smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000001481334 194125857 /nfs/dbraw/zinc/12/58/57/194125857.db2.gz LDWZSOPBDAFDNC-SDXDJHTJSA-N 1 0 469.636 2.980 50 10 JFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735282 521523076 /nfs/dbraw/zinc/52/30/76/521523076.db2.gz FYYLADUCDXFYLM-DEOSSOPVSA-N 1 0 479.625 2.511 50 10 JFCARO COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1OC ZINC000022734842 523902932 /nfs/dbraw/zinc/90/29/32/523902932.db2.gz LBFBAVXHUZYNSZ-XMMPIXPASA-N 1 0 466.626 2.734 50 10 JFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735126 523917521 /nfs/dbraw/zinc/91/75/21/523917521.db2.gz KKESZWLMAZDCSA-QHCPKHFHSA-N 1 0 488.007 2.905 50 10 JFCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735020 524417671 /nfs/dbraw/zinc/41/76/71/524417671.db2.gz XIENIVUKYFUYNV-RUZDIDTESA-N 1 0 463.626 2.729 50 10 JFCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734550 524739169 /nfs/dbraw/zinc/73/91/69/524739169.db2.gz HXSRRIBGEGFCQS-QHCPKHFHSA-N 1 0 470.017 2.684 50 10 JFCARO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734553 524740625 /nfs/dbraw/zinc/74/06/25/524740625.db2.gz HXSRRIBGEGFCQS-HSZRJFAPSA-N 1 0 470.017 2.684 50 10 JFCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000008858074 554754835 /nfs/dbraw/zinc/75/48/35/554754835.db2.gz TWUPHIYZQBUJMK-MCRQTXEHSA-N 1 0 499.662 2.525 50 10 JFCARO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009135675 554932424 /nfs/dbraw/zinc/93/24/24/554932424.db2.gz PESNWDADXPHFEI-HSZRJFAPSA-N 1 0 450.583 2.647 50 10 JFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21 ZINC000009135553 554932470 /nfs/dbraw/zinc/93/24/70/554932470.db2.gz BRHKGHJRNLCKPN-QFIPXVFZSA-N 1 0 464.566 2.732 50 10 JFCARO CCOc1ccc(N2C[C@@H](NC(=O)NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 ZINC000009519971 555318649 /nfs/dbraw/zinc/31/86/49/555318649.db2.gz XEWCVQBZXPBGFO-NRFANRHFSA-N 1 0 495.624 2.711 50 10 JFCARO COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCCC[NH+]2CCOCC2)cc1 ZINC000013165847 555368810 /nfs/dbraw/zinc/36/88/10/555368810.db2.gz CCHBVEHYBWQHJJ-XLNRJJMWSA-N 1 0 465.510 2.550 50 10 JFCARO COc1cccc(C[C@@]2(C3CC[NH+](Cc4cccc(OC)c4O)CC3)NC(=O)N(C)C2=O)c1 ZINC000011995344 555878225 /nfs/dbraw/zinc/87/82/25/555878225.db2.gz LMLNLTQFZBIOAI-VWLOTQADSA-N 1 0 453.539 2.785 50 10 JFCARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967813 556094074 /nfs/dbraw/zinc/09/40/74/556094074.db2.gz ONEXPVCGLIADDB-XOSJJEKJSA-N 1 0 497.551 2.824 50 10 biogenic JFCARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024533 556115000 /nfs/dbraw/zinc/11/50/00/556115000.db2.gz TXDFHSXTKSUUGO-RISAILHGSA-N 1 0 475.545 2.620 50 10 JFCARO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033906 556118017 /nfs/dbraw/zinc/11/80/17/556118017.db2.gz RLUGXWLFCZJFNM-PKVHRPSESA-N 1 0 489.572 2.956 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1 ZINC000064925415 569646548 /nfs/dbraw/zinc/64/65/48/569646548.db2.gz SZVRNWIJZFAQHX-UHFFFAOYSA-N 1 0 471.565 2.766 50 10 JFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022735129 523919771 /nfs/dbraw/zinc/91/97/71/523919771.db2.gz KKESZWLMAZDCSA-HSZRJFAPSA-N 1 0 488.007 2.905 50 10 JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734396 523998307 /nfs/dbraw/zinc/99/83/07/523998307.db2.gz NSCMFQMJXMXHET-JOCHJYFZSA-N 1 0 489.542 2.741 50 10 JFCARO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1 ZINC000019909151 555537082 /nfs/dbraw/zinc/53/70/82/555537082.db2.gz YVVKGFCSLWXBTM-IBGZPJMESA-N 1 0 450.535 2.852 50 10 JFCARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(N4CCCC4)cc2)CC3)o1 ZINC000011790795 555826901 /nfs/dbraw/zinc/82/69/01/555826901.db2.gz ZTWFQDGNHHQTLP-UHFFFAOYSA-N 1 0 464.570 2.606 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@@H]3COc4ccc(OC)cc4C3)CC2)cc1 ZINC000015820902 556009638 /nfs/dbraw/zinc/00/96/38/556009638.db2.gz AEYODDROIODGSB-FQEVSTJZSA-N 1 0 454.571 2.519 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)cc1 ZINC000032974669 569605617 /nfs/dbraw/zinc/60/56/17/569605617.db2.gz QPUOEQNKKOBRJP-UHFFFAOYSA-N 1 0 477.609 2.659 50 10 JFCARO COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1OC ZINC000022734845 523901140 /nfs/dbraw/zinc/90/11/40/523901140.db2.gz LBFBAVXHUZYNSZ-DEOSSOPVSA-N 1 0 466.626 2.734 50 10 JFCARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008812217 554693601 /nfs/dbraw/zinc/69/36/01/554693601.db2.gz LOCRJKJTZSHPHG-XMMPIXPASA-N 1 0 480.609 2.836 50 10 JFCARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135803 554932502 /nfs/dbraw/zinc/93/25/02/554932502.db2.gz NHXIQFQKDFWZRY-DEOSSOPVSA-N 1 0 463.582 2.919 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(=O)N3CCOc4ccc(C)cc43)CC2)cc1 ZINC000009251936 555026326 /nfs/dbraw/zinc/02/63/26/555026326.db2.gz BBLMDBIDHTYQEC-UHFFFAOYSA-N 1 0 480.609 2.838 50 10 JFCARO CCOc1cccc(C[N@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)c1O ZINC000019837107 555507084 /nfs/dbraw/zinc/50/70/84/555507084.db2.gz NSCYSLWYNXFUCF-UHFFFAOYSA-N 1 0 457.481 2.649 50 10 JFCARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)c(=O)[nH]2)C1 ZINC000011912658 555861650 /nfs/dbraw/zinc/86/16/50/555861650.db2.gz MNLVLKRFEWTLTH-JOCHJYFZSA-N 1 0 493.652 2.768 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000023857704 556093256 /nfs/dbraw/zinc/09/32/56/556093256.db2.gz XZZUQWCZSUNDFI-QFIPXVFZSA-N 1 0 473.980 2.515 50 10 JFCARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025181 556116118 /nfs/dbraw/zinc/11/61/18/556116118.db2.gz JDFJRVPFATXMEC-ZPIFVSINSA-N 1 0 481.936 2.657 50 10 JFCARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007951 556199371 /nfs/dbraw/zinc/19/93/71/556199371.db2.gz LPHOPWQHTAKXSY-DEOSSOPVSA-N 1 0 450.583 2.647 50 10 JFCARO CCCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000102824611 569824222 /nfs/dbraw/zinc/82/42/22/569824222.db2.gz XYMSIQCONOLXDP-GHRIWEEISA-N 1 0 457.625 2.756 50 10 JFCARO CCn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000033259820 523284834 /nfs/dbraw/zinc/28/48/34/523284834.db2.gz POVDDEWHHUXKMX-UHFFFAOYSA-N 1 0 495.649 2.846 50 10 JFCARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735208 523968556 /nfs/dbraw/zinc/96/85/56/523968556.db2.gz WBDOYXMGZHEBKF-RUZDIDTESA-N 1 0 463.626 2.675 50 10 JFCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735256 524268654 /nfs/dbraw/zinc/26/86/54/524268654.db2.gz HEZRUWWHKDSJQK-XMMPIXPASA-N 1 0 463.626 2.729 50 10 JFCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022734495 524279419 /nfs/dbraw/zinc/27/94/19/524279419.db2.gz LMFFXDNZEOQQTB-DEOSSOPVSA-N 1 0 463.626 2.648 50 10 JFCARO COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734890 524932395 /nfs/dbraw/zinc/93/23/95/524932395.db2.gz ZGZMAMBIRYHHRP-RUZDIDTESA-N 1 0 452.599 2.561 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1Cl ZINC000022734538 525004358 /nfs/dbraw/zinc/00/43/58/525004358.db2.gz BOWRJCKOBOBFAG-QHCPKHFHSA-N 1 0 470.017 2.684 50 10 JFCARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000022734447 525109566 /nfs/dbraw/zinc/10/95/66/525109566.db2.gz FHHUVYSTAPXDLT-SANMLTNESA-N 1 0 486.620 2.579 50 10 JFCARO CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735108 526164583 /nfs/dbraw/zinc/16/45/83/526164583.db2.gz ZEMVGJWJEFWIGB-HSZRJFAPSA-N 1 0 481.666 2.834 50 10 JFCARO CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735111 526166081 /nfs/dbraw/zinc/16/60/81/526166081.db2.gz ZEMVGJWJEFWIGB-QHCPKHFHSA-N 1 0 481.666 2.834 50 10 JFCARO CCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002712505 554297660 /nfs/dbraw/zinc/29/76/60/554297660.db2.gz XYMSIQCONOLXDP-LGMDPLHJSA-N 1 0 457.625 2.756 50 10 JFCARO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008813956 554696318 /nfs/dbraw/zinc/69/63/18/554696318.db2.gz OGFCHRKLPOJZSA-HSZRJFAPSA-N 1 0 466.582 2.528 50 10 JFCARO CCOc1cc2[nH]c(=O)n(CCC[NH+]3CCN(c4ccc(OC)cc4)CC3)c(=O)c2cc1OCC ZINC000013497229 555412878 /nfs/dbraw/zinc/41/28/78/555412878.db2.gz JEODYJIPKMXGNW-UHFFFAOYSA-N 1 0 482.581 2.708 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000013572444 555510947 /nfs/dbraw/zinc/51/09/47/555510947.db2.gz GYANDCQRFGDFAY-QBTOODAHSA-N 1 0 469.925 2.513 50 10 JFCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013576294 555515248 /nfs/dbraw/zinc/51/52/48/555515248.db2.gz BYMISFGRUKMVOU-UNKHORCTSA-N 1 0 469.925 2.514 50 10 JFCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013576292 555515293 /nfs/dbraw/zinc/51/52/93/555515293.db2.gz BYMISFGRUKMVOU-PAXILDSZSA-N 1 0 469.925 2.514 50 10 JFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000023080618 556007085 /nfs/dbraw/zinc/00/70/85/556007085.db2.gz FTRHHXCGKIRJSQ-VWLOTQADSA-N 1 0 456.656 2.898 50 10 JFCARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959780 556091758 /nfs/dbraw/zinc/09/17/58/556091758.db2.gz FMAVTFWVWWXAQY-KKBCGBJISA-N 1 0 475.545 2.784 50 10 biogenic JFCARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021253 556113726 /nfs/dbraw/zinc/11/37/26/556113726.db2.gz QYXPJYWPGHOFPM-AHQSTGFLSA-N 1 0 479.508 2.533 50 10 JFCARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024529 556115058 /nfs/dbraw/zinc/11/50/58/556115058.db2.gz TXDFHSXTKSUUGO-LIXUUISPSA-N 1 0 475.545 2.620 50 10 JFCARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025185 556116096 /nfs/dbraw/zinc/11/60/96/556116096.db2.gz JDFJRVPFATXMEC-DNBVQBCISA-N 1 0 481.936 2.657 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000013007964 556199510 /nfs/dbraw/zinc/19/95/10/556199510.db2.gz FJSMHLVMNSURRM-QHCPKHFHSA-N 1 0 466.582 2.978 50 10 JFCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(C)C)C2=O)CC1 ZINC000025757031 556232219 /nfs/dbraw/zinc/23/22/19/556232219.db2.gz OQJNOIUWPGXJCQ-GHRIWEEISA-N 1 0 457.625 2.694 50 10 JFCARO CN(C)c1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000064836170 569636721 /nfs/dbraw/zinc/63/67/21/569636721.db2.gz RKAGZDPHCNOLBE-UHFFFAOYSA-N 1 0 470.577 2.587 50 10 JFCARO CCCCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033918872 569637607 /nfs/dbraw/zinc/63/76/07/569637607.db2.gz NXXTXAOQTUQKLA-BMRADRMJSA-N 1 0 457.625 2.838 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(-n4nnc5cccnc54)cc3)CC2)cc1 ZINC000064896412 569644951 /nfs/dbraw/zinc/64/49/51/569644951.db2.gz CTKHTYXESGCMHE-UHFFFAOYSA-N 1 0 471.565 2.766 50 10 JFCARO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065365815 569675449 /nfs/dbraw/zinc/67/54/49/569675449.db2.gz BBKZKDFRIPHFJZ-JOCHJYFZSA-N 1 0 477.030 2.561 50 10 JFCARO CCC(NCCN1CC[NH2+]CC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100158136 569754159 /nfs/dbraw/zinc/75/41/59/569754159.db2.gz DYBIJWBACFCUJX-DTQAZKPQSA-N 1 0 452.506 2.720 50 10 JFCARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)CCCN4C)CC3)cc1 ZINC000299769640 570175637 /nfs/dbraw/zinc/17/56/37/570175637.db2.gz SSNTXLDVMCHXFW-UHFFFAOYSA-N 1 0 474.609 2.700 50 10 JFCARO COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1 ZINC000009135678 194562732 /nfs/dbraw/zinc/56/27/32/194562732.db2.gz PESNWDADXPHFEI-QHCPKHFHSA-N 1 0 450.583 2.647 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C3\Sc4ccccc4NC3=O)CC2)cc1 ZINC000020727214 195208137 /nfs/dbraw/zinc/20/81/37/195208137.db2.gz RPYNNQKYBPRSSC-XLNRJJMWSA-N 1 0 452.580 2.952 50 10 JFCARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000008607641 521167043 /nfs/dbraw/zinc/16/70/43/521167043.db2.gz XKLRNUCTHIMJSH-XMMPIXPASA-N 1 0 450.583 2.691 50 10 JFCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735592 523918689 /nfs/dbraw/zinc/91/86/89/523918689.db2.gz CNUDWTIACFQAPD-QFIPXVFZSA-N 1 0 464.582 2.614 50 10 JFCARO CC[C@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000034367094 523945971 /nfs/dbraw/zinc/94/59/71/523945971.db2.gz QBUYASLXEHBUHY-JEFCNZTNSA-N 1 0 457.625 2.836 50 10 JFCARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022735571 525061190 /nfs/dbraw/zinc/06/11/90/525061190.db2.gz PMPMFVQKWSZAMD-DEOSSOPVSA-N 1 0 472.655 2.653 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)N(C)C(=O)[C@H]3CCCCN43)CC2)cc1 ZINC000009528823 555322671 /nfs/dbraw/zinc/32/26/71/555322671.db2.gz VIWMWLISFHPXSI-RUZDIDTESA-N 1 0 491.636 2.973 50 10 JFCARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009763815 555489398 /nfs/dbraw/zinc/48/93/98/555489398.db2.gz BSOHGMVTARHCHA-RUZDIDTESA-N 1 0 480.609 2.918 50 10 JFCARO CN1CCc2cc(C[NH2+]C3CCN(c4ccc(C(=O)N[C@H]5CCCCNC5=O)cc4)CC3)ccc21 ZINC000012152653 555926625 /nfs/dbraw/zinc/92/66/25/555926625.db2.gz QYTLRFMACXKZDN-VWLOTQADSA-N 1 0 475.637 2.836 50 10 JFCARO COc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O ZINC000012190245 555937143 /nfs/dbraw/zinc/93/71/43/555937143.db2.gz RFHAFSYRXRUACW-FQEVSTJZSA-N 1 0 464.570 2.963 50 10 JFCARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959779 556091701 /nfs/dbraw/zinc/09/17/01/556091701.db2.gz FMAVTFWVWWXAQY-JYYLQKJRSA-N 1 0 475.545 2.784 50 10 biogenic JFCARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959781 556091733 /nfs/dbraw/zinc/09/17/33/556091733.db2.gz FMAVTFWVWWXAQY-YRCDICCDSA-N 1 0 475.545 2.784 50 10 biogenic JFCARO O=C(c1coc(CN2CC[NH+](Cc3ccccc3O)CC2)n1)N1CCN(c2ccccc2)CC1 ZINC000034678399 569642304 /nfs/dbraw/zinc/64/23/04/569642304.db2.gz PDZIPGWGBUHRSO-UHFFFAOYSA-N 1 0 461.566 2.660 50 10 JFCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000102824482 569824174 /nfs/dbraw/zinc/82/41/74/569824174.db2.gz GRBAHWNOQNNYMJ-NBVRZTHBSA-N 1 0 481.603 2.831 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000104878950 569846671 /nfs/dbraw/zinc/84/66/71/569846671.db2.gz RGGHTDNUGBUOLN-UHCBLFSXSA-N 1 0 469.925 2.513 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000008834791 554732891 /nfs/dbraw/zinc/73/28/91/554732891.db2.gz DZYBFINTRWFMIL-SQFNAUOLSA-N 1 0 499.662 2.525 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC ZINC000008964141 554838272 /nfs/dbraw/zinc/83/82/72/554838272.db2.gz PMSOQCHXLBJUMC-OAQYLSRUSA-N 1 0 452.555 2.588 50 10 JFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000009135530 554932180 /nfs/dbraw/zinc/93/21/80/554932180.db2.gz LFEMUZVGVRJAFU-NRFANRHFSA-N 1 0 450.539 2.690 50 10 JFCARO CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000009138234 554933441 /nfs/dbraw/zinc/93/34/41/554933441.db2.gz GRICWYRWHGUHGV-QHCPKHFHSA-N 1 0 478.593 2.757 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000009252664 555027608 /nfs/dbraw/zinc/02/76/08/555027608.db2.gz GYANDCQRFGDFAY-UCDMSLSYSA-N 1 0 469.925 2.513 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4ccc(OC)c(OC)c4)o3)CC2)cc1 ZINC000009406983 555168073 /nfs/dbraw/zinc/16/80/73/555168073.db2.gz LDSGTXXWEYHODV-UHFFFAOYSA-N 1 0 495.580 2.628 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)cc1 ZINC000009528772 555322464 /nfs/dbraw/zinc/32/24/64/555322464.db2.gz GKXQMZHFCDCLEC-VWLOTQADSA-N 1 0 477.609 2.948 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573400 555511871 /nfs/dbraw/zinc/51/18/71/555511871.db2.gz RGGHTDNUGBUOLN-GQFSOJHHSA-N 1 0 469.925 2.513 50 10 JFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1O ZINC000015003017 555848308 /nfs/dbraw/zinc/84/83/08/555848308.db2.gz OTRLYJDHJSHVCN-QFIPXVFZSA-N 1 0 464.570 2.963 50 10 JFCARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)c(=O)[nH]2)C1 ZINC000011912659 555861755 /nfs/dbraw/zinc/86/17/55/555861755.db2.gz MNLVLKRFEWTLTH-QFIPXVFZSA-N 1 0 493.652 2.768 50 10 JFCARO O=C1NCCCC[C@@H]1[NH2+]C1CCN(c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000012149432 555921239 /nfs/dbraw/zinc/92/12/39/555921239.db2.gz JZHHOVIJARAWAT-QFIPXVFZSA-N 1 0 460.575 2.854 50 10 JFCARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957014 556088736 /nfs/dbraw/zinc/08/87/36/556088736.db2.gz GZZDCSKTNMMCRO-AHQSTGFLSA-N 1 0 489.915 2.919 50 10 biogenic JFCARO O=S(=O)(N1CCCC1)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000026626458 556258133 /nfs/dbraw/zinc/25/81/33/556258133.db2.gz IYWXUQXORWVFHG-UHFFFAOYSA-N 1 0 454.390 2.766 50 10 JFCARO CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)SC1=S ZINC000027016327 556268556 /nfs/dbraw/zinc/26/85/56/556268556.db2.gz RXCCXBDYFHNZPH-XDJHFCHBSA-N 1 0 477.615 2.848 50 10 JFCARO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)CC1 ZINC000065363139 569675226 /nfs/dbraw/zinc/67/52/26/569675226.db2.gz DFJOWTMPWHZQFG-UHFFFAOYSA-N 1 0 477.030 2.806 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 ZINC000033436754 521700868 /nfs/dbraw/zinc/70/08/68/521700868.db2.gz DZYBFINTRWFMIL-GMYFBSLISA-N 1 0 499.662 2.525 50 10 JFCARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735211 523967188 /nfs/dbraw/zinc/96/71/88/523967188.db2.gz WBDOYXMGZHEBKF-VWLOTQADSA-N 1 0 463.626 2.675 50 10 JFCARO Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022734498 524279643 /nfs/dbraw/zinc/27/96/43/524279643.db2.gz LMFFXDNZEOQQTB-XMMPIXPASA-N 1 0 463.626 2.648 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(C(=O)Nc4ccc(F)cc4)s3)CC2)cc1 ZINC000033060257 524423096 /nfs/dbraw/zinc/42/30/96/524423096.db2.gz NLFZPHUQOQYKGS-UHFFFAOYSA-N 1 0 498.584 2.880 50 10 JFCARO COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022734887 524663112 /nfs/dbraw/zinc/66/31/12/524663112.db2.gz YNGKEAUOUKPLSS-QHCPKHFHSA-N 1 0 452.599 2.561 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735294 525006103 /nfs/dbraw/zinc/00/61/03/525006103.db2.gz JMTHVVQOXNFIBE-RUZDIDTESA-N 1 0 463.626 2.729 50 10 JFCARO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)c2ccccc2n1 ZINC000022734450 525108277 /nfs/dbraw/zinc/10/82/77/525108277.db2.gz FHHUVYSTAPXDLT-AREMUKBSSA-N 1 0 486.620 2.579 50 10 JFCARO CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21 ZINC000008799058 554686724 /nfs/dbraw/zinc/68/67/24/554686724.db2.gz GUGJLMPOYXTXML-QFIPXVFZSA-N 1 0 457.596 2.956 50 10 JFCARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008813946 554696205 /nfs/dbraw/zinc/69/62/05/554696205.db2.gz LOCRJKJTZSHPHG-DEOSSOPVSA-N 1 0 480.609 2.836 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000009135569 554932506 /nfs/dbraw/zinc/93/25/06/554932506.db2.gz XJABCIBNWKLYKR-QHCPKHFHSA-N 1 0 466.582 2.978 50 10 JFCARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1 ZINC000009135805 554932518 /nfs/dbraw/zinc/93/25/18/554932518.db2.gz NHXIQFQKDFWZRY-XMMPIXPASA-N 1 0 463.582 2.919 50 10 JFCARO COc1ccccc1N1C(=O)C(=CNCCC[NH+](C)C)C(=O)N(c2ccccc2OC)C1=S ZINC000019997753 555577432 /nfs/dbraw/zinc/57/74/32/555577432.db2.gz XYUDRROLOGMUBP-UHFFFAOYSA-N 1 0 468.579 2.794 50 10 JFCARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000011786299 555819310 /nfs/dbraw/zinc/81/93/10/555819310.db2.gz YHBUMEQQYACSFY-UHFFFAOYSA-N 1 0 474.609 2.674 50 10 JFCARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021251 556113673 /nfs/dbraw/zinc/11/36/73/556113673.db2.gz QYXPJYWPGHOFPM-MPWBWRNSSA-N 1 0 479.508 2.533 50 10 JFCARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021255 556113752 /nfs/dbraw/zinc/11/37/52/556113752.db2.gz QYXPJYWPGHOFPM-GDNALLQQSA-N 1 0 479.508 2.533 50 10 JFCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025241 556116030 /nfs/dbraw/zinc/11/60/30/556116030.db2.gz BYMISFGRUKMVOU-RSOWOLOUSA-N 1 0 469.925 2.514 50 10 JFCARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007860 556199208 /nfs/dbraw/zinc/19/92/08/556199208.db2.gz DGFJCMBHTNYBFA-HSZRJFAPSA-N 1 0 466.582 2.978 50 10 JFCARO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000013121338 556337222 /nfs/dbraw/zinc/33/72/22/556337222.db2.gz VTFMEHLXFMZSGQ-HXUWFJFHSA-N 1 0 486.638 2.767 50 10 JFCARO CCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001282688 194081586 /nfs/dbraw/zinc/08/15/86/194081586.db2.gz MVLQQEMHFBSCII-VKAVYKQESA-N 1 0 457.625 2.756 50 10 JFCARO CC[C@@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001481329 194125790 /nfs/dbraw/zinc/12/57/90/194125790.db2.gz QBUYASLXEHBUHY-ARSNJYAISA-N 1 0 457.625 2.836 50 10 JFCARO CC[C@H](C)N1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000001481331 194125847 /nfs/dbraw/zinc/12/58/47/194125847.db2.gz QBUYASLXEHBUHY-YIQZXQSLSA-N 1 0 457.625 2.836 50 10 JFCARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000008607644 521166384 /nfs/dbraw/zinc/16/63/84/521166384.db2.gz XKLRNUCTHIMJSH-DEOSSOPVSA-N 1 0 450.583 2.691 50 10 JFCARO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735279 521522497 /nfs/dbraw/zinc/52/24/97/521522497.db2.gz FYYLADUCDXFYLM-XMMPIXPASA-N 1 0 479.625 2.511 50 10 JFCARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(N4CCCC4)cc2)CC3)cc1 ZINC000012247942 523703360 /nfs/dbraw/zinc/70/33/60/523703360.db2.gz ARDZQBIRGITTDB-UHFFFAOYSA-N 1 0 474.609 2.918 50 10 JFCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CC[NH+](C)CC3)ccc21 ZINC000022735861 523998456 /nfs/dbraw/zinc/99/84/56/523998456.db2.gz ADNSQYIMURRCFZ-GOSISDBHSA-N 1 0 455.049 2.661 50 10 JFCARO C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000012248088 524914733 /nfs/dbraw/zinc/91/47/33/524914733.db2.gz NLOVSNWSKXRESJ-IBGZPJMESA-N 1 0 452.603 2.540 50 10 JFCARO COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734893 524932189 /nfs/dbraw/zinc/93/21/89/524932189.db2.gz ZGZMAMBIRYHHRP-VWLOTQADSA-N 1 0 452.599 2.561 50 10 JFCARO C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000012248087 525071387 /nfs/dbraw/zinc/07/13/87/525071387.db2.gz NLOVSNWSKXRESJ-LJQANCHMSA-N 1 0 452.603 2.540 50 10 JFCARO CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735065 526110734 /nfs/dbraw/zinc/11/07/34/526110734.db2.gz MDSWORKGPNPGEI-XMMPIXPASA-N 1 0 481.666 2.834 50 10 JFCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020548760 555806750 /nfs/dbraw/zinc/80/67/50/555806750.db2.gz RWDICRJTVGAJFP-UNKHORCTSA-N 1 0 469.925 2.513 50 10 JFCARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000014534821 555823708 /nfs/dbraw/zinc/82/37/08/555823708.db2.gz MUYSRYSGMHTEPX-UHFFFAOYSA-N 1 0 483.565 2.855 50 10 JFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1 ZINC000023080614 556007029 /nfs/dbraw/zinc/00/70/29/556007029.db2.gz UDPAGWZLILWUJM-OAQYLSRUSA-N 1 0 481.460 2.782 50 10 JFCARO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CC[NH+](C)CC2)cc1 ZINC000023080615 556007138 /nfs/dbraw/zinc/00/71/38/556007138.db2.gz UDPAGWZLILWUJM-NRFANRHFSA-N 1 0 481.460 2.782 50 10 JFCARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957013 556088807 /nfs/dbraw/zinc/08/88/07/556088807.db2.gz GZZDCSKTNMMCRO-MPWBWRNSSA-N 1 0 489.915 2.919 50 10 biogenic JFCARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000023858119 556093221 /nfs/dbraw/zinc/09/32/21/556093221.db2.gz KAPZEPJFXHVIHU-XMMPIXPASA-N 1 0 463.582 2.919 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c(OC)c1 ZINC000013007962 556199496 /nfs/dbraw/zinc/19/94/96/556199496.db2.gz FJSMHLVMNSURRM-HSZRJFAPSA-N 1 0 466.582 2.978 50 10 JFCARO CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)C[NH2+]CCN2CCOCC2)c2ccccc12 ZINC000101347655 569794006 /nfs/dbraw/zinc/79/40/06/569794006.db2.gz AQGKWSHRAOAESH-OTZYPNAKSA-N 1 0 487.604 2.730 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccn3-c3nnc(N4CCCC4)s3)CC2)cc1 ZINC000021535240 195310926 /nfs/dbraw/zinc/31/09/26/195310926.db2.gz LWLGGSSHGKCKGI-UHFFFAOYSA-N 1 0 495.653 2.880 50 10 JFCARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735202 521858788 /nfs/dbraw/zinc/85/87/88/521858788.db2.gz CEROXKXCTWLCBR-RUZDIDTESA-N 1 0 463.626 2.675 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022735285 525004306 /nfs/dbraw/zinc/00/43/06/525004306.db2.gz HQSJDZQCBXWDNI-VWLOTQADSA-N 1 0 463.626 2.729 50 10 JFCARO CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735068 526109505 /nfs/dbraw/zinc/10/95/05/526109505.db2.gz MDSWORKGPNPGEI-DEOSSOPVSA-N 1 0 481.666 2.834 50 10 JFCARO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000008801602 554686993 /nfs/dbraw/zinc/68/69/93/554686993.db2.gz BYOISNUABYOTQN-JOCHJYFZSA-N 1 0 457.596 2.956 50 10 JFCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000008801603 554687004 /nfs/dbraw/zinc/68/70/04/554687004.db2.gz BYOISNUABYOTQN-QFIPXVFZSA-N 1 0 457.596 2.956 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000008813133 554695129 /nfs/dbraw/zinc/69/51/29/554695129.db2.gz VBDZMKDFFNGZLI-DEOSSOPVSA-N 1 0 468.573 2.654 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC ZINC000009135662 554932447 /nfs/dbraw/zinc/93/24/47/554932447.db2.gz LVLGARPANWSEBJ-JOCHJYFZSA-N 1 0 466.582 2.978 50 10 JFCARO CCOc1ccc(N2C[C@H](NC(=O)NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1 ZINC000009519970 555318581 /nfs/dbraw/zinc/31/85/81/555318581.db2.gz XEWCVQBZXPBGFO-OAQYLSRUSA-N 1 0 495.624 2.711 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)N(C)C(=O)[C@@H]3CCCCN43)CC2)cc1 ZINC000009528824 555322748 /nfs/dbraw/zinc/32/27/48/555322748.db2.gz VIWMWLISFHPXSI-VWLOTQADSA-N 1 0 491.636 2.973 50 10 JFCARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cc(OC)ccc3O)CC2)C1=O ZINC000014532120 555819577 /nfs/dbraw/zinc/81/95/77/555819577.db2.gz WHFCIPKJKYGJNR-UHFFFAOYSA-N 1 0 453.539 2.846 50 10 JFCARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000023858121 556093197 /nfs/dbraw/zinc/09/31/97/556093197.db2.gz KAPZEPJFXHVIHU-DEOSSOPVSA-N 1 0 463.582 2.919 50 10 JFCARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021257 556113699 /nfs/dbraw/zinc/11/36/99/556113699.db2.gz QYXPJYWPGHOFPM-TXDLGXNGSA-N 1 0 479.508 2.533 50 10 JFCARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024531 556115012 /nfs/dbraw/zinc/11/50/12/556115012.db2.gz TXDFHSXTKSUUGO-DEGXZROYSA-N 1 0 475.545 2.620 50 10 JFCARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025183 556115981 /nfs/dbraw/zinc/11/59/81/556115981.db2.gz JDFJRVPFATXMEC-DUHPJZPXSA-N 1 0 481.936 2.657 50 10 JFCARO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033903 556118024 /nfs/dbraw/zinc/11/80/24/556118024.db2.gz RLUGXWLFCZJFNM-GXCDUKDASA-N 1 0 489.572 2.956 50 10 JFCARO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1O ZINC000017519833 556261723 /nfs/dbraw/zinc/26/17/23/556261723.db2.gz SQMIUQAZRXPTDQ-UHFFFAOYSA-N 1 0 473.551 2.833 50 10 JFCARO COCCC[NH2+]Cc1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C ZINC000013113294 556317467 /nfs/dbraw/zinc/31/74/67/556317467.db2.gz VHRVZDLIBUGCAU-UHFFFAOYSA-N 1 0 490.670 2.841 50 10 JFCARO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000013121339 556337264 /nfs/dbraw/zinc/33/72/64/556337264.db2.gz VTFMEHLXFMZSGQ-FQEVSTJZSA-N 1 0 486.638 2.767 50 10 JFCARO CC[C@@H](C)N1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000034367093 569640014 /nfs/dbraw/zinc/64/00/14/569640014.db2.gz QBUYASLXEHBUHY-PWVLXBNSSA-N 1 0 457.625 2.836 50 10 JFCARO COC(=O)c1cc2ccccc2c(C[NH+]2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1O ZINC000040061173 569815293 /nfs/dbraw/zinc/81/52/93/569815293.db2.gz GKDUDXGFHOKVHE-UHFFFAOYSA-N 1 0 458.518 2.658 50 10 JFCARO COc1ccccc1N1C(=O)[N-]C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O ZINC000104147513 569842074 /nfs/dbraw/zinc/84/20/74/569842074.db2.gz SZNOMHVISQKAQU-GSPCDJLXSA-N 1 0 494.504 2.558 50 10 JFCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(C)C)C2=O)CC1 ZINC000001299869 194082559 /nfs/dbraw/zinc/08/25/59/194082559.db2.gz OQJNOIUWPGXJCQ-LGMDPLHJSA-N 1 0 457.625 2.694 50 10 JFCARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735053 521049665 /nfs/dbraw/zinc/04/96/65/521049665.db2.gz KNPYUWQXBAZYSM-RUZDIDTESA-N 1 0 479.625 2.511 50 10 JFCARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735205 521857291 /nfs/dbraw/zinc/85/72/91/521857291.db2.gz CEROXKXCTWLCBR-VWLOTQADSA-N 1 0 463.626 2.675 50 10 JFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022735870 522187187 /nfs/dbraw/zinc/18/71/87/522187187.db2.gz DCJXLKJJFYDZDM-HSZRJFAPSA-N 1 0 472.655 2.571 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022734556 523999550 /nfs/dbraw/zinc/99/95/50/523999550.db2.gz MDBICPSAWHJRTM-QFIPXVFZSA-N 1 0 489.542 2.741 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CC[NH+](C)CC3)ccc21 ZINC000022734393 523999656 /nfs/dbraw/zinc/99/96/56/523999656.db2.gz NSCMFQMJXMXHET-QFIPXVFZSA-N 1 0 489.542 2.741 50 10 JFCARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022735253 524267853 /nfs/dbraw/zinc/26/78/53/524267853.db2.gz HEZRUWWHKDSJQK-DEOSSOPVSA-N 1 0 463.626 2.729 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1F ZINC000022735169 525004158 /nfs/dbraw/zinc/00/41/58/525004158.db2.gz MVFJAKPPOCPFDM-DEOSSOPVSA-N 1 0 467.589 2.560 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1Cl ZINC000022734541 525006512 /nfs/dbraw/zinc/00/65/12/525006512.db2.gz BOWRJCKOBOBFAG-HSZRJFAPSA-N 1 0 470.017 2.684 50 10 JFCARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022735568 525063835 /nfs/dbraw/zinc/06/38/35/525063835.db2.gz PMPMFVQKWSZAMD-XMMPIXPASA-N 1 0 472.655 2.653 50 10 JFCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000008858073 554754831 /nfs/dbraw/zinc/75/48/31/554754831.db2.gz TWUPHIYZQBUJMK-NFBGKYEXSA-N 1 0 499.662 2.525 50 10 JFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000009138223 554933415 /nfs/dbraw/zinc/93/34/15/554933415.db2.gz GRICWYRWHGUHGV-HSZRJFAPSA-N 1 0 478.593 2.757 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3c4ccccc4n4cccc4c3=O)CC2)cc1 ZINC000009406251 555166237 /nfs/dbraw/zinc/16/62/37/555166237.db2.gz ZIPIAVASCUUAGW-UHFFFAOYSA-N 1 0 473.577 2.591 50 10 JFCARO CCOC(=O)N1CCN(c2cc(NCCC[NH+](C)C)c3c(c2N)C(=O)c2ccccc2C3=O)CC1 ZINC000009410267 555176465 /nfs/dbraw/zinc/17/64/65/555176465.db2.gz JWCYYTWFFKSPPK-UHFFFAOYSA-N 1 0 479.581 2.686 50 10 JFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1O ZINC000020598483 555840560 /nfs/dbraw/zinc/84/05/60/555840560.db2.gz XPHGGMAWIPWHEI-GOSISDBHSA-N 1 0 465.554 2.697 50 10 JFCARO Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000022047723 555866303 /nfs/dbraw/zinc/86/63/03/555866303.db2.gz YWYQMAHVCTUSQN-HFMPRLQTSA-N 1 0 493.637 2.806 50 10 JFCARO CCN(CC)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)cc1 ZINC000023339436 556047709 /nfs/dbraw/zinc/04/77/09/556047709.db2.gz HARKBTOAAMKZAF-UHFFFAOYSA-N 1 0 466.586 2.852 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022000 556114376 /nfs/dbraw/zinc/11/43/76/556114376.db2.gz GYANDCQRFGDFAY-AJBLAUBNSA-N 1 0 469.925 2.513 50 10 JFCARO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065365813 569675496 /nfs/dbraw/zinc/67/54/96/569675496.db2.gz BBKZKDFRIPHFJZ-QFIPXVFZSA-N 1 0 477.030 2.561 50 10 JFCARO CSc1ccc(S(=O)(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(=O)N1CCCC1 ZINC000067613764 569688743 /nfs/dbraw/zinc/68/87/43/569688743.db2.gz UOTDDWFRKOMKBL-UHFFFAOYSA-N 1 0 488.679 2.875 50 10 JFCARO CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)C[NH2+]CCN2CCOCC2)c2ccccc12 ZINC000101347658 569793966 /nfs/dbraw/zinc/79/39/66/569793966.db2.gz AQGKWSHRAOAESH-MSIOFZDNSA-N 1 0 487.604 2.730 50 10 JFCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735303 524129610 /nfs/dbraw/zinc/12/96/10/524129610.db2.gz BYMYWELSHIDNQH-VWLOTQADSA-N 1 0 463.626 2.729 50 10 JFCARO Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735017 524416220 /nfs/dbraw/zinc/41/62/20/524416220.db2.gz XIENIVUKYFUYNV-VWLOTQADSA-N 1 0 463.626 2.729 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(NC(=O)[C@@H]4CCCO4)cc3)CC2)cc1 ZINC000004765309 524424274 /nfs/dbraw/zinc/42/42/74/524424274.db2.gz RNUXMYDCAPHZOW-DEOSSOPVSA-N 1 0 466.582 2.755 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735291 525005222 /nfs/dbraw/zinc/00/52/22/525005222.db2.gz JMTHVVQOXNFIBE-VWLOTQADSA-N 1 0 463.626 2.729 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1F ZINC000022735173 525006698 /nfs/dbraw/zinc/00/66/98/525006698.db2.gz MVFJAKPPOCPFDM-XMMPIXPASA-N 1 0 467.589 2.560 50 10 JFCARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1C ZINC000022735288 525007031 /nfs/dbraw/zinc/00/70/31/525007031.db2.gz HQSJDZQCBXWDNI-RUZDIDTESA-N 1 0 463.626 2.729 50 10 JFCARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC000012218726 527230396 /nfs/dbraw/zinc/23/03/96/527230396.db2.gz ZZJHMZXMOVRSHU-UHFFFAOYSA-N 1 0 476.600 2.977 50 10 JFCARO CCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000002338764 554155238 /nfs/dbraw/zinc/15/52/38/554155238.db2.gz NXXTXAOQTUQKLA-ICFOKQHNSA-N 1 0 457.625 2.838 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000008834790 554732897 /nfs/dbraw/zinc/73/28/97/554732897.db2.gz DZYBFINTRWFMIL-FJSNCCPHSA-N 1 0 499.662 2.525 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(=O)N3CCOc4ccccc43)CC2)cc1 ZINC000009251944 555026260 /nfs/dbraw/zinc/02/62/60/555026260.db2.gz MRMXGMIDYIFMHJ-UHFFFAOYSA-N 1 0 466.582 2.529 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)cc1 ZINC000012563056 556057560 /nfs/dbraw/zinc/05/75/60/556057560.db2.gz OTCZEINICOSDBI-UHFFFAOYSA-N 1 0 495.649 2.743 50 10 JFCARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957016 556088779 /nfs/dbraw/zinc/08/87/79/556088779.db2.gz GZZDCSKTNMMCRO-TXDLGXNGSA-N 1 0 489.915 2.919 50 10 biogenic JFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC ZINC000023858061 556093188 /nfs/dbraw/zinc/09/31/88/556093188.db2.gz HMMYNHXDJHUDMQ-JOCHJYFZSA-N 1 0 466.582 2.978 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1 ZINC000032937316 556552421 /nfs/dbraw/zinc/55/24/21/556552421.db2.gz SUNVOCABXYCURA-UHFFFAOYSA-N 1 0 490.988 2.633 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 ZINC000001103746 194024897 /nfs/dbraw/zinc/02/48/97/194024897.db2.gz IWELBDUTRDYPIS-LGMDPLHJSA-N 1 0 457.625 2.754 50 10 JFCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735608 519731339 /nfs/dbraw/zinc/73/13/39/519731339.db2.gz MCPILEXINLUKKY-RUZDIDTESA-N 1 0 499.681 2.603 50 10 JFCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734565 519836842 /nfs/dbraw/zinc/83/68/42/519836842.db2.gz GQMMLIDUFYBASN-VWLOTQADSA-N 1 0 463.626 2.846 50 10 JFCARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022735056 521046510 /nfs/dbraw/zinc/04/65/10/521046510.db2.gz KNPYUWQXBAZYSM-VWLOTQADSA-N 1 0 479.625 2.511 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 ZINC000033436753 521701043 /nfs/dbraw/zinc/70/10/43/521701043.db2.gz DZYBFINTRWFMIL-WFVLPUPGSA-N 1 0 499.662 2.525 50 10 JFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022735873 522187504 /nfs/dbraw/zinc/18/75/04/522187504.db2.gz DCJXLKJJFYDZDM-QHCPKHFHSA-N 1 0 472.655 2.571 50 10 JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CC[NH+](C)CC3)ccc21 ZINC000022734559 523998062 /nfs/dbraw/zinc/99/80/62/523998062.db2.gz MDBICPSAWHJRTM-JOCHJYFZSA-N 1 0 489.542 2.741 50 10 JFCARO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)s3)N3CC[NH+](C)CC3)ccc21 ZINC000022735858 523999258 /nfs/dbraw/zinc/99/92/58/523999258.db2.gz ADNSQYIMURRCFZ-SFHVURJKSA-N 1 0 455.049 2.661 50 10 JFCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734483 525761231 /nfs/dbraw/zinc/76/12/31/525761231.db2.gz WBOVMBURMDBCTB-QHCPKHFHSA-N 1 0 470.017 2.684 50 10 JFCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21 ZINC000008799056 554686714 /nfs/dbraw/zinc/68/67/14/554686714.db2.gz GUGJLMPOYXTXML-JOCHJYFZSA-N 1 0 457.596 2.956 50 10 JFCARO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000008813959 554696339 /nfs/dbraw/zinc/69/63/39/554696339.db2.gz OGFCHRKLPOJZSA-QHCPKHFHSA-N 1 0 466.582 2.528 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc4c(c3)NC(=O)[C@H]3CCCCN43)CC2)cc1 ZINC000009528771 555322454 /nfs/dbraw/zinc/32/24/54/555322454.db2.gz GKXQMZHFCDCLEC-RUZDIDTESA-N 1 0 477.609 2.948 50 10 JFCARO CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)SC1=S ZINC000019902885 555535760 /nfs/dbraw/zinc/53/57/60/555535760.db2.gz RXCCXBDYFHNZPH-CYVLTUHYSA-N 1 0 477.615 2.848 50 10 JFCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020548758 555806713 /nfs/dbraw/zinc/80/67/13/555806713.db2.gz RWDICRJTVGAJFP-PAXILDSZSA-N 1 0 469.925 2.513 50 10 JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000023858019 556093211 /nfs/dbraw/zinc/09/32/11/556093211.db2.gz UREKYKBCVCOCHW-JOCHJYFZSA-N 1 0 464.566 2.732 50 10 JFCARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016024535 556115283 /nfs/dbraw/zinc/11/52/83/556115283.db2.gz TXDFHSXTKSUUGO-YMFVMPCESA-N 1 0 475.545 2.620 50 10 JFCARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000016025187 556115950 /nfs/dbraw/zinc/11/59/50/556115950.db2.gz JDFJRVPFATXMEC-CCIIEHSASA-N 1 0 481.936 2.657 50 10 JFCARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000095241504 569722203 /nfs/dbraw/zinc/72/22/03/569722203.db2.gz BSOHGMVTARHCHA-VWLOTQADSA-N 1 0 480.609 2.918 50 10 JFCARO C[NH+](C)CCC[NH2+]Cc1cc(I)cc(I)c1[O-] ZINC000048277691 569845561 /nfs/dbraw/zinc/84/55/61/569845561.db2.gz FSEDARFFVDEQSZ-UHFFFAOYSA-N 1 0 460.097 2.643 50 10 JFCARO O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000001845210 194149614 /nfs/dbraw/zinc/14/96/14/194149614.db2.gz YKAWYMLGLGMAES-KGENOOAVSA-N 1 0 452.555 2.707 50 10 JFCARO CCCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CC[NH+](CC)CC2)SC1=S ZINC000033332616 521698412 /nfs/dbraw/zinc/69/84/12/521698412.db2.gz MVLQQEMHFBSCII-SAPNQHFASA-N 1 0 457.625 2.756 50 10 JFCARO COCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC000014982743 523805247 /nfs/dbraw/zinc/80/52/47/523805247.db2.gz ZFDSKYPPYFITMC-RUZDIDTESA-N 1 0 455.530 2.923 50 10 JFCARO CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)N3CC[NH+](C)CC3)ccc21 ZINC000022734782 523917946 /nfs/dbraw/zinc/91/79/46/523917946.db2.gz CDQGUBLYYUVUEP-DEOSSOPVSA-N 1 0 460.578 2.894 50 10 JFCARO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)s1 ZINC000022735586 524014376 /nfs/dbraw/zinc/01/43/76/524014376.db2.gz WTGQBXLGHDOZFK-JOCHJYFZSA-N 1 0 462.685 2.960 50 10 JFCARO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)s1 ZINC000022735589 524014752 /nfs/dbraw/zinc/01/47/52/524014752.db2.gz WTGQBXLGHDOZFK-QFIPXVFZSA-N 1 0 462.685 2.960 50 10 JFCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 ZINC000008742765 554645280 /nfs/dbraw/zinc/64/52/80/554645280.db2.gz GRBAHWNOQNNYMJ-JXAWBTAJSA-N 1 0 481.603 2.831 50 10 JFCARO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000008779737 554677060 /nfs/dbraw/zinc/67/70/60/554677060.db2.gz AYCKMVLHFSKCBM-UHFFFAOYSA-N 1 0 451.615 2.736 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)cc1OC ZINC000008964142 554838253 /nfs/dbraw/zinc/83/82/53/554838253.db2.gz PMSOQCHXLBJUMC-NRFANRHFSA-N 1 0 452.555 2.588 50 10 JFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCC3)ccc21 ZINC000009135552 554932420 /nfs/dbraw/zinc/93/24/20/554932420.db2.gz BRHKGHJRNLCKPN-JOCHJYFZSA-N 1 0 464.566 2.732 50 10 JFCARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1O ZINC000009763559 555489185 /nfs/dbraw/zinc/48/91/85/555489185.db2.gz WLXASAPCAXOIMP-UHFFFAOYSA-N 1 0 467.566 2.686 50 10 JFCARO COCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccc(OC)c1O)CC2 ZINC000014535348 555824312 /nfs/dbraw/zinc/82/43/12/555824312.db2.gz HIDYGZWNLWBLDG-UHFFFAOYSA-N 1 0 479.577 2.813 50 10 JFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1O ZINC000015003020 555848253 /nfs/dbraw/zinc/84/82/53/555848253.db2.gz OTRLYJDHJSHVCN-JOCHJYFZSA-N 1 0 464.570 2.963 50 10 JFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000023080636 556007037 /nfs/dbraw/zinc/00/70/37/556007037.db2.gz JXKDUNKWXRNFOO-QFIPXVFZSA-N 1 0 460.644 2.645 50 10 JFCARO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000023080619 556007148 /nfs/dbraw/zinc/00/71/48/556007148.db2.gz FTRHHXCGKIRJSQ-RUZDIDTESA-N 1 0 456.656 2.898 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)N[C@H]3COc4ccc(OC)cc4C3)CC2)cc1 ZINC000015820907 556009618 /nfs/dbraw/zinc/00/96/18/556009618.db2.gz AEYODDROIODGSB-HXUWFJFHSA-N 1 0 454.571 2.519 50 10 JFCARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(C3CCCCCC3)C(=O)[C@H]12 ZINC000015959778 556091655 /nfs/dbraw/zinc/09/16/55/556091655.db2.gz FMAVTFWVWWXAQY-HGXGVQFASA-N 1 0 475.545 2.784 50 10 biogenic JFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC ZINC000023858063 556093176 /nfs/dbraw/zinc/09/31/76/556093176.db2.gz HMMYNHXDJHUDMQ-QFIPXVFZSA-N 1 0 466.582 2.978 50 10 JFCARO CCc1ccc2c(c1)[C@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967810 556094094 /nfs/dbraw/zinc/09/40/94/556094094.db2.gz ONEXPVCGLIADDB-CVRJGYJLSA-N 1 0 497.551 2.824 50 10 biogenic JFCARO C[NH+]1CCN(c2ccc(CNC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000072434130 569703987 /nfs/dbraw/zinc/70/39/87/569703987.db2.gz OUPLMUGPZRHDLJ-UHFFFAOYSA-N 1 0 491.057 2.809 50 10 JFCARO CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1 ZINC000022734562 519836938 /nfs/dbraw/zinc/83/69/38/519836938.db2.gz GQMMLIDUFYBASN-RUZDIDTESA-N 1 0 463.626 2.846 50 10 JFCARO COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022734712 522118037 /nfs/dbraw/zinc/11/80/37/522118037.db2.gz DYDBUUTYIYUVQB-QHCPKHFHSA-N 1 0 482.625 2.813 50 10 JFCARO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc(F)cc3F)N3CC[NH+](C)CC3)ccc21 ZINC000022735595 523922569 /nfs/dbraw/zinc/92/25/69/523922569.db2.gz CNUDWTIACFQAPD-JOCHJYFZSA-N 1 0 464.582 2.614 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc4ccc(-c5ccccc5)nn43)CC2)cc1 ZINC000033282403 524423316 /nfs/dbraw/zinc/42/33/16/524423316.db2.gz SQWDNVNYZQUHEG-UHFFFAOYSA-N 1 0 471.565 2.742 50 10 JFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1 ZINC000019909147 524426087 /nfs/dbraw/zinc/42/60/87/524426087.db2.gz YVVKGFCSLWXBTM-LJQANCHMSA-N 1 0 450.535 2.852 50 10 JFCARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000014981428 524745453 /nfs/dbraw/zinc/74/54/53/524745453.db2.gz VXLWCSBGZLYENO-NRFANRHFSA-N 1 0 464.570 2.963 50 10 JFCARO COc1ccc(O)c(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000014981426 524745947 /nfs/dbraw/zinc/74/59/47/524745947.db2.gz VXLWCSBGZLYENO-OAQYLSRUSA-N 1 0 464.570 2.963 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 ZINC000008813134 554695295 /nfs/dbraw/zinc/69/52/95/554695295.db2.gz VBDZMKDFFNGZLI-XMMPIXPASA-N 1 0 468.573 2.654 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+](C)C)ccc21 ZINC000008963930 554838214 /nfs/dbraw/zinc/83/82/14/554838214.db2.gz MXEUKPFIEOQOJM-IBGZPJMESA-N 1 0 450.461 2.935 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC ZINC000009135664 554932433 /nfs/dbraw/zinc/93/24/33/554932433.db2.gz LVLGARPANWSEBJ-QFIPXVFZSA-N 1 0 466.582 2.978 50 10 JFCARO COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000023080634 556007002 /nfs/dbraw/zinc/00/70/02/556007002.db2.gz JXKDUNKWXRNFOO-JOCHJYFZSA-N 1 0 460.644 2.645 50 10 JFCARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016025243 556116106 /nfs/dbraw/zinc/11/61/06/556116106.db2.gz BYMISFGRUKMVOU-WDEBQMKVSA-N 1 0 469.925 2.514 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000013007919 556199516 /nfs/dbraw/zinc/19/95/16/556199516.db2.gz LCFZPFJDLCAKFX-NRFANRHFSA-N 1 0 450.539 2.690 50 10 JFCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000017028014 556207346 /nfs/dbraw/zinc/20/73/46/556207346.db2.gz RWDICRJTVGAJFP-WDEBQMKVSA-N 1 0 469.925 2.513 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCN(Cc4ccccc4C)C3=O)CC2)cc1 ZINC000004057032 194372928 /nfs/dbraw/zinc/37/29/28/194372928.db2.gz ZQOOJYSSEMPEBQ-UHFFFAOYSA-N 1 0 479.625 2.570 50 10 JFCARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c(C)c1 ZINC000022735605 519731348 /nfs/dbraw/zinc/73/13/48/519731348.db2.gz MCPILEXINLUKKY-VWLOTQADSA-N 1 0 499.681 2.603 50 10 JFCARO CC[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)CC1 ZINC000033581938 521700927 /nfs/dbraw/zinc/70/09/27/521700927.db2.gz LDWZSOPBDAFDNC-OBGWFSINSA-N 1 0 469.636 2.980 50 10 JFCARO COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccccc3O)CC2)C1=O ZINC000014982741 523804019 /nfs/dbraw/zinc/80/40/19/523804019.db2.gz ZFDSKYPPYFITMC-VWLOTQADSA-N 1 0 455.530 2.923 50 10 JFCARO CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)N3CC[NH+](C)CC3)ccc21 ZINC000022734785 523920345 /nfs/dbraw/zinc/92/03/45/523920345.db2.gz CDQGUBLYYUVUEP-XMMPIXPASA-N 1 0 460.578 2.894 50 10 JFCARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1 ZINC000022735306 524131527 /nfs/dbraw/zinc/13/15/27/524131527.db2.gz BYMYWELSHIDNQH-RUZDIDTESA-N 1 0 463.626 2.729 50 10 JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)[NH+](C)C)ccc21 ZINC000008963929 554838233 /nfs/dbraw/zinc/83/82/33/554838233.db2.gz MXEUKPFIEOQOJM-LJQANCHMSA-N 1 0 450.461 2.935 50 10 JFCARO CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCC3)ccc21 ZINC000009135529 554932146 /nfs/dbraw/zinc/93/21/46/554932146.db2.gz LFEMUZVGVRJAFU-OAQYLSRUSA-N 1 0 450.539 2.690 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)CN3c4ccccc4SCCC3=O)CC2)cc1 ZINC000009833375 555535825 /nfs/dbraw/zinc/53/58/25/555535825.db2.gz QPMCGPFKWDIRMS-UHFFFAOYSA-N 1 0 468.623 2.853 50 10 JFCARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC000014538555 555827955 /nfs/dbraw/zinc/82/79/55/555827955.db2.gz FFIMSBDLUMDCAI-UHFFFAOYSA-N 1 0 489.620 2.614 50 10 JFCARO CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)[NH+]3CCCCC3)ccc21 ZINC000023858021 556093157 /nfs/dbraw/zinc/09/31/57/556093157.db2.gz UREKYKBCVCOCHW-QFIPXVFZSA-N 1 0 464.566 2.732 50 10 JFCARO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033904 556117933 /nfs/dbraw/zinc/11/79/33/556117933.db2.gz RLUGXWLFCZJFNM-BMEWAZJXSA-N 1 0 489.572 2.956 50 10 JFCARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1 ZINC000013007863 556199070 /nfs/dbraw/zinc/19/90/70/556199070.db2.gz DGFJCMBHTNYBFA-QHCPKHFHSA-N 1 0 466.582 2.978 50 10 JFCARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1 ZINC000013007948 556199407 /nfs/dbraw/zinc/19/94/07/556199407.db2.gz LPHOPWQHTAKXSY-XMMPIXPASA-N 1 0 450.583 2.647 50 10 JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)[NH+]3CCCCC3)ccc21 ZINC000013007917 556199504 /nfs/dbraw/zinc/19/95/04/556199504.db2.gz LCFZPFJDLCAKFX-OAQYLSRUSA-N 1 0 450.539 2.690 50 10 JFCARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000017028012 556207254 /nfs/dbraw/zinc/20/72/54/556207254.db2.gz RWDICRJTVGAJFP-RSOWOLOUSA-N 1 0 469.925 2.513 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3nnc(Cc4ccc(F)cc4)o3)CC2)cc1 ZINC000008588359 562941392 /nfs/dbraw/zinc/94/13/92/562941392.db2.gz UKFXAFPENWWJHO-UHFFFAOYSA-N 1 0 453.518 2.750 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000035374993 569684331 /nfs/dbraw/zinc/68/43/31/569684331.db2.gz GYANDCQRFGDFAY-CGJWLDQMSA-N 1 0 469.925 2.513 50 10 JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375222 569684397 /nfs/dbraw/zinc/68/43/97/569684397.db2.gz RGGHTDNUGBUOLN-LIBFDHGXSA-N 1 0 469.925 2.513 50 10 JFCARO CCOC(=O)c1nc2onc(C)c2c(NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000035534932 569701517 /nfs/dbraw/zinc/70/15/17/569701517.db2.gz VLPNZVQFLJQNBB-UHFFFAOYSA-N 1 0 454.531 2.736 50 10 JFCARO COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022734709 522119984 /nfs/dbraw/zinc/11/99/84/522119984.db2.gz DYDBUUTYIYUVQB-HSZRJFAPSA-N 1 0 482.625 2.813 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(NC(=O)[C@H]4CCCO4)cc3)CC2)cc1 ZINC000004765320 524424573 /nfs/dbraw/zinc/42/45/73/524424573.db2.gz RNUXMYDCAPHZOW-XMMPIXPASA-N 1 0 466.582 2.755 50 10 JFCARO COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CC[NH+](C)CC1 ZINC000022734884 524662877 /nfs/dbraw/zinc/66/28/77/524662877.db2.gz YNGKEAUOUKPLSS-HSZRJFAPSA-N 1 0 452.599 2.561 50 10 JFCARO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1 ZINC000022734486 525761078 /nfs/dbraw/zinc/76/10/78/525761078.db2.gz WBOVMBURMDBCTB-HSZRJFAPSA-N 1 0 470.017 2.684 50 10 JFCARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1 ZINC000002321065 554147355 /nfs/dbraw/zinc/14/73/55/554147355.db2.gz LQDYDLGZIHYNQE-ATVHPVEESA-N 1 0 457.625 2.754 50 10 JFCARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c(OC)c1 ZINC000009135568 554932474 /nfs/dbraw/zinc/93/24/74/554932474.db2.gz XJABCIBNWKLYKR-HSZRJFAPSA-N 1 0 466.582 2.978 50 10 JFCARO CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCc2ccccc2)cc1 ZINC000014536083 555825047 /nfs/dbraw/zinc/82/50/47/555825047.db2.gz WBSVRZTXWIOYEU-RMKNXTFCSA-N 1 0 489.620 2.593 50 10 JFCARO CCOc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1O ZINC000020598484 555840524 /nfs/dbraw/zinc/84/05/24/555840524.db2.gz XPHGGMAWIPWHEI-SFHVURJKSA-N 1 0 465.554 2.697 50 10 JFCARO COc1cccc(C[C@]2(C3CC[NH+](Cc4cccc(OC)c4O)CC3)NC(=O)N(C)C2=O)c1 ZINC000011995345 555878151 /nfs/dbraw/zinc/87/81/51/555878151.db2.gz LMLNLTQFZBIOAI-RUZDIDTESA-N 1 0 453.539 2.785 50 10 JFCARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cccnc4)n3CC2)c1O ZINC000012190244 555937032 /nfs/dbraw/zinc/93/70/32/555937032.db2.gz RFHAFSYRXRUACW-HXUWFJFHSA-N 1 0 464.570 2.963 50 10 JFCARO CCCN1CCCc2cc(C[N@H+]3CCc4nnc(CCNC(=O)C5CCOCC5)n4CC3)ccc21 ZINC000023338894 556047749 /nfs/dbraw/zinc/04/77/49/556047749.db2.gz KXLPPKFWECMZAS-UHFFFAOYSA-N 1 0 480.657 2.584 50 10 JFCARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)c(O)c1)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000015957015 556088785 /nfs/dbraw/zinc/08/87/85/556088785.db2.gz GZZDCSKTNMMCRO-GDNALLQQSA-N 1 0 489.915 2.919 50 10 biogenic JFCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CC[NH+](C)CC3)ccc21 ZINC000023857706 556093115 /nfs/dbraw/zinc/09/31/15/556093115.db2.gz XZZUQWCZSUNDFI-JOCHJYFZSA-N 1 0 473.980 2.515 50 10 JFCARO CCc1ccc2c(c1)[C@@]1([NH2+][C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967811 556094116 /nfs/dbraw/zinc/09/41/16/556094116.db2.gz ONEXPVCGLIADDB-PXMCIRSJSA-N 1 0 497.551 2.824 50 10 biogenic JFCARO CCc1ccc2c(c1)[C@@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015967815 556094241 /nfs/dbraw/zinc/09/42/41/556094241.db2.gz ONEXPVCGLIADDB-KMGQHQDOSA-N 1 0 497.551 2.824 50 10 biogenic JFCARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)c(O)c1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022224 556114778 /nfs/dbraw/zinc/11/47/78/556114778.db2.gz RGGHTDNUGBUOLN-BATOJLOWSA-N 1 0 469.925 2.513 50 10 JFCARO CCc1ccc2c(c1)[C@]1([NH2+][C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000016033905 556118059 /nfs/dbraw/zinc/11/80/59/556118059.db2.gz RLUGXWLFCZJFNM-IGGVYQGESA-N 1 0 489.572 2.956 50 10 JFCARO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(=O)n4c5ccccc5nc4s3)CC2)cc1 ZINC000033008851 569615924 /nfs/dbraw/zinc/61/59/24/569615924.db2.gz STLKYHFKKUWPIM-UHFFFAOYSA-N 1 0 477.590 2.860 50 10 JFCARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)CC1 ZINC000033863177 569636579 /nfs/dbraw/zinc/63/65/79/569636579.db2.gz IWELBDUTRDYPIS-GHRIWEEISA-N 1 0 457.625 2.754 50 10 JFCARO