78/86/568777886.db2.gz VRVXMXJWEDEVBO-NRFANRHFSA-N 1 1 437.544 1.781 50 0 IDAAMO CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000084774485 568801360 /nfs/dbraw/zinc/80/13/60/568801360.db2.gz GRIRDPJDBHHMAY-QGZVFWFLSA-N 1 1 440.610 1.816 50 0 IDAAMO CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000084774485 568801362 /nfs/dbraw/zinc/80/13/62/568801362.db2.gz GRIRDPJDBHHMAY-QGZVFWFLSA-N 1 1 440.610 1.816 50 0 IDAAMO CSc1ccc(CCNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)cc1 ZINC000015678774 568805461 /nfs/dbraw/zinc/80/54/61/568805461.db2.gz CNNGEFJUQJOSDV-UHFFFAOYSA-N 1 1 439.589 1.890 50 0 IDAAMO CC(C)[NH+]1CCC(N2CCN(Cc3cn(CC(N)=O)c4ccccc34)C[C@H]2CCO)CC1 ZINC000104635095 568837098 /nfs/dbraw/zinc/83/70/98/568837098.db2.gz GPYKRHSWJVAGPT-JOCHJYFZSA-N 1 1 441.620 1.868 50 0 IDAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000015953686 568860083 /nfs/dbraw/zinc/86/00/83/568860083.db2.gz GNHWIJRBWFZPSH-MDTICMOCSA-N 1 1 431.448 1.889 50 0 biogenic IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000015968491 568861337 /nfs/dbraw/zinc/86/13/37/568861337.db2.gz TYWOLZGGOZTIIF-FHZNGLGWSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000016026187 568864528 /nfs/dbraw/zinc/86/45/28/568864528.db2.gz NOQMWPSDBROJAC-NARGUJOISA-N 1 1 432.480 1.099 50 0 biogenic IDAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016032930 568867637 /nfs/dbraw/zinc/86/76/37/568867637.db2.gz OKERUZQAHHXNIF-YLSATLEASA-N 1 1 439.899 1.684 50 0 biogenic IDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016033016 568867665 /nfs/dbraw/zinc/86/76/65/568867665.db2.gz XJBNWBJVVISKKM-NRGSMNHXSA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO CCOC(=O)[C@@H]1CCCN(CC2=NC(=O)N[C@H](c3cccc(OC)c3)C2C(=O)OC)C1 ZINC000226946159 568885450 /nfs/dbraw/zinc/88/54/50/568885450.db2.gz KSXXJFYABFYKSQ-DNVCBOLYSA-N 1 1 431.489 1.751 50 0 IDAAMO O=C(CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 ZINC000013010180 568899938 /nfs/dbraw/zinc/89/99/38/568899938.db2.gz YDDGHDVTPGOWCO-UHFFFAOYSA-N 1 1 440.541 1.681 50 0 IDAAMO O=C(CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NC(=O)NC1CCCC1 ZINC000013010180 568899940 /nfs/dbraw/zinc/89/99/40/568899940.db2.gz YDDGHDVTPGOWCO-UHFFFAOYSA-N 1 1 440.541 1.681 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000239305897 568911128 /nfs/dbraw/zinc/91/11/28/568911128.db2.gz GEEQKJAEZUJADN-LSDHHAIUSA-N 1 1 437.591 1.693 50 0 IDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000245327357 568915000 /nfs/dbraw/zinc/91/50/00/568915000.db2.gz OPNZIEVNEBUACP-DYXJXGRVSA-N 1 1 436.306 1.349 50 0 IDAAMO C[C@H](c1ccccc1)n1c(=O)c(C(=O)N2CC[NH+](C)CC2)nn(-c2ccccc2F)c1=O ZINC000036085412 568947924 /nfs/dbraw/zinc/94/79/24/568947924.db2.gz KVBVHSGFCIQSGM-MRXNPFEDSA-N 1 1 437.475 1.530 50 0 IDAAMO Cc1cccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3ccc(F)cc3)c2=O)c1 ZINC000036085546 568948116 /nfs/dbraw/zinc/94/81/16/568948116.db2.gz GDJFBCKVVJMLCQ-UHFFFAOYSA-N 1 1 437.475 1.278 50 0 IDAAMO Cc1ccc(Cn2c(=O)c(C(=O)N3CC[NH+](C)CC3)nn(-c3cccc(F)c3)c2=O)cc1 ZINC000036088443 568950372 /nfs/dbraw/zinc/95/03/72/568950372.db2.gz FVATTYYAGQBHMT-UHFFFAOYSA-N 1 1 437.475 1.278 50 0 IDAAMO CCN1CCN(C(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)CC1 ZINC000064835873 568968914 /nfs/dbraw/zinc/96/89/14/568968914.db2.gz BKBNJAAATFWITM-UHFFFAOYSA-N 1 1 448.571 1.852 50 0 IDAAMO COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@@H+](C)CC3)c2=O)cc1 ZINC000065212603 569116905 /nfs/dbraw/zinc/11/69/05/569116905.db2.gz SNLOOEKYPZYQOS-UHFFFAOYSA-N 1 1 448.545 1.130 50 0 IDAAMO C[NH+]1CCN(C(=O)CN2c3ccc(S(=O)(=O)N4CCCCC4)cc3C(C)(C)C2=O)CC1 ZINC000065314782 569135588 /nfs/dbraw/zinc/13/55/88/569135588.db2.gz WBROFCHVVVVYRJ-UHFFFAOYSA-N 1 1 448.589 1.259 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000007525173 569145228 /nfs/dbraw/zinc/14/52/28/569145228.db2.gz VJUYGIQBTIRLEU-INIZCTEOSA-N 1 1 425.551 1.411 50 0 IDAAMO O=C(NCC1CC1)[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159709 /nfs/dbraw/zinc/15/97/09/569159709.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCC1CC1)[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159710 /nfs/dbraw/zinc/15/97/10/569159710.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CC2(CN3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159711 /nfs/dbraw/zinc/15/97/11/569159711.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CC2(CN3CCC[C@H](C(=O)NCC4CC4)C3)COC2)C1 ZINC000089598104 569159712 /nfs/dbraw/zinc/15/97/12/569159712.db2.gz ODJIDGNALLTFAK-SZPZYZBQSA-N 1 1 446.636 1.479 50 0 IDAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178522 569175625 /nfs/dbraw/zinc/17/56/25/569175625.db2.gz KNRRABRWGGRAQL-NRFANRHFSA-N 1 1 425.485 1.976 50 0 IDAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178522 569175626 /nfs/dbraw/zinc/17/56/26/569175626.db2.gz KNRRABRWGGRAQL-NRFANRHFSA-N 1 1 425.485 1.976 50 0 IDAAMO COc1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccccc2OC)CC1 ZINC000019913296 569181026 /nfs/dbraw/zinc/18/10/26/569181026.db2.gz SBVOXBJBJCUZFP-PMACEKPBSA-N 1 1 446.544 1.501 50 0 IDAAMO COc1cccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000013371509 569315054 /nfs/dbraw/zinc/31/50/54/569315054.db2.gz QRJALOSGTYJRFC-OALUTQOASA-N 1 1 427.519 1.606 50 0 IDAAMO Cc1cn2c(nc3c2c(=O)n(C/C=C/c2ccccc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000019201014 569316585 /nfs/dbraw/zinc/31/65/85/569316585.db2.gz CWNDNMIQRNPCSL-RMKNXTFCSA-N 1 1 448.527 1.503 50 0 IDAAMO CC[N@@H+](CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)Cc1ccccc1 ZINC000020103709 569334125 /nfs/dbraw/zinc/33/41/25/569334125.db2.gz ANVOLEHDONKYLM-UHFFFAOYSA-N 1 1 449.555 1.931 50 0 IDAAMO Cc1nc2c(c(C)c1CCC(=O)NCC[N@H+]1CCc3ccccc3C1)c(=O)n(C)c(=O)n2C ZINC000020284090 569358953 /nfs/dbraw/zinc/35/89/53/569358953.db2.gz IXAJBPFZGLAQMT-UHFFFAOYSA-N 1 1 449.555 1.356 50 0 IDAAMO COc1ccc(CCNC(=O)C(=O)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000020287718 569359237 /nfs/dbraw/zinc/35/92/37/569359237.db2.gz CEMMMOHRRJMDMP-LAUBAEHRSA-N 1 1 444.601 1.909 50 0 IDAAMO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020347392 569361137 /nfs/dbraw/zinc/36/11/37/569361137.db2.gz SRZSUVAPPCPMOH-SFHVURJKSA-N 1 1 430.501 1.990 50 0 IDAAMO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020347395 569361156 /nfs/dbraw/zinc/36/11/56/569361156.db2.gz SRZSUVAPPCPMOH-GOSISDBHSA-N 1 1 430.501 1.990 50 0 IDAAMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000095459717 569369481 /nfs/dbraw/zinc/36/94/81/569369481.db2.gz LVIHGPVJYXIAIX-HZPDHXFCSA-N 1 1 439.503 1.811 50 0 IDAAMO CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000095464878 569370528 /nfs/dbraw/zinc/37/05/28/569370528.db2.gz IPEIHWBCFPQXOF-HKUYNNGSSA-N 1 1 430.549 1.437 50 0 IDAAMO O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096224292 569387374 /nfs/dbraw/zinc/38/73/74/569387374.db2.gz SZSIDDMMRAUSMM-NRFANRHFSA-N 1 1 435.528 1.322 50 0 IDAAMO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000096232720 569387892 /nfs/dbraw/zinc/38/78/92/569387892.db2.gz NYABTHJWPWMUDG-IBGZPJMESA-N 1 1 425.489 1.262 50 0 IDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000031906476 569458413 /nfs/dbraw/zinc/45/84/13/569458413.db2.gz WOPQIIXAPSDSGI-KRWDZBQOSA-N 1 1 442.951 1.811 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccc(OC)cc4)c(=O)c3s2)CC1 ZINC000067225947 569465201 /nfs/dbraw/zinc/46/52/01/569465201.db2.gz JEPKEEOOYRFXCS-UHFFFAOYSA-N 1 1 442.545 1.320 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)NCc4ccccc4F)c(=O)c3s2)CC1 ZINC000067319309 569468511 /nfs/dbraw/zinc/46/85/11/569468511.db2.gz IZJFNCHNXPIRRX-UHFFFAOYSA-N 1 1 430.509 1.450 50 0 IDAAMO CC(C)C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)[NH+]1CCOCC1 ZINC000040072735 569485990 /nfs/dbraw/zinc/48/59/90/569485990.db2.gz IMBADQSSJBXBFC-IBGZPJMESA-N 1 1 438.594 1.345 50 0 IDAAMO CCN(C(=O)C[N@@H+](C)Cc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000009507235 569541938 /nfs/dbraw/zinc/54/19/38/569541938.db2.gz SFKYMSIZRGRVQL-UHFFFAOYSA-N 1 1 435.528 1.960 50 0 IDAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009619311 569553448 /nfs/dbraw/zinc/55/34/48/569553448.db2.gz SAVAVYUUSCIMOP-HXUWFJFHSA-N 1 1 432.546 1.822 50 0 IDAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009619311 569553449 /nfs/dbraw/zinc/55/34/49/569553449.db2.gz SAVAVYUUSCIMOP-HXUWFJFHSA-N 1 1 432.546 1.822 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775719 569567019 /nfs/dbraw/zinc/56/70/19/569567019.db2.gz UQVCDKDNTXUWQD-INIZCTEOSA-N 1 1 433.578 1.572 50 0 IDAAMO CCN1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000045974490 569586967 /nfs/dbraw/zinc/58/69/67/569586967.db2.gz GTZHVNHIQXXSCQ-HXUWFJFHSA-N 1 1 436.622 1.519 50 0 IDAAMO CC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)co2)CC1 ZINC000034677739 569587527 /nfs/dbraw/zinc/58/75/27/569587527.db2.gz QZIAYVDQRJVKIU-HXUWFJFHSA-N 1 1 433.597 1.654 50 0 IDAAMO C[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036249784 569587974 /nfs/dbraw/zinc/58/79/74/569587974.db2.gz IUHIYEAYFJBRMB-IBGZPJMESA-N 1 1 430.549 1.693 50 0 IDAAMO Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3CCc3ccccc3)CC2)n1 ZINC000011814414 132340487 /nfs/dbraw/zinc/34/04/87/132340487.db2.gz JUTDKLKZAMYFIW-OAQYLSRUSA-N 1 1 436.560 1.175 50 0 IDAAMO Cc1cnc(C)c(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCc3ccccc3)CC2)n1 ZINC000011814414 132340488 /nfs/dbraw/zinc/34/04/88/132340488.db2.gz JUTDKLKZAMYFIW-OAQYLSRUSA-N 1 1 436.560 1.175 50 0 IDAAMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012569349 518460552 /nfs/dbraw/zinc/46/05/52/518460552.db2.gz ZMGUORZZFJIZEF-UHFFFAOYSA-N 1 1 429.542 1.902 50 0 IDAAMO CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2C[C@H]1C ZINC000021867925 519638795 /nfs/dbraw/zinc/63/87/95/519638795.db2.gz SGZLTXIMJFSVGI-MRXNPFEDSA-N 1 1 448.589 1.159 50 0 IDAAMO CCOC(=O)C1CCN(C(=O)c2cccn2-c2nnc(N3CC[NH+](CC)CC3)s2)CC1 ZINC000021535341 520571845 /nfs/dbraw/zinc/57/18/45/520571845.db2.gz CWCGEDCHXITEIJ-UHFFFAOYSA-N 1 1 446.577 1.886 50 0 IDAAMO CC1(C)Cc2c(sc3ncn4nc(C(=O)NCCC[NH+]5CCOCC5)nc4c23)CO1 ZINC000020517580 520576864 /nfs/dbraw/zinc/57/68/64/520576864.db2.gz VYPCIGGDQHLWCS-UHFFFAOYSA-N 1 1 430.534 1.642 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCOCC3)n2C)c1 ZINC000035561009 520815716 /nfs/dbraw/zinc/81/57/16/520815716.db2.gz NOJIXMAUTDGLAG-UHFFFAOYSA-N 1 1 436.578 1.661 50 0 IDAAMO CC[N@@H+](CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)Cc1ccccc1 ZINC000020804775 521016403 /nfs/dbraw/zinc/01/64/03/521016403.db2.gz OMHISGYXNVPUBD-UHFFFAOYSA-N 1 1 435.528 1.541 50 0 IDAAMO CCCc1cc(=O)n2nc(N3CCC(C(=O)NC[C@H]4CCC[N@H+]4CC)CC3)sc2n1 ZINC000021165932 521345487 /nfs/dbraw/zinc/34/54/87/521345487.db2.gz VQYLEZBLMLXKID-QGZVFWFLSA-N 1 1 432.594 1.920 50 0 IDAAMO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)sc2n1 ZINC000021165844 521345736 /nfs/dbraw/zinc/34/57/36/521345736.db2.gz QYWHKVUHHDCMGP-UHFFFAOYSA-N 1 1 448.593 1.158 50 0 IDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000012469090 521482993 /nfs/dbraw/zinc/48/29/93/521482993.db2.gz HQHOJDCECBCHFF-KRWDZBQOSA-N 1 1 436.468 1.475 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000021868231 521680274 /nfs/dbraw/zinc/68/02/74/521680274.db2.gz MZXNWHDLDIPVJS-UHFFFAOYSA-N 1 1 430.505 1.731 50 0 IDAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c3s2)CC1 ZINC000021886410 521701600 /nfs/dbraw/zinc/70/16/00/521701600.db2.gz OBUNWCOTCCZKLX-UHFFFAOYSA-N 1 1 442.501 1.362 50 0 IDAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)cc1OC)CC2)C(C)C ZINC000012099952 522777553 /nfs/dbraw/zinc/77/75/53/522777553.db2.gz WPYBJPOLGSNCDQ-NRFANRHFSA-N 1 1 431.537 1.813 50 0 IDAAMO CCn1c(C(=O)NCCC[NH+]2CCN(CC)CC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561290 523115309 /nfs/dbraw/zinc/11/53/09/523115309.db2.gz BJPPPWQDKVVPKU-UHFFFAOYSA-N 1 1 449.621 1.669 50 0 IDAAMO C[N@H+]1CCC[C@H](C(=O)NCCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1 ZINC000012182964 523838009 /nfs/dbraw/zinc/83/80/09/523838009.db2.gz YZLVZRORFDZNKY-SFHVURJKSA-N 1 1 430.984 1.990 50 0 IDAAMO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020776439 524003412 /nfs/dbraw/zinc/00/34/12/524003412.db2.gz BERYRQSPPGXEHE-QFIPXVFZSA-N 1 1 428.577 1.752 50 0 IDAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000020776439 524003418 /nfs/dbraw/zinc/00/34/18/524003418.db2.gz BERYRQSPPGXEHE-QFIPXVFZSA-N 1 1 428.577 1.752 50 0 IDAAMO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000020610713 524020371 /nfs/dbraw/zinc/02/03/71/524020371.db2.gz JBPHKLSPHJFFQO-BQJJVBGXSA-N 1 1 449.507 1.613 50 0 biogenic IDAAMO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2c1cccc2C ZINC000020610505 524445202 /nfs/dbraw/zinc/44/52/02/524445202.db2.gz PPCAFGJIMNCBIO-XYQTXAPISA-N 1 1 435.480 1.305 50 0 biogenic IDAAMO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(C)nc4c3c(=O)n(C)c(=O)n4C)C2)cc1 ZINC000035505631 524468189 /nfs/dbraw/zinc/46/81/89/524468189.db2.gz UJNBXEZGBWPJOM-SFHVURJKSA-N 1 1 435.528 1.501 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@@H+]1C ZINC000020599211 524484520 /nfs/dbraw/zinc/48/45/20/524484520.db2.gz KRVIOXVTIXKQKF-UQBPGWFLSA-N 1 1 434.540 1.874 50 0 IDAAMO C[C@H]1CN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)CC[N@H+]1C ZINC000020599211 524484523 /nfs/dbraw/zinc/48/45/23/524484523.db2.gz KRVIOXVTIXKQKF-UQBPGWFLSA-N 1 1 434.540 1.874 50 0 IDAAMO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000012521211 524696439 /nfs/dbraw/zinc/69/64/39/524696439.db2.gz PYKISOWQRPCVJN-UHFFFAOYSA-N 1 1 433.530 1.948 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000035374681 526221402 /nfs/dbraw/zinc/22/14/02/526221402.db2.gz OJBPQRSSQGMMPR-VBXZMTOYSA-N 1 1 437.471 1.744 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000035374677 526221916 /nfs/dbraw/zinc/22/19/16/526221916.db2.gz OJBPQRSSQGMMPR-RMIXQUSFSA-N 1 1 437.471 1.744 50 0 IDAAMO O=C(NCCCn1ncc2ccccc21)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020535434 526293905 /nfs/dbraw/zinc/29/39/05/526293905.db2.gz VFRAJROGXARWEU-HXUWFJFHSA-N 1 1 427.549 1.504 50 0 IDAAMO O=C(C[N@@H+]1CCN2c3ccccc3C[C@@H](C(=O)NC3CCCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035894248 526785690 /nfs/dbraw/zinc/78/56/90/526785690.db2.gz GNGSQQRDFVJLAD-GGAORHGYSA-N 1 1 440.588 1.657 50 0 IDAAMO O=C(C[N@H+]1CCN2c3ccccc3C[C@@H](C(=O)NC3CCCCC3)[C@@H]2C1)N1CCOCC1 ZINC000035894248 526785695 /nfs/dbraw/zinc/78/56/95/526785695.db2.gz GNGSQQRDFVJLAD-GGAORHGYSA-N 1 1 440.588 1.657 50 0 IDAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000012913432 526886892 /nfs/dbraw/zinc/88/68/92/526886892.db2.gz ZDFVCQMYVDLFRK-GHTZIAJQSA-N 1 1 433.599 1.758 50 0 IDAAMO O=C(CSc1nc(=O)n(CCC[NH+]2CCOCC2)c2c1CCC2)Nc1nccs1 ZINC000022908998 527053276 /nfs/dbraw/zinc/05/32/76/527053276.db2.gz YSPYNJACZSAICR-UHFFFAOYSA-N 1 1 435.575 1.642 50 0 IDAAMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012532942 527314669 /nfs/dbraw/zinc/31/46/69/527314669.db2.gz FLVOKCBEQCUJRT-SFHVURJKSA-N 1 1 444.557 1.175 50 0 IDAAMO Cn1cccc1-c1cc2n(n1)CCCN2C(=O)CCC(=O)NCCC[NH+]1CCOCC1 ZINC000021532958 527383333 /nfs/dbraw/zinc/38/33/33/527383333.db2.gz JRBHGFBJIRDNDU-UHFFFAOYSA-N 1 1 428.537 1.244 50 0 IDAAMO OCCN1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000022851905 527553469 /nfs/dbraw/zinc/55/34/69/527553469.db2.gz ACRMZUVPFMGAPZ-DEOSSOPVSA-N 1 1 425.573 1.595 50 0 IDAAMO OCCN1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000022851905 527553475 /nfs/dbraw/zinc/55/34/75/527553475.db2.gz ACRMZUVPFMGAPZ-DEOSSOPVSA-N 1 1 425.573 1.595 50 0 IDAAMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677088 555795084 /nfs/dbraw/zinc/79/50/84/555795084.db2.gz BRXPJCOIOPMAEI-FQEVSTJZSA-N 1 1 429.565 1.423 50 0 IDAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677355 555795807 /nfs/dbraw/zinc/79/58/07/555795807.db2.gz QTVNLZOPARWKRB-IBGZPJMESA-N 1 1 434.512 1.647 50 0 IDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034811480 555909138 /nfs/dbraw/zinc/90/91/38/555909138.db2.gz FMBGXFCKUYJDIT-UHFFFAOYSA-N 1 1 431.924 1.645 50 0 IDAAMO COc1cc(C[NH2+]CCN2CCOC2=O)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011955355 556380612 /nfs/dbraw/zinc/38/06/12/556380612.db2.gz AJWMJDCPGOYFJO-QGZVFWFLSA-N 1 1 425.551 1.026 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC ZINC000011997479 556384512 /nfs/dbraw/zinc/38/45/12/556384512.db2.gz OZUPFMQBXVKHCC-MRXNPFEDSA-N 1 1 443.548 1.957 50 0 IDAAMO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[N@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000012024446 556387523 /nfs/dbraw/zinc/38/75/23/556387523.db2.gz IHWZYXFYBLVLFE-IBGZPJMESA-N 1 1 433.549 1.279 50 0 IDAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3(O)CCCCC3)c(=O)[nH]2)C1 ZINC000014960513 556463828 /nfs/dbraw/zinc/46/38/28/556463828.db2.gz YVEMNAFCIVGPKJ-SFHVURJKSA-N 1 1 446.592 1.880 50 0 IDAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000029196736 556469891 /nfs/dbraw/zinc/46/98/91/556469891.db2.gz SWLSOUBVEYWQAV-UHFFFAOYSA-N 1 1 445.608 1.266 50 0 IDAAMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000029196736 556469898 /nfs/dbraw/zinc/46/98/98/556469898.db2.gz SWLSOUBVEYWQAV-UHFFFAOYSA-N 1 1 445.608 1.266 50 0 IDAAMO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@H+](Cc1ccccc1C)CC2 ZINC000014993005 556475865 /nfs/dbraw/zinc/47/58/65/556475865.db2.gz MNXQDRBPRPFUMS-LJQANCHMSA-N 1 1 425.529 1.821 50 0 IDAAMO 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/nfs/dbraw/zinc/71/82/05/556718205.db2.gz URYPYYXIOGGEMR-QFIPXVFZSA-N 1 1 435.609 1.931 50 0 IDAAMO COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC[C@@H](O)CN1CCN(C)CC1 ZINC000019229510 556718209 /nfs/dbraw/zinc/71/82/09/556718209.db2.gz URYPYYXIOGGEMR-QFIPXVFZSA-N 1 1 435.609 1.931 50 0 IDAAMO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000062022942 556766492 /nfs/dbraw/zinc/76/64/92/556766492.db2.gz VKIAZWPSDGYDIN-CQSZACIVSA-N 1 1 439.563 1.114 50 0 IDAAMO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000062022942 556766497 /nfs/dbraw/zinc/76/64/97/556766497.db2.gz VKIAZWPSDGYDIN-CQSZACIVSA-N 1 1 439.563 1.114 50 0 IDAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058283352 556777500 /nfs/dbraw/zinc/77/75/00/556777500.db2.gz YPMRHSAZOPEQJH-IBGZPJMESA-N 1 1 426.521 1.356 50 0 IDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000058434441 556788201 /nfs/dbraw/zinc/78/82/01/556788201.db2.gz 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CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)cc1Cl ZINC000019938168 556952058 /nfs/dbraw/zinc/95/20/58/556952058.db2.gz ZUXAJZIVXIEPDL-OAHLLOKOSA-N 1 1 429.970 1.913 50 0 IDAAMO O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437848 556972986 /nfs/dbraw/zinc/97/29/86/556972986.db2.gz VGQFILPWFZLVJY-UHFFFAOYSA-N 1 1 425.461 1.102 50 0 IDAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 ZINC000020198380 556997564 /nfs/dbraw/zinc/99/75/64/556997564.db2.gz AHVSAGISFNVUIQ-INIZCTEOSA-N 1 1 430.515 1.761 50 0 IDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000023109646 557004206 /nfs/dbraw/zinc/00/42/06/557004206.db2.gz SSGYFJQCTPQEBK-QFIPXVFZSA-N 1 1 443.569 1.988 50 0 IDAAMO CC(=O)Nc1ccc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)nc(C)[nH+]2)cc1 ZINC000023144539 557026139 /nfs/dbraw/zinc/02/61/39/557026139.db2.gz XUSHTWRYJCFIRV-UHFFFAOYSA-N 1 1 443.533 1.936 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000048291094 557055753 /nfs/dbraw/zinc/05/57/53/557055753.db2.gz FJCOHBOMEGKKDV-HXUWFJFHSA-N 1 1 446.573 1.394 50 0 IDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000048291094 557055759 /nfs/dbraw/zinc/05/57/59/557055759.db2.gz FJCOHBOMEGKKDV-HXUWFJFHSA-N 1 1 446.573 1.394 50 0 IDAAMO COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000023338756 557085224 /nfs/dbraw/zinc/08/52/24/557085224.db2.gz ZSRYFUGDODJTSG-SFHVURJKSA-N 1 1 443.500 1.594 50 0 IDAAMO COC(=O)[C@@H]1CCCN1C(=O)c1c(OC)cc(=O)n2c1CC[N@@H+](Cc1ccc(C)o1)CC2 ZINC000023338756 557085227 /nfs/dbraw/zinc/08/52/27/557085227.db2.gz ZSRYFUGDODJTSG-SFHVURJKSA-N 1 1 443.500 1.594 50 0 IDAAMO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000026193065 557236978 /nfs/dbraw/zinc/23/69/78/557236978.db2.gz PZGJPQWJNSCNRW-HOTGVXAUSA-N 1 1 428.530 1.126 50 0 IDAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2N2CCN(C(C)=O)CC2)[NH+]2CCCC2)cc1 ZINC000101703555 557294227 /nfs/dbraw/zinc/29/42/27/557294227.db2.gz UREFVOYFDMBFFR-LJQANCHMSA-N 1 1 426.517 1.209 50 0 IDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223213882 557446641 /nfs/dbraw/zinc/44/66/41/557446641.db2.gz DRPSCVHHBIGXSV-ZWKOTPCHSA-N 1 1 446.548 1.547 50 0 IDAAMO O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000223240990 557450281 /nfs/dbraw/zinc/45/02/81/557450281.db2.gz VYNJZYRRWMAPRM-LJQANCHMSA-N 1 1 425.489 1.262 50 0 IDAAMO C[C@H](O)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000105347906 557495633 /nfs/dbraw/zinc/49/56/33/557495633.db2.gz JDIRXVFLIVGBPN-BYWWRHNPSA-N 1 1 443.862 1.781 50 0 IDAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000105379590 557496814 /nfs/dbraw/zinc/49/68/14/557496814.db2.gz RPQFRVHPUSVADI-XISCYFFVSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CCCC2)cc1 ZINC000045944079 557552839 /nfs/dbraw/zinc/55/28/39/557552839.db2.gz CTQMHDVOHVMWLC-UHFFFAOYSA-N 1 1 436.622 1.718 50 0 IDAAMO Cc1ccc(S(=O)(=O)N(CCC[NH+]2CCCC2)CCC(=O)N2CCNCC2)cc1C ZINC000045945194 557553504 /nfs/dbraw/zinc/55/35/04/557553504.db2.gz BOICLAKITGNSGN-UHFFFAOYSA-N 1 1 436.622 1.602 50 0 IDAAMO C[C@@H]1CCC[C@@H](C)N1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945518 557553960 /nfs/dbraw/zinc/55/39/60/557553960.db2.gz KMRDHMXGSDUSPS-QZTJIDSGSA-N 1 1 442.651 1.824 50 0 IDAAMO C[C@H]1CCC[C@H](C)N1CCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1 ZINC000045945515 557553987 /nfs/dbraw/zinc/55/39/87/557553987.db2.gz KMRDHMXGSDUSPS-ROUUACIJSA-N 1 1 442.651 1.824 50 0 IDAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000225471912 557726935 /nfs/dbraw/zinc/72/69/35/557726935.db2.gz UIIDMSBNLQCCTP-OKILXGFUSA-N 1 1 432.477 1.862 50 0 IDAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000008685260 562962382 /nfs/dbraw/zinc/96/23/82/562962382.db2.gz QNUHZILWONFXCK-LEWJYISDSA-N 1 1 442.512 1.523 50 0 IDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000020414891 563024733 /nfs/dbraw/zinc/02/47/33/563024733.db2.gz RCUNBSBUJIXVPB-UHFFFAOYSA-N 1 1 431.610 1.689 50 0 IDAAMO CC(C)[C@H]1CN(C)CCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299758052 568755427 /nfs/dbraw/zinc/75/54/27/568755427.db2.gz LCEDPVRUAAAWPE-HYBUGGRVSA-N 1 1 446.567 1.573 50 0 IDAAMO COc1ccc(C[N@H+]2CCc3c(C(=O)N4CCN(C)CC4)c(OC)cc(=O)n3CC2)cc1 ZINC000299759777 568755763 /nfs/dbraw/zinc/75/57/63/568755763.db2.gz NFUFRWVCGZIVOI-UHFFFAOYSA-N 1 1 440.544 1.311 50 0 IDAAMO COc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCN(C)CC4)c(OC)cc(=O)n3CC2)cc1 ZINC000299759777 568755764 /nfs/dbraw/zinc/75/57/64/568755764.db2.gz NFUFRWVCGZIVOI-UHFFFAOYSA-N 1 1 440.544 1.311 50 0 IDAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCOCC4)nc(C)n3n2)cc1 ZINC000015672109 568803212 /nfs/dbraw/zinc/80/32/12/568803212.db2.gz UXZOZRYOFHMNLZ-UHFFFAOYSA-N 1 1 438.532 1.267 50 0 IDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCSCC1 ZINC000085879625 568839152 /nfs/dbraw/zinc/83/91/52/568839152.db2.gz VLRTUOMFEOVXSR-SJORKVTESA-N 1 1 442.585 1.421 50 0 biogenic IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@@H](C)O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959173 568860283 /nfs/dbraw/zinc/86/02/83/568860283.db2.gz WZMLRSVHAXQUKU-HFGJUZKKSA-N 1 1 433.508 1.593 50 0 biogenic IDAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H](CC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015968079 568861262 /nfs/dbraw/zinc/86/12/62/568861262.db2.gz QYGAWXRFFNIKCQ-MASGSYHESA-N 1 1 446.507 1.088 50 0 biogenic IDAAMO COCc1ccc(CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1 ZINC000089382702 568921436 /nfs/dbraw/zinc/92/14/36/568921436.db2.gz OWHAJWIQOODOSI-UHFFFAOYSA-N 1 1 440.544 1.714 50 0 IDAAMO CCCN1CCN(c2nnc(-n3cccc3C[NH2+]CCCN3CCOCC3)s2)CC1 ZINC000007002082 569117472 /nfs/dbraw/zinc/11/74/72/569117472.db2.gz BVYYGNWMLFDBSP-UHFFFAOYSA-N 1 1 433.626 1.673 50 0 IDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000065226894 569117981 /nfs/dbraw/zinc/11/79/81/569117981.db2.gz QQKCYGBGOYPZOI-UHFFFAOYSA-N 1 1 449.603 1.794 50 0 IDAAMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000036664290 569130438 /nfs/dbraw/zinc/13/04/38/569130438.db2.gz VSJVHBOAVFLYFW-FQEVSTJZSA-N 1 1 429.542 1.948 50 0 IDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000007525170 569145255 /nfs/dbraw/zinc/14/52/55/569145255.db2.gz VJUYGIQBTIRLEU-MRXNPFEDSA-N 1 1 425.551 1.411 50 0 IDAAMO Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)N3CC[NH+](C)CC3)c12 ZINC000016992987 569169859 /nfs/dbraw/zinc/16/98/59/569169859.db2.gz YTBVKVFHGQHEHS-HNNXBMFYSA-N 1 1 443.529 1.747 50 0 IDAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178489 569175536 /nfs/dbraw/zinc/17/55/36/569175536.db2.gz ADPTWICIYZAMJZ-OAQYLSRUSA-N 1 1 425.485 1.611 50 0 IDAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000017178489 569175537 /nfs/dbraw/zinc/17/55/37/569175537.db2.gz ADPTWICIYZAMJZ-OAQYLSRUSA-N 1 1 425.485 1.611 50 0 IDAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000252694694 569211020 /nfs/dbraw/zinc/21/10/20/569211020.db2.gz OJLSSLQLXZDJDV-XISCYFFVSA-N 1 1 433.508 1.647 50 0 biogenic IDAAMO CC(C)C[NH+]1CCN([C@H]2CCOC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819812 569211629 /nfs/dbraw/zinc/21/16/29/569211629.db2.gz MLHBTWRUQDJORB-IBGZPJMESA-N 1 1 439.626 1.396 50 0 IDAAMO COc1ccc(OC)c(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)c1 ZINC000013371236 569314927 /nfs/dbraw/zinc/31/49/27/569314927.db2.gz ADDXRYAUSCBADC-RDJZCZTQSA-N 1 1 445.584 1.537 50 0 IDAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1OC ZINC000013371175 569314965 /nfs/dbraw/zinc/31/49/65/569314965.db2.gz USQQLGYTTWGMMZ-YOEHRIQHSA-N 1 1 445.584 1.537 50 0 IDAAMO COc1cccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000013371865 569315079 /nfs/dbraw/zinc/31/50/79/569315079.db2.gz XUBJPAIPSZTKEI-PMACEKPBSA-N 1 1 441.546 1.914 50 0 IDAAMO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](CCO)c1ccccc1 ZINC000078950385 569320541 /nfs/dbraw/zinc/32/05/41/569320541.db2.gz CSTZRFODDBYJMV-NRFANRHFSA-N 1 1 447.557 1.702 50 0 IDAAMO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](CCO)c1ccccc1 ZINC000078950385 569320543 /nfs/dbraw/zinc/32/05/43/569320543.db2.gz CSTZRFODDBYJMV-NRFANRHFSA-N 1 1 447.557 1.702 50 0 IDAAMO COC(=O)[C@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000079071271 569324607 /nfs/dbraw/zinc/32/46/07/569324607.db2.gz OBQJHJUYFFUBPO-QHCPKHFHSA-N 1 1 434.500 1.529 50 0 IDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103560 569334080 /nfs/dbraw/zinc/33/40/80/569334080.db2.gz YDURXHGKEAEOLA-OAHLLOKOSA-N 1 1 445.589 1.444 50 0 IDAAMO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCN(CC)CC3)ccc2c1=O ZINC000020116986 569335137 /nfs/dbraw/zinc/33/51/37/569335137.db2.gz RSMREYAGIAFPRP-UHFFFAOYSA-N 1 1 429.565 1.637 50 0 IDAAMO COc1ccccc1CNC(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287753 569359287 /nfs/dbraw/zinc/35/92/87/569359287.db2.gz TWTGTJWPBCWVED-OXJNMPFZSA-N 1 1 430.574 1.866 50 0 IDAAMO Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000095404913 569364315 /nfs/dbraw/zinc/36/43/15/569364315.db2.gz APGXSNQTSZPGJG-JOCHJYFZSA-N 1 1 440.544 1.410 50 0 IDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406738 569364828 /nfs/dbraw/zinc/36/48/28/569364828.db2.gz TWYISXCDROWVAC-ICSRJNTNSA-N 1 1 436.984 1.259 50 0 IDAAMO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC([N@H+](C)CC(=O)NC(C)C)CC1 ZINC000095432327 569366339 /nfs/dbraw/zinc/36/63/39/569366339.db2.gz VHEHCBANRLLRRF-JOCHJYFZSA-N 1 1 428.577 1.970 50 0 IDAAMO O=C1C(=O)N(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C(=O)N1Cc1ccccc1 ZINC000096191552 569386208 /nfs/dbraw/zinc/38/62/08/569386208.db2.gz ZRMHROFOUWHCEC-UHFFFAOYSA-N 1 1 434.496 1.688 50 0 IDAAMO CCOC(=O)C1C(C[NH+]2CCC(C(N)=O)CC2)=NC(=O)N[C@H]1c1ccc(OCC)cc1 ZINC000057415503 569434021 /nfs/dbraw/zinc/43/40/21/569434021.db2.gz VMGZKUZGOLEXTG-IBGZPJMESA-N 1 1 430.505 1.454 50 0 IDAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000058130757 569448201 /nfs/dbraw/zinc/44/82/01/569448201.db2.gz GEGHUCFGKDZONY-CQSZACIVSA-N 1 1 426.439 1.120 50 0 IDAAMO O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670444734 569451729 /nfs/dbraw/zinc/45/17/29/569451729.db2.gz HTIOHSHGAKCRBP-YZPALWIMSA-N 1 1 449.530 1.902 50 0 IDAAMO CCN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003542050 569453629 /nfs/dbraw/zinc/45/36/29/569453629.db2.gz QJVIRWOAYLWOQA-UHFFFAOYSA-N 1 1 439.491 1.791 50 0 IDAAMO CCN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003542050 569453630 /nfs/dbraw/zinc/45/36/30/569453630.db2.gz QJVIRWOAYLWOQA-UHFFFAOYSA-N 1 1 439.491 1.791 50 0 IDAAMO O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000067317445 569468456 /nfs/dbraw/zinc/46/84/56/569468456.db2.gz MKFIJGBEJRBGHB-UHFFFAOYSA-N 1 1 438.507 1.643 50 0 IDAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000008761955 569474294 /nfs/dbraw/zinc/47/42/94/569474294.db2.gz GLBHNJDVPWMUID-NRFANRHFSA-N 1 1 427.570 1.697 50 0 IDAAMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2)CC1 ZINC000040107863 569488486 /nfs/dbraw/zinc/48/84/86/569488486.db2.gz GUSKBXLGYRVZAY-OAQYLSRUSA-N 1 1 441.576 1.618 50 0 IDAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)s3)cc2)C[C@H](C)O1 ZINC000040154627 569493857 /nfs/dbraw/zinc/49/38/57/569493857.db2.gz ZNJDLEOFQANBAQ-GJZGRUSLSA-N 1 1 437.587 1.977 50 0 IDAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)n2)CC1 ZINC000040287799 569498272 /nfs/dbraw/zinc/49/82/72/569498272.db2.gz YTSCEFYBOISWSQ-UHFFFAOYSA-N 1 1 438.511 1.408 50 0 IDAAMO COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)c1 ZINC000040356090 569499973 /nfs/dbraw/zinc/49/99/73/569499973.db2.gz JJMSHQFGEMDEDM-UHFFFAOYSA-N 1 1 434.518 1.865 50 0 IDAAMO CN1CC[N@@H+](CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000069950891 569525385 /nfs/dbraw/zinc/52/53/85/569525385.db2.gz JLQDROJYGAKEAD-QFIPXVFZSA-N 1 1 426.536 1.979 50 0 IDAAMO C[N@@H+]1CCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000069950891 569525386 /nfs/dbraw/zinc/52/53/86/569525386.db2.gz JLQDROJYGAKEAD-QFIPXVFZSA-N 1 1 426.536 1.979 50 0 IDAAMO C[N@H+]1CCN(CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000069950891 569525387 /nfs/dbraw/zinc/52/53/87/569525387.db2.gz JLQDROJYGAKEAD-QFIPXVFZSA-N 1 1 426.536 1.979 50 0 IDAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc4c(c3)CCC4)co2)CC1 ZINC000034677247 569587536 /nfs/dbraw/zinc/58/75/36/569587536.db2.gz WTXTTXIFBHBWRS-FQEVSTJZSA-N 1 1 428.533 1.931 50 0 IDAAMO