smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000009933885 195025941 /nfs/dbraw/zinc/02/59/41/195025941.db2.gz WWWSHAHFKKLOLS-RUZDIDTESA-N 2 1 483.653 4.109 50 0 JIAAMP CCCCc1ncc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000012203629 521295895 /nfs/dbraw/zinc/29/58/95/521295895.db2.gz MEIQRRFMXVPKPB-DEOSSOPVSA-N 2 1 451.659 4.135 50 0 JIAAMP CCCCc1nc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000012203629 521295908 /nfs/dbraw/zinc/29/59/08/521295908.db2.gz MEIQRRFMXVPKPB-DEOSSOPVSA-N 2 1 451.659 4.135 50 0 JIAAMP CCCCc1nc(C[NH+]2CCC(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000012203629 521295921 /nfs/dbraw/zinc/29/59/21/521295921.db2.gz MEIQRRFMXVPKPB-DEOSSOPVSA-N 2 1 451.659 4.135 50 0 JIAAMP COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000014888434 523760741 /nfs/dbraw/zinc/76/07/41/523760741.db2.gz BOVLZFOKJUJWQE-MUUNZHRXSA-N 2 1 461.654 4.095 50 0 JIAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014531462 555818750 /nfs/dbraw/zinc/81/87/50/555818750.db2.gz WVYZRLGAYVHIFB-OYFGVDPJSA-N 2 1 489.704 4.335 50 0 JIAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014531462 555818752 /nfs/dbraw/zinc/81/87/52/555818752.db2.gz WVYZRLGAYVHIFB-OYFGVDPJSA-N 2 1 489.704 4.335 50 0 JIAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014531462 555818755 /nfs/dbraw/zinc/81/87/55/555818755.db2.gz WVYZRLGAYVHIFB-OYFGVDPJSA-N 2 1 489.704 4.335 50 0 JIAAMP Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000015961476 556092840 /nfs/dbraw/zinc/09/28/40/556092840.db2.gz NZORQKRPSGFQLE-UHFFFAOYSA-N 2 1 488.705 4.030 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cc2)CC1 ZINC000008723624 569599288 /nfs/dbraw/zinc/59/92/88/569599288.db2.gz NTXRNHMJAQZFSW-FQEVSTJZSA-N 2 1 463.651 4.256 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cc2)CC1 ZINC000008723624 569599289 /nfs/dbraw/zinc/59/92/89/569599289.db2.gz NTXRNHMJAQZFSW-FQEVSTJZSA-N 2 1 463.651 4.256 50 0 JIAAMP CC[NH+](C[C@@H](O)COc1ccc(OC[C@H](O)C[N@H+](CC)C2CCCCC2)cc1)C1CCCCC1 ZINC000006512284 554548646 /nfs/dbraw/zinc/54/86/46/554548646.db2.gz VSGSVHFSHDWESR-CLJLJLNGSA-N 2 1 476.702 4.475 50 0 JIAAMP CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCC[N@@H+](C)Cc4ccccc4)ccc3n2)CC1 ZINC000020153673 555672962 /nfs/dbraw/zinc/67/29/62/555672962.db2.gz FBONWBMLAZMRQS-UHFFFAOYSA-N 2 1 476.694 4.104 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000022926286 555977917 /nfs/dbraw/zinc/97/79/17/555977917.db2.gz CUIGPDREZZYHBA-MHZLTWQESA-N 2 1 451.655 4.007 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000022926286 555977919 /nfs/dbraw/zinc/97/79/19/555977919.db2.gz CUIGPDREZZYHBA-MHZLTWQESA-N 2 1 451.655 4.007 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+]4CCC[C@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213855 521669617 /nfs/dbraw/zinc/66/96/17/521669617.db2.gz KOKZWNZLXVZWQM-LJAQVGFWSA-N 2 1 490.692 4.114 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCC[C@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213855 521669623 /nfs/dbraw/zinc/66/96/23/521669623.db2.gz KOKZWNZLXVZWQM-LJAQVGFWSA-N 2 1 490.692 4.114 50 0 JIAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014732966 524056417 /nfs/dbraw/zinc/05/64/17/524056417.db2.gz YZXAGSVIMSHMJQ-FCHUYYIVSA-N 2 1 477.571 4.290 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@H+](Cc3ccc(SC)cc3)C2)cc1 ZINC000014968848 525110002 /nfs/dbraw/zinc/11/00/02/525110002.db2.gz LRASMDAYKIBTGP-RPBOFIJWSA-N 2 1 485.719 4.316 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@@H+](Cc3ccc(SC)cc3)C2)cc1 ZINC000014968848 525110005 /nfs/dbraw/zinc/11/00/05/525110005.db2.gz LRASMDAYKIBTGP-RPBOFIJWSA-N 2 1 485.719 4.316 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)[NH+](Cc3ccc(SC)cc3)C2)cc1 ZINC000014968848 525110010 /nfs/dbraw/zinc/11/00/10/525110010.db2.gz LRASMDAYKIBTGP-RPBOFIJWSA-N 2 1 485.719 4.316 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[NH+](Cc3ccc(SC)cc3)C2)cc1 ZINC000014968848 525110015 /nfs/dbraw/zinc/11/00/15/525110015.db2.gz LRASMDAYKIBTGP-RPBOFIJWSA-N 2 1 485.719 4.316 50 0 JIAAMP COc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1Cn1cccn1 ZINC000012028138 555886275 /nfs/dbraw/zinc/88/62/75/555886275.db2.gz DSOGQCRYBVXYJV-UHFFFAOYSA-N 2 1 450.602 4.466 50 0 JIAAMP CCC[C@@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012150497 555922861 /nfs/dbraw/zinc/92/28/61/555922861.db2.gz KWYJANOWDKSMFL-RDGATRHJSA-N 2 1 494.602 4.492 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@@H+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939118 /nfs/dbraw/zinc/93/91/18/555939118.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 2 1 497.705 4.220 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)[NH+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939121 /nfs/dbraw/zinc/93/91/21/555939121.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 2 1 497.705 4.220 50 0 JIAAMP COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[NH+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012191647 555939124 /nfs/dbraw/zinc/93/91/24/555939124.db2.gz RIMUBBNDHJDUKU-FTJBHMTQSA-N 2 1 497.705 4.220 50 0 JIAAMP CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014754616 524032190 /nfs/dbraw/zinc/03/21/90/524032190.db2.gz JFVPHFVPRMMJHV-RUZDIDTESA-N 2 1 477.697 4.277 50 0 JIAAMP Cc1cccc(N2CCN(C(=O)CC[N@H+]3Cc4ccccc4O[C@H](c4ccccc4F)C3)CC2)[nH+]1 ZINC000012042618 555895001 /nfs/dbraw/zinc/89/50/01/555895001.db2.gz NRVXBMZGHBFEFM-SANMLTNESA-N 2 1 474.580 4.204 50 0 JIAAMP Cc1cccc(N2CCN(C(=O)CC[N@@H+]3Cc4ccccc4O[C@H](c4ccccc4F)C3)CC2)[nH+]1 ZINC000012042618 555895004 /nfs/dbraw/zinc/89/50/04/555895004.db2.gz NRVXBMZGHBFEFM-SANMLTNESA-N 2 1 474.580 4.204 50 0 JIAAMP COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012152666 555926716 /nfs/dbraw/zinc/92/67/16/555926716.db2.gz DKNLVUQEHMXAAJ-MUUNZHRXSA-N 2 1 463.622 4.139 50 0 JIAAMP CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000014754617 524031835 /nfs/dbraw/zinc/03/18/35/524031835.db2.gz JFVPHFVPRMMJHV-VWLOTQADSA-N 2 1 477.697 4.277 50 0 JIAAMP CC[NH+](C[C@H](O)COc1ccc(OC[C@H](O)C[N@H+](CC)C2CCCCC2)cc1)C1CCCCC1 ZINC000006512280 554548657 /nfs/dbraw/zinc/54/86/57/554548657.db2.gz VSGSVHFSHDWESR-WMPKNSHKSA-N 2 1 476.702 4.475 50 0 JIAAMP CC[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@H+](CC)C2CCCCC2)cc1)C1CCCCC1 ZINC000006512280 554548661 /nfs/dbraw/zinc/54/86/61/554548661.db2.gz VSGSVHFSHDWESR-WMPKNSHKSA-N 2 1 476.702 4.475 50 0 JIAAMP CC[NH+](C[C@@H](O)COc1ccc(OC[C@@H](O)C[N@@H+](CC)C2CCCCC2)cc1)C1CCCCC1 ZINC000006512280 554548665 /nfs/dbraw/zinc/54/86/65/554548665.db2.gz VSGSVHFSHDWESR-WMPKNSHKSA-N 2 1 476.702 4.475 50 0 JIAAMP COc1ccc(Br)cc1C(=O)NCCC[N@H+](C)CCC[NH+](C)Cc1ccccc1 ZINC000013956831 555661549 /nfs/dbraw/zinc/66/15/49/555661549.db2.gz PHXICNODYFDGFK-UHFFFAOYSA-N 2 1 462.432 4.032 50 0 JIAAMP COc1ccc(Br)cc1C(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc1ccccc1 ZINC000013956831 555661550 /nfs/dbraw/zinc/66/15/50/555661550.db2.gz PHXICNODYFDGFK-UHFFFAOYSA-N 2 1 462.432 4.032 50 0 JIAAMP COc1ccc(Br)cc1C(=O)NCCC[NH+](C)CCC[N@H+](C)Cc1ccccc1 ZINC000013956831 555661555 /nfs/dbraw/zinc/66/15/55/555661555.db2.gz PHXICNODYFDGFK-UHFFFAOYSA-N 2 1 462.432 4.032 50 0 JIAAMP COc1ccc(Br)cc1C(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc1ccccc1 ZINC000013956831 555661558 /nfs/dbraw/zinc/66/15/58/555661558.db2.gz PHXICNODYFDGFK-UHFFFAOYSA-N 2 1 462.432 4.032 50 0 JIAAMP C[N@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1)C1CCCCC1 ZINC000063584641 569615538 /nfs/dbraw/zinc/61/55/38/569615538.db2.gz MVZFAUHQCFRZCJ-UHFFFAOYSA-N 2 1 493.725 4.400 50 0 JIAAMP C[N@@H+](CCC[NH2+]Cc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1)C1CCCCC1 ZINC000063584641 569615539 /nfs/dbraw/zinc/61/55/39/569615539.db2.gz MVZFAUHQCFRZCJ-UHFFFAOYSA-N 2 1 493.725 4.400 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H](C)Cn4ccc5ccccc54)CC3)cc2)CC1 ZINC000014884069 521669781 /nfs/dbraw/zinc/66/97/81/521669781.db2.gz WOLKZVCQCXVKKJ-HSZRJFAPSA-N 2 1 473.665 4.066 50 0 JIAAMP CCC[C@@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000014982181 520959642 /nfs/dbraw/zinc/95/96/42/520959642.db2.gz BNCYAXLSPAJDBI-CUBQBAPOSA-N 2 1 484.685 4.099 50 0 JIAAMP CCn1cc(C[NH+]2CCC([C@@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c(C)n1 ZINC000012245408 523368362 /nfs/dbraw/zinc/36/83/62/523368362.db2.gz OZOUMGBQKOHYNM-HHHXNRCGSA-N 2 1 466.649 4.348 50 0 JIAAMP COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000014888432 523761097 /nfs/dbraw/zinc/76/10/97/523761097.db2.gz BOVLZFOKJUJWQE-NDEPHWFRSA-N 2 1 461.654 4.095 50 0 JIAAMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccccc2)C1 ZINC000014740662 523847202 /nfs/dbraw/zinc/84/72/02/523847202.db2.gz SDJKINQKSQEVIZ-VCTRFXNDSA-N 2 1 475.677 4.293 50 0 JIAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014740662 523847208 /nfs/dbraw/zinc/84/72/08/523847208.db2.gz SDJKINQKSQEVIZ-VCTRFXNDSA-N 2 1 475.677 4.293 50 0 JIAAMP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014740662 523847213 /nfs/dbraw/zinc/84/72/13/523847213.db2.gz SDJKINQKSQEVIZ-VCTRFXNDSA-N 2 1 475.677 4.293 50 0 JIAAMP CCC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012150496 555922820 /nfs/dbraw/zinc/92/28/20/555922820.db2.gz KWYJANOWDKSMFL-WIOPSUGQSA-N 2 1 494.602 4.492 50 0 JIAAMP C[N@@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCCCC[NH+]2C)c1)Cc1cccc2cccnc21 ZINC000012283556 555948647 /nfs/dbraw/zinc/94/86/47/555948647.db2.gz PXXLZIHZSLQOSN-SANMLTNESA-N 2 1 460.622 4.236 50 0 JIAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012283556 555948651 /nfs/dbraw/zinc/94/86/51/555948651.db2.gz PXXLZIHZSLQOSN-SANMLTNESA-N 2 1 460.622 4.236 50 0 JIAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@@H]2CCCCC[N@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012283556 555948655 /nfs/dbraw/zinc/94/86/55/555948655.db2.gz PXXLZIHZSLQOSN-SANMLTNESA-N 2 1 460.622 4.236 50 0 JIAAMP COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1 ZINC000034760476 569657679 /nfs/dbraw/zinc/65/76/79/569657679.db2.gz HEFSDOLFADKEFO-IGKIAQTJSA-N 2 1 467.654 4.393 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4cccc(OC(F)(F)F)c4)CC3)cc2)CC1 ZINC000011881883 555850187 /nfs/dbraw/zinc/85/01/87/555850187.db2.gz ZMKJBECUSUNYGB-UHFFFAOYSA-N 2 1 490.570 4.122 50 0 JIAAMP O=C(CN1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000109050693 569860487 /nfs/dbraw/zinc/86/04/87/569860487.db2.gz YJRMUQWVGCWAGH-IXCJQBJRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000109050693 569860488 /nfs/dbraw/zinc/86/04/88/569860488.db2.gz YJRMUQWVGCWAGH-IXCJQBJRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000109050693 569860489 /nfs/dbraw/zinc/86/04/89/569860489.db2.gz YJRMUQWVGCWAGH-IXCJQBJRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000109050693 569860490 /nfs/dbraw/zinc/86/04/90/569860490.db2.gz YJRMUQWVGCWAGH-IXCJQBJRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000109050693 569860491 /nfs/dbraw/zinc/86/04/91/569860491.db2.gz YJRMUQWVGCWAGH-IXCJQBJRSA-N 2 1 488.676 4.240 50 0 JIAAMP Cn1cc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000064669784 569623743 /nfs/dbraw/zinc/62/37/43/569623743.db2.gz ATYLWBPCDGFAOA-UHFFFAOYSA-N 2 1 453.030 4.292 50 0 JIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000014953850 527691442 /nfs/dbraw/zinc/69/14/42/527691442.db2.gz OLMYRPCPHVRBOR-GDLZYMKVSA-N 2 1 494.655 4.194 50 0 JIAAMP C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014533586 555821887 /nfs/dbraw/zinc/82/18/87/555821887.db2.gz LTPOIIAGTXLTDV-XZOQPEGZSA-N 2 1 491.598 4.333 50 0 JIAAMP C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243494 569591269 /nfs/dbraw/zinc/59/12/69/569591269.db2.gz HZRWAXGZZGQGOP-HHHXNRCGSA-N 2 1 499.099 4.422 50 0 JIAAMP C[N@H+]1CCCCC[C@@H]1C(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243494 569591270 /nfs/dbraw/zinc/59/12/70/569591270.db2.gz HZRWAXGZZGQGOP-HHHXNRCGSA-N 2 1 499.099 4.422 50 0 JIAAMP Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000065314984 569672701 /nfs/dbraw/zinc/67/27/01/569672701.db2.gz BRVCLIJRMCOAEN-UHFFFAOYSA-N 2 1 488.676 4.049 50 0 JIAAMP c1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576825 555831414 /nfs/dbraw/zinc/83/14/14/555831414.db2.gz NVAPRBXSQOVFIE-UHFFFAOYSA-N 2 1 450.656 4.463 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022925893 555977866 /nfs/dbraw/zinc/97/78/66/555977866.db2.gz PYGFGADFQSVKPG-MHZLTWQESA-N 2 1 451.655 4.007 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022925893 555977868 /nfs/dbraw/zinc/97/78/68/555977868.db2.gz PYGFGADFQSVKPG-MHZLTWQESA-N 2 1 451.655 4.007 50 0 JIAAMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[N@H+](C[C@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000247822045 570069772 /nfs/dbraw/zinc/06/97/72/570069772.db2.gz HDTXPDBFIFFVNN-HXUWFJFHSA-N 2 1 469.699 4.103 50 0 JIAAMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[N@@H+](C[C@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000247822045 570069773 /nfs/dbraw/zinc/06/97/73/570069773.db2.gz HDTXPDBFIFFVNN-HXUWFJFHSA-N 2 1 469.699 4.103 50 0 JIAAMP CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000019890158 555529558 /nfs/dbraw/zinc/52/95/58/555529558.db2.gz WWWSHAHFKKLOLS-VWLOTQADSA-N 2 1 483.653 4.109 50 0 JIAAMP CC[NH+](CC)CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000020271787 555748942 /nfs/dbraw/zinc/74/89/42/555748942.db2.gz BDLDTBZLZWLYLE-OAQYLSRUSA-N 2 1 481.637 4.151 50 0 JIAAMP CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097619 555905075 /nfs/dbraw/zinc/90/50/75/555905075.db2.gz IJKVSTZYHQNDKU-VWLOTQADSA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097619 555905078 /nfs/dbraw/zinc/90/50/78/555905078.db2.gz IJKVSTZYHQNDKU-VWLOTQADSA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097619 555905082 /nfs/dbraw/zinc/90/50/82/555905082.db2.gz IJKVSTZYHQNDKU-VWLOTQADSA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097619 555905085 /nfs/dbraw/zinc/90/50/85/555905085.db2.gz IJKVSTZYHQNDKU-VWLOTQADSA-N 2 1 492.664 4.120 50 0 JIAAMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000017318256 556258769 /nfs/dbraw/zinc/25/87/69/556258769.db2.gz RJDIOPDFXJFLPO-UHFFFAOYSA-N 2 1 453.590 4.115 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC5(C=Cc6ccccc65)CC4)CC3)cc2)CC1 ZINC000014998051 521670427 /nfs/dbraw/zinc/67/04/27/521670427.db2.gz ZAADWBIOIDWDHB-UHFFFAOYSA-N 2 1 484.688 4.494 50 0 JIAAMP CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ccc3n2)CC1 ZINC000020153595 555673048 /nfs/dbraw/zinc/67/30/48/555673048.db2.gz RBNBQBBJMDLBSS-OYRHEFFESA-N 2 1 482.742 4.340 50 0 JIAAMP COCC[N@@H+](Cc1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000015002729 555847570 /nfs/dbraw/zinc/84/75/70/555847570.db2.gz GTRZVZVTPPLRLQ-NDEPHWFRSA-N 2 1 463.622 4.139 50 0 JIAAMP Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000014953846 527691854 /nfs/dbraw/zinc/69/18/54/527691854.db2.gz OLMYRPCPHVRBOR-LJAQVGFWSA-N 2 1 494.655 4.194 50 0 JIAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014539031 555828674 /nfs/dbraw/zinc/82/86/74/555828674.db2.gz KRXGHEFRIOFJRU-WIOPSUGQSA-N 2 1 463.597 4.174 50 0 JIAAMP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057335935 569599040 /nfs/dbraw/zinc/59/90/40/569599040.db2.gz DBKZCKTYJSNOJD-MHZLTWQESA-N 2 1 457.622 4.123 50 0 JIAAMP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057335935 569599042 /nfs/dbraw/zinc/59/90/42/569599042.db2.gz DBKZCKTYJSNOJD-MHZLTWQESA-N 2 1 457.622 4.123 50 0 JIAAMP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057335938 569599078 /nfs/dbraw/zinc/59/90/78/569599078.db2.gz DBKZCKTYJSNOJD-HHHXNRCGSA-N 2 1 457.622 4.123 50 0 JIAAMP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057335938 569599080 /nfs/dbraw/zinc/59/90/80/569599080.db2.gz DBKZCKTYJSNOJD-HHHXNRCGSA-N 2 1 457.622 4.123 50 0 JIAAMP O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000245225574 570054772 /nfs/dbraw/zinc/05/47/72/570054772.db2.gz YJRMUQWVGCWAGH-XTEPFMGCSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000245225574 570054773 /nfs/dbraw/zinc/05/47/73/570054773.db2.gz YJRMUQWVGCWAGH-XTEPFMGCSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000245225574 570054775 /nfs/dbraw/zinc/05/47/75/570054775.db2.gz YJRMUQWVGCWAGH-XTEPFMGCSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000245225574 570054777 /nfs/dbraw/zinc/05/47/77/570054777.db2.gz YJRMUQWVGCWAGH-XTEPFMGCSA-N 2 1 488.676 4.240 50 0 JIAAMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000245327009 570065151 /nfs/dbraw/zinc/06/51/51/570065151.db2.gz HUROHIKGGOTJAX-BWKNWUBXSA-N 2 1 489.104 4.037 50 0 JIAAMP CCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248216774 570076325 /nfs/dbraw/zinc/07/63/25/570076325.db2.gz GPPNTZVMZURTSO-QFIPXVFZSA-N 2 1 477.628 4.321 50 0 JIAAMP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014744999 525438365 /nfs/dbraw/zinc/43/83/65/525438365.db2.gz DEBKQTJBIWLFDS-RPLLCQBOSA-N 2 1 474.649 4.128 50 0 JIAAMP C[N@@H+]1CCCCC[C@H]1C(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243497 569591192 /nfs/dbraw/zinc/59/11/92/569591192.db2.gz HZRWAXGZZGQGOP-MHZLTWQESA-N 2 1 499.099 4.422 50 0 JIAAMP C[N@H+]1CCCCC[C@H]1C(=O)NCCCOc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055243497 569591195 /nfs/dbraw/zinc/59/11/95/569591195.db2.gz HZRWAXGZZGQGOP-MHZLTWQESA-N 2 1 499.099 4.422 50 0 JIAAMP O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027769 195363148 /nfs/dbraw/zinc/36/31/48/195363148.db2.gz YJRMUQWVGCWAGH-IAPPQJPRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027769 195363150 /nfs/dbraw/zinc/36/31/50/195363150.db2.gz YJRMUQWVGCWAGH-IAPPQJPRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027769 195363153 /nfs/dbraw/zinc/36/31/53/195363153.db2.gz YJRMUQWVGCWAGH-IAPPQJPRSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027769 195363156 /nfs/dbraw/zinc/36/31/56/195363156.db2.gz YJRMUQWVGCWAGH-IAPPQJPRSA-N 2 1 488.676 4.240 50 0 JIAAMP CC[NH+](C[C@H](O)COc1ccc(OC[C@@H](O)C[N@H+](CC)C2CCCCC2)cc1)C1CCCCC1 ZINC000011565517 555787915 /nfs/dbraw/zinc/78/79/15/555787915.db2.gz VSGSVHFSHDWESR-UIOOFZCWSA-N 2 1 476.702 4.475 50 0 JIAAMP CC(=O)N1CCC([N@H+]2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)CC1 ZINC000014956345 519512330 /nfs/dbraw/zinc/51/23/30/519512330.db2.gz MULRRLNDFNIEMZ-UHFFFAOYSA-N 2 1 477.649 4.073 50 0 JIAAMP CC[NH+](CC)CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1C[NH+]1CCCCC1 ZINC000012411635 520692014 /nfs/dbraw/zinc/69/20/14/520692014.db2.gz MUYRAGAZBFYJIG-UHFFFAOYSA-N 2 1 480.447 4.434 50 0 JIAAMP CCC[C@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014982187 521313752 /nfs/dbraw/zinc/31/37/52/521313752.db2.gz BNCYAXLSPAJDBI-UFHPHHKVSA-N 2 1 484.685 4.099 50 0 JIAAMP C[C@@H](C1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1 ZINC000014883694 524337506 /nfs/dbraw/zinc/33/75/06/524337506.db2.gz GXOHYBFAOQOUPM-DWACAAAGSA-N 2 1 495.639 4.111 50 0 JIAAMP COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012152665 555926688 /nfs/dbraw/zinc/92/66/88/555926688.db2.gz DKNLVUQEHMXAAJ-NDEPHWFRSA-N 2 1 463.622 4.139 50 0 JIAAMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)CC1 ZINC000035561570 569704616 /nfs/dbraw/zinc/70/46/16/569704616.db2.gz WWIPDQBJUKWBPT-UHFFFAOYSA-N 2 1 465.041 4.329 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104419600 569845742 /nfs/dbraw/zinc/84/57/42/569845742.db2.gz PYGFGADFQSVKPG-HHHXNRCGSA-N 2 1 451.655 4.007 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104419600 569845743 /nfs/dbraw/zinc/84/57/43/569845743.db2.gz PYGFGADFQSVKPG-HHHXNRCGSA-N 2 1 451.655 4.007 50 0 JIAAMP CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248216773 570076338 /nfs/dbraw/zinc/07/63/38/570076338.db2.gz GPPNTZVMZURTSO-JOCHJYFZSA-N 2 1 477.628 4.321 50 0 JIAAMP Cc1cccc(C[N@@H+]2CC=C(c3noc(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)n3)CC2)c1 ZINC000021944982 195340362 /nfs/dbraw/zinc/34/03/62/195340362.db2.gz UBCWVXCHDCRWMO-UHFFFAOYSA-N 2 1 477.653 4.077 50 0 JIAAMP c1csc(CC[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)c1 ZINC000020576352 555831077 /nfs/dbraw/zinc/83/10/77/555831077.db2.gz IUSWEKPKRNOPSG-UHFFFAOYSA-N 2 1 464.664 4.045 50 0 JIAAMP COCC[N@@H+](Cc1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000015002732 555847645 /nfs/dbraw/zinc/84/76/45/555847645.db2.gz GTRZVZVTPPLRLQ-MUUNZHRXSA-N 2 1 463.622 4.139 50 0 JIAAMP CCOc1ccc(C(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc2ccccc2)cc1Br ZINC000057270640 569595147 /nfs/dbraw/zinc/59/51/47/569595147.db2.gz RQAJEDKYVHJCLC-UHFFFAOYSA-N 2 1 476.459 4.422 50 0 JIAAMP CCOc1ccc(C(=O)NCCC[N@H+](C)CCC[NH+](C)Cc2ccccc2)cc1Br ZINC000057270640 569595144 /nfs/dbraw/zinc/59/51/44/569595144.db2.gz RQAJEDKYVHJCLC-UHFFFAOYSA-N 2 1 476.459 4.422 50 0 JIAAMP CCOc1ccc(C(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc2ccccc2)cc1Br ZINC000057270640 569595145 /nfs/dbraw/zinc/59/51/45/569595145.db2.gz RQAJEDKYVHJCLC-UHFFFAOYSA-N 2 1 476.459 4.422 50 0 JIAAMP CCOc1ccc(C(=O)NCCC[NH+](C)CCC[N@H+](C)Cc2ccccc2)cc1Br ZINC000057270640 569595146 /nfs/dbraw/zinc/59/51/46/569595146.db2.gz RQAJEDKYVHJCLC-UHFFFAOYSA-N 2 1 476.459 4.422 50 0 JIAAMP O=C(C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027758 195362936 /nfs/dbraw/zinc/36/29/36/195362936.db2.gz YJRMUQWVGCWAGH-XCZPVHLTSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[N@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027758 195362940 /nfs/dbraw/zinc/36/29/40/195362940.db2.gz YJRMUQWVGCWAGH-XCZPVHLTSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027758 195362944 /nfs/dbraw/zinc/36/29/44/195362944.db2.gz YJRMUQWVGCWAGH-XCZPVHLTSA-N 2 1 488.676 4.240 50 0 JIAAMP O=C(C[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000058027758 195362946 /nfs/dbraw/zinc/36/29/46/195362946.db2.gz YJRMUQWVGCWAGH-XCZPVHLTSA-N 2 1 488.676 4.240 50 0 JIAAMP CCC[C@@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000014982185 520958973 /nfs/dbraw/zinc/95/89/73/520958973.db2.gz BNCYAXLSPAJDBI-YWEHKCAJSA-N 2 1 484.685 4.099 50 0 JIAAMP Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000009731741 526741942 /nfs/dbraw/zinc/74/19/42/526741942.db2.gz NFJVAOPWLITBOJ-FQEVSTJZSA-N 2 1 452.643 4.409 50 0 JIAAMP CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCC[N@H+]4CCc5ccccc5C4)ccc3n2)CC1 ZINC000020153658 555673112 /nfs/dbraw/zinc/67/31/12/555673112.db2.gz MBNYEHKGKUKPGH-UHFFFAOYSA-N 2 1 488.705 4.030 50 0 JIAAMP COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1 ZINC000034760470 569657692 /nfs/dbraw/zinc/65/76/92/569657692.db2.gz HEFSDOLFADKEFO-SQHAQQRYSA-N 2 1 467.654 4.393 50 0 JIAAMP Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCCC[NH+]4CCOCC4)CC3)cc3ccccc32)c1 ZINC000065314989 569672622 /nfs/dbraw/zinc/67/26/22/569672622.db2.gz HHYWUMAYKNQBRC-UHFFFAOYSA-N 2 1 488.676 4.049 50 0 JIAAMP CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035561577 569704558 /nfs/dbraw/zinc/70/45/58/569704558.db2.gz SQDWEEOFBOGTOZ-UHFFFAOYSA-N 2 1 462.613 4.205 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+]4CCC[C@@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213853 521669728 /nfs/dbraw/zinc/66/97/28/521669728.db2.gz KOKZWNZLXVZWQM-GDLZYMKVSA-N 2 1 490.692 4.114 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+]4CCC[C@@H](OCc5ccccc5)C4)CC3)cc2)CC1 ZINC000012213853 521669731 /nfs/dbraw/zinc/66/97/31/521669731.db2.gz KOKZWNZLXVZWQM-GDLZYMKVSA-N 2 1 490.692 4.114 50 0 JIAAMP Fc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000020576303 555831142 /nfs/dbraw/zinc/83/11/42/555831142.db2.gz ABJCUCRIUYILNH-UHFFFAOYSA-N 2 1 462.598 4.080 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012556310 556042286 /nfs/dbraw/zinc/04/22/86/556042286.db2.gz PDTFFPAWOSRMIL-RUZDIDTESA-N 2 1 452.599 4.347 50 0 JIAAMP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000070021926 569694927 /nfs/dbraw/zinc/69/49/27/569694927.db2.gz NQGGLEXBOGEYHY-NRFANRHFSA-N 2 1 468.667 4.135 50 0 JIAAMP CCCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000248213623 570076322 /nfs/dbraw/zinc/07/63/22/570076322.db2.gz FHKBBRYLLNUFLI-UHFFFAOYSA-N 2 1 477.628 4.321 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](C)Cn4ccc5ccccc54)CC3)cc2)CC1 ZINC000014884067 521670302 /nfs/dbraw/zinc/67/03/02/521670302.db2.gz WOLKZVCQCXVKKJ-QHCPKHFHSA-N 2 1 473.665 4.066 50 0 JIAAMP CCn1cc(C[NH+]2CCC([C@H](Cc3ccccc3F)[N@@H+](C)Cc3cn(C)nc3C)CC2)c(C)n1 ZINC000012245409 523367993 /nfs/dbraw/zinc/36/79/93/523367993.db2.gz OZOUMGBQKOHYNM-MHZLTWQESA-N 2 1 466.649 4.348 50 0 JIAAMP O=C(CN1CCC[N@@H+](Cc2ccccc2)CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023354776 556048573 /nfs/dbraw/zinc/04/85/73/556048573.db2.gz BUXOMEYYWHYHAA-UHFFFAOYSA-N 2 1 497.687 4.155 50 0 JIAAMP CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1cccc(Cl)c1 ZINC000023373887 556050239 /nfs/dbraw/zinc/05/02/39/556050239.db2.gz WTJOVLWRARBATF-FTJBHMTQSA-N 2 1 469.073 4.062 50 0 JIAAMP COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2CN(CC[NH+]2CCCC2)C(=O)C(C)C)c1 ZINC000105052489 569852659 /nfs/dbraw/zinc/85/26/59/569852659.db2.gz HEFSDOLFADKEFO-SHQCIBLASA-N 2 1 467.654 4.393 50 0 JIAAMP C[C@@H](C1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1 ZINC000215898703 569877769 /nfs/dbraw/zinc/87/77/69/569877769.db2.gz GXOHYBFAOQOUPM-RBISFHTESA-N 2 1 495.639 4.111 50 0 JIAAMP COc1ccc(Cc2noc(C[N@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)n2)cc1OC ZINC000012707293 195093172 /nfs/dbraw/zinc/09/31/72/195093172.db2.gz YFRDINVOUNKJNA-UHFFFAOYSA-N 2 1 450.583 4.022 50 0 JIAAMP COc1ccc(Cc2noc(C[N@@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)n2)cc1OC ZINC000012707293 195093175 /nfs/dbraw/zinc/09/31/75/195093175.db2.gz YFRDINVOUNKJNA-UHFFFAOYSA-N 2 1 450.583 4.022 50 0 JIAAMP COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000009361387 555123931 /nfs/dbraw/zinc/12/39/31/555123931.db2.gz SWMIMTLHAASJIS-VWLOTQADSA-N 2 1 479.665 4.081 50 0 JIAAMP COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000009361387 555123934 /nfs/dbraw/zinc/12/39/34/555123934.db2.gz SWMIMTLHAASJIS-VWLOTQADSA-N 2 1 479.665 4.081 50 0 JIAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014536097 555825429 /nfs/dbraw/zinc/82/54/29/555825429.db2.gz RBDKWJYUCADKTE-XMMPIXPASA-N 2 1 477.697 4.030 50 0 JIAAMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097616 555905114 /nfs/dbraw/zinc/90/51/14/555905114.db2.gz IJKVSTZYHQNDKU-RUZDIDTESA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097616 555905119 /nfs/dbraw/zinc/90/51/19/555905119.db2.gz IJKVSTZYHQNDKU-RUZDIDTESA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097616 555905121 /nfs/dbraw/zinc/90/51/21/555905121.db2.gz IJKVSTZYHQNDKU-RUZDIDTESA-N 2 1 492.664 4.120 50 0 JIAAMP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccc(NC(C)=O)cc2)CCO3)C1 ZINC000012097616 555905123 /nfs/dbraw/zinc/90/51/23/555905123.db2.gz IJKVSTZYHQNDKU-RUZDIDTESA-N 2 1 492.664 4.120 50 0 JIAAMP Cn1c(SCC[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012127954 555910575 /nfs/dbraw/zinc/91/05/75/555910575.db2.gz JEKGODXTYTXQRU-UHFFFAOYSA-N 2 1 478.062 4.155 50 0 JIAAMP O=C(CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023367182 556049817 /nfs/dbraw/zinc/04/98/17/556049817.db2.gz OBCHDCSAEDKJAZ-LBNVMWSVSA-N 2 1 478.656 4.241 50 0 JIAAMP O=C(CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023367182 556049820 /nfs/dbraw/zinc/04/98/20/556049820.db2.gz OBCHDCSAEDKJAZ-LBNVMWSVSA-N 2 1 478.656 4.241 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC(Oc5ccc(F)cc5)CC4)CC3)cc2)CC1 ZINC000014970796 521670460 /nfs/dbraw/zinc/67/04/60/521670460.db2.gz USIMRYLCMDLLLS-UHFFFAOYSA-N 2 1 494.655 4.116 50 0 JIAAMP CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153786 555673459 /nfs/dbraw/zinc/67/34/59/555673459.db2.gz BSCBMBWIWCBRKN-QFIPXVFZSA-N 2 1 468.715 4.236 50 0 JIAAMP CCC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@H]2CCC[N@H+]2C)C1=O ZINC000012150498 555922808 /nfs/dbraw/zinc/92/28/08/555922808.db2.gz KWYJANOWDKSMFL-RCZVLFRGSA-N 2 1 494.602 4.492 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104421162 569845745 /nfs/dbraw/zinc/84/57/45/569845745.db2.gz CUIGPDREZZYHBA-HHHXNRCGSA-N 2 1 451.655 4.007 50 0 JIAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104421162 569845746 /nfs/dbraw/zinc/84/57/46/569845746.db2.gz CUIGPDREZZYHBA-HHHXNRCGSA-N 2 1 451.655 4.007 50 0 JIAAMP CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1Cl ZINC000020999865 195265831 /nfs/dbraw/zinc/26/58/31/195265831.db2.gz NJBASHYCXMZWLV-RSXGOPAZSA-N 2 1 469.073 4.062 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC(c5ccccc5)CC4)CC3)cc2)CC1 ZINC000012452841 521669545 /nfs/dbraw/zinc/66/95/45/521669545.db2.gz ZQXJNXRSVPMHHB-UHFFFAOYSA-N 2 1 460.666 4.313 50 0 JIAAMP C[N@@H+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[NH+]1CCC[C@@H](c3ccccc3)C1)CCO2 ZINC000014968046 522966419 /nfs/dbraw/zinc/96/64/19/522966419.db2.gz SKJJLIHOAVHWOD-HHHXNRCGSA-N 2 1 498.671 4.357 50 0 JIAAMP C[NH+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[N@@H+]1CCC[C@@H](c3ccccc3)C1)CCO2 ZINC000014968046 522966430 /nfs/dbraw/zinc/96/64/30/522966430.db2.gz SKJJLIHOAVHWOD-HHHXNRCGSA-N 2 1 498.671 4.357 50 0 JIAAMP C[NH+](CCc1ccccn1)Cc1ccc2c(c1)CN(C(=O)C[N@H+]1CCC[C@@H](c3ccccc3)C1)CCO2 ZINC000014968046 522966434 /nfs/dbraw/zinc/96/64/34/522966434.db2.gz SKJJLIHOAVHWOD-HHHXNRCGSA-N 2 1 498.671 4.357 50 0 JIAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](Cc2ccccc2)C1 ZINC000014740661 523822287 /nfs/dbraw/zinc/82/22/87/523822287.db2.gz SDJKINQKSQEVIZ-HNPKZYAISA-N 2 1 475.677 4.293 50 0 JIAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014740661 523822290 /nfs/dbraw/zinc/82/22/90/523822290.db2.gz SDJKINQKSQEVIZ-HNPKZYAISA-N 2 1 475.677 4.293 50 0 JIAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014740661 523822296 /nfs/dbraw/zinc/82/22/96/523822296.db2.gz SDJKINQKSQEVIZ-HNPKZYAISA-N 2 1 475.677 4.293 50 0 JIAAMP COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000009361386 555123982 /nfs/dbraw/zinc/12/39/82/555123982.db2.gz SWMIMTLHAASJIS-RUZDIDTESA-N 2 1 479.665 4.081 50 0 JIAAMP COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000009361386 555123984 /nfs/dbraw/zinc/12/39/84/555123984.db2.gz SWMIMTLHAASJIS-RUZDIDTESA-N 2 1 479.665 4.081 50 0 JIAAMP CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153783 555673416 /nfs/dbraw/zinc/67/34/16/555673416.db2.gz BSCBMBWIWCBRKN-JOCHJYFZSA-N 2 1 468.715 4.236 50 0 JIAAMP CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCCC1)C2 ZINC000014536096 555825053 /nfs/dbraw/zinc/82/50/53/555825053.db2.gz RBDKWJYUCADKTE-DEOSSOPVSA-N 2 1 477.697 4.030 50 0 JIAAMP C[N@@H+](Cc1cccc(OCCNC(=O)[C@H]2CCCCC[NH+]2C)c1)Cc1cccc2cccnc21 ZINC000012283558 555948586 /nfs/dbraw/zinc/94/85/86/555948586.db2.gz PXXLZIHZSLQOSN-AREMUKBSSA-N 2 1 460.622 4.236 50 0 JIAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@H]2CCCCC[N@@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012283558 555948589 /nfs/dbraw/zinc/94/85/89/555948589.db2.gz PXXLZIHZSLQOSN-AREMUKBSSA-N 2 1 460.622 4.236 50 0 JIAAMP C[NH+](Cc1cccc(OCCNC(=O)[C@H]2CCCCC[N@H+]2C)c1)Cc1cccc2cccnc21 ZINC000012283558 555948595 /nfs/dbraw/zinc/94/85/95/555948595.db2.gz PXXLZIHZSLQOSN-AREMUKBSSA-N 2 1 460.622 4.236 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)CC1 ZINC000008723625 569599318 /nfs/dbraw/zinc/59/93/18/569599318.db2.gz NTXRNHMJAQZFSW-HXUWFJFHSA-N 2 1 463.651 4.256 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)CC1 ZINC000008723625 569599320 /nfs/dbraw/zinc/59/93/20/569599320.db2.gz NTXRNHMJAQZFSW-HXUWFJFHSA-N 2 1 463.651 4.256 50 0 JIAAMP CCCCc1ncc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000012203623 521295980 /nfs/dbraw/zinc/29/59/80/521295980.db2.gz MEIQRRFMXVPKPB-XMMPIXPASA-N 2 1 451.659 4.135 50 0 JIAAMP CCCCc1nc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000012203623 521295992 /nfs/dbraw/zinc/29/59/92/521295992.db2.gz MEIQRRFMXVPKPB-XMMPIXPASA-N 2 1 451.659 4.135 50 0 JIAAMP CCCCc1nc(C[NH+]2CCC(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000012203623 521296005 /nfs/dbraw/zinc/29/60/05/521296005.db2.gz MEIQRRFMXVPKPB-XMMPIXPASA-N 2 1 451.659 4.135 50 0 JIAAMP CCC[C@]1(C2CC[NH+](Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000014982183 521314074 /nfs/dbraw/zinc/31/40/74/521314074.db2.gz BNCYAXLSPAJDBI-RBJSKKJNSA-N 2 1 484.685 4.099 50 0 JIAAMP Cc1cccc(N2CCN(C(=O)CC[N@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)CC2)[nH+]1 ZINC000012042619 555895153 /nfs/dbraw/zinc/89/51/53/555895153.db2.gz NRVXBMZGHBFEFM-AREMUKBSSA-N 2 1 474.580 4.204 50 0 JIAAMP Cc1cccc(N2CCN(C(=O)CC[N@@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)CC2)[nH+]1 ZINC000012042619 555895157 /nfs/dbraw/zinc/89/51/57/555895157.db2.gz NRVXBMZGHBFEFM-AREMUKBSSA-N 2 1 474.580 4.204 50 0 JIAAMP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000017318148 556258595 /nfs/dbraw/zinc/25/85/95/556258595.db2.gz ICVPQMUUFGUQEY-UHFFFAOYSA-N 2 1 453.590 4.115 50 0 JIAAMP C[C@H](C1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1 ZINC000215898755 569877713 /nfs/dbraw/zinc/87/77/13/569877713.db2.gz GXOHYBFAOQOUPM-SKCUWOTOSA-N 2 1 495.639 4.111 50 0 JIAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014881942 521586539 /nfs/dbraw/zinc/58/65/39/521586539.db2.gz TXNCGHOEMBUXCM-MUUNZHRXSA-N 2 1 491.676 4.463 50 0 JIAAMP Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000009731744 526741714 /nfs/dbraw/zinc/74/17/14/526741714.db2.gz NFJVAOPWLITBOJ-HXUWFJFHSA-N 2 1 452.643 4.409 50 0 JIAAMP CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccc2ccccc2c1 ZINC000020999696 195265230 /nfs/dbraw/zinc/26/52/30/195265230.db2.gz NCIXIFHSDQTDRT-WDYNHAJCSA-N 2 1 470.661 4.173 50 0 JIAAMP C[C@H](C1CCN(C(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)CC1)[NH+]1CCOCC1 ZINC000014883696 526216377 /nfs/dbraw/zinc/21/63/77/526216377.db2.gz GXOHYBFAOQOUPM-DFHRPNOPSA-N 2 1 495.639 4.111 50 0 JIAAMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[NH+](CCc2ccccc2)C1 ZINC000014531461 555818625 /nfs/dbraw/zinc/81/86/25/555818625.db2.gz WVYZRLGAYVHIFB-RFYMFKDESA-N 2 1 489.704 4.335 50 0 JIAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](CCc2ccccc2)C1 ZINC000014531461 555818627 /nfs/dbraw/zinc/81/86/27/555818627.db2.gz WVYZRLGAYVHIFB-RFYMFKDESA-N 2 1 489.704 4.335 50 0 JIAAMP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](CCc2ccccc2)C1 ZINC000014531461 555818631 /nfs/dbraw/zinc/81/86/31/555818631.db2.gz WVYZRLGAYVHIFB-RFYMFKDESA-N 2 1 489.704 4.335 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015105813 555877050 /nfs/dbraw/zinc/87/70/50/555877050.db2.gz GNPMGRZRTYBHGZ-AREMUKBSSA-N 2 1 450.627 4.393 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)cc2)CC1 ZINC000015105814 555877072 /nfs/dbraw/zinc/87/70/72/555877072.db2.gz GNPMGRZRTYBHGZ-SANMLTNESA-N 2 1 450.627 4.393 50 0 JIAAMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012556309 556042291 /nfs/dbraw/zinc/04/22/91/556042291.db2.gz PDTFFPAWOSRMIL-VWLOTQADSA-N 2 1 452.599 4.347 50 0 JIAAMP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000070021929 569694895 /nfs/dbraw/zinc/69/48/95/569694895.db2.gz NQGGLEXBOGEYHY-OAQYLSRUSA-N 2 1 468.667 4.135 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@H+](C)Cc4nc5cc(C)c(C)cc5[nH]4)CC3)cc2)CC1 ZINC000011784805 555816485 /nfs/dbraw/zinc/81/64/85/555816485.db2.gz WGDKDOGHOBYFIG-UHFFFAOYSA-N 2 1 488.680 4.058 50 0 JIAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([N@@H+](C)Cc4nc5cc(C)c(C)cc5[nH]4)CC3)cc2)CC1 ZINC000011784805 555816489 /nfs/dbraw/zinc/81/64/89/555816489.db2.gz WGDKDOGHOBYFIG-UHFFFAOYSA-N 2 1 488.680 4.058 50 0 JIAAMP Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cn2)cc1C ZINC000035403617 569691313 /nfs/dbraw/zinc/69/13/13/569691313.db2.gz RAOBBMHAATXZNB-UHFFFAOYSA-N 2 1 461.654 4.055 50 0 JIAAMP Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cn2)cc1C ZINC000035403617 569691314 /nfs/dbraw/zinc/69/13/14/569691314.db2.gz RAOBBMHAATXZNB-UHFFFAOYSA-N 2 1 461.654 4.055 50 0 JIAAMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000022918859 555972891 /nfs/dbraw/zinc/97/28/91/555972891.db2.gz VBHZLLLJTMFEEK-UHFFFAOYSA-N 2 1 464.057 4.465 50 0 JIAAMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014881943 521595675 /nfs/dbraw/zinc/59/56/75/521595675.db2.gz TXNCGHOEMBUXCM-NDEPHWFRSA-N 2 1 491.676 4.463 50 0 JIAAMP CC[NH+](CC)CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000020271789 555748983 /nfs/dbraw/zinc/74/89/83/555748983.db2.gz BDLDTBZLZWLYLE-NRFANRHFSA-N 2 1 481.637 4.151 50 0 JIAAMP CCC[C@@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CC[C@@H]2CCC[N@H+]2C)C1=O ZINC000012150495 555922845 /nfs/dbraw/zinc/92/28/45/555922845.db2.gz KWYJANOWDKSMFL-DHLKQENFSA-N 2 1 494.602 4.492 50 0 JIAAMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[N@H+](C[C@@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000032809705 556499685 /nfs/dbraw/zinc/49/96/85/556499685.db2.gz HDTXPDBFIFFVNN-FQEVSTJZSA-N 2 1 469.699 4.103 50 0 JIAAMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[N@@H+](C[C@@H]5CCCO5)CC3)n2)CCC4)CC1 ZINC000032809705 556499689 /nfs/dbraw/zinc/49/96/89/556499689.db2.gz HDTXPDBFIFFVNN-FQEVSTJZSA-N 2 1 469.699 4.103 50 0 JIAAMP