smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=[NH2+])NC(=[NH2+])NC4(C)C)cc3Cl)cc2)c1 ZINC000001727765 561679324 /nfs/dbraw/zinc/67/93/24/561679324.db2.gz GYASQDFDPCWPPP-UHFFFAOYSA-N 2 2 528.034 4.181 1 0 KIAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000001727972 561679321 /nfs/dbraw/zinc/67/93/21/561679321.db2.gz GMDITTRZRYCNLY-UHFFFAOYSA-N 2 2 531.997 4.011 1 0 KIAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)c(Cl)c1 ZINC000001727973 561679468 /nfs/dbraw/zinc/67/94/68/561679468.db2.gz LECIZEZHIHHZGU-UHFFFAOYSA-N 2 2 531.997 4.011 1 0 KIAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3F)cc2)c(Cl)c1 ZINC000001727974 561679493 /nfs/dbraw/zinc/67/94/93/561679493.db2.gz YEXAVMOIILOVQZ-UHFFFAOYSA-N 2 2 531.997 4.011 1 0 KIAFLP COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]C3CC[NH+](Cc5ccccc5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005842091 561699307 /nfs/dbraw/zinc/69/93/07/561699307.db2.gz GQMFUALQPLOONU-CTZUUEIXSA-N 2 2 572.658 4.368 1 0 KIAFLP O=C(NCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438603 561712231 /nfs/dbraw/zinc/71/22/31/561712231.db2.gz RVFWCLJRIRUOIQ-SSEXGKCCSA-N 2 2 512.698 4.194 1 0 KIAFLP O=C(NCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438603 561712229 /nfs/dbraw/zinc/71/22/29/561712229.db2.gz RVFWCLJRIRUOIQ-SSEXGKCCSA-N 2 2 512.698 4.194 1 0 KIAFLP O=C(NCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438606 561712216 /nfs/dbraw/zinc/71/22/16/561712216.db2.gz RVFWCLJRIRUOIQ-PMERELPUSA-N 2 2 512.698 4.194 1 0 KIAFLP O=C(NCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438606 561712213 /nfs/dbraw/zinc/71/22/13/561712213.db2.gz RVFWCLJRIRUOIQ-PMERELPUSA-N 2 2 512.698 4.194 1 0 KIAFLP [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CC[NH+](CCCOc2ccc(C(=O)C3CC3)cc2)CC1 ZINC000013444817 561713057 /nfs/dbraw/zinc/71/30/57/561713057.db2.gz IYDTWLIGTRMAPG-SSEXGKCCSA-N 2 2 511.666 4.429 1 0 KIAFLP S=C(NCCCCN(Cc1ccc(Br)cc1)c1cccc[nH+]1)NCCCn1cc[nH+]c1 ZINC000013782010 561729643 /nfs/dbraw/zinc/72/96/43/561729643.db2.gz WRTYQXXLXRUQCR-UHFFFAOYSA-N 2 2 501.498 4.382 1 0 KIAFLP CCN(c1[nH+]cccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943523 561741861 /nfs/dbraw/zinc/74/18/61/561741861.db2.gz BWFUDYUEKKDPNU-UHFFFAOYSA-N 2 2 546.720 4.294 1 0 KIAFLP NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3c[nH+]c4cc(N)ccc43)cc2F)c1 ZINC000014950676 561745672 /nfs/dbraw/zinc/74/56/72/561745672.db2.gz SZCUDERAYZVADS-UHFFFAOYSA-N 2 2 522.466 4.488 1 0 KIAFLP Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCC[NH+]3CCOCC3)[nH+]c(C)n2)s1 ZINC000014952217 561746223 /nfs/dbraw/zinc/74/62/23/561746223.db2.gz CRHCQKSSAJEGRA-UHFFFAOYSA-N 2 2 502.044 4.333 1 0 KIAFLP CC(C)[N@H+]1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000014986453 561752812 /nfs/dbraw/zinc/75/28/12/561752812.db2.gz WORVRXHLXJLCDN-WNCULLNHSA-N 3 2 537.715 4.259 1 0 KIAFLP CC(C)[N@@H+]1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000014986453 561752810 /nfs/dbraw/zinc/75/28/10/561752810.db2.gz WORVRXHLXJLCDN-WNCULLNHSA-N 3 2 537.715 4.259 1 0 KIAFLP COc1cc(-c2nn(C3CCC([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)Nc1ccccc1 ZINC000022795075 581097436 /nfs/dbraw/zinc/09/74/36/581097436.db2.gz JWXOLXZYHPKDLX-UHFFFAOYSA-N 2 2 555.687 4.459 1 0 KIAFLP COc1cc(-c2nn(C3CCC([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccccc1 ZINC000022795088 581097381 /nfs/dbraw/zinc/09/73/81/581097381.db2.gz OKRHYXZXYNXSAO-UHFFFAOYSA-N 2 2 540.672 4.068 1 0 KIAFLP C[NH+]1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000022927749 561759955 /nfs/dbraw/zinc/75/99/55/561759955.db2.gz WTLKXSOKBFOIRJ-NDEPHWFRSA-N 2 2 515.529 4.376 1 0 KIAFLP C[NH+]1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000022927753 561759838 /nfs/dbraw/zinc/75/98/38/561759838.db2.gz WTLKXSOKBFOIRJ-MUUNZHRXSA-N 2 2 515.529 4.376 1 0 KIAFLP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927913 561760112 /nfs/dbraw/zinc/76/01/12/561760112.db2.gz WIPWYSHKEIYBJW-HFZDXXHNSA-N 2 2 503.518 4.419 1 0 KIAFLP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927918 561760022 /nfs/dbraw/zinc/76/00/22/561760022.db2.gz WIPWYSHKEIYBJW-QFQXNSOFSA-N 2 2 503.518 4.419 1 0 KIAFLP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927921 561760104 /nfs/dbraw/zinc/76/01/04/561760104.db2.gz WIPWYSHKEIYBJW-LVXARBLLSA-N 2 2 503.518 4.419 1 0 KIAFLP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927925 561760117 /nfs/dbraw/zinc/76/01/17/561760117.db2.gz WIPWYSHKEIYBJW-RLWLMLJZSA-N 2 2 503.518 4.419 1 0 KIAFLP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928063 561760066 /nfs/dbraw/zinc/76/00/66/561760066.db2.gz IUKVLQBINGIVDU-HFZDXXHNSA-N 2 2 520.615 4.270 1 0 KIAFLP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928068 561760208 /nfs/dbraw/zinc/76/02/08/561760208.db2.gz IUKVLQBINGIVDU-QFQXNSOFSA-N 2 2 520.615 4.270 1 0 KIAFLP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928071 561760269 /nfs/dbraw/zinc/76/02/69/561760269.db2.gz IUKVLQBINGIVDU-LVXARBLLSA-N 2 2 520.615 4.270 1 0 KIAFLP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928076 561760318 /nfs/dbraw/zinc/76/03/18/561760318.db2.gz IUKVLQBINGIVDU-RLWLMLJZSA-N 2 2 520.615 4.270 1 0 KIAFLP Clc1ccc([C@@]2(Cn3cc[nH+]c3)OC[C@@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933195 561760445 /nfs/dbraw/zinc/76/04/45/561760445.db2.gz OAVROFGVHVDBTQ-BVAGGSTKSA-N 2 2 501.458 4.319 1 0 KIAFLP Clc1ccc([C@]2(Cn3cc[nH+]c3)OC[C@@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933198 561760525 /nfs/dbraw/zinc/76/05/25/561760525.db2.gz OAVROFGVHVDBTQ-ZEQKJWHPSA-N 2 2 501.458 4.319 1 0 KIAFLP Clc1ccc([C@@]2(Cn3cc[nH+]c3)OC[C@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933202 561760400 /nfs/dbraw/zinc/76/04/00/561760400.db2.gz OAVROFGVHVDBTQ-OZXSUGGESA-N 2 2 501.458 4.319 1 0 KIAFLP Clc1ccc([C@]2(Cn3cc[nH+]c3)OC[C@H](CN3CC[NH+](CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933205 561760407 /nfs/dbraw/zinc/76/04/07/561760407.db2.gz OAVROFGVHVDBTQ-JYFHCDHNSA-N 2 2 501.458 4.319 1 0 KIAFLP CNC(=O)c1cc(Oc2ccc3[nH+]c(Nc4ccc(Cl)c(CN5CC[NH+](C)CC5)c4)[nH]c3c2)ccn1 ZINC000023359451 561762203 /nfs/dbraw/zinc/76/22/03/561762203.db2.gz IAEHNTOVVLQNQX-UHFFFAOYSA-N 2 2 506.010 4.254 1 0 KIAFLP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCOCC4)cc3)oc3nccc(NCCN4CC[NH2+]CC4)c32)cc1 ZINC000023359506 561762085 /nfs/dbraw/zinc/76/20/85/561762085.db2.gz WLKGPIPZNVLVAM-UHFFFAOYSA-N 2 2 527.669 4.190 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(CCCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026247618 561773613 /nfs/dbraw/zinc/77/36/13/561773613.db2.gz UHUOEEIBKSZATP-UHFFFAOYSA-N 2 2 609.215 4.489 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(CCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026247625 561773619 /nfs/dbraw/zinc/77/36/19/561773619.db2.gz WAKBHTAFKNUQIH-UHFFFAOYSA-N 2 2 595.188 4.099 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026255102 561774752 /nfs/dbraw/zinc/77/47/52/561774752.db2.gz OHVZDCSFRWEXIX-UHFFFAOYSA-N 2 2 639.241 4.498 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026260799 561775502 /nfs/dbraw/zinc/77/55/02/561775502.db2.gz BJRHEZVKWNFBJQ-UHFFFAOYSA-N 2 2 615.606 4.362 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026262175 561775842 /nfs/dbraw/zinc/77/58/42/561775842.db2.gz NFJIMCVKJFRLCU-UHFFFAOYSA-N 2 2 625.214 4.107 1 0 KIAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](CCO)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026721165 561815177 /nfs/dbraw/zinc/81/51/77/561815177.db2.gz CZQSONVHXQDMEG-UHFFFAOYSA-N 2 2 537.108 4.166 1 0 KIAFLP O=C(C[NH+]1CCCCC1)Nc1cc(CN2CC[NH+](CCO)CC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026721165 561815175 /nfs/dbraw/zinc/81/51/75/561815175.db2.gz CZQSONVHXQDMEG-UHFFFAOYSA-N 3 2 537.108 4.166 1 0 KIAFLP O=C(c1nccnc1C(=O)N(CCC[NH+]1CCOCC1)CCc1c[nH]c2ccccc12)N(CCC[NH+]1CCOCC1)CCc1c[nH]c2ccccc12 ZINC000026739176 561817700 /nfs/dbraw/zinc/81/77/00/561817700.db2.gz UPENVEOWPSJJOV-UHFFFAOYSA-N 2 2 706.892 4.254 1 0 KIAFLP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccncc1 ZINC000026998194 561833722 /nfs/dbraw/zinc/83/37/22/561833722.db2.gz YNIIFYQWNMHZBK-SJHFQCKASA-N 2 2 658.869 4.466 1 0 KIAFLP CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccncc1 ZINC000026998194 561833720 /nfs/dbraw/zinc/83/37/20/561833720.db2.gz YNIIFYQWNMHZBK-SJHFQCKASA-N 2 2 658.869 4.466 1 0 KIAFLP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccncc1 ZINC000026998199 561833655 /nfs/dbraw/zinc/83/36/55/561833655.db2.gz YNIIFYQWNMHZBK-FRJUPVQCSA-N 2 2 658.869 4.466 1 0 KIAFLP CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccncc1 ZINC000026998199 561833653 /nfs/dbraw/zinc/83/36/53/561833653.db2.gz YNIIFYQWNMHZBK-FRJUPVQCSA-N 2 2 658.869 4.466 1 0 KIAFLP [NH3+]C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000027107104 561840448 /nfs/dbraw/zinc/84/04/48/561840448.db2.gz OZFZEVAJUHXLRM-YRCZKMHPSA-N 2 2 705.926 4.002 1 0 KIAFLP [NH3+]C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000027107104 561840447 /nfs/dbraw/zinc/84/04/47/561840447.db2.gz OZFZEVAJUHXLRM-YRCZKMHPSA-N 2 2 705.926 4.002 1 0 KIAFLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CC[NH+](Cc5ccccc5)CC4)sc3cc2s1 ZINC000027108280 561840701 /nfs/dbraw/zinc/84/07/01/561840701.db2.gz VZFNDTKRQIFMHQ-UHFFFAOYSA-N 2 2 654.866 4.419 1 0 KIAFLP CCOC(=O)CN1CCC(Oc2c(F)c(Oc3cccc(C4=[NH+]CCN4C)c3)nc(Oc3cc(C(N)=[NH2+])ccc3O)c2F)CC1 ZINC000027182236 561842048 /nfs/dbraw/zinc/84/20/48/561842048.db2.gz VITCTALXBLQAIZ-UHFFFAOYSA-N 2 2 624.645 4.032 1 0 KIAFLP CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C[NH+]1CCN(c3cc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC1)O2 ZINC000027519140 561862899 /nfs/dbraw/zinc/86/28/99/561862899.db2.gz FNPGOESBQFZCTB-JGCGQSQUSA-N 2 2 562.759 4.433 1 0 KIAFLP CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C[NH+]1CCN(c3cc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC1)O2 ZINC000027519141 561862916 /nfs/dbraw/zinc/86/29/16/561862916.db2.gz FNPGOESBQFZCTB-YTTGMZPUSA-N 2 2 562.759 4.433 1 0 KIAFLP CCC(=O)CC[NH+]1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(N(C)CCCc3ccc(Cl)cc3)n2)CC1 ZINC000027628084 561873417 /nfs/dbraw/zinc/87/34/17/561873417.db2.gz TUVJIFINMSRIRU-UHFFFAOYSA-N 2 2 566.150 4.445 1 0 KIAFLP CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027634694 561874272 /nfs/dbraw/zinc/87/42/72/561874272.db2.gz JKBFYXSIBZYMCW-AREMUKBSSA-N 2 2 559.155 4.214 1 0 KIAFLP CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027634694 561874270 /nfs/dbraw/zinc/87/42/70/561874270.db2.gz JKBFYXSIBZYMCW-AREMUKBSSA-N 2 2 559.155 4.214 1 0 KIAFLP CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027634699 561874300 /nfs/dbraw/zinc/87/43/00/561874300.db2.gz JKBFYXSIBZYMCW-SANMLTNESA-N 2 2 559.155 4.214 1 0 KIAFLP CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000027634699 561874298 /nfs/dbraw/zinc/87/42/98/561874298.db2.gz JKBFYXSIBZYMCW-SANMLTNESA-N 2 2 559.155 4.214 1 0 KIAFLP CC(=[NH2+])N1CCC(N(C(=O)CCC(=O)[O-])c2ccc3[nH+]c(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028013037 561896679 /nfs/dbraw/zinc/89/66/79/561896679.db2.gz RFKOWMIZGSXCQX-UHFFFAOYSA-N 2 2 553.667 4.490 1 0 KIAFLP CC(=[NH2+])N1CCC(N(C(=O)CCC(=O)[O-])c2ccc3c(c2)[nH+]c(C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028086356 561899168 /nfs/dbraw/zinc/89/91/68/561899168.db2.gz JKWDWQBTVBGNBV-UHFFFAOYSA-N 2 2 553.667 4.490 1 0 KIAFLP C[N@H+]1CCC[C@H]1CC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028098178 561901130 /nfs/dbraw/zinc/90/11/30/561901130.db2.gz YZWIGOVHAHQNDZ-DEOSSOPVSA-N 2 2 645.459 4.302 1 0 KIAFLP C[N@@H+]1CCC[C@H]1CC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028098178 561901128 /nfs/dbraw/zinc/90/11/28/561901128.db2.gz YZWIGOVHAHQNDZ-DEOSSOPVSA-N 2 2 645.459 4.302 1 0 KIAFLP CC(C)CC[NH2+]CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232804 561909315 /nfs/dbraw/zinc/90/93/15/561909315.db2.gz WLIIIXJGJDXNEA-YDPTYEFTSA-N 2 2 654.897 4.415 1 0 KIAFLP CC(C)CC[NH2+]CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232804 561909314 /nfs/dbraw/zinc/90/93/14/561909314.db2.gz WLIIIXJGJDXNEA-YDPTYEFTSA-N 2 2 654.897 4.415 1 0 KIAFLP CC(C)CC[NH2+]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238171 561910084 /nfs/dbraw/zinc/91/00/84/561910084.db2.gz PACVOWSOSKLHLK-ORYMTKCHSA-N 2 2 640.870 4.025 1 0 KIAFLP CC(C)CC[NH2+]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238171 561910082 /nfs/dbraw/zinc/91/00/82/561910082.db2.gz PACVOWSOSKLHLK-ORYMTKCHSA-N 2 2 640.870 4.025 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]([NH3+])[C@@H]2CCc3ccccc32)CC1 ZINC000028346789 561915006 /nfs/dbraw/zinc/91/50/06/561915006.db2.gz LPXCUBHJKBBROC-XKWYWDKVSA-N 3 2 643.276 4.176 1 0 KIAFLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000028346836 561915081 /nfs/dbraw/zinc/91/50/81/561915081.db2.gz SCQCUIDAIVTNEN-QBKROCAJSA-N 3 2 643.276 4.005 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000028346849 561915067 /nfs/dbraw/zinc/91/50/67/561915067.db2.gz IQEGHBZHMJPPPE-HQYYERAXSA-N 3 2 643.276 4.396 1 0 KIAFLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000028346864 561915042 /nfs/dbraw/zinc/91/50/42/561915042.db2.gz IQEGHBZHMJPPPE-PWAPFLABSA-N 3 2 643.276 4.396 1 0 KIAFLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350588 561915503 /nfs/dbraw/zinc/91/55/03/561915503.db2.gz OTQHQYHEJTZPAP-DSXODZLMSA-N 2 2 588.196 4.361 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350598 561915510 /nfs/dbraw/zinc/91/55/10/561915510.db2.gz OTQHQYHEJTZPAP-FPHQXIGGSA-N 2 2 588.196 4.361 1 0 KIAFLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350607 561915525 /nfs/dbraw/zinc/91/55/25/561915525.db2.gz OTQHQYHEJTZPAP-JEVIFJNESA-N 2 2 588.196 4.361 1 0 KIAFLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000028350617 561915484 /nfs/dbraw/zinc/91/54/84/561915484.db2.gz OTQHQYHEJTZPAP-ZITMISKDSA-N 2 2 588.196 4.361 1 0 KIAFLP C[N@@H+](Cc1cccnc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028364300 561917367 /nfs/dbraw/zinc/91/73/67/561917367.db2.gz GJMUDCRPJZKNLL-KKLWWLSJSA-N 2 2 637.228 4.458 1 0 KIAFLP C[N@H+](Cc1cccnc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028364300 561917365 /nfs/dbraw/zinc/91/73/65/561917365.db2.gz GJMUDCRPJZKNLL-KKLWWLSJSA-N 2 2 637.228 4.458 1 0 KIAFLP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH+]2CCC([NH+]3CCCC3)CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028373422 561918712 /nfs/dbraw/zinc/91/87/12/561918712.db2.gz QVIOVFPHSRHZBE-LQFQNGICSA-N 3 2 669.314 4.491 1 0 KIAFLP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]Cc2ccco2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028381702 561920234 /nfs/dbraw/zinc/92/02/34/561920234.db2.gz JPVZHIOIJQFRBB-ROJLCIKYSA-N 2 2 612.174 4.313 1 0 KIAFLP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028382859 561920379 /nfs/dbraw/zinc/92/03/79/561920379.db2.gz YMSRZVAVBGVOIM-LVLVAWRASA-N 3 2 643.276 4.351 1 0 KIAFLP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028382866 561920382 /nfs/dbraw/zinc/92/03/82/561920382.db2.gz YMSRZVAVBGVOIM-KTEVUUGHSA-N 3 2 643.276 4.351 1 0 KIAFLP C[C@@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028382872 561920608 /nfs/dbraw/zinc/92/06/08/561920608.db2.gz YMSRZVAVBGVOIM-FHRHRKFDSA-N 3 2 643.276 4.351 1 0 KIAFLP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028382880 561920598 /nfs/dbraw/zinc/92/05/98/561920598.db2.gz YMSRZVAVBGVOIM-BECBZSEZSA-N 3 2 643.276 4.351 1 0 KIAFLP CC[NH+](CC)CCCNc1cc(Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)[nH+]cn1 ZINC000028392651 561922659 /nfs/dbraw/zinc/92/26/59/561922659.db2.gz VKSDOOMLUNEYPR-UHFFFAOYSA-N 2 2 518.666 4.156 1 0 KIAFLP CC[NH+](CC)CCCNc1cc(Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)nc[nH+]1 ZINC000028392651 561922658 /nfs/dbraw/zinc/92/26/58/561922658.db2.gz VKSDOOMLUNEYPR-UHFFFAOYSA-N 2 2 518.666 4.156 1 0 KIAFLP [NH3+]CC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028478267 561928797 /nfs/dbraw/zinc/92/87/97/561928797.db2.gz XAMLRWSYWBCOJG-AREMUKBSSA-N 3 2 560.595 4.195 1 0 KIAFLP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)CCCCC1 ZINC000028529146 561933759 /nfs/dbraw/zinc/93/37/59/561933759.db2.gz XHBDVORBTHPQNX-KKLWWLSJSA-N 2 2 656.271 4.288 1 0 KIAFLP [NH3+][C@@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc21 ZINC000028529317 561933958 /nfs/dbraw/zinc/93/39/58/561933958.db2.gz HNLIDHYYCOYCNX-XLWWBGEVSA-N 2 2 656.271 4.374 1 0 KIAFLP [NH3+][C@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc21 ZINC000028529320 561934035 /nfs/dbraw/zinc/93/40/35/561934035.db2.gz HNLIDHYYCOYCNX-VRLMBGIESA-N 2 2 656.271 4.374 1 0 KIAFLP [NH3+][C@@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529438 561934159 /nfs/dbraw/zinc/93/41/59/561934159.db2.gz XTBTZLRQUXZXSB-ZQWAWDFXSA-N 2 2 630.233 4.273 1 0 KIAFLP [NH3+][C@H](C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1)c1ccccc1 ZINC000028529441 561934213 /nfs/dbraw/zinc/93/42/13/561934213.db2.gz XTBTZLRQUXZXSB-VTIYRKAUSA-N 2 2 630.233 4.273 1 0 KIAFLP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3[NH2+]Cc4ccccc43)CC2)CCCCC1 ZINC000028529443 561934177 /nfs/dbraw/zinc/93/41/77/561934177.db2.gz USWMCOATFZQQQF-ZFEZZJPFSA-N 2 2 642.244 4.418 1 0 KIAFLP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3[NH2+]Cc4ccccc43)CC2)CCCCC1 ZINC000028529446 561934183 /nfs/dbraw/zinc/93/41/83/561934183.db2.gz USWMCOATFZQQQF-CWTKIQHKSA-N 2 2 642.244 4.418 1 0 KIAFLP O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)CCCCC1 ZINC000028529590 561934168 /nfs/dbraw/zinc/93/41/68/561934168.db2.gz XHBDVORBTHPQNX-SZAHLOSFSA-N 2 2 656.271 4.288 1 0 KIAFLP C[N@H+]1CCc2c(sc3ncn(CC[NH+]4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c32)C1 ZINC000028530016 561934460 /nfs/dbraw/zinc/93/44/60/561934460.db2.gz MKZCDYQNWTXAOV-UHFFFAOYSA-N 2 2 501.656 4.060 1 0 KIAFLP C[N@@H+]1CCc2c(sc3ncn(CC[NH+]4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c32)C1 ZINC000028530016 561934458 /nfs/dbraw/zinc/93/44/58/561934458.db2.gz MKZCDYQNWTXAOV-UHFFFAOYSA-N 2 2 501.656 4.060 1 0 KIAFLP COc1cc(-c2nn(C3CC[NH2+]CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028565014 561935837 /nfs/dbraw/zinc/93/58/37/561935837.db2.gz FJLCUIPBRCOHAL-UHFFFAOYSA-N 2 2 529.498 4.419 1 0 KIAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(C)cc1 ZINC000028565018 561935848 /nfs/dbraw/zinc/93/58/48/561935848.db2.gz IIGKHCOMPQGVTL-UHFFFAOYSA-N 2 2 541.656 4.461 1 0 KIAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1ccc(N(C)C)cc1 ZINC000028565034 561935951 /nfs/dbraw/zinc/93/59/51/561935951.db2.gz VUQWPTAESZCLIC-UHFFFAOYSA-N 2 2 570.698 4.218 1 0 KIAFLP COc1cc(-c2nn(C3CC[NH+](C4CCN(C(C)=O)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028565083 561935960 /nfs/dbraw/zinc/93/59/60/561935960.db2.gz QFNDMWXKSLDXLR-UHFFFAOYSA-N 2 2 621.746 4.476 1 0 KIAFLP COc1cc(-c2nn(C3CC[NH+](C4CCOCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)c1nc2ccccc2n1C ZINC000028565301 561935984 /nfs/dbraw/zinc/93/59/84/561935984.db2.gz KHBDGONPDISQDA-UHFFFAOYSA-N 2 2 581.681 4.039 1 0 KIAFLP COc1ccc(C(=O)NCCC[NH+]2CCN(CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1OC ZINC000028714015 561954425 /nfs/dbraw/zinc/95/44/25/561954425.db2.gz JBZBEDKQYDQVSS-UHFFFAOYSA-N 2 2 526.081 4.145 1 0 KIAFLP COc1ccc(C(=O)NCCCN2CC[NH+](CCCNc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1OC ZINC000028714015 561954424 /nfs/dbraw/zinc/95/44/24/561954424.db2.gz JBZBEDKQYDQVSS-UHFFFAOYSA-N 2 2 526.081 4.145 1 0 KIAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1 ZINC000028714019 561954471 /nfs/dbraw/zinc/95/44/71/561954471.db2.gz CRCWBRGSXOGSHA-UHFFFAOYSA-N 2 2 502.009 4.406 1 0 KIAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(F)c(F)c1 ZINC000028714019 561954470 /nfs/dbraw/zinc/95/44/70/561954470.db2.gz CRCWBRGSXOGSHA-UHFFFAOYSA-N 2 2 502.009 4.406 1 0 KIAFLP O=C(NCCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(F)cc(F)c1 ZINC000028714026 561954372 /nfs/dbraw/zinc/95/43/72/561954372.db2.gz WZJINVMZXRYPBX-UHFFFAOYSA-N 2 2 502.009 4.406 1 0 KIAFLP O=C(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1cc(F)cc(F)c1 ZINC000028714026 561954370 /nfs/dbraw/zinc/95/43/70/561954370.db2.gz WZJINVMZXRYPBX-UHFFFAOYSA-N 2 2 502.009 4.406 1 0 KIAFLP CCC[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC(=O)n1c(=O)ccc2c1C[C@@H]1C=C(C)C[C@]23[NH2+]CCC[C@H]13 ZINC000028714054 561954668 /nfs/dbraw/zinc/95/46/68/561954668.db2.gz UUCPUSGTHPKCOR-TVIXVDBLSA-N 2 2 651.852 4.262 1 0 KIAFLP CCC[N@H+](CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC(=O)n1c(=O)ccc2c1C[C@@H]1C=C(C)C[C@]23[NH2+]CCC[C@H]13 ZINC000028714054 561954665 /nfs/dbraw/zinc/95/46/65/561954665.db2.gz UUCPUSGTHPKCOR-TVIXVDBLSA-N 2 2 651.852 4.262 1 0 KIAFLP CC[C@@H]1CCC[C@H](COC(=O)N2CCC([N@@H+](C)C3CC[NH+](C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816484 561964225 /nfs/dbraw/zinc/96/42/25/561964225.db2.gz WNLCBJQKFPOUQX-RCZVLFRGSA-N 2 2 555.185 4.289 1 0 KIAFLP CC[C@@H]1CCC[C@H](COC(=O)N2CCC([N@H+](C)C3CC[NH+](C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816484 561964224 /nfs/dbraw/zinc/96/42/24/561964224.db2.gz WNLCBJQKFPOUQX-RCZVLFRGSA-N 2 2 555.185 4.289 1 0 KIAFLP OC1CC[NH+](CC2(O)CC[NH+](Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000028822126 561966647 /nfs/dbraw/zinc/96/66/47/561966647.db2.gz HATILNDJUSATOS-UHFFFAOYSA-N 2 2 523.899 4.465 1 0 KIAFLP CN1CC[NH+](CC2(O)CC[NH+](Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000028822128 561966567 /nfs/dbraw/zinc/96/65/67/561966567.db2.gz IXZZXWDPIMSXSX-UHFFFAOYSA-N 2 2 522.915 4.256 1 0 KIAFLP COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@H+](Cc2ccc(-n4cc[nH+]c4)cc2)CC3)c1 ZINC000028823811 561968475 /nfs/dbraw/zinc/96/84/75/561968475.db2.gz RTBDTTRVAZNIGB-UHFFFAOYSA-N 2 2 555.585 4.078 1 0 KIAFLP COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@@H+](Cc2ccc(-n4cc[nH+]c4)cc2)CC3)c1 ZINC000028823811 561968473 /nfs/dbraw/zinc/96/84/73/561968473.db2.gz RTBDTTRVAZNIGB-UHFFFAOYSA-N 2 2 555.585 4.078 1 0 KIAFLP CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)c2cc(Cl)ccc2C2CC[NH+](CCN3C(=O)COc4ccccc43)CC2)CC1 ZINC000028826540 561971371 /nfs/dbraw/zinc/97/13/71/561971371.db2.gz XRDCOVSGDBZMPB-UHFFFAOYSA-N 2 2 626.198 4.228 1 0 KIAFLP CC(C)C[C@@H](NC(=O)C[NH3+])c1ccc[nH+]c1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826801 561971395 /nfs/dbraw/zinc/97/13/95/561971395.db2.gz CHXZDXXFVJJJFD-FDDCHVKYSA-N 2 2 520.505 4.078 1 0 KIAFLP CC(C)C[C@@H](NC(=O)C[NH3+])c1ccc[nH+]c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826802 561971407 /nfs/dbraw/zinc/97/14/07/561971407.db2.gz CHXZDXXFVJJJFD-WZONZLPQSA-N 2 2 520.505 4.078 1 0 KIAFLP CC(C)C[C@H](NC(=O)C[NH3+])c1ccc[nH+]c1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826804 561971362 /nfs/dbraw/zinc/97/13/62/561971362.db2.gz CHXZDXXFVJJJFD-MBSDFSHPSA-N 2 2 520.505 4.078 1 0 KIAFLP CC(C)C[C@H](NC(=O)C[NH3+])c1ccc[nH+]c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826805 561971388 /nfs/dbraw/zinc/97/13/88/561971388.db2.gz CHXZDXXFVJJJFD-JPYJTQIMSA-N 2 2 520.505 4.078 1 0 KIAFLP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4c[nH+]c[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982535 /nfs/dbraw/zinc/98/25/35/561982535.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 3 2 527.157 4.124 1 0 KIAFLP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4c[nH+]c[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982534 /nfs/dbraw/zinc/98/25/34/561982534.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 3 2 527.157 4.124 1 0 KIAFLP C[NH+](C)CC[NH2+]C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2 ZINC000029127587 562000101 /nfs/dbraw/zinc/00/01/01/562000101.db2.gz ZVTZAKGVPOGXRU-HKBQPEDESA-N 2 2 565.759 4.481 1 0 KIAFLP Cc1cccc(NCc2ccc3[nH+]c(NC4CC[NH+](CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134293 562004106 /nfs/dbraw/zinc/00/41/06/562004106.db2.gz NOJNULSFUCPSJN-UHFFFAOYSA-N 2 2 500.647 4.283 1 0 KIAFLP Cc1ccc(O)c(Cn2c3cc(CNc4ccccc4CCCO)ccc3[nH+]c2NCCC[NH+]2CCOCC2)n1 ZINC000029134515 562004114 /nfs/dbraw/zinc/00/41/14/562004114.db2.gz RFXPDFHTFPGLRA-UHFFFAOYSA-N 2 2 544.700 4.165 1 0 KIAFLP Cc1cc(C)cc(N(CCO)Cc2ccc3[nH+]c(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134690 562004241 /nfs/dbraw/zinc/00/42/41/562004241.db2.gz GMRRTLYAFOKKLM-UHFFFAOYSA-N 2 2 558.727 4.244 1 0 KIAFLP CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211171 562005765 /nfs/dbraw/zinc/00/57/65/562005765.db2.gz AFMMJJGNRQFDRG-WZONZLPQSA-N 2 2 504.075 4.384 1 0 KIAFLP CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211176 562005773 /nfs/dbraw/zinc/00/57/73/562005773.db2.gz AFMMJJGNRQFDRG-FDDCHVKYSA-N 2 2 504.075 4.384 1 0 KIAFLP CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211181 562005787 /nfs/dbraw/zinc/00/57/87/562005787.db2.gz AFMMJJGNRQFDRG-JPYJTQIMSA-N 2 2 504.075 4.384 1 0 KIAFLP CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211186 562005802 /nfs/dbraw/zinc/00/58/02/562005802.db2.gz AFMMJJGNRQFDRG-MBSDFSHPSA-N 2 2 504.075 4.384 1 0 KIAFLP O=C(CCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCNCC[NH2+]CC1 ZINC000029399927 562019466 /nfs/dbraw/zinc/01/94/66/562019466.db2.gz ZBUHQKIJCFEZNS-UHFFFAOYSA-N 3 2 677.681 4.437 1 0 KIAFLP NC(=[NH2+])NCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403551 562020282 /nfs/dbraw/zinc/02/02/82/562020282.db2.gz AWNNIIMNTPSXSF-UHFFFAOYSA-N 3 2 565.509 4.118 1 0 KIAFLP CCOC(=O)C1=C(COCC[NH+]2CCC([NH+](C)C)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029404168 562020339 /nfs/dbraw/zinc/02/03/39/562020339.db2.gz ZISRRLICKQODIH-VSOXTEDDSA-N 2 2 520.070 4.174 1 0 KIAFLP CCOC(=O)C1=C(COCC[NH+]2CCC([NH+](C)C)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029404171 562020342 /nfs/dbraw/zinc/02/03/42/562020342.db2.gz ZISRRLICKQODIH-IWEPOMFFSA-N 2 2 520.070 4.174 1 0 KIAFLP NC1=[NH+]C2(CCCCC2)N=C(Nc2ccc(CCc3ccc(NC4=NC5(CCCCC5)[NH+]=C(N)N4)cc3)cc2)N1 ZINC000029468095 562024962 /nfs/dbraw/zinc/02/49/62/562024962.db2.gz ONWXXKVSFTVYDX-UHFFFAOYSA-N 2 2 540.720 4.164 1 0 KIAFLP NC(=O)COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029565857 562034289 /nfs/dbraw/zinc/03/42/89/562034289.db2.gz KTZXZGKURYLMOS-UHFFFAOYSA-N 2 2 501.606 4.207 1 0 KIAFLP c1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1ccc(C2=[NH+]CCN2)cc1 ZINC000031970350 562036736 /nfs/dbraw/zinc/03/67/36/562036736.db2.gz UMFQSYZPPBNDFC-UHFFFAOYSA-N 3 2 512.621 4.033 1 0 KIAFLP [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4F)CC3)cc2)n1 ZINC000034804043 562042922 /nfs/dbraw/zinc/04/29/22/562042922.db2.gz XQGVJTLGUGOPAJ-PMERELPUSA-N 2 2 642.732 4.364 1 0 KIAFLP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[NH+]5CCOCC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000035874340 562045657 /nfs/dbraw/zinc/04/56/57/562045657.db2.gz RXCCIZPAGIKKKR-QHCPKHFHSA-N 2 2 516.661 4.049 1 0 KIAFLP C[NH+]1CCN(c2ccccc2C(=O)NN2c3ccc(Cl)cc3N=C(N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000036089378 562046927 /nfs/dbraw/zinc/04/69/27/562046927.db2.gz VHZXTKPBCSXANE-UHFFFAOYSA-N 2 2 544.103 4.214 1 0 KIAFLP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184573 562050195 /nfs/dbraw/zinc/05/01/95/562050195.db2.gz GXAPJIXXSLQQBJ-ZTVFFDQVSA-N 2 2 559.538 4.192 1 0 KIAFLP CC(C)(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+]2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184577 562050202 /nfs/dbraw/zinc/05/02/02/562050202.db2.gz YTBYOWZWBDYLQF-MHGRFWDASA-N 2 2 577.528 4.331 1 0 KIAFLP C[NH+]1CCC(Cc2ccccc2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285232 562053855 /nfs/dbraw/zinc/05/38/55/562053855.db2.gz OKIXSPZFVJCSDW-CZNDPXEESA-N 3 2 614.234 4.453 1 0 KIAFLP C[NH+]1CCC(Cc2ccccc2)([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000036285238 562053892 /nfs/dbraw/zinc/05/38/92/562053892.db2.gz OKIXSPZFVJCSDW-JHOUSYSJSA-N 3 2 614.234 4.453 1 0 KIAFLP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285243 562053867 /nfs/dbraw/zinc/05/38/67/562053867.db2.gz LWBXLZBGWUEHNG-LOYHVIPDSA-N 3 2 580.217 4.257 1 0 KIAFLP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036285249 562053907 /nfs/dbraw/zinc/05/39/07/562053907.db2.gz LWBXLZBGWUEHNG-XZWHSSHBSA-N 3 2 580.217 4.257 1 0 KIAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(CO)c4)C[C@@H]3C2)CC1 ZINC000036351704 562058999 /nfs/dbraw/zinc/05/89/99/562058999.db2.gz RKGAKQIZJDEHFX-QFWOEDSFSA-N 2 2 509.645 4.288 1 0 KIAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[N@H+]5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000036351808 562059383 /nfs/dbraw/zinc/05/93/83/562059383.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 3 2 578.752 4.362 1 0 KIAFLP C[NH+]1CCN(CCCN(c2[nH]c3cc(F)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C[N@@H+]5CC[C@H](O)C5)c4)C[C@@H]3C2)CC1 ZINC000036351808 562059381 /nfs/dbraw/zinc/05/93/81/562059381.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 3 2 578.752 4.362 1 0 KIAFLP COc1c(F)ccc2ncc(Cl)c(CC[NH+]3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c21 ZINC000036415486 562060642 /nfs/dbraw/zinc/06/06/42/562060642.db2.gz ILIBCDWJBLBPEZ-UHFFFAOYSA-N 2 2 516.042 4.272 1 0 KIAFLP C[NH+](C)CCNC(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000040405253 562075004 /nfs/dbraw/zinc/07/50/04/562075004.db2.gz MGMZYTQUJVLCAB-UHFFFAOYSA-N 3 2 509.054 4.348 1 0 KIAFLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000040422766 562075956 /nfs/dbraw/zinc/07/59/56/562075956.db2.gz LJRNJVSEEYBUEX-UHFFFAOYSA-N 2 2 521.065 4.444 1 0 KIAFLP C[NH+]1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000040422766 562075955 /nfs/dbraw/zinc/07/59/55/562075955.db2.gz LJRNJVSEEYBUEX-UHFFFAOYSA-N 3 2 521.065 4.444 1 0 KIAFLP C[C@H]1CCC[NH+](CC(=O)Nc2nc3cc4nc(NC(=O)C[N@@H+]5CCC[C@H](C)C5)sc4cc3s2)C1 ZINC000040487246 562077501 /nfs/dbraw/zinc/07/75/01/562077501.db2.gz GHCPSDMAOZHXOZ-HOTGVXAUSA-N 2 2 500.694 4.247 1 0 KIAFLP C[C@H]1CCC[NH+](CC(=O)Nc2nc3cc4nc(NC(=O)C[N@H+]5CCC[C@H](C)C5)sc4cc3s2)C1 ZINC000040487246 562077498 /nfs/dbraw/zinc/07/74/98/562077498.db2.gz GHCPSDMAOZHXOZ-HOTGVXAUSA-N 2 2 500.694 4.247 1 0 KIAFLP Clc1ccc2c(NCC[NH+]3CCN(c4nc(N5CCCCC5)[nH+]c(N5CCCCC5)n4)CC3)cc[nH+]c2c1 ZINC000040846133 562080295 /nfs/dbraw/zinc/08/02/95/562080295.db2.gz YZEIHQUEBIRFTB-UHFFFAOYSA-N 3 2 536.128 4.288 1 0 KIAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]CCN2CCOCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000040849152 562080704 /nfs/dbraw/zinc/08/07/04/562080704.db2.gz FXXPMAGDASAAAG-UHFFFAOYSA-N 3 2 537.108 4.478 1 0 KIAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4cccc5[nH]c(=O)c(=O)[nH]c45)CC3)[nH+]2)cc1 ZINC000040862846 562080896 /nfs/dbraw/zinc/08/08/96/562080896.db2.gz CLQLJTQBIWNDOX-UHFFFAOYSA-N 2 2 508.626 4.379 1 0 KIAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5[nH]c(=O)c(=O)[nH]c5c4)CC3)[nH+]2)cc1 ZINC000040863973 562081075 /nfs/dbraw/zinc/08/10/75/562081075.db2.gz IFRHRAPSJRMCTF-UHFFFAOYSA-N 2 2 508.626 4.379 1 0 KIAFLP O=C(Cc1[nH+]ccn1Cc1ccccc1)N1CCCc2cc(CC[NH2+]C[C@H](O)COc3ccccc3)ccc21 ZINC000040876754 562082156 /nfs/dbraw/zinc/08/21/56/562082156.db2.gz YMGPFSYBGCDOLQ-NDEPHWFRSA-N 2 2 524.665 4.025 1 0 KIAFLP O=C(Cc1[nH+]ccn1Cc1ccc(Cl)cc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000040878785 562082459 /nfs/dbraw/zinc/08/24/59/562082459.db2.gz PRRQGANLUANRHQ-SANMLTNESA-N 2 2 519.045 4.338 1 0 KIAFLP CCCN(C(=O)Cc1[nH+]ccn1Cc1ccccc1)c1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000040879266 562082441 /nfs/dbraw/zinc/08/24/41/562082441.db2.gz ZVKJNELSVJBCTP-LJAQVGFWSA-N 2 2 526.681 4.489 1 0 KIAFLP Cn1c2cc(C[NH+]3CCN(c4cccc5[nH+]c(-c6ccc(C(C)(C)C)cc6)[nH]c54)CC3)ccc2[nH]c(=O)c1=O ZINC000040900495 562083418 /nfs/dbraw/zinc/08/34/18/562083418.db2.gz WNLQUIYBVROEKG-UHFFFAOYSA-N 2 2 522.653 4.390 1 0 KIAFLP COCCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](C)CC1 ZINC000040935093 562084985 /nfs/dbraw/zinc/08/49/85/562084985.db2.gz UBBOYTZYPGUBTI-UHFFFAOYSA-N 2 2 504.418 4.161 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000042806569 562089701 /nfs/dbraw/zinc/08/97/01/562089701.db2.gz CZSKONNGFVGGGW-UHFFFAOYSA-N 2 2 639.241 4.496 1 0 KIAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000044281207 562653061 /nfs/dbraw/zinc/65/30/61/562653061.db2.gz CFXKJUJWAZDAGL-UHFFFAOYSA-N 2 2 625.214 4.107 1 0 KIAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCCC[NH+]3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000044306451 562653760 /nfs/dbraw/zinc/65/37/60/562653760.db2.gz FPWKKWDHVZSTBB-UHFFFAOYSA-N 2 2 639.241 4.498 1 0 KIAFLP CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306776 562653865 /nfs/dbraw/zinc/65/38/65/562653865.db2.gz OTUDEOHGWREBHB-HHHXNRCGSA-N 2 2 637.225 4.250 1 0 KIAFLP CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306782 562653856 /nfs/dbraw/zinc/65/38/56/562653856.db2.gz OTUDEOHGWREBHB-MHZLTWQESA-N 2 2 637.225 4.250 1 0 KIAFLP CCOc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CC[NH+](CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000044351487 562654671 /nfs/dbraw/zinc/65/46/71/562654671.db2.gz WUABEZUVNYJZHI-UHFFFAOYSA-N 2 2 639.241 4.498 1 0 KIAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351641 562654792 /nfs/dbraw/zinc/65/47/92/562654792.db2.gz VUQADCUHTFESAZ-HHHXNRCGSA-N 2 2 637.225 4.248 1 0 KIAFLP CC(C)Oc1ccccc1N1CC[NH+](CCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351643 562654758 /nfs/dbraw/zinc/65/47/58/562654758.db2.gz VUQADCUHTFESAZ-MHZLTWQESA-N 2 2 637.225 4.248 1 0 KIAFLP COc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358316 562655303 /nfs/dbraw/zinc/65/53/03/562655303.db2.gz YUBKGGQNHRNCBQ-HHHXNRCGSA-N 2 2 637.225 4.250 1 0 KIAFLP COc1ccccc1N1CC[NH+](CCCCCCn2ncc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358326 562655307 /nfs/dbraw/zinc/65/53/07/562655307.db2.gz YUBKGGQNHRNCBQ-MHZLTWQESA-N 2 2 637.225 4.250 1 0 KIAFLP Cc1ccccc1Nc1nc(N2CCOCC2)nc(N2CC[NH+](CCNc3cc[nH+]c4cc(Cl)ccc34)CC2)n1 ZINC000044361801 562655758 /nfs/dbraw/zinc/65/57/58/562655758.db2.gz CKNPIWMYBCCYQX-UHFFFAOYSA-N 2 2 560.106 4.196 1 0 KIAFLP Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CC[NH+](CCNc4cc[nH+]c5cc(Cl)ccc45)CC3)n2)cc1 ZINC000044362043 562655787 /nfs/dbraw/zinc/65/57/87/562655787.db2.gz MPUDAUOZKYFNAX-UHFFFAOYSA-N 2 2 560.106 4.196 1 0 KIAFLP O=C(Cc1[nH+]ccn1Cc1ccc(Br)cc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000044405439 562656661 /nfs/dbraw/zinc/65/66/61/562656661.db2.gz WQVVILMKQWJJNF-SANMLTNESA-N 2 2 563.496 4.447 1 0 KIAFLP O=C(C[NH+]1CCCCC1)Nc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(C(=O)NCCN2CCOCC2)c1 ZINC000044417954 562657254 /nfs/dbraw/zinc/65/72/54/562657254.db2.gz AJQPACFJCOHFMZ-UHFFFAOYSA-N 2 2 551.091 4.118 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044430977 562657708 /nfs/dbraw/zinc/65/77/08/562657708.db2.gz GHFPSKUEUUDFIE-BVYCBKJFSA-N 2 2 545.433 4.499 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000044430981 562657718 /nfs/dbraw/zinc/65/77/18/562657718.db2.gz GHFPSKUEUUDFIE-STZQEDGTSA-N 2 2 545.433 4.499 1 0 KIAFLP Cc1cc(C[NH+]2CCCN(c3ccc4c(c3)CC[N@H+](Cc3ccc(-c5[nH]cc[nH+]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657987 /nfs/dbraw/zinc/65/79/87/562657987.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 3 2 509.702 4.432 1 0 KIAFLP Cc1cc(C[NH+]2CCCN(c3ccc4c(c3)CC[N@@H+](Cc3ccc(-c5[nH]cc[nH+]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657986 /nfs/dbraw/zinc/65/79/86/562657986.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 3 2 509.702 4.432 1 0 KIAFLP Cc1cc(C[N@H+]2CCCN(c3ccc4c(c3)CC[NH+](Cc3ccc(-c5[nH]cc[nH+]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657985 /nfs/dbraw/zinc/65/79/85/562657985.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 3 2 509.702 4.432 1 0 KIAFLP Cc1cc(C[N@@H+]2CCCN(c3ccc4c(c3)CC[NH+](Cc3ccc(-c5[nH]cc[nH+]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657984 /nfs/dbraw/zinc/65/79/84/562657984.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 3 2 509.702 4.432 1 0 KIAFLP COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CC[NH+]4CCC(CC[NH+](C)C)CC4)c3)nc2)cn1 ZINC000045190362 562658519 /nfs/dbraw/zinc/65/85/19/562658519.db2.gz OROCBRWBUSDYRO-UHFFFAOYSA-N 2 2 523.703 4.333 1 0 KIAFLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045202191 562659091 /nfs/dbraw/zinc/65/90/91/562659091.db2.gz DKVVKVZUMPRTKN-UHFFFAOYSA-N 2 2 511.667 4.464 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000045245233 562659744 /nfs/dbraw/zinc/65/97/44/562659744.db2.gz LXEFMJMGOVUZJS-DWACAAAGSA-N 2 2 524.629 4.250 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000045245234 562659725 /nfs/dbraw/zinc/65/97/25/562659725.db2.gz LXEFMJMGOVUZJS-RBISFHTESA-N 2 2 524.629 4.250 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000045245235 562659775 /nfs/dbraw/zinc/65/97/75/562659775.db2.gz LXEFMJMGOVUZJS-DFHRPNOPSA-N 2 2 524.629 4.250 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000045245236 562659742 /nfs/dbraw/zinc/65/97/42/562659742.db2.gz LXEFMJMGOVUZJS-SKCUWOTOSA-N 2 2 524.629 4.250 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCn1cc[nH+]c1 ZINC000045253759 562659822 /nfs/dbraw/zinc/65/98/22/562659822.db2.gz RWAFVRRIJKQZIU-MHZLTWQESA-N 2 2 521.585 4.005 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCn1cc[nH+]c1 ZINC000045253761 562659855 /nfs/dbraw/zinc/65/98/55/562659855.db2.gz RWAFVRRIJKQZIU-HHHXNRCGSA-N 2 2 521.585 4.005 1 0 KIAFLP COc1cc(CCNc2nc(NCc3ccccc3-c3ccccc3)[nH+]c(N3CCC([NH3+])CC3)n2)ccc1O ZINC000045301338 562660479 /nfs/dbraw/zinc/66/04/79/562660479.db2.gz NITYCNXILBBPFH-UHFFFAOYSA-N 2 2 525.657 4.447 1 0 KIAFLP COc1cc(CCNc2nc(NCc3ccccc3-c3ccccc3)nc(N3CCC([NH3+])CC3)[nH+]2)ccc1O ZINC000045301338 562660478 /nfs/dbraw/zinc/66/04/78/562660478.db2.gz NITYCNXILBBPFH-UHFFFAOYSA-N 2 2 525.657 4.447 1 0 KIAFLP COc1cc(CCNc2nc(N3CCC([NH3+])CC3)nc(NCc3ccccc3-c3ccccc3)[nH+]2)ccc1O ZINC000045301338 562660477 /nfs/dbraw/zinc/66/04/77/562660477.db2.gz NITYCNXILBBPFH-UHFFFAOYSA-N 2 2 525.657 4.447 1 0 KIAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC[NH+]3CCN(c4ccccc4C(F)(F)F)CC3)s2)CC1 ZINC000045302262 562660577 /nfs/dbraw/zinc/66/05/77/562660577.db2.gz GFAUXMULVMLNMF-UHFFFAOYSA-N 3 2 537.696 4.235 1 0 KIAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCCN3CCN(c4ccccc4C(F)(F)F)CC3)s2)CC1 ZINC000045302262 562660576 /nfs/dbraw/zinc/66/05/76/562660576.db2.gz GFAUXMULVMLNMF-UHFFFAOYSA-N 2 2 537.696 4.235 1 0 KIAFLP COc1cc(F)c2ncc(Cl)c(CC[NH+]3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000045302390 562660695 /nfs/dbraw/zinc/66/06/95/562660695.db2.gz JNJUJKVXGMCTRH-UHFFFAOYSA-N 2 2 516.042 4.272 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1CCC[NH2+]C1 ZINC000045318569 562660933 /nfs/dbraw/zinc/66/09/33/562660933.db2.gz IZUJRRQQMYQCBU-NGOKVRLYSA-N 2 2 524.629 4.108 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1CCC[NH2+]C1 ZINC000045318573 562660943 /nfs/dbraw/zinc/66/09/43/562660943.db2.gz IZUJRRQQMYQCBU-PIIWDFAUSA-N 2 2 524.629 4.108 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@H]1CCC[NH2+]C1 ZINC000045318577 562660954 /nfs/dbraw/zinc/66/09/54/562660954.db2.gz IZUJRRQQMYQCBU-MMTVBGGISA-N 2 2 524.629 4.108 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@H]1CCC[NH2+]C1 ZINC000045318581 562660936 /nfs/dbraw/zinc/66/09/36/562660936.db2.gz IZUJRRQQMYQCBU-WTYVLRPYSA-N 2 2 524.629 4.108 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCC1CC[NH2+]CC1 ZINC000045320263 562660977 /nfs/dbraw/zinc/66/09/77/562660977.db2.gz HKJCXQLAQCWDCR-NDEPHWFRSA-N 2 2 524.629 4.108 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCC1CC[NH2+]CC1 ZINC000045320267 562660986 /nfs/dbraw/zinc/66/09/86/562660986.db2.gz HKJCXQLAQCWDCR-MUUNZHRXSA-N 2 2 524.629 4.108 1 0 KIAFLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCCN3CCN(c4cccc(Cl)c4Cl)CC3)o2)CC1 ZINC000045322587 562661127 /nfs/dbraw/zinc/66/11/27/562661127.db2.gz CHWIJLBUBORVIS-UHFFFAOYSA-N 2 2 522.521 4.055 1 0 KIAFLP Cc1cc(OCCC[N@H+]2CC[C@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2[nH+]1 ZINC000045334898 562661342 /nfs/dbraw/zinc/66/13/42/562661342.db2.gz HGDYZVWVPQXSHR-IBGZPJMESA-N 2 2 504.450 4.127 1 0 KIAFLP Cc1cc(OCCC[N@@H+]2CC[C@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2[nH+]1 ZINC000045334898 562661341 /nfs/dbraw/zinc/66/13/41/562661341.db2.gz HGDYZVWVPQXSHR-IBGZPJMESA-N 2 2 504.450 4.127 1 0 KIAFLP Cc1cc(OCCC[N@H+]2CC[C@@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2[nH+]1 ZINC000045334900 562661315 /nfs/dbraw/zinc/66/13/15/562661315.db2.gz HGDYZVWVPQXSHR-LJQANCHMSA-N 2 2 504.450 4.127 1 0 KIAFLP Cc1cc(OCCC[N@@H+]2CC[C@@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2[nH+]1 ZINC000045334900 562661314 /nfs/dbraw/zinc/66/13/14/562661314.db2.gz HGDYZVWVPQXSHR-LJQANCHMSA-N 2 2 504.450 4.127 1 0 KIAFLP Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCCN(CCc2cccc(F)c2)C(=O)OCc2ccccc2)c1 ZINC000045349393 562661633 /nfs/dbraw/zinc/66/16/33/562661633.db2.gz AMGDBQDOQXQKMM-SQHAQQRYSA-N 2 2 506.622 4.140 1 0 KIAFLP COc1ccc2ncc(F)c(CC[NH+]3CCC([NH2+]Cc4cc(Br)c5c(c4)OCCO5)CC3)c2n1 ZINC000048307345 562663032 /nfs/dbraw/zinc/66/30/32/562663032.db2.gz DAOPVCJFGRMFRI-UHFFFAOYSA-N 2 2 531.426 4.108 1 0 KIAFLP C[NH2+]CC[NH2+]Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2c(OC)ccc3ccccc32)c1 ZINC000049033973 562663449 /nfs/dbraw/zinc/66/34/49/562663449.db2.gz FRELWJNLIPWVFB-UHFFFAOYSA-N 2 2 511.548 4.292 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000049046398 562663672 /nfs/dbraw/zinc/66/36/72/562663672.db2.gz JYRKGTLBBJHVGA-HMNRDNJPSA-N 2 2 504.675 4.076 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000049046398 562663671 /nfs/dbraw/zinc/66/36/71/562663671.db2.gz JYRKGTLBBJHVGA-HMNRDNJPSA-N 2 2 504.675 4.076 1 0 KIAFLP C[NH2+]CC[NH2+]Cc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC(F)(F)F)c1 ZINC000049109689 562664528 /nfs/dbraw/zinc/66/45/28/562664528.db2.gz CGHYVYWFJZTCTO-UHFFFAOYSA-N 2 2 515.458 4.029 1 0 KIAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049625912 562666895 /nfs/dbraw/zinc/66/68/95/562666895.db2.gz HBOMFIPWJMRXJO-IBGZPJMESA-N 2 2 556.332 4.044 1 0 KIAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049625912 562666894 /nfs/dbraw/zinc/66/68/94/562666894.db2.gz HBOMFIPWJMRXJO-IBGZPJMESA-N 2 2 556.332 4.044 1 0 KIAFLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)[nH+]1)C(=O)NCc1ccccc1 ZINC000049694662 562669574 /nfs/dbraw/zinc/66/95/74/562669574.db2.gz CKWRJIRFPNVYKK-AQFXCFNKSA-N 2 2 564.734 4.273 1 0 KIAFLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH+]c(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049694662 562669573 /nfs/dbraw/zinc/66/95/73/562669573.db2.gz CKWRJIRFPNVYKK-AQFXCFNKSA-N 2 2 564.734 4.273 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCC1CC[NH2+]CC1 ZINC000049710324 562671649 /nfs/dbraw/zinc/67/16/49/562671649.db2.gz JLLZADRFOWOBPP-LJAQVGFWSA-N 2 2 538.656 4.498 1 0 KIAFLP CCC1=C2C(=[NH+]c3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCC1CC[NH2+]CC1 ZINC000049710327 562671633 /nfs/dbraw/zinc/67/16/33/562671633.db2.gz JLLZADRFOWOBPP-GDLZYMKVSA-N 2 2 538.656 4.498 1 0 KIAFLP OC(CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000049723344 562673256 /nfs/dbraw/zinc/67/32/56/562673256.db2.gz PXJJZMXPCFDEQN-UHFFFAOYSA-N 3 2 551.522 4.395 1 0 KIAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]C[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)CC3)c2c1 ZINC000049744947 562673620 /nfs/dbraw/zinc/67/36/20/562673620.db2.gz GPLHDHOTVGWKKN-OUTSHDOLSA-N 2 2 534.701 4.467 1 0 KIAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762363 562676539 /nfs/dbraw/zinc/67/65/39/562676539.db2.gz MKCGPASFXDHNRR-UHFFFAOYSA-N 2 2 564.756 4.478 1 0 KIAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762363 562676538 /nfs/dbraw/zinc/67/65/38/562676538.db2.gz MKCGPASFXDHNRR-UHFFFAOYSA-N 2 2 564.756 4.478 1 0 KIAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762837 562676737 /nfs/dbraw/zinc/67/67/37/562676737.db2.gz NQOJKHOPNJCSSZ-UHFFFAOYSA-N 2 2 564.756 4.478 1 0 KIAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762837 562676736 /nfs/dbraw/zinc/67/67/36/562676736.db2.gz NQOJKHOPNJCSSZ-UHFFFAOYSA-N 2 2 564.756 4.478 1 0 KIAFLP C[N@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762840 562676698 /nfs/dbraw/zinc/67/66/98/562676698.db2.gz TWBSOPHBKGTCSD-UHFFFAOYSA-N 2 2 550.729 4.088 1 0 KIAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCOCC(=O)NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049762840 562676697 /nfs/dbraw/zinc/67/66/97/562676697.db2.gz TWBSOPHBKGTCSD-UHFFFAOYSA-N 2 2 550.729 4.088 1 0 KIAFLP C[NH2+]CC[NH2+]Cc1cc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC)cc(C(F)(F)F)c1 ZINC000049775055 562678899 /nfs/dbraw/zinc/67/88/99/562678899.db2.gz UQRTWHYVLZPZCE-UHFFFAOYSA-N 2 2 529.485 4.158 1 0 KIAFLP Cc1ccc(NC(=O)c2cc(CN3CC[NH+](C)CC3)n(C(C)(C)C)n2)cc1Nc1[nH+]c2ccccc2n1-c1cc(N)ncn1 ZINC000049775141 562678916 /nfs/dbraw/zinc/67/89/16/562678916.db2.gz PPCDZYRDXIKRDW-UHFFFAOYSA-N 2 2 593.740 4.401 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4[nH+]ccn43)CC2)C1 ZINC000049777929 562680687 /nfs/dbraw/zinc/68/06/87/562680687.db2.gz SKBUEWJIXHHCOK-GYUKIKGESA-N 2 2 543.712 4.329 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4[nH+]ccn43)CC2)C1 ZINC000049777929 562680686 /nfs/dbraw/zinc/68/06/86/562680686.db2.gz SKBUEWJIXHHCOK-GYUKIKGESA-N 2 2 543.712 4.329 1 0 KIAFLP NC(=[NH2+])Nc1nc(-c2cccc(NCCCCCCCCON3C(=[NH2+])NC(N)=[NH+]C34CCCCC4)c2)cs1 ZINC000049780504 562681796 /nfs/dbraw/zinc/68/17/96/562681796.db2.gz IVFUTIWNXXIFTN-UHFFFAOYSA-N 3 2 540.742 4.405 1 0 KIAFLP C[C@H](O)CNc1nc(-n2ccnc2-c2cccc(NC(=O)c3cc(N4CC[NH+](C)CC4)cc(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000049786042 562684230 /nfs/dbraw/zinc/68/42/30/562684230.db2.gz DKFAHLYMYSORAF-IBGZPJMESA-N 2 2 580.615 4.145 1 0 KIAFLP O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH2+]CCNCCC[NH2+]CC[NH2+]CCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049844760 562688583 /nfs/dbraw/zinc/68/85/83/562688583.db2.gz SOUGBXUQRKWGMK-UHFFFAOYSA-N 3 2 662.835 4.194 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000049867259 562689396 /nfs/dbraw/zinc/68/93/96/562689396.db2.gz CJGANXISTMOLNK-BHIFYINESA-N 2 2 544.540 4.211 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000049867263 562689407 /nfs/dbraw/zinc/68/94/07/562689407.db2.gz CJGANXISTMOLNK-YPAWHYETSA-N 2 2 544.540 4.211 1 0 KIAFLP [NH3+]CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049898508 562692599 /nfs/dbraw/zinc/69/25/99/562692599.db2.gz QLDNHZWVHCUXEY-CHQNGUEUSA-N 2 2 679.778 4.003 1 0 KIAFLP [NH3+]CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049898508 562692598 /nfs/dbraw/zinc/69/25/98/562692598.db2.gz QLDNHZWVHCUXEY-CHQNGUEUSA-N 2 2 679.778 4.003 1 0 KIAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4ccsc4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917656 562693710 /nfs/dbraw/zinc/69/37/10/562693710.db2.gz IVFQOPBAGUEYGL-CQTOTRCISA-N 2 2 615.800 4.491 1 0 KIAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4ccsc4)[NH+]4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917658 562693713 /nfs/dbraw/zinc/69/37/13/562693713.db2.gz IVFQOPBAGUEYGL-WEZIJMHWSA-N 2 2 615.800 4.491 1 0 KIAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4ccsc4)[NH+]4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918018 562694343 /nfs/dbraw/zinc/69/43/43/562694343.db2.gz PKSBJDPVLRNNHF-AJQTZOPKSA-N 2 2 585.774 4.482 1 0 KIAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4ccsc4)[NH+]4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918019 562694310 /nfs/dbraw/zinc/69/43/10/562694310.db2.gz PKSBJDPVLRNNHF-ACHIHNKUSA-N 2 2 585.774 4.482 1 0 KIAFLP CCOc1ccccc1OCC[NH+]1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000053275889 562697028 /nfs/dbraw/zinc/69/70/28/562697028.db2.gz KBWJALZVQKHVAK-UHFFFAOYSA-N 2 2 639.241 4.496 1 0 KIAFLP COc1ccccc1OCC[NH+]1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000053275890 562697004 /nfs/dbraw/zinc/69/70/04/562697004.db2.gz NVWZPUBECKHMAB-UHFFFAOYSA-N 2 2 625.214 4.106 1 0 KIAFLP CC(C)N(C[C@@H]([NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000058498956 562698254 /nfs/dbraw/zinc/69/82/54/562698254.db2.gz LEBMPCXJMQSILA-BFLUCZKCSA-N 2 2 570.791 4.008 1 0 KIAFLP CC(C)N(C[C@@H]([NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000058498956 562698253 /nfs/dbraw/zinc/69/82/53/562698253.db2.gz LEBMPCXJMQSILA-BFLUCZKCSA-N 2 2 570.791 4.008 1 0 KIAFLP COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2NC(=O)Nc2ccccc2OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000058538225 562698844 /nfs/dbraw/zinc/69/88/44/562698844.db2.gz GIROKLPOXJKNQU-MEKGRNQZSA-N 2 2 740.902 4.472 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000058543516 562699037 /nfs/dbraw/zinc/69/90/37/562699037.db2.gz CJGANXISTMOLNK-FSSWDIPSSA-N 2 2 544.540 4.211 1 0 KIAFLP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000058638944 562701223 /nfs/dbraw/zinc/70/12/23/562701223.db2.gz YTBYOWZWBDYLQF-BYHVZLFPSA-N 2 2 577.528 4.331 1 0 in-vitro KIAFLP CC(=O)N1CC[NH+](C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c3nc[nH+]c4N)CC2)CC1 ZINC000063298062 562704452 /nfs/dbraw/zinc/70/44/52/562704452.db2.gz GXJSLIOOPZRPEV-UHFFFAOYSA-N 2 2 591.720 4.467 1 0 KIAFLP CC(C)N(C[C@H]([NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000064261565 562704650 /nfs/dbraw/zinc/70/46/50/562704650.db2.gz LEBMPCXJMQSILA-GSLIJJQTSA-N 2 2 570.791 4.008 1 0 KIAFLP CC(C)N(C[C@H]([NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000064261565 562704649 /nfs/dbraw/zinc/70/46/49/562704649.db2.gz LEBMPCXJMQSILA-GSLIJJQTSA-N 2 2 570.791 4.008 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3cccc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064513514 562706444 /nfs/dbraw/zinc/70/64/44/562706444.db2.gz LLEJRCRDMYBLEH-RMTZWNOUSA-N 2 2 529.651 4.387 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3cccc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064513514 562706443 /nfs/dbraw/zinc/70/64/43/562706443.db2.gz LLEJRCRDMYBLEH-RMTZWNOUSA-N 2 2 529.651 4.387 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3cccc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064513516 562706427 /nfs/dbraw/zinc/70/64/27/562706427.db2.gz LLEJRCRDMYBLEH-GSLIJJQTSA-N 2 2 529.651 4.387 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3cccc(F)c3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064513516 562706426 /nfs/dbraw/zinc/70/64/26/562706426.db2.gz LLEJRCRDMYBLEH-GSLIJJQTSA-N 2 2 529.651 4.387 1 0 KIAFLP Cc1cc(C2(c3cc(C)c(OC[C@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000064527612 562707020 /nfs/dbraw/zinc/70/70/20/562707020.db2.gz GSSOIDGIRRZGHR-CZNDPXEESA-N 2 2 610.836 4.314 1 0 KIAFLP Cc1cc(C2(c3cc(C)c(OC[C@@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000064527614 562707055 /nfs/dbraw/zinc/70/70/55/562707055.db2.gz GSSOIDGIRRZGHR-CZFRINIUSA-N 2 2 610.836 4.314 1 0 KIAFLP Cc1cc(C2(c3cc(C)c(OC[C@@H](O)C[NH+]4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000064527615 562707107 /nfs/dbraw/zinc/70/71/07/562707107.db2.gz GSSOIDGIRRZGHR-LQJZCPKCSA-N 2 2 610.836 4.314 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064746241 562709091 /nfs/dbraw/zinc/70/90/91/562709091.db2.gz IDSHXLDGGWIGBW-NXCFDTQHSA-N 2 2 511.661 4.248 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064746241 562709090 /nfs/dbraw/zinc/70/90/90/562709090.db2.gz IDSHXLDGGWIGBW-NXCFDTQHSA-N 2 2 511.661 4.248 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064746243 562709139 /nfs/dbraw/zinc/70/91/39/562709139.db2.gz IDSHXLDGGWIGBW-UODIDJSMSA-N 2 2 511.661 4.248 1 0 KIAFLP Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CC[NH+](CC(F)F)CC3)C[C@@H]2C1 ZINC000064746243 562709138 /nfs/dbraw/zinc/70/91/38/562709138.db2.gz IDSHXLDGGWIGBW-UODIDJSMSA-N 2 2 511.661 4.248 1 0 KIAFLP C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066065934 562709220 /nfs/dbraw/zinc/70/92/20/562709220.db2.gz OGJKCDKDZJMBOT-XMCDHTSPSA-N 2 2 534.697 4.133 1 0 KIAFLP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066065934 562709219 /nfs/dbraw/zinc/70/92/19/562709219.db2.gz OGJKCDKDZJMBOT-XMCDHTSPSA-N 2 2 534.697 4.133 1 0 KIAFLP C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066074563 562709840 /nfs/dbraw/zinc/70/98/40/562709840.db2.gz OGJKCDKDZJMBOT-MINMQMFNSA-N 2 2 534.697 4.133 1 0 KIAFLP C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@H]([NH2+]CC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066074563 562709839 /nfs/dbraw/zinc/70/98/39/562709839.db2.gz OGJKCDKDZJMBOT-MINMQMFNSA-N 2 2 534.697 4.133 1 0 KIAFLP C[N@H+]1CCC[C@@H]1CC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973937 562715652 /nfs/dbraw/zinc/71/56/52/562715652.db2.gz YZWIGOVHAHQNDZ-XMMPIXPASA-N 2 2 645.459 4.302 1 0 KIAFLP C[N@@H+]1CCC[C@@H]1CC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973937 562715651 /nfs/dbraw/zinc/71/56/51/562715651.db2.gz YZWIGOVHAHQNDZ-XMMPIXPASA-N 2 2 645.459 4.302 1 0 KIAFLP C[C@@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH+]c(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315988 562717778 /nfs/dbraw/zinc/71/77/78/562717778.db2.gz KZWFJJHHDKUIBN-QFIPXVFZSA-N 2 2 628.243 4.005 1 0 KIAFLP C[C@H](C[NH+](C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3[nH+]c(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315989 562717816 /nfs/dbraw/zinc/71/78/16/562717816.db2.gz KZWFJJHHDKUIBN-JOCHJYFZSA-N 2 2 628.243 4.005 1 0 KIAFLP CCN(Cc1ccncc1Br)C(=O)C[NH+]1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000071318928 562718674 /nfs/dbraw/zinc/71/86/74/562718674.db2.gz MLTPNRWKWZEDMK-UHFFFAOYSA-N 2 2 572.939 4.113 1 0 KIAFLP COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2NC(=O)Nc2ccccc2OC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000072120583 562724124 /nfs/dbraw/zinc/72/41/24/562724124.db2.gz GIROKLPOXJKNQU-ROJLCIKYSA-N 2 2 740.902 4.472 1 0 KIAFLP COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2NC(=O)Nc2ccccc2OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000072120584 562724116 /nfs/dbraw/zinc/72/41/16/562724116.db2.gz GIROKLPOXJKNQU-ACHIHNKUSA-N 2 2 740.902 4.472 1 0 KIAFLP O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(CCC[NH+]1CCOCC1)Cc1c(Cl)cncc1Cl ZINC000072131721 562726809 /nfs/dbraw/zinc/72/68/09/562726809.db2.gz AHWHUDJTTAKVFD-UHFFFAOYSA-N 2 2 662.066 4.360 1 0 KIAFLP C[NH+]1CCN(C[C@@H](O)COc2ccc(C3(c4ccc(OC[C@@H](O)CN5CC[NH+](C)CC5)c(Br)c4)CCCCC3)cc2Br)CC1 ZINC000072147708 562729831 /nfs/dbraw/zinc/72/98/31/562729831.db2.gz HYFZANSGRZGNRC-ISILISOKSA-N 2 2 738.606 4.436 1 0 KIAFLP C[NH+]1CCN(C[C@@H](O)COc2ccc(C3(c4ccc(OC[C@H](O)CN5CC[NH+](C)CC5)c(Br)c4)CCCCC3)cc2Br)CC1 ZINC000072147709 562729810 /nfs/dbraw/zinc/72/98/10/562729810.db2.gz HYFZANSGRZGNRC-FQLXRVMXSA-N 2 2 738.606 4.436 1 0 KIAFLP C[NH+]1CCN(C[C@H](O)COc2ccc(C3(c4ccc(OC[C@@H](O)CN5CC[NH+](C)CC5)c(Br)c4)CCCCC3)cc2Br)CC1 ZINC000072147710 562729827 /nfs/dbraw/zinc/72/98/27/562729827.db2.gz HYFZANSGRZGNRC-VMPREFPWSA-N 2 2 738.606 4.436 1 0 KIAFLP C[C@H](Oc1cc(-c2cnn(CC(=O)NCCC[NH+](C)C)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180401 562732506 /nfs/dbraw/zinc/73/25/06/562732506.db2.gz SVTVYRAZHFXLAP-AWEZNQCLSA-N 2 2 509.413 4.181 1 0 KIAFLP C[C@@H](Oc1cc(-c2cnn(CC(=O)NCCC[NH+](C)C)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000072180402 562732497 /nfs/dbraw/zinc/73/24/97/562732497.db2.gz SVTVYRAZHFXLAP-CQSZACIVSA-N 2 2 509.413 4.181 1 0 KIAFLP O[C@H](C[NH2+]C([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181852 562732803 /nfs/dbraw/zinc/73/28/03/562732803.db2.gz MBVHXSHTANVMDR-SPYBWZPUSA-N 3 2 504.519 4.263 1 0 KIAFLP O[C@@H](C[NH2+]C([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181853 562732806 /nfs/dbraw/zinc/73/28/06/562732806.db2.gz MBVHXSHTANVMDR-CLCXKQKWSA-N 3 2 504.519 4.263 1 0 KIAFLP COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1c(Cn1cc[nH+]c1)ccc2F ZINC000073139915 562733543 /nfs/dbraw/zinc/73/35/43/562733543.db2.gz AJMOXIHRFKBMKQ-GOXGLGGOSA-N 2 2 595.666 4.328 1 0 KIAFLP CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)[NH+]2CCN(Cc3[nH]c[nH+]c3C)CC2)c1 ZINC000073164535 562734336 /nfs/dbraw/zinc/73/43/36/562734336.db2.gz ZLMMTVJZWSOPAL-HHHXNRCGSA-N 2 2 518.662 4.286 1 0 KIAFLP CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)[NH+]2CCN(Cc3c[nH]c(C)[nH+]3)CC2)c1 ZINC000073164538 562734308 /nfs/dbraw/zinc/73/43/08/562734308.db2.gz VPSNPANVSANEOB-HHHXNRCGSA-N 2 2 518.662 4.286 1 0 KIAFLP CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)[NH+]2CCN(Cc3c[nH+]c(C)[nH]3)CC2)c1 ZINC000073164538 562734307 /nfs/dbraw/zinc/73/43/07/562734307.db2.gz VPSNPANVSANEOB-HHHXNRCGSA-N 2 2 518.662 4.286 1 0 KIAFLP C[NH+]1CCN(CCC[N@H+]2CCC3(N4CC[NH+](C)CC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197986 562735532 /nfs/dbraw/zinc/73/55/32/562735532.db2.gz UHWGNJCOPKVATP-KEANYWJXSA-N 3 2 515.790 4.046 1 0 KIAFLP C[NH+]1CCN(CCC[N@@H+]2CCC3(N4CC[NH+](C)CC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197986 562735531 /nfs/dbraw/zinc/73/55/31/562735531.db2.gz UHWGNJCOPKVATP-KEANYWJXSA-N 3 2 515.790 4.046 1 0 KIAFLP O=C(OCc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(C[NH2+]C3CC3)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198723 562735804 /nfs/dbraw/zinc/73/58/04/562735804.db2.gz SHKHDPGITHQNRY-SSEXGKCCSA-N 2 2 587.120 4.445 1 0 KIAFLP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073199222 562735965 /nfs/dbraw/zinc/73/59/65/562735965.db2.gz YQADQTFSMLQAIZ-GDLZYMKVSA-N 2 2 575.109 4.303 1 0 KIAFLP C[NH+](C)CCCNc1nc(N2CCc3[nH]c4ccccc4c3C2)[nH+]c(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000073200089 562736120 /nfs/dbraw/zinc/73/61/20/562736120.db2.gz FUTWINOOAAMVAG-UHFFFAOYSA-N 2 2 521.673 4.323 1 0 KIAFLP C[NH+](C)CCCNc1nc(N2CCc3[nH]c4ccccc4c3C2)nc(N2CCc3[nH]c4ccccc4c3C2)[nH+]1 ZINC000073200089 562736118 /nfs/dbraw/zinc/73/61/18/562736118.db2.gz FUTWINOOAAMVAG-UHFFFAOYSA-N 2 2 521.673 4.323 1 0 KIAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000073275584 562737250 /nfs/dbraw/zinc/73/72/50/562737250.db2.gz KIBDJJXRHBWQSZ-HKBQPEDESA-N 2 2 567.796 4.378 1 0 KIAFLP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000073275587 562737280 /nfs/dbraw/zinc/73/72/80/562737280.db2.gz KIBDJJXRHBWQSZ-WJOKGBTCSA-N 2 2 567.796 4.378 1 0 KIAFLP COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cn1 ZINC000082140798 562739585 /nfs/dbraw/zinc/73/95/85/562739585.db2.gz GNHSWZSHPHNEKP-GDLZYMKVSA-N 2 2 687.188 4.018 1 0 KIAFLP O=C(OCc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(CC[NH2+]C3CC3)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000082153262 562740165 /nfs/dbraw/zinc/74/01/65/562740165.db2.gz HVFMZOOARRZMCF-WJOKGBTCSA-N 2 2 601.147 4.488 1 0 KIAFLP O=C(OCc1ccc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2cc(C[NH2+]CCF)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000082155116 562740461 /nfs/dbraw/zinc/74/04/61/562740461.db2.gz NCJYOIUAEHNMSP-GDLZYMKVSA-N 2 2 593.099 4.252 1 0 KIAFLP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000082155124 562740463 /nfs/dbraw/zinc/74/04/63/562740463.db2.gz RLJVDPYFKKDXBZ-SSEXGKCCSA-N 2 2 589.136 4.345 1 0 KIAFLP C[N@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCC[NH+]3CCOCC3)c(c2)C1 ZINC000082156827 562740736 /nfs/dbraw/zinc/74/07/36/562740736.db2.gz VKNAJXFNUPMHHE-NSCUHMNNSA-N 2 2 501.631 4.369 1 0 KIAFLP C[N@@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCC[NH+]3CCOCC3)c(c2)C1 ZINC000082156827 562740735 /nfs/dbraw/zinc/74/07/35/562740735.db2.gz VKNAJXFNUPMHHE-NSCUHMNNSA-N 2 2 501.631 4.369 1 0 KIAFLP CN1CC[NH+](CCOc2ccc3cc2C[N@H+](C)C/C=C/CCOc2cccc(c2)-c2ccnc(n2)N3)CC1 ZINC000082156829 562740766 /nfs/dbraw/zinc/74/07/66/562740766.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 2 2 514.674 4.284 1 0 KIAFLP CN1CC[NH+](CCOc2ccc3cc2C[N@@H+](C)C/C=C/CCOc2cccc(c2)-c2ccnc(n2)N3)CC1 ZINC000082156829 562740765 /nfs/dbraw/zinc/74/07/65/562740765.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 2 2 514.674 4.284 1 0 KIAFLP C[N@@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CC[NH+](C)CC3)c(c2)C1 ZINC000082156829 562740764 /nfs/dbraw/zinc/74/07/64/562740764.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 2 2 514.674 4.284 1 0 KIAFLP C[N@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CC[NH+](C)CC3)c(c2)C1 ZINC000082156829 562740763 /nfs/dbraw/zinc/74/07/63/562740763.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 2 2 514.674 4.284 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]([NH3+])[C@@H]2CCc3ccccc32)CC1 ZINC000084598221 562743964 /nfs/dbraw/zinc/74/39/64/562743964.db2.gz LPXCUBHJKBBROC-XFGMUACXSA-N 3 2 643.276 4.176 1 0 KIAFLP O=C(Cc1c[nH+]c[nH]1)N1CC[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745928 /nfs/dbraw/zinc/74/59/28/562745928.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 2 2 513.573 4.235 1 0 KIAFLP O=C(Cc1c[nH+]c[nH]1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745927 /nfs/dbraw/zinc/74/59/27/562745927.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 2 2 513.573 4.235 1 0 KIAFLP O=C(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000084634980 562746065 /nfs/dbraw/zinc/74/60/65/562746065.db2.gz IDZOADSETDAIJB-HSZRJFAPSA-N 2 2 588.561 4.227 1 0 KIAFLP O=C(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000084634984 562746042 /nfs/dbraw/zinc/74/60/42/562746042.db2.gz IDZOADSETDAIJB-QHCPKHFHSA-N 2 2 588.561 4.227 1 0 KIAFLP COc1cc2c(cc1-c1c(C)noc1C)[nH+]cc(C(N)=O)c2Nc1ccccc1CC[NH+]1CCOCC1 ZINC000084635918 562746300 /nfs/dbraw/zinc/74/63/00/562746300.db2.gz ZMSXXNUUWMPXGF-UHFFFAOYSA-N 2 2 501.587 4.232 1 0 KIAFLP Cc1[nH]c2ccc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[nH+]1 ZINC000084707465 562750150 /nfs/dbraw/zinc/75/01/50/562750150.db2.gz UWIDYEIOJDREEC-JGCGQSQUSA-N 2 2 626.806 4.481 1 0 KIAFLP Cc1[nH]c2cc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC([NH+]4CCCCC4)CC3)ccc2[nH+]1 ZINC000084707465 562750149 /nfs/dbraw/zinc/75/01/49/562750149.db2.gz UWIDYEIOJDREEC-JGCGQSQUSA-N 2 2 626.806 4.481 1 0 KIAFLP C[NH2+]CO[C@@H]1Cc2c(cc(OC)c3c2[C@@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-3)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000085568177 291836770 /nfs/dbraw/zinc/83/67/70/291836770.db2.gz DCMXFUQVOKAEOI-BPSNQUDBSA-O 2 2 558.655 4.366 1 0 biogenic,in-vitro KIAFLP C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)[nH+]cc2CC(=O)N2CC(C[NH2+]C)C2)Cc2cc3cc(C4(CCO)CCCC4)c(=O)oc3cc2O1 ZINC000085594625 565151924 /nfs/dbraw/zinc/15/19/24/565151924.db2.gz ZXXPHDJEYWBFEY-MUVHRXEGSA-N 2 2 686.850 4.389 1 0 biogenic,in-vitro KIAFLP C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595212 565152655 /nfs/dbraw/zinc/15/26/55/565152655.db2.gz VCGDXXSRDSXIQB-SSDUYVFGSA-N 2 2 615.683 4.135 1 0 biogenic,in-vitro KIAFLP C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595212 565152653 /nfs/dbraw/zinc/15/26/53/565152653.db2.gz VCGDXXSRDSXIQB-SSDUYVFGSA-N 2 2 615.683 4.135 1 0 biogenic,in-vitro KIAFLP C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595219 565152757 /nfs/dbraw/zinc/15/27/57/565152757.db2.gz HGVOOIVHGAZKGL-SSDUYVFGSA-N 2 2 615.683 4.135 1 0 biogenic,in-vitro KIAFLP C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595219 565152754 /nfs/dbraw/zinc/15/27/54/565152754.db2.gz HGVOOIVHGAZKGL-SSDUYVFGSA-N 2 2 615.683 4.135 1 0 biogenic,in-vitro KIAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](CCCO)c3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595229 565152816 /nfs/dbraw/zinc/15/28/16/565152816.db2.gz ZLXHNUZKEGJNDL-PSUFGOHRSA-N 2 2 644.725 4.054 1 0 biogenic,in-vitro KIAFLP C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](CCCO)c3cc[nH+]c(N)c3)c2O[C@@]1(C)CCc1ccc(N)[nH+]c1 ZINC000085595229 565152811 /nfs/dbraw/zinc/15/28/11/565152811.db2.gz ZLXHNUZKEGJNDL-PSUFGOHRSA-N 2 2 644.725 4.054 1 0 biogenic,in-vitro KIAFLP C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595252 565152905 /nfs/dbraw/zinc/15/29/05/565152905.db2.gz JNGZFDWUCBPYMJ-DYHRWLNRSA-N 2 2 629.710 4.229 1 0 biogenic,in-vitro KIAFLP C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595252 565152901 /nfs/dbraw/zinc/15/29/01/565152901.db2.gz JNGZFDWUCBPYMJ-DYHRWLNRSA-N 2 2 629.710 4.229 1 0 biogenic,in-vitro KIAFLP C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595260 565152850 /nfs/dbraw/zinc/15/28/50/565152850.db2.gz XQIXVWCVEZLBII-DYHRWLNRSA-N 2 2 629.710 4.229 1 0 biogenic,in-vitro KIAFLP C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3cc[nH+]c(N)c3)c2OC1(C)C ZINC000085595260 565152848 /nfs/dbraw/zinc/15/28/48/565152848.db2.gz XQIXVWCVEZLBII-DYHRWLNRSA-N 2 2 629.710 4.229 1 0 biogenic,in-vitro KIAFLP CNC(=[NH2+])N[C@@](CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1)(CCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC000085626973 565160337 /nfs/dbraw/zinc/16/03/37/565160337.db2.gz CLRYECHVUDCREQ-UMSFTDKQSA-O 2 2 604.772 4.482 1 0 biogenic,in-vitro KIAFLP CNC(=[NH2+])N[C@@](CCCC(O)=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)(CCn1cc[nH+]c1)Cc1ccc(O)cc1 ZINC000085626973 565160329 /nfs/dbraw/zinc/16/03/29/565160329.db2.gz CLRYECHVUDCREQ-UMSFTDKQSA-O 2 2 604.772 4.482 1 0 biogenic,in-vitro KIAFLP [NH2+]=C(N[C@H](CCCC(O)=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1)NC1CCCC1 ZINC000085627010 560068941 /nfs/dbraw/zinc/06/89/41/560068941.db2.gz PYGZNOXKBBWNLE-RUZDIDTESA-O 2 2 552.740 4.476 1 0 biogenic,in-vitro KIAFLP [NH2+]=C(N[C@H](CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1cc[nH+]c1)NC1CCCC1 ZINC000085627010 560068939 /nfs/dbraw/zinc/06/89/39/560068939.db2.gz PYGZNOXKBBWNLE-RUZDIDTESA-O 2 2 552.740 4.476 1 0 biogenic,in-vitro KIAFLP C[NH2+]C[C@H]1CCC[C@H](CCCC(=O)[C@H](O)C(=O)CCc2cc(OC)c(O)c([C@@H]3c4cc[nH+]c(N)c4C=C[C@@]3(CO)Cc3ccc[nH]3)c2)C1 ZINC000085631361 565163689 /nfs/dbraw/zinc/16/36/89/565163689.db2.gz HEXCFGSJCRWRBJ-ACTWAUODSA-N 2 2 657.832 4.500 1 0 biogenic,in-vitro KIAFLP COCOc1ccc(C(OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)cc1 ZINC000095535718 562753789 /nfs/dbraw/zinc/75/37/89/562753789.db2.gz XABOEOVFRCSVNR-LQFQNGICSA-N 2 2 780.912 4.431 1 0 KIAFLP Nc1[nH]c2c3[nH]c(N)[nH+]c3c3c(c2[nH+]1)[C@H](CNC(=O)c1cc(Br)c(Br)[nH]1)[C@H]3CNC(=O)c1cc(Br)c(Br)[nH]1 ZINC000095538514 562754844 /nfs/dbraw/zinc/75/48/44/562754844.db2.gz ISLJSGNSELMNBP-PHDIDXHHSA-N 2 2 774.070 4.351 1 0 KIAFLP Nc1[nH]cc([C@H](CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH+]c(N)[nH]c2CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095539804 562755285 /nfs/dbraw/zinc/75/52/85/562755285.db2.gz MXRBWEXRDANRHZ-VIFPVBQESA-N 2 2 780.118 4.318 1 0 KIAFLP O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539989 562755449 /nfs/dbraw/zinc/75/54/49/562755449.db2.gz JXZAFCOUVYXIBI-KKYULSIISA-N 2 2 704.916 4.194 1 0 KIAFLP O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2C[NH+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539989 562755448 /nfs/dbraw/zinc/75/54/48/562755448.db2.gz JXZAFCOUVYXIBI-KKYULSIISA-N 2 2 704.916 4.194 1 0 KIAFLP COc1ccc([C@H](OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543409 562757243 /nfs/dbraw/zinc/75/72/43/562757243.db2.gz RWKJSPDLOSRJHE-VEFCPFGPSA-N 2 2 766.885 4.266 1 0 KIAFLP COc1ccc([C@@H](OC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543410 562757216 /nfs/dbraw/zinc/75/72/16/562757216.db2.gz RWKJSPDLOSRJHE-KTTQJHDCSA-N 2 2 766.885 4.266 1 0 KIAFLP COCOc1ccc(C(OC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COC(c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)c2ccc(OCOC)cc2)cc1 ZINC000095543527 562757328 /nfs/dbraw/zinc/75/73/28/562757328.db2.gz XABOEOVFRCSVNR-ZPGRZCPFSA-N 2 2 780.912 4.431 1 0 KIAFLP O=C1N(Cc2ccccc2)[C@H](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCC[NH+]3CCOCC3)cc2)N1Cc1ccccc1 ZINC000095543719 562757413 /nfs/dbraw/zinc/75/74/13/562757413.db2.gz NYLOITRMEKTBDX-QHQGJXSCSA-N 2 2 764.964 4.491 1 0 KIAFLP C[NH+]1CCN(C(=O)/C(=C/c2ccccc2OCCOc2ccccc2/C=C(\NC(=O)c2ccccc2)C(=O)N2CC[NH+](C)CC2)NC(=O)c2ccccc2)CC1 ZINC000095544849 562757939 /nfs/dbraw/zinc/75/79/39/562757939.db2.gz KNVFTSCRWLUPOP-ZNUUIMKISA-N 2 2 756.904 4.234 1 0 KIAFLP COc1ccc(CNc2nc(NC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000095548009 562759052 /nfs/dbraw/zinc/75/90/52/562759052.db2.gz SXQUOWPJGOXGMJ-UVCGIMRYSA-N 2 2 806.966 4.332 1 0 KIAFLP COc1ccc(CNc2nc(NC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000095548010 562759046 /nfs/dbraw/zinc/75/90/46/562759046.db2.gz SXQUOWPJGOXGMJ-DDADIKCBSA-N 2 2 806.966 4.332 1 0 KIAFLP COc1ccc(CNc2nc(NC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc3c(NCc4ccc(OC)c(OC)c4)nc(NC[C@H](C)OC(=O)[C@@H]([NH3+])C(C)C)nc23)cc1OC ZINC000095548011 562759058 /nfs/dbraw/zinc/75/90/58/562759058.db2.gz SXQUOWPJGOXGMJ-UDRQUUIHSA-N 2 2 806.966 4.332 1 0 KIAFLP CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000095558053 562762328 /nfs/dbraw/zinc/76/23/28/562762328.db2.gz UMFTZASZHQPAME-NHWHBYNLSA-N 2 2 810.005 4.135 1 0 KIAFLP COCC(=O)N[C@@H](Cc1cccc(-c2[nH+]ccn2C)c1)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574612 562770029 /nfs/dbraw/zinc/77/00/29/562770029.db2.gz OWSUWCSVFOZIGR-HZFUHODCSA-N 2 2 575.754 4.141 1 0 KIAFLP CC(C)c1ccc(NC(=O)c2cccc(-c3nn([C@@H]4CCCN(C(=O)/C=C/CN5CC[NH2+]CC5)C4)c4nc[nH+]c(N)c34)c2)cc1 ZINC000095577637 562771041 /nfs/dbraw/zinc/77/10/41/562771041.db2.gz LPJKMUHMDOACCC-LZABFTAWSA-N 2 2 607.763 4.076 1 0 KIAFLP C[NH2+]C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095579357 562771542 /nfs/dbraw/zinc/77/15/42/562771542.db2.gz PQYJWNQBPIODIS-VIDGFWFCSA-N 2 2 552.683 4.390 1 0 KIAFLP C[NH+](C)CC(C[NH+](C)C)NC(=O)COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582296 562772509 /nfs/dbraw/zinc/77/25/09/562772509.db2.gz ABXPSNYVYCIKKV-UHFFFAOYSA-N 2 2 589.553 4.054 1 0 KIAFLP [NH3+]CCC[NH+](CCC[NH3+])CCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582636 562772652 /nfs/dbraw/zinc/77/26/52/562772652.db2.gz MPPAYSQETOUNIE-UHFFFAOYSA-N 3 2 561.543 4.446 1 0 KIAFLP CC(C)(C)C[C@@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000095602996 562780299 /nfs/dbraw/zinc/78/02/99/562780299.db2.gz YTBYOWZWBDYLQF-WSQBEXMKSA-N 2 2 577.528 4.331 1 0 KIAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)[NH2+]C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000095612253 562785337 /nfs/dbraw/zinc/78/53/37/562785337.db2.gz QBXOLNLSJMKIGR-INMKTMPKSA-N 2 2 781.999 4.372 1 0 KIAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)[NH2+]C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000095612254 562785324 /nfs/dbraw/zinc/78/53/24/562785324.db2.gz QBXOLNLSJMKIGR-GOXAKLKVSA-N 2 2 781.999 4.372 1 0 KIAFLP CC[C@H]1OC(=O)[C@@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095612441 562785521 /nfs/dbraw/zinc/78/55/21/562785521.db2.gz NMDXELQYVSADSN-FWEZOHKQSA-N 2 2 809.958 4.414 1 0 KIAFLP CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NC=Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095612442 562785509 /nfs/dbraw/zinc/78/55/09/562785509.db2.gz NMDXELQYVSADSN-XLSAKUAVSA-N 2 2 809.958 4.414 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000096306988 562796371 /nfs/dbraw/zinc/79/63/71/562796371.db2.gz SCQCUIDAIVTNEN-GPNLQXFVSA-N 3 2 643.276 4.005 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@]2([NH3+])CCc3ccccc3C2)CC1 ZINC000096306990 562796381 /nfs/dbraw/zinc/79/63/81/562796381.db2.gz SCQCUIDAIVTNEN-VZUPCPEBSA-N 3 2 643.276 4.005 1 0 KIAFLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000096306992 562796367 /nfs/dbraw/zinc/79/63/67/562796367.db2.gz IQEGHBZHMJPPPE-XXZALLQVSA-N 3 2 643.276 4.396 1 0 KIAFLP C[NH+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[N@H+]3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799754 /nfs/dbraw/zinc/79/97/54/562799754.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 2 2 547.659 4.414 1 0 KIAFLP C[NH+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[N@@H+]3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799753 /nfs/dbraw/zinc/79/97/53/562799753.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 2 2 547.659 4.414 1 0 KIAFLP C[N@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[NH+]3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799752 /nfs/dbraw/zinc/79/97/52/562799752.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 2 2 547.659 4.414 1 0 KIAFLP C[N@@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[NH+]3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799751 /nfs/dbraw/zinc/79/97/51/562799751.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 2 2 547.659 4.414 1 0 KIAFLP COc1ccc(C[C@@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913936 562800534 /nfs/dbraw/zinc/80/05/34/562800534.db2.gz UAWWMFAYDSBNHI-HHHXNRCGSA-N 2 2 547.696 4.111 1 0 KIAFLP COc1ccc(C[C@@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913936 562800533 /nfs/dbraw/zinc/80/05/33/562800533.db2.gz UAWWMFAYDSBNHI-HHHXNRCGSA-N 2 2 547.696 4.111 1 0 KIAFLP COc1ccc(C[C@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913937 562800584 /nfs/dbraw/zinc/80/05/84/562800584.db2.gz UAWWMFAYDSBNHI-MHZLTWQESA-N 2 2 547.696 4.111 1 0 KIAFLP COc1ccc(C[C@H]2c3cc(OCC[NH+](C)C)c(OC)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000096913937 562800583 /nfs/dbraw/zinc/80/05/83/562800583.db2.gz UAWWMFAYDSBNHI-MHZLTWQESA-N 2 2 547.696 4.111 1 0 KIAFLP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(NC(=O)C[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938708 562804598 /nfs/dbraw/zinc/80/45/98/562804598.db2.gz IMYBYSWUJPCCJZ-SDNWHVSQSA-N 2 2 566.681 4.481 1 0 KIAFLP NC(=[NH2+])c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000098208856 562806069 /nfs/dbraw/zinc/80/60/69/562806069.db2.gz CVYPHGJZNLYSHQ-UHFFFAOYSA-N 2 2 520.546 4.174 1 0 in-vitro KIAFLP CCCC(=O)N1CCc2c([nH+]c(C)n2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](NC(C)=O)c2cccc(F)c2)C1 ZINC000101391212 562810559 /nfs/dbraw/zinc/81/05/59/562810559.db2.gz GROFPPUYVVUDRM-QUMGSSFMSA-N 2 2 509.670 4.451 1 0 KIAFLP CCCC(=O)N1CCc2c([nH+]c(C)n2[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC[C@H](NC(C)=O)c2cccc(F)c2)C1 ZINC000101391212 562810558 /nfs/dbraw/zinc/81/05/58/562810558.db2.gz GROFPPUYVVUDRM-QUMGSSFMSA-N 2 2 509.670 4.451 1 0 KIAFLP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(c1ccncn1)C3)C2)c1cccc(F)c1 ZINC000101391224 562810540 /nfs/dbraw/zinc/81/05/40/562810540.db2.gz QWFGTDDNQVGRKP-QUMGSSFMSA-N 2 2 517.653 4.119 1 0 KIAFLP CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(c1ccncn1)C3)C2)c1cccc(F)c1 ZINC000101391224 562810539 /nfs/dbraw/zinc/81/05/39/562810539.db2.gz QWFGTDDNQVGRKP-QUMGSSFMSA-N 2 2 517.653 4.119 1 0 KIAFLP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(c1cnccn1)C3)C2)c1cccc(F)c1 ZINC000101391230 562810523 /nfs/dbraw/zinc/81/05/23/562810523.db2.gz WOXHINDXMMSUOT-QUMGSSFMSA-N 2 2 517.653 4.119 1 0 KIAFLP CC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CCN(c1cnccn1)C3)C2)c1cccc(F)c1 ZINC000101391230 562810522 /nfs/dbraw/zinc/81/05/22/562810522.db2.gz WOXHINDXMMSUOT-QUMGSSFMSA-N 2 2 517.653 4.119 1 0 KIAFLP COC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 ZINC000101391246 562810534 /nfs/dbraw/zinc/81/05/34/562810534.db2.gz DSCMAXGHSLCWHO-AFXVXQJMSA-N 2 2 513.614 4.110 1 0 KIAFLP COC(=O)N[C@@H](CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)[nH+]c3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 ZINC000101391246 562810533 /nfs/dbraw/zinc/81/05/33/562810533.db2.gz DSCMAXGHSLCWHO-AFXVXQJMSA-N 2 2 513.614 4.110 1 0 KIAFLP [NH3+]CC[NH2+]CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696321 562811851 /nfs/dbraw/zinc/81/18/51/562811851.db2.gz CCFQFLQMVFLSFU-UHFFFAOYSA-N 2 2 528.634 4.151 1 0 KIAFLP CC(=O)N1CCc2[nH+]c(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224993 562817623 /nfs/dbraw/zinc/81/76/23/562817623.db2.gz LKWMJYRYMBSDDR-QUAHOIDUSA-N 2 2 575.779 4.416 1 0 KIAFLP CC(=O)N1CCc2[nH+]c(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224993 562817622 /nfs/dbraw/zinc/81/76/22/562817622.db2.gz LKWMJYRYMBSDDR-QUAHOIDUSA-N 2 2 575.779 4.416 1 0 KIAFLP CC(=O)N1CCc2[nH+]c(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224995 562817684 /nfs/dbraw/zinc/81/76/84/562817684.db2.gz LKWMJYRYMBSDDR-GKQHHHCTSA-N 2 2 575.779 4.416 1 0 KIAFLP CC(=O)N1CCc2[nH+]c(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224995 562817683 /nfs/dbraw/zinc/81/76/83/562817683.db2.gz LKWMJYRYMBSDDR-GKQHHHCTSA-N 2 2 575.779 4.416 1 0 KIAFLP C[NH+]1CCN(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3cc(F)ccc3c2)CC1 ZINC000103231427 562818281 /nfs/dbraw/zinc/81/82/81/562818281.db2.gz IABLUIXTFBYBAQ-OJXFFNQFSA-N 2 2 514.645 4.292 1 0 KIAFLP C[NH+]1CCN(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc3cc(F)ccc3c2)CC1 ZINC000103231427 562818280 /nfs/dbraw/zinc/81/82/80/562818280.db2.gz IABLUIXTFBYBAQ-OJXFFNQFSA-N 2 2 514.645 4.292 1 0 KIAFLP NC(=[NH2+])c1ccc(Oc2ccc(NS(=O)(=O)c3cc(F)cc(F)c3)c(Oc3ccc(C(N)=[NH2+])cc3)n2)cc1 ZINC000103233830 562818546 /nfs/dbraw/zinc/81/85/46/562818546.db2.gz OULLHRZBOHSCMV-UHFFFAOYSA-N 2 2 538.536 4.313 1 0 KIAFLP C[NH+]1CCN(CCOc2ccc(-c3c(=O)oc4cc(OCCN5CC[NH+](C)CC5)ccc4c3-c3ccccc3)cc2)CC1 ZINC000103267534 562822436 /nfs/dbraw/zinc/82/24/36/562822436.db2.gz FTOSTHBUSYABMJ-UHFFFAOYSA-N 2 2 582.745 4.379 1 0 KIAFLP C[NH+]1CCN(CCOc2ccc(-c3c4ccccc4oc(=O)c3-c3ccc(OCCN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000103267547 562822471 /nfs/dbraw/zinc/82/24/71/562822471.db2.gz ZOFKAILAXKVQDU-UHFFFAOYSA-N 2 2 582.745 4.379 1 0 KIAFLP COc1cc2[nH+]c(N3CCN(c4cccc[nH+]4)CC3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000105142509 562825143 /nfs/dbraw/zinc/82/51/43/562825143.db2.gz ZVFCREVCGFDCBE-UHFFFAOYSA-N 3 2 539.684 4.445 1 0 KIAFLP C[NH+]1CCN(c2ccc3c(c2)[nH]c2c3cc(-c3ccc(C[NH+]4CCOCC4)c(Cl)c3)cc2C(N)=O)CC1 ZINC000113207044 562826347 /nfs/dbraw/zinc/82/63/47/562826347.db2.gz OCVCOYUHNZIGBC-UHFFFAOYSA-N 2 2 518.061 4.324 1 0 KIAFLP C[NH+](C)CC(=O)N1CCN(c2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000114037827 562827238 /nfs/dbraw/zinc/82/72/38/562827238.db2.gz DKIQDUKDCJKLNB-UHFFFAOYSA-N 2 2 510.997 4.203 1 0 KIAFLP COc1cc(-c2ccc3[nH+]cc(C(C)=O)c(Nc4cnc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1O ZINC000114039281 562827387 /nfs/dbraw/zinc/82/73/87/562827387.db2.gz PVRDXZWKQIGTTM-UHFFFAOYSA-N 2 2 504.978 4.415 1 0 KIAFLP [NH3+]C1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)c[nH+]c4c3)nn2)CC1 ZINC000139536173 562832579 /nfs/dbraw/zinc/83/25/79/562832579.db2.gz YBVLJFZBRWBLPQ-UHFFFAOYSA-N 2 2 510.524 4.070 1 0 KIAFLP O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4ccc(OC5CC[NH2+]CC5)nn4)ccn32)c1 ZINC000139583726 562832673 /nfs/dbraw/zinc/83/26/73/562832673.db2.gz PHRHRITUXCQCKS-UHFFFAOYSA-N 2 2 511.508 4.273 1 0 KIAFLP O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4ccc(O[C@@H]5CCC[NH2+]C5)nn4)ccn32)c1 ZINC000139620519 562832714 /nfs/dbraw/zinc/83/27/14/562832714.db2.gz YWXPUULEEPYBOI-LJQANCHMSA-N 2 2 511.508 4.273 1 0 KIAFLP O=C(NCC(F)(F)F)Nc1cccc(-c2c[nH+]c3cc(-c4ccc(O[C@H]5CCC[NH2+]C5)nn4)ccn32)c1 ZINC000139620655 562832717 /nfs/dbraw/zinc/83/27/17/562832717.db2.gz YWXPUULEEPYBOI-IBGZPJMESA-N 2 2 511.508 4.273 1 0 KIAFLP COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NCc1ccccc1 ZINC000140343942 562833040 /nfs/dbraw/zinc/83/30/40/562833040.db2.gz FXQFQTDJCPCULX-RQNOJGIXSA-N 2 2 526.689 4.427 1 0 KIAFLP COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)CCc1ccccc1 ZINC000140731883 562833285 /nfs/dbraw/zinc/83/32/85/562833285.db2.gz WGBGLPNMHGTLQS-SOAUALDESA-N 2 2 568.726 4.387 1 0 KIAFLP COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@@H]2[NH2+]Cc2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000144629237 562836578 /nfs/dbraw/zinc/83/65/78/562836578.db2.gz XZJFCCNTHXFRPO-IZLXSDGUSA-N 2 2 519.686 4.492 1 0 KIAFLP COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2[NH2+]Cc2ccc3ccccc3c2)C(C)C)ccc1OC ZINC000145013597 562836863 /nfs/dbraw/zinc/83/68/63/562836863.db2.gz XZJFCCNTHXFRPO-WUFINQPMSA-N 2 2 519.686 4.492 1 0 KIAFLP COc1cccc(F)c1C[N@H+]1CC[C@@H]2C[C@]2(NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000147768331 562839595 /nfs/dbraw/zinc/83/95/95/562839595.db2.gz QVYUJVZTGFRVBK-OLILMLBXSA-N 2 2 510.573 4.420 1 0 KIAFLP COc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[C@]2(NC(=O)c2ccc3[nH]nc(-c4ccc5[nH+]ccn5c4)c3c2)C1 ZINC000147768331 562839594 /nfs/dbraw/zinc/83/95/94/562839594.db2.gz QVYUJVZTGFRVBK-OLILMLBXSA-N 2 2 510.573 4.420 1 0 KIAFLP C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5cc[nH+]c5c4)c3c2)C1 ZINC000147813066 562839766 /nfs/dbraw/zinc/83/97/66/562839766.db2.gz XENBJVLHVHCFBN-XLIONFOSSA-N 2 2 500.553 4.449 1 0 KIAFLP C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5cc[nH+]c5c4)c3c2)C1 ZINC000147813066 562839765 /nfs/dbraw/zinc/83/97/65/562839765.db2.gz XENBJVLHVHCFBN-XLIONFOSSA-N 2 2 500.553 4.449 1 0 KIAFLP C[NH+]1CCC([NH+]2CCN(c3nc(N)c4ncnc(Nc5cccc(C(=O)Nc6cccc(C(F)(F)F)c6)c5)c4n3)CC2)CC1 ZINC000148033711 562839868 /nfs/dbraw/zinc/83/98/68/562839868.db2.gz PPDKFEACXBXRDD-UHFFFAOYSA-N 2 2 606.657 4.233 1 0 KIAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@@H]4CCC[N@H+](C)C4)CC3)nc21 ZINC000148316361 562840987 /nfs/dbraw/zinc/84/09/87/562840987.db2.gz PBEBOQYRGLENEI-JOCHJYFZSA-N 2 2 598.756 4.473 1 0 KIAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)CC3)nc21 ZINC000148316361 562840986 /nfs/dbraw/zinc/84/09/86/562840986.db2.gz PBEBOQYRGLENEI-JOCHJYFZSA-N 2 2 598.756 4.473 1 0 KIAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@H]4CCC[N@H+](C)C4)CC3)nc21 ZINC000148316576 562841025 /nfs/dbraw/zinc/84/10/25/562841025.db2.gz PBEBOQYRGLENEI-QFIPXVFZSA-N 2 2 598.756 4.473 1 0 KIAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C[C@H]4CCC[N@@H+](C)C4)CC3)nc21 ZINC000148316576 562841024 /nfs/dbraw/zinc/84/10/24/562841024.db2.gz PBEBOQYRGLENEI-QFIPXVFZSA-N 2 2 598.756 4.473 1 0 KIAFLP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc21 ZINC000148317313 562841007 /nfs/dbraw/zinc/84/10/07/562841007.db2.gz ADRPPWOUBRIZBQ-UHFFFAOYSA-N 2 2 584.729 4.226 1 0 KIAFLP CNc1c[nH+]ccc1C1CCC([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149146271 562842238 /nfs/dbraw/zinc/84/22/38/562842238.db2.gz SIMPHXXRRUXIKA-UHFFFAOYSA-N 2 2 513.568 4.024 1 0 KIAFLP CC[C@@H](O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3[nH+]ccc4ccc(C(F)(F)C(F)(F)F)cc43)C2)CC1 ZINC000149151734 562842249 /nfs/dbraw/zinc/84/22/49/562842249.db2.gz GTWCIZBJSHIPBT-LKUPVBHCSA-N 2 2 514.539 4.431 1 0 KIAFLP CC[C@H](O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3[nH+]ccc4ccc(C(F)(F)C(F)(F)F)cc43)C2)CC1 ZINC000149151951 562842293 /nfs/dbraw/zinc/84/22/93/562842293.db2.gz GTWCIZBJSHIPBT-SCWSEQNSSA-N 2 2 514.539 4.431 1 0 KIAFLP COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(C(=O)N(C)C)CC5)CC4)c4nc[nH+]c(N)c34)ccc2[nH]1 ZINC000149170088 562842326 /nfs/dbraw/zinc/84/23/26/562842326.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 2 2 608.751 4.334 1 0 KIAFLP COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(C(=O)N(C)C)CC5)CC4)c4nc[nH+]c(N)c34)cc2[nH]1 ZINC000149170088 562842325 /nfs/dbraw/zinc/84/23/25/562842325.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 2 2 608.751 4.334 1 0 KIAFLP c1ccc(C[NH+]2CCC(Nc3nc(N4CCN(c5cccc[nH+]5)CC4)[nH+]c4cc5c(cc43)OCO5)CC2)cc1 ZINC000149487126 562842689 /nfs/dbraw/zinc/84/26/89/562842689.db2.gz DHOSTFATOMPGGA-UHFFFAOYSA-N 3 2 523.641 4.157 1 0 KIAFLP CC[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000150214100 562842981 /nfs/dbraw/zinc/84/29/81/562842981.db2.gz GXVPQGOAOFFRJE-YFJOKQOBSA-N 2 2 506.613 4.244 1 0 KIAFLP CC[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000150223548 562843014 /nfs/dbraw/zinc/84/30/14/562843014.db2.gz GXVPQGOAOFFRJE-UVVSDCGDSA-N 2 2 506.613 4.244 1 0 KIAFLP [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000150363604 562843327 /nfs/dbraw/zinc/84/33/27/562843327.db2.gz PWPMKDORTALZSG-IHLOFXLRSA-N 2 2 856.617 4.141 1 0 KIAFLP [NH3+]CCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000150363612 562843309 /nfs/dbraw/zinc/84/33/09/562843309.db2.gz YYSNPBLETNIGCW-JSOSNVBQSA-N 2 2 855.633 4.288 1 0 KIAFLP CC[NH+]1CCN(c2nc(NCCCCOc3nc(Nc4ccccc4)nc(N4CC[NH+](CC)CC4)n3)nc(Nc3ccccc3)n2)CC1 ZINC000150600194 562847108 /nfs/dbraw/zinc/84/71/08/562847108.db2.gz QEBGTHOKONNAFW-UHFFFAOYSA-N 2 2 653.840 4.099 1 0 KIAFLP [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161807123 562849221 /nfs/dbraw/zinc/84/92/21/562849221.db2.gz PWPMKDORTALZSG-XZWHSSHBSA-N 2 2 856.617 4.141 1 0 KIAFLP COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C4CC[NH+](C)CC4)CC3)nc12 ZINC000165255492 562849955 /nfs/dbraw/zinc/84/99/55/562849955.db2.gz UXFSNZOSHVHSBS-UHFFFAOYSA-N 2 2 636.683 4.242 1 0 KIAFLP COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(N6CC[NH+](C)CC6)c(F)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000165279238 562850064 /nfs/dbraw/zinc/85/00/64/562850064.db2.gz QPDCRUJLQFATGO-UHFFFAOYSA-N 2 2 682.727 4.402 1 0 KIAFLP Cc1nc2nc(-c3ccc(C[NH+]4CCC(n5ncc6c5nc[nH+]c6N)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167039433 562850620 /nfs/dbraw/zinc/85/06/20/562850620.db2.gz NYQZVVRJQDPIAJ-UHFFFAOYSA-N 2 2 516.613 4.326 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000169290250 562851775 /nfs/dbraw/zinc/85/17/75/562851775.db2.gz CJGANXISTMOLNK-VSKRKVRLSA-N 2 2 544.540 4.211 1 0 KIAFLP COc1cc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(N[C@@H]3Cc4cc(Cl)ccc4N3)c2cc1OC ZINC000169293837 562852182 /nfs/dbraw/zinc/85/21/82/562852182.db2.gz JIBXTTIJVWINIF-DNOBIOAJSA-N 2 2 553.107 4.380 1 0 KIAFLP COc1cc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(N[C@@H]3Cc4cc(Cl)ccc4N3)c2cc1OC ZINC000169293837 562852181 /nfs/dbraw/zinc/85/21/81/562852181.db2.gz JIBXTTIJVWINIF-DNOBIOAJSA-N 2 2 553.107 4.380 1 0 KIAFLP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCN(C)CC3)c2)n1 ZINC000169310614 562854906 /nfs/dbraw/zinc/85/49/06/562854906.db2.gz ILYBFMOXMXGGJH-UHFFFAOYSA-N 2 2 595.148 4.002 1 0 KIAFLP C[NH+]1CCN(c2nc(Nc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323835 562857151 /nfs/dbraw/zinc/85/71/51/562857151.db2.gz MZRMQPJLEIBEQF-UHFFFAOYSA-N 2 2 532.052 4.149 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000169328027 562858245 /nfs/dbraw/zinc/85/82/45/562858245.db2.gz JYRKGTLBBJHVGA-DNZIZEQUSA-N 2 2 504.675 4.076 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000169328027 562858244 /nfs/dbraw/zinc/85/82/44/562858244.db2.gz JYRKGTLBBJHVGA-DNZIZEQUSA-N 2 2 504.675 4.076 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4[nH+]ccn43)CC2)C1 ZINC000169328719 562858410 /nfs/dbraw/zinc/85/84/10/562858410.db2.gz SKBUEWJIXHHCOK-BDGPUAICSA-N 2 2 543.712 4.329 1 0 KIAFLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4[nH+]ccn43)CC2)C1 ZINC000169328719 562858409 /nfs/dbraw/zinc/85/84/09/562858409.db2.gz SKBUEWJIXHHCOK-BDGPUAICSA-N 2 2 543.712 4.329 1 0 KIAFLP CCCCS(=O)(=O)c1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(S(=O)(=O)CCCC)cc2)cc1 ZINC000169337234 562859981 /nfs/dbraw/zinc/85/99/81/562859981.db2.gz WAPLWTZXTUZHLR-UHFFFAOYSA-N 4 2 676.914 4.016 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000169371353 562864784 /nfs/dbraw/zinc/86/47/84/562864784.db2.gz GHFPSKUEUUDFIE-QIJUGHKUSA-N 2 2 545.433 4.499 1 0 KIAFLP C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000169371355 562864789 /nfs/dbraw/zinc/86/47/89/562864789.db2.gz GHFPSKUEUUDFIE-COPCDDAFSA-N 2 2 545.433 4.499 1 0 KIAFLP C[C@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697637 562866519 /nfs/dbraw/zinc/86/65/19/562866519.db2.gz DOCHXEHAHKHVRX-IBGZPJMESA-N 2 2 533.636 4.180 1 0 KIAFLP C[C@@H](O)CNC(=O)c1cccc(-c2ccc3nc(-c4ccc[nH+]c4N)n(-c4ccc(C5([NH3+])CCC5)cc4)c3n2)c1 ZINC000169697638 562866505 /nfs/dbraw/zinc/86/65/05/562866505.db2.gz DOCHXEHAHKHVRX-LJQANCHMSA-N 2 2 533.636 4.180 1 0 KIAFLP Nc1[nH+]cccc1-c1nc2ccc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc2n1-c1ccc(C2([NH3+])CCC2)cc1 ZINC000169697648 562866513 /nfs/dbraw/zinc/86/65/13/562866513.db2.gz MHXDFKXYTDYTRJ-UHFFFAOYSA-N 2 2 565.703 4.304 1 0 KIAFLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)[C@@H]([NH3+])C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698164 562866943 /nfs/dbraw/zinc/86/69/43/562866943.db2.gz JYUNJVCQDWQLLI-ZDIDPRFDSA-N 2 2 750.948 4.453 1 0 KIAFLP CCC1(CC)[NH2+][C@@H](C(=O)NCC[NH+]2CCOCC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169700237 562867641 /nfs/dbraw/zinc/86/76/41/562867641.db2.gz ORGYNUKDWVRYBJ-ZQIDGUAPSA-N 2 2 563.501 4.085 1 0 KIAFLP O=C(NCC[NH+]1CCOCC1)[C@@H]1[NH2+]C2(CCC(F)(F)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700238 562867643 /nfs/dbraw/zinc/86/76/43/562867643.db2.gz DUUKXUBPZCGIEL-IQANXLHVSA-N 2 2 611.492 4.475 1 0 KIAFLP O=C(NCC[NH+]1CCOCC1)[C@@H]1[NH2+]C2(CCC(F)(F)CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700239 562867651 /nfs/dbraw/zinc/86/76/51/562867651.db2.gz DUUKXUBPZCGIEL-KNAJXNNHSA-N 2 2 611.492 4.475 1 0 KIAFLP O=C(NCC[NH+]1CCOCC1)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700246 562867656 /nfs/dbraw/zinc/86/76/56/562867656.db2.gz ZULOPCMLZWFEKU-ZLZBJJAKSA-N 2 2 575.512 4.229 1 0 KIAFLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]C3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000169700253 562867645 /nfs/dbraw/zinc/86/76/45/562867645.db2.gz DJKVIZGHBJETHE-ZRLKGHKBSA-N 2 2 651.632 4.406 1 0 KIAFLP C[NH+]1CCN(CCC[N@H+]2CCC3(N4CC[NH+](C)CC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448533 562871906 /nfs/dbraw/zinc/87/19/06/562871906.db2.gz UHWGNJCOPKVATP-AOQDKHGRSA-N 3 2 515.790 4.046 1 0 KIAFLP C[NH+]1CCN(CCC[N@@H+]2CCC3(N4CC[NH+](C)CC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448533 562871905 /nfs/dbraw/zinc/87/19/05/562871905.db2.gz UHWGNJCOPKVATP-AOQDKHGRSA-N 3 2 515.790 4.046 1 0 KIAFLP COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NCC(=O)N4CC[NH+](C)CC4)c3c2)cc(Cl)c1O ZINC000203803606 562874218 /nfs/dbraw/zinc/87/42/18/562874218.db2.gz SJULBWYZZFLEAN-UHFFFAOYSA-N 2 2 509.006 4.048 1 0 KIAFLP C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5cc[nH+]c5c4)c3c2)C1 ZINC000205025621 562874818 /nfs/dbraw/zinc/87/48/18/562874818.db2.gz XENBJVLHVHCFBN-PXNSSMCTSA-N 2 2 500.553 4.449 1 0 KIAFLP C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5cc[nH+]c5c4)c3c2)C1 ZINC000205025621 562874817 /nfs/dbraw/zinc/87/48/17/562874817.db2.gz XENBJVLHVHCFBN-PXNSSMCTSA-N 2 2 500.553 4.449 1 0 KIAFLP C[NH+](C)C/C=C/C(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c3nc[nH+]c4N)C2)C1 ZINC000214199355 562877303 /nfs/dbraw/zinc/87/73/03/562877303.db2.gz YSWLOVMGVYDHPU-RMKNXTFCSA-N 2 2 509.614 4.149 1 0 KIAFLP COc1cc2[nH+]c(N3CCC(N(C)C(=O)[C@H]4CCC[NH2+]4)CC3)nc(Nc3ccc(Cl)cc3F)c2cc1OC ZINC000220504416 562878549 /nfs/dbraw/zinc/87/85/49/562878549.db2.gz WEQOJZXISUCIHX-OAQYLSRUSA-N 2 2 543.043 4.362 1 0 KIAFLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)s2)s1 ZINC000223710310 562880152 /nfs/dbraw/zinc/88/01/52/562880152.db2.gz YVPOBLWJFXTOIR-DNQXCXABSA-N 2 2 606.822 4.178 1 0 KIAFLP Cc1nc(Cc2nc3cc(-c4nn([C@H]5CC[C@H]([NH+]6CCOCC6)CC5)c5nc[nH+]c(N)c45)ccc3[nH]2)cs1 ZINC000253669629 562882716 /nfs/dbraw/zinc/88/27/16/562882716.db2.gz STAAEKNKOMTDTG-MXVIHJGJSA-N 2 2 529.674 4.123 1 0 KIAFLP Cc1nc(Cc2nc3ccc(-c4nn([C@H]5CC[C@H]([NH+]6CCOCC6)CC5)c5nc[nH+]c(N)c45)cc3[nH]2)cs1 ZINC000253669629 562882715 /nfs/dbraw/zinc/88/27/15/562882715.db2.gz STAAEKNKOMTDTG-MXVIHJGJSA-N 2 2 529.674 4.123 1 0 KIAFLP COc1cc2[nH+]c(N3CCCC3)nc(NCCCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC ZINC000299829273 562884779 /nfs/dbraw/zinc/88/47/79/562884779.db2.gz RHMKSQROWBMSQH-UHFFFAOYSA-N 2 2 528.698 4.382 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@H](O)C3)[C@@H]21 ZINC000299832832 562885951 /nfs/dbraw/zinc/88/59/51/562885951.db2.gz UDULYXFKIFOLFG-CIMCOABOSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@H](O)C3)[C@@H]21 ZINC000299832832 562885950 /nfs/dbraw/zinc/88/59/50/562885950.db2.gz UDULYXFKIFOLFG-CIMCOABOSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@H](O)C3)[C@@H]21 ZINC000299832832 562885949 /nfs/dbraw/zinc/88/59/49/562885949.db2.gz UDULYXFKIFOLFG-CIMCOABOSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@@H]21 ZINC000299832832 562885948 /nfs/dbraw/zinc/88/59/48/562885948.db2.gz UDULYXFKIFOLFG-CIMCOABOSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885997 /nfs/dbraw/zinc/88/59/97/562885997.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885996 /nfs/dbraw/zinc/88/59/96/562885996.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885995 /nfs/dbraw/zinc/88/59/95/562885995.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885994 /nfs/dbraw/zinc/88/59/94/562885994.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885986 /nfs/dbraw/zinc/88/59/86/562885986.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885985 /nfs/dbraw/zinc/88/59/85/562885985.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885984 /nfs/dbraw/zinc/88/59/84/562885984.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885983 /nfs/dbraw/zinc/88/59/83/562885983.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885979 /nfs/dbraw/zinc/88/59/79/562885979.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]([NH+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885978 /nfs/dbraw/zinc/88/59/78/562885978.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885977 /nfs/dbraw/zinc/88/59/77/562885977.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 2 2 502.486 4.237 1 0 KIAFLP O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]([N@@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885976 /nfs/dbraw/zinc/88/59/76/562885976.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 2 2 502.486 4.237 1 0 KIAFLP C[C@H](O)CNc1nc(-n2ccnc2Cc2cccc(NC(=O)c3cc(N4CC[NH+](C)CC4)cc(C(F)(F)F)c3)c2)cc[nH+]1 ZINC000299837825 562887646 /nfs/dbraw/zinc/88/76/46/562887646.db2.gz LECHLVGRAMORSO-FQEVSTJZSA-N 2 2 594.642 4.069 1 0 KIAFLP C[N@H+]1CCC=C(c2nsnc2OCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299838684 562887931 /nfs/dbraw/zinc/88/79/31/562887931.db2.gz QTQLWKLZSPZQTO-UHFFFAOYSA-N 2 2 509.720 4.498 1 0 KIAFLP C[N@@H+]1CCC=C(c2nsnc2OCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299838684 562887930 /nfs/dbraw/zinc/88/79/30/562887930.db2.gz QTQLWKLZSPZQTO-UHFFFAOYSA-N 2 2 509.720 4.498 1 0 KIAFLP COc1cc(-c2cn([C@H]3CC[C@H]([NH+]4CCN(C)CC4)CC3)c3nc[nH+]c(N)c23)ccc1NS(=O)(=O)c1ccccc1 ZINC000299845693 562889540 /nfs/dbraw/zinc/88/95/40/562889540.db2.gz PBHLCYDKXKGQAQ-YHBQERECSA-N 2 2 575.739 4.221 1 0 KIAFLP C[NH+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[N@H+]3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890436 /nfs/dbraw/zinc/89/04/36/562890436.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 2 2 547.659 4.414 1 0 KIAFLP C[NH+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[N@@H+]3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890435 /nfs/dbraw/zinc/89/04/35/562890435.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 2 2 547.659 4.414 1 0 KIAFLP C[N@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[NH+]3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890434 /nfs/dbraw/zinc/89/04/34/562890434.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 2 2 547.659 4.414 1 0 KIAFLP C[N@@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CC[NH+]3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890433 /nfs/dbraw/zinc/89/04/33/562890433.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 2 2 547.659 4.414 1 0 KIAFLP C[N@@H+](CCNCc1cn(Cc2nc3cc(Cl)ccc3[nH]2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299855839 562891781 /nfs/dbraw/zinc/89/17/81/562891781.db2.gz BRLAZDFEEQNOBK-UHFFFAOYSA-N 2 2 524.460 4.191 1 0 KIAFLP C[N@H+](CCNCc1cn(Cc2nc3cc(Cl)ccc3[nH]2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299855839 562891780 /nfs/dbraw/zinc/89/17/80/562891780.db2.gz BRLAZDFEEQNOBK-UHFFFAOYSA-N 2 2 524.460 4.191 1 0 KIAFLP CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC[NH2+]Cc1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000299857237 562892148 /nfs/dbraw/zinc/89/21/48/562892148.db2.gz DYUWYZKFXCLZLZ-UHFFFAOYSA-N 2 2 503.054 4.337 1 0 KIAFLP C[N@@H+](CCNCc1cn(CCc2c[nH]c3ccccc23)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299857237 562892147 /nfs/dbraw/zinc/89/21/47/562892147.db2.gz DYUWYZKFXCLZLZ-UHFFFAOYSA-N 2 2 503.054 4.337 1 0 KIAFLP C[N@H+](CCNCc1cn(CCc2c[nH]c3ccccc23)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299857237 562892146 /nfs/dbraw/zinc/89/21/46/562892146.db2.gz DYUWYZKFXCLZLZ-UHFFFAOYSA-N 2 2 503.054 4.337 1 0 KIAFLP CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC[NH2+]Cc1cn(-c2ccc(Br)cc2)nn1 ZINC000299859830 562892828 /nfs/dbraw/zinc/89/28/28/562892828.db2.gz IKKLMKQAQQEPCS-UHFFFAOYSA-N 2 2 514.859 4.365 1 0 KIAFLP C[N@@H+](CCNCc1cn(-c2ccc(Br)cc2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299859830 562892827 /nfs/dbraw/zinc/89/28/27/562892827.db2.gz IKKLMKQAQQEPCS-UHFFFAOYSA-N 2 2 514.859 4.365 1 0 KIAFLP C[N@H+](CCNCc1cn(-c2ccc(Br)cc2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299859830 562892826 /nfs/dbraw/zinc/89/28/26/562892826.db2.gz IKKLMKQAQQEPCS-UHFFFAOYSA-N 2 2 514.859 4.365 1 0 KIAFLP CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC[NH2+]Cc1cn(CC(=O)Nc2cccc3ccc(O)cc32)nn1 ZINC000299861202 562893252 /nfs/dbraw/zinc/89/32/52/562893252.db2.gz KWYNYKBIBXMIAA-UHFFFAOYSA-N 2 2 559.074 4.111 1 0 KIAFLP C[N@@H+](CCNCc1cn(CC(=O)Nc2cccc3ccc(O)cc32)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299861202 562893251 /nfs/dbraw/zinc/89/32/51/562893251.db2.gz KWYNYKBIBXMIAA-UHFFFAOYSA-N 2 2 559.074 4.111 1 0 KIAFLP C[N@H+](CCNCc1cn(CC(=O)Nc2cccc3ccc(O)cc32)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299861202 562893250 /nfs/dbraw/zinc/89/32/50/562893250.db2.gz KWYNYKBIBXMIAA-UHFFFAOYSA-N 2 2 559.074 4.111 1 0 KIAFLP Cc1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c(-c2cc(-c3ccccc3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299861640 562893390 /nfs/dbraw/zinc/89/33/90/562893390.db2.gz INBVDWZBHBBDOC-HSZRJFAPSA-N 2 2 560.676 4.016 1 0 KIAFLP CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC[NH2+]Cc1cn(Cc2ccc(Br)cc2)nn1 ZINC000299864448 562894116 /nfs/dbraw/zinc/89/41/16/562894116.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 2 2 528.886 4.424 1 0 KIAFLP C[N@@H+](CCNCc1cn(Cc2ccc(Br)cc2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299864448 562894115 /nfs/dbraw/zinc/89/41/15/562894115.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 2 2 528.886 4.424 1 0 KIAFLP C[N@H+](CCNCc1cn(Cc2ccc(Br)cc2)nn1)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000299864448 562894114 /nfs/dbraw/zinc/89/41/14/562894114.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 2 2 528.886 4.424 1 0 KIAFLP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@@H]3CCC[NH2+]C3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299865105 562894328 /nfs/dbraw/zinc/89/43/28/562894328.db2.gz NELYGNRFZYNENG-IFMALSPDSA-N 2 2 577.673 4.064 1 0 KIAFLP Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc([C@H]3CCC[NH2+]C3)n(CC[NH2+][C@@H]3CC[NH2+]C3)n2)c1 ZINC000299865106 562894315 /nfs/dbraw/zinc/89/43/15/562894315.db2.gz NELYGNRFZYNENG-RBBKRZOGSA-N 2 2 577.673 4.064 1 0 KIAFLP CC(=O)c1c[nH+]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000473183015 562903541 /nfs/dbraw/zinc/90/35/41/562903541.db2.gz JIDVAKCPPLPVFD-WGSAOQKQSA-N 2 2 513.013 4.425 1 0 KIAFLP COc1ccc(COc2ccc(Cn3c(N)[nH+]c4cc(-c5cnn(CC[NH+]6CCOCC6)c5)ccc43)cc2OC)cc1 ZINC000473210127 562903824 /nfs/dbraw/zinc/90/38/24/562903824.db2.gz DIGOSQFGMNNGOP-UHFFFAOYSA-N 2 2 568.678 4.289 1 0 KIAFLP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473244526 562904884 /nfs/dbraw/zinc/90/48/84/562904884.db2.gz MYZSMHSRYLVWTH-DBAYTGFXSA-N 2 2 572.754 4.243 1 0 KIAFLP C[NH+]1CCC(C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c3nc[nH+]c4N)C2)CC1 ZINC000653781768 562912190 /nfs/dbraw/zinc/91/21/90/562912190.db2.gz UAHGKVLVIDPPFN-JOCHJYFZSA-N 2 2 511.630 4.373 1 0 KIAFLP CCOC(=O)[C@@H]1CC2(C[NH2+]1)CCN(c1cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)[nH+]c(N)n1)CC2 ZINC000653795767 562913117 /nfs/dbraw/zinc/91/31/17/562913117.db2.gz GFKLPMANPQVXBN-WMZHIEFXSA-N 2 2 594.038 4.400 1 0 KIAFLP CCC[N@@H+](CCN1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000653807452 562913720 /nfs/dbraw/zinc/91/37/20/562913720.db2.gz CPIPFYMSMCPKII-FQEVSTJZSA-N 2 2 531.568 4.356 1 0 KIAFLP CCC[N@H+](CCN1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000653807452 562913719 /nfs/dbraw/zinc/91/37/19/562913719.db2.gz CPIPFYMSMCPKII-FQEVSTJZSA-N 2 2 531.568 4.356 1 0 KIAFLP CCC[N@@H+](CCN1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000653807457 562913709 /nfs/dbraw/zinc/91/37/09/562913709.db2.gz CPIPFYMSMCPKII-HXUWFJFHSA-N 2 2 531.568 4.356 1 0 KIAFLP CCC[N@H+](CCN1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000653807457 562913708 /nfs/dbraw/zinc/91/37/08/562913708.db2.gz CPIPFYMSMCPKII-HXUWFJFHSA-N 2 2 531.568 4.356 1 0 KIAFLP C[NH+](C)C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCN(c2[nH+]cnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653841674 562914910 /nfs/dbraw/zinc/91/49/10/562914910.db2.gz VUFXATHBRBCDNJ-UHFFFAOYSA-N 3 2 515.706 4.362 1 0 KIAFLP COCCC[N@H+]1CCCC12CCN(c1c(Cl)c[nH+]cc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653845386 562915148 /nfs/dbraw/zinc/91/51/48/562915148.db2.gz KBJXKLULHUAKPC-UHFFFAOYSA-N 2 2 505.084 4.153 1 0 KIAFLP COCCC[N@@H+]1CCCC12CCN(c1c(Cl)c[nH+]cc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653845386 562915147 /nfs/dbraw/zinc/91/51/47/562915147.db2.gz KBJXKLULHUAKPC-UHFFFAOYSA-N 2 2 505.084 4.153 1 0 KIAFLP O=C1NCCC12CCN(c1c(Cl)c[nH+]cc1-c1ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc1)CC2 ZINC000653847602 562915281 /nfs/dbraw/zinc/91/52/81/562915281.db2.gz AXGBNOWDDQXXDR-UHFFFAOYSA-N 2 2 505.066 4.468 1 0 KIAFLP CC[NH+]1CCN(c2ccc3c(c2)[nH+]c(C)nc3Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)CC1 ZINC000653850702 562915507 /nfs/dbraw/zinc/91/55/07/562915507.db2.gz SZVRXGFRYNFABI-UHFFFAOYSA-N 2 2 501.635 4.349 1 0 KIAFLP COc1cc(-c2nn(CC[NH+]3CCC([NH+]4CCCCC4)CC3)c3nc[nH+]c(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653866745 562916280 /nfs/dbraw/zinc/91/62/80/562916280.db2.gz QQHSTSLAVGUPKP-UHFFFAOYSA-N 3 2 550.708 4.381 1 0 KIAFLP COc1cc(-c2nn(CC[NH+]3CCC([NH+]4CCCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653866745 562916279 /nfs/dbraw/zinc/91/62/79/562916279.db2.gz QQHSTSLAVGUPKP-UHFFFAOYSA-N 2 2 550.708 4.381 1 0 KIAFLP COc1cc2[nH+]c(NCCC3CCOCC3)nc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653870692 562916368 /nfs/dbraw/zinc/91/63/68/562916368.db2.gz HZUJMUXWWISUFV-UHFFFAOYSA-N 2 2 514.602 4.094 1 0 KIAFLP COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]C3CC[NH+](Cc5ccccc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000003943679 561689648 /nfs/dbraw/zinc/68/96/48/561689648.db2.gz GQMFUALQPLOONU-QIXIFPRPSA-N 2 2 572.658 4.368 3 0 KIAFLP