smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@@]31CC[C@@]2(C[C@@H]3c4c2c(O)c(OC)cc4CC[N@@H+]3C)C[C@@H]1OC ZINC000001618657 561677815 /nfs/dbraw/zinc/67/78/15/561677815.db2.gz ZEQJFLRBPFWVDX-RYXXLZIISA-N 2 1 533.669 4.310 1 0 KIAFMP O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)sc3cc(CCCC[NH+]4CCOCC4)ccc32)CC1 ZINC000003808341 561682707 /nfs/dbraw/zinc/68/27/07/561682707.db2.gz NSPAPURIGJZYJN-UHFFFAOYSA-N 2 1 525.690 4.452 1 0 KIAFMP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4 ZINC000003914584 561684546 /nfs/dbraw/zinc/68/45/46/561684546.db2.gz HDKIEIZPXNNDMH-IWRYZOJTSA-N 2 1 675.826 4.127 1 0 KIAFMP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[N@H+]2CC1CC1)[C@H]5O4 ZINC000003914584 561684544 /nfs/dbraw/zinc/68/45/44/561684544.db2.gz HDKIEIZPXNNDMH-IWRYZOJTSA-N 2 1 675.826 4.127 1 0 KIAFMP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CC[NH+]2CC1CC1)[C@H]5O4 ZINC000003914584 561684542 /nfs/dbraw/zinc/68/45/42/561684542.db2.gz HDKIEIZPXNNDMH-IWRYZOJTSA-N 2 1 675.826 4.127 1 0 KIAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCC([NH+]5CCCCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000003930382 561687261 /nfs/dbraw/zinc/68/72/61/561687261.db2.gz OVENJMWSDFPGOZ-GRGSOZOFSA-N 2 1 578.706 4.497 1 0 KIAFMP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@@]31CC[C@@]2(C[C@H]3c4c2c(O)c(OC)cc4CC[N@@H+]3C)C[C@@H]1OC ZINC000005882768 561699792 /nfs/dbraw/zinc/69/97/92/561699792.db2.gz ZEQJFLRBPFWVDX-ZBUNTEAJSA-N 2 1 533.669 4.310 1 0 KIAFMP C[NH+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)C[N@H+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709882 /nfs/dbraw/zinc/70/98/82/561709882.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 2 1 533.620 4.361 1 0 KIAFMP C[NH+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)C[N@@H+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709881 /nfs/dbraw/zinc/70/98/81/561709881.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 2 1 533.620 4.361 1 0 KIAFMP C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)C[NH+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709880 /nfs/dbraw/zinc/70/98/80/561709880.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 2 1 533.620 4.361 1 0 KIAFMP C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)C[NH+]2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709879 /nfs/dbraw/zinc/70/98/79/561709879.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 2 1 533.620 4.361 1 0 KIAFMP CN(CCCc1ccc(Cl)cc1Cl)c1nc(N2CC[NH2+]CC2)nc(NCCc2ccc(O)cc2)[nH+]1 ZINC000013492573 561716432 /nfs/dbraw/zinc/71/64/32/561716432.db2.gz ZDPFRXYHHTUZDV-UHFFFAOYSA-N 2 1 516.477 4.017 1 0 KIAFMP C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)[nH+]c(N(C)CCCc3ccc(Cl)cc3)n2)C[C@H](C)[NH2+]1 ZINC000013492577 561716415 /nfs/dbraw/zinc/71/64/15/561716415.db2.gz CKXPOIJBYUMJIU-BGYRXZFFSA-N 2 1 510.086 4.141 1 0 KIAFMP CCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000013493035 561716507 /nfs/dbraw/zinc/71/65/07/561716507.db2.gz UMKFEBPIMJKDEA-CTZUUEIXSA-N 2 1 512.654 4.092 1 0 KIAFMP Cn1c2cc[nH+]c(NCc3ccccn3)c2c2ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c21 ZINC000013559675 561719564 /nfs/dbraw/zinc/71/95/64/561719564.db2.gz OCIIEYOWWOUETK-UHFFFAOYSA-N 2 1 514.584 4.167 1 0 KIAFMP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccccc3C[NH+](C)C)nc(N)c2cc1OC ZINC000013782113 561729647 /nfs/dbraw/zinc/72/96/47/561729647.db2.gz PENQVTYQBISCOC-UHFFFAOYSA-N 2 1 508.667 4.060 1 0 KIAFMP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3cccc(C[NH+](C)C)c3)nc(N)c2cc1OC ZINC000013782116 561729660 /nfs/dbraw/zinc/72/96/60/561729660.db2.gz JSMDVVKGKQQXSH-UHFFFAOYSA-N 2 1 508.667 4.060 1 0 KIAFMP COc1cc2[nH+]c(N(C)CCCCCCN(C)C(=O)c3ccc(C[NH+](C)C)cc3)nc(N)c2cc1OC ZINC000013782118 561729621 /nfs/dbraw/zinc/72/96/21/561729621.db2.gz YOZQWOACJYQHRK-UHFFFAOYSA-N 2 1 508.667 4.060 1 0 KIAFMP CC(C)[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000014986453 561752808 /nfs/dbraw/zinc/75/28/08/561752808.db2.gz WORVRXHLXJLCDN-WNCULLNHSA-N 2 1 537.715 4.259 1 0 KIAFMP O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1Cc1ccc(Cl)cc1 ZINC000023362168 561762123 /nfs/dbraw/zinc/76/21/23/561762123.db2.gz LETHYMIVWFEDSJ-KYJUHHDHSA-N 2 1 532.132 4.291 1 0 KIAFMP CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2cc[nH+]c2C)cc1 ZINC000026146570 561767160 /nfs/dbraw/zinc/76/71/60/561767160.db2.gz JTZMIOVZMFHFEC-CEUYOYMZSA-N 2 1 638.898 4.276 1 0 KIAFMP CCC[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC1CCCCC1)c1ccc(CCCCn2cc[nH+]c2C)cc1 ZINC000026146579 561767119 /nfs/dbraw/zinc/76/71/19/561767119.db2.gz JTZMIOVZMFHFEC-ZDCRTTOTSA-N 2 1 638.898 4.276 1 0 KIAFMP COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(CCCCCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026260784 561775433 /nfs/dbraw/zinc/77/54/33/561775433.db2.gz BMFAPCULDYLMPQ-UHFFFAOYSA-N 2 1 618.823 4.234 1 0 KIAFMP O=S(=O)(/C=C/c1ccccc1)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000026576201 561799946 /nfs/dbraw/zinc/79/99/46/561799946.db2.gz SESKVQMFQQJZPS-SRZZPIQSSA-N 2 1 528.122 4.288 1 0 KIAFMP COc1ccc(Br)cc1S(=O)(=O)NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000026577131 561801099 /nfs/dbraw/zinc/80/10/99/561801099.db2.gz GAXLRXULFOLZRA-UHFFFAOYSA-N 2 1 611.006 4.448 1 0 KIAFMP O=S(=O)(NCCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)c1ccc(Cl)cc1 ZINC000026577984 561802613 /nfs/dbraw/zinc/80/26/13/561802613.db2.gz KUCBABYXIBSDJB-UHFFFAOYSA-N 2 1 536.529 4.330 1 0 KIAFMP O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@H]3CCO)ccc1-2 ZINC000026579133 561804229 /nfs/dbraw/zinc/80/42/29/561804229.db2.gz WOFJHYYVUMFSQF-WMPKNSHKSA-N 2 1 576.738 4.029 1 0 KIAFMP O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@H]3CCO)ccc1-2 ZINC000026579133 561804226 /nfs/dbraw/zinc/80/42/26/561804226.db2.gz WOFJHYYVUMFSQF-WMPKNSHKSA-N 2 1 576.738 4.029 1 0 KIAFMP O=C(CC[NH+]1CCCC[C@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)ccc1-2 ZINC000026579133 561804224 /nfs/dbraw/zinc/80/42/24/561804224.db2.gz WOFJHYYVUMFSQF-WMPKNSHKSA-N 2 1 576.738 4.029 1 0 KIAFMP O=C(CC[NH+]1CCCC[C@@H]1CCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3CCO)ccc1-2 ZINC000026579134 561804181 /nfs/dbraw/zinc/80/41/81/561804181.db2.gz WOFJHYYVUMFSQF-CLJLJLNGSA-N 2 1 576.738 4.029 1 0 KIAFMP CSC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026674663 561813598 /nfs/dbraw/zinc/81/35/98/561813598.db2.gz GAGHIAAADSEPRP-NZHOUOPXSA-N 2 1 502.640 4.282 1 0 KIAFMP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH+](C)CC2)c(C(C)C)c1 ZINC000026846481 561826514 /nfs/dbraw/zinc/82/65/14/561826514.db2.gz CTQVZKICLKJBDP-MHZLTWQESA-N 2 1 555.789 4.004 1 0 KIAFMP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CC[NH+](C)CC2)c(C(C)C)c1 ZINC000026846486 561826527 /nfs/dbraw/zinc/82/65/27/561826527.db2.gz CTQVZKICLKJBDP-HHHXNRCGSA-N 2 1 555.789 4.004 1 0 KIAFMP CCCC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026954084 561829086 /nfs/dbraw/zinc/82/90/86/561829086.db2.gz UMPFOWXMGXYTIF-DZVDWBIPSA-N 2 1 526.681 4.482 1 0 KIAFMP CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998194 561833719 /nfs/dbraw/zinc/83/37/19/561833719.db2.gz YNIIFYQWNMHZBK-SJHFQCKASA-N 2 1 658.869 4.466 1 0 KIAFMP CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998199 561833651 /nfs/dbraw/zinc/83/36/51/561833651.db2.gz YNIIFYQWNMHZBK-FRJUPVQCSA-N 2 1 658.869 4.466 1 0 KIAFMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027415398 561857079 /nfs/dbraw/zinc/85/70/79/561857079.db2.gz KFRZKOUCOUFIIC-WYFBSPMASA-N 2 1 661.844 4.411 1 0 KIAFMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000027415404 561857084 /nfs/dbraw/zinc/85/70/84/561857084.db2.gz KFRZKOUCOUFIIC-LFAHRRIWSA-N 2 1 661.844 4.411 1 0 KIAFMP Cc1nc2cc3c4c(cccc4C(=O)N(CCC[NH2+]CC[NH2+]CCCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656453 561877646 /nfs/dbraw/zinc/87/76/46/561877646.db2.gz KVWSMKXPHZIFKL-UHFFFAOYSA-N 2 1 642.720 4.214 1 0 KIAFMP CC[NH+](CC)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027855227 561886493 /nfs/dbraw/zinc/88/64/93/561886493.db2.gz ZVLYIDBICZMRIN-FIRIVFDPSA-N 2 1 588.196 4.272 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH+]2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027868232 561887981 /nfs/dbraw/zinc/88/79/81/561887981.db2.gz SOBBJOLUFXBEDA-ROJLCIKYSA-N 2 1 600.207 4.417 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH+]2CCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027868242 561888005 /nfs/dbraw/zinc/88/80/05/561888005.db2.gz JOOPNFJVFRUCMV-FIRIVFDPSA-N 2 1 586.180 4.026 1 0 KIAFMP C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@@H]3[C@H](C2)[C@@]41CC[N@@H+]3C ZINC000027897511 561890586 /nfs/dbraw/zinc/89/05/86/561890586.db2.gz FQDLQNNQZHIEQC-MSLLCSOGSA-N 2 1 549.671 4.034 1 0 KIAFMP COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(OC)c4c3[C@@]1(CC[N@@H+]2CC1CC1)[C@H]5O4 ZINC000027899060 561890671 /nfs/dbraw/zinc/89/06/71/561890671.db2.gz JRCUWGJIFLJMLB-CVQRZJKKSA-N 2 1 689.853 4.430 1 0 KIAFMP COC(=O)CN(c1ccc2c(c1)nc(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028005873 561895475 /nfs/dbraw/zinc/89/54/75/561895475.db2.gz PDTSGHYUFYPPDH-UHFFFAOYSA-N 2 1 525.657 4.271 1 0 KIAFMP COC(=O)CN(c1ccc2[nH+]c(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028017021 561897523 /nfs/dbraw/zinc/89/75/23/561897523.db2.gz RFQUOMWDNVTIQF-UHFFFAOYSA-N 3 1 525.657 4.271 1 0 KIAFMP CN(CC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C(N)=[NH2+] ZINC000028094890 561900617 /nfs/dbraw/zinc/90/06/17/561900617.db2.gz UGACPOVJDYQPKA-UHFFFAOYSA-N 2 1 528.444 4.150 1 0 KIAFMP CN(CC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)C(N)=[NH2+] ZINC000028094890 561900616 /nfs/dbraw/zinc/90/06/16/561900616.db2.gz UGACPOVJDYQPKA-UHFFFAOYSA-N 2 1 528.444 4.150 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNc2cc[nH+]cc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028351754 561915551 /nfs/dbraw/zinc/91/55/51/561915551.db2.gz UJMYWFUCFYSTOT-ROJLCIKYSA-N 2 1 609.174 4.438 1 0 KIAFMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028372985 561918665 /nfs/dbraw/zinc/91/86/65/561918665.db2.gz RRSAQPDQQFYIRY-ZCHFYVNCSA-N 3 1 643.276 4.351 1 0 KIAFMP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028372993 561918765 /nfs/dbraw/zinc/91/87/65/561918765.db2.gz RRSAQPDQQFYIRY-WDMAKNEGSA-N 3 1 643.276 4.351 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CN2CCC([NH+]3CCCC3)CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028373422 561918711 /nfs/dbraw/zinc/91/87/11/561918711.db2.gz QVIOVFPHSRHZBE-LQFQNGICSA-N 2 1 669.314 4.491 1 0 KIAFMP C[C@@H]([NH2+]C1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374228 561918922 /nfs/dbraw/zinc/91/89/22/561918922.db2.gz NHYYWMLPJGZTLX-SNKHRSMISA-N 2 1 586.180 4.244 1 0 KIAFMP C[C@H]([NH2+]C1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028374236 561918971 /nfs/dbraw/zinc/91/89/71/561918971.db2.gz NHYYWMLPJGZTLX-WQBWHMICSA-N 2 1 586.180 4.244 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]C2CCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028382576 561920357 /nfs/dbraw/zinc/92/03/57/561920357.db2.gz NAWJMOMXCKISGL-ROJLCIKYSA-N 2 1 600.207 4.463 1 0 KIAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028393490 561922804 /nfs/dbraw/zinc/92/28/04/561922804.db2.gz CGKUTBSWLCOVOW-AREMUKBSSA-N 2 1 623.025 4.300 1 0 KIAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1 ZINC000028394003 561922782 /nfs/dbraw/zinc/92/27/82/561922782.db2.gz GTOCQEZVOHHFJA-AREMUKBSSA-N 2 1 667.476 4.409 1 0 KIAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccc(Cl)cc3)CCCCC2)CC1 ZINC000028458084 561924254 /nfs/dbraw/zinc/92/42/54/561924254.db2.gz TZYMHANBLBRGLT-HHHXNRCGSA-N 2 1 637.052 4.229 1 0 KIAFMP CN(C)c1ccc(NC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028461605 561925372 /nfs/dbraw/zinc/92/53/72/561925372.db2.gz UJMODYFKSLVIIE-MUUNZHRXSA-N 2 1 646.664 4.104 1 0 KIAFMP COc1ccc(NC(=O)NCC2([NH+]3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CC[NH3+])CC3)CCCCC2)cc1 ZINC000028462318 561925521 /nfs/dbraw/zinc/92/55/21/561925521.db2.gz CSHVYARKHCTISE-HHHXNRCGSA-N 2 1 633.621 4.047 1 0 KIAFMP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C2(CNC(=O)Nc3ccc(F)cc3)CCCCC2)CC1 ZINC000028462664 561925680 /nfs/dbraw/zinc/92/56/80/561925680.db2.gz HUKAGJLKDQIYKN-AREMUKBSSA-N 2 1 621.585 4.177 1 0 KIAFMP CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470162 561926861 /nfs/dbraw/zinc/92/68/61/561926861.db2.gz ACPARYNPKYAYQD-AHKZPQOWSA-N 2 1 534.701 4.299 1 0 KIAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470176 561926886 /nfs/dbraw/zinc/92/68/86/561926886.db2.gz UEWHXLVSSMYLGO-LSYYVWMOSA-N 2 1 533.717 4.034 1 0 KIAFMP CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470527 561926815 /nfs/dbraw/zinc/92/68/15/561926815.db2.gz CNVZZZPLGYMSFV-NVQXNPDNSA-N 2 1 549.543 4.469 1 0 KIAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028473205 561927279 /nfs/dbraw/zinc/92/72/79/561927279.db2.gz ACPARYNPKYAYQD-BDYUSTAISA-N 2 1 534.701 4.299 1 0 KIAFMP CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476108 561928118 /nfs/dbraw/zinc/92/81/18/561928118.db2.gz XFRNCXGSJUADFM-BDYUSTAISA-N 2 1 573.576 4.315 1 0 KIAFMP CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476314 561928195 /nfs/dbraw/zinc/92/81/95/561928195.db2.gz ACPARYNPKYAYQD-VPUSJEBWSA-N 2 1 534.701 4.299 1 0 KIAFMP CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476871 561928423 /nfs/dbraw/zinc/92/84/23/561928423.db2.gz ASRPYBALJOUGHC-YZNIXAGQSA-N 2 1 545.728 4.101 1 0 KIAFMP [NH3+]C1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)Cc2ccccc2C1 ZINC000028529162 561933666 /nfs/dbraw/zinc/93/36/66/561933666.db2.gz CKBGKCJLQOKMJF-MGBGTMOVSA-N 2 1 656.271 4.070 1 0 KIAFMP [NH3+][C@@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc2C1 ZINC000028529202 561933889 /nfs/dbraw/zinc/93/38/89/561933889.db2.gz FMKLXIOJLHFAAK-BYHBGFKFSA-N 2 1 670.298 4.460 1 0 KIAFMP [NH3+][C@]1(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CC[NH+](C3(CNC(=O)Cc4ccccc4)CCCCC3)CC2)CCc2ccccc2C1 ZINC000028529204 561933930 /nfs/dbraw/zinc/93/39/30/561933930.db2.gz FMKLXIOJLHFAAK-FXBDCZLJSA-N 2 1 670.298 4.460 1 0 KIAFMP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529280 561933896 /nfs/dbraw/zinc/93/38/96/561933896.db2.gz NKTQNWJIUFSESY-JHOUSYSJSA-N 2 1 644.260 4.143 1 0 KIAFMP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529282 561933919 /nfs/dbraw/zinc/93/39/19/561933919.db2.gz NKTQNWJIUFSESY-CZNDPXEESA-N 2 1 644.260 4.143 1 0 KIAFMP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCC[NH2+]CCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641941 561943380 /nfs/dbraw/zinc/94/33/80/561943380.db2.gz VTLDSDBUCPUKHT-UHFFFAOYSA-N 3 1 605.739 4.214 1 0 KIAFMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3[nH]nc(NC(=O)c4ccccc4Cl)c3Br)CC2)CC1 ZINC000028712006 561952697 /nfs/dbraw/zinc/95/26/97/561952697.db2.gz NCJLGLYHCSXTFV-UHFFFAOYSA-N 2 1 551.917 4.004 1 0 KIAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN1CCN(C[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714044 561954384 /nfs/dbraw/zinc/95/43/84/561954384.db2.gz RVRKPKDBCYMWDR-BIWJUTDKSA-N 2 1 636.885 4.198 1 0 KIAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN1CCN(C[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714044 561954381 /nfs/dbraw/zinc/95/43/81/561954381.db2.gz RVRKPKDBCYMWDR-BIWJUTDKSA-N 2 1 636.885 4.198 1 0 KIAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CN1CCN(CC[N@@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714044 561954380 /nfs/dbraw/zinc/95/43/80/561954380.db2.gz RVRKPKDBCYMWDR-BIWJUTDKSA-N 2 1 636.885 4.198 1 0 KIAFMP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(C)CCN(C)CC[N@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714071 561954726 /nfs/dbraw/zinc/95/47/26/561954726.db2.gz UWPWFSGFMDDZFL-ODEIBIGMSA-N 2 1 652.928 4.486 1 0 KIAFMP COCC(COC)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccc(C)cc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824113 561968981 /nfs/dbraw/zinc/96/89/81/561968981.db2.gz VKZBGBOJTIGWCF-LXQNXJGFSA-N 2 1 557.179 4.330 1 0 KIAFMP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825137 561970320 /nfs/dbraw/zinc/97/03/20/561970320.db2.gz NMYTVJXUWUGBBX-SDLCRUBJSA-N 2 1 541.615 4.171 1 0 KIAFMP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825140 561970367 /nfs/dbraw/zinc/97/03/67/561970367.db2.gz NMYTVJXUWUGBBX-HKTKNQGOSA-N 2 1 541.615 4.171 1 0 KIAFMP [NH3+]Cc1ncc([C@@]23C[C@@H]2[C@@H](N(CCC[N@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825147 561970348 /nfs/dbraw/zinc/97/03/48/561970348.db2.gz NMYTVJXUWUGBBX-RUSORYGASA-N 2 1 541.615 4.171 1 0 KIAFMP C[N@H+]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cn3)c(OCCC[NH3+])c2)CC1 ZINC000028825296 561970812 /nfs/dbraw/zinc/97/08/12/561970812.db2.gz LHVUKMHQXOQZDT-UHFFFAOYSA-N 2 1 537.064 4.109 1 0 KIAFMP CCc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864112 561972546 /nfs/dbraw/zinc/97/25/46/561972546.db2.gz FVCSRWSONCYMPB-UHFFFAOYSA-N 2 1 573.688 4.027 1 0 KIAFMP CCc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864112 561972544 /nfs/dbraw/zinc/97/25/44/561972544.db2.gz FVCSRWSONCYMPB-UHFFFAOYSA-N 2 1 573.688 4.027 1 0 KIAFMP CCc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864112 561972543 /nfs/dbraw/zinc/97/25/43/561972543.db2.gz FVCSRWSONCYMPB-UHFFFAOYSA-N 2 1 573.688 4.027 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972466 /nfs/dbraw/zinc/97/24/66/561972466.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972465 /nfs/dbraw/zinc/97/24/65/561972465.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972464 /nfs/dbraw/zinc/97/24/64/561972464.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972463 /nfs/dbraw/zinc/97/24/63/561972463.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP CSc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972596 /nfs/dbraw/zinc/97/25/96/561972596.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 2 1 591.728 4.186 1 0 KIAFMP CSc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972594 /nfs/dbraw/zinc/97/25/94/561972594.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 2 1 591.728 4.186 1 0 KIAFMP CSc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972592 /nfs/dbraw/zinc/97/25/92/561972592.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 2 1 591.728 4.186 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972643 /nfs/dbraw/zinc/97/26/43/561972643.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 2 1 613.631 4.483 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972642 /nfs/dbraw/zinc/97/26/42/561972642.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 2 1 613.631 4.483 1 0 KIAFMP C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972640 /nfs/dbraw/zinc/97/26/40/561972640.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 2 1 613.631 4.483 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000028864132 561972526 /nfs/dbraw/zinc/97/25/26/561972526.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[NH+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000028864132 561972524 /nfs/dbraw/zinc/97/25/24/561972524.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1cccc(Cl)c1)C2 ZINC000028864132 561972522 /nfs/dbraw/zinc/97/25/22/561972522.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1cccc(Cl)c1)C2 ZINC000028864132 561972521 /nfs/dbraw/zinc/97/25/21/561972521.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 2 1 580.079 4.118 1 0 KIAFMP Cc1cc(Cl)ccc1C[N@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972497 /nfs/dbraw/zinc/97/24/97/561972497.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 2 1 594.106 4.426 1 0 KIAFMP Cc1cc(Cl)ccc1C[N@@H+]1CCc2c(c(=O)n(CC[NH+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972496 /nfs/dbraw/zinc/97/24/96/561972496.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 2 1 594.106 4.426 1 0 KIAFMP Cc1cc(Cl)ccc1C[NH+]1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972494 /nfs/dbraw/zinc/97/24/94/561972494.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 2 1 594.106 4.426 1 0 KIAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864144 561972629 /nfs/dbraw/zinc/97/26/29/561972629.db2.gz LSOURRCAOWIPMJ-UHFFFAOYSA-N 2 1 573.688 4.081 1 0 KIAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864144 561972627 /nfs/dbraw/zinc/97/26/27/561972627.db2.gz LSOURRCAOWIPMJ-UHFFFAOYSA-N 2 1 573.688 4.081 1 0 KIAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864144 561972625 /nfs/dbraw/zinc/97/26/25/561972625.db2.gz LSOURRCAOWIPMJ-UHFFFAOYSA-N 2 1 573.688 4.081 1 0 KIAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864169 561972767 /nfs/dbraw/zinc/97/27/67/561972767.db2.gz MTAHMKQTFODPEX-UHFFFAOYSA-N 2 1 524.656 4.099 1 0 KIAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864169 561972766 /nfs/dbraw/zinc/97/27/66/561972766.db2.gz MTAHMKQTFODPEX-UHFFFAOYSA-N 2 1 524.656 4.099 1 0 KIAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864169 561972765 /nfs/dbraw/zinc/97/27/65/561972765.db2.gz MTAHMKQTFODPEX-UHFFFAOYSA-N 2 1 524.656 4.099 1 0 KIAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CC[NH+](C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972920 /nfs/dbraw/zinc/97/29/20/561972920.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 2 1 559.661 4.039 1 0 KIAFMP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972919 /nfs/dbraw/zinc/97/29/19/561972919.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 2 1 559.661 4.039 1 0 KIAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@H+](C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972917 /nfs/dbraw/zinc/97/29/17/561972917.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 2 1 559.661 4.039 1 0 KIAFMP Cc1ccc(C[NH+]2CCc3c(c(=O)n(CC[N@@H+](C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972916 /nfs/dbraw/zinc/97/29/16/561972916.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 2 1 559.661 4.039 1 0 KIAFMP O=C(CC[NH+]1CCCCC1)Nc1ccc(C[NH+]2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F ZINC000028884236 561977476 /nfs/dbraw/zinc/97/74/76/561977476.db2.gz PXIGCJZSDMJLTL-UHFFFAOYSA-N 2 1 552.622 4.280 1 0 KIAFMP COC[C@@H](C)[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953560 561982457 /nfs/dbraw/zinc/98/24/57/561982457.db2.gz LLYPXTFGGKKFPO-MVNQZMKCSA-N 2 1 519.174 4.235 1 0 KIAFMP COC[C@H](C)[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953562 561982542 /nfs/dbraw/zinc/98/25/42/561982542.db2.gz LLYPXTFGGKKFPO-RNJDCESWSA-N 2 1 519.174 4.235 1 0 KIAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4c[nH]cn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982533 /nfs/dbraw/zinc/98/25/33/561982533.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 2 1 527.157 4.124 1 0 KIAFMP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4c[nH]cn4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982532 /nfs/dbraw/zinc/98/25/32/561982532.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 2 1 527.157 4.124 1 0 KIAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cnc[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953756 561982531 /nfs/dbraw/zinc/98/25/31/561982531.db2.gz JDKQYFYELFSWDK-SXOMAYOGSA-N 2 1 527.157 4.124 1 0 KIAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ncc[nH]4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953763 561982519 /nfs/dbraw/zinc/98/25/19/561982519.db2.gz IPQDSHGUTBGRCL-FTJBHMTQSA-N 2 1 527.157 4.124 1 0 KIAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4nccn4C)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953770 561982546 /nfs/dbraw/zinc/98/25/46/561982546.db2.gz GDPGGMHYTFBSNL-SXOMAYOGSA-N 2 1 541.184 4.134 1 0 KIAFMP CC(C)[N@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cncnc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953805 561982464 /nfs/dbraw/zinc/98/24/64/561982464.db2.gz UVVSRJZXMBBDIT-IZLXSDGUSA-N 2 1 539.168 4.191 1 0 KIAFMP COCC[NH+](C)Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959713 561983900 /nfs/dbraw/zinc/98/39/00/561983900.db2.gz PXQQGBGLLVYWAF-RRPNLBNLSA-N 2 1 513.126 4.191 1 0 KIAFMP COCC[NH+](C)Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959713 561983899 /nfs/dbraw/zinc/98/38/99/561983899.db2.gz PXQQGBGLLVYWAF-RRPNLBNLSA-N 2 1 513.126 4.191 1 0 KIAFMP COCC[N@@H+](C)Cc1ccccc1N1CCN(C(=O)[C@@H]2C[NH+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959713 561983898 /nfs/dbraw/zinc/98/38/98/561983898.db2.gz PXQQGBGLLVYWAF-RRPNLBNLSA-N 2 1 513.126 4.191 1 0 KIAFMP CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCC([NH3+])CC3)CC2)C1 ZINC000028959733 561983890 /nfs/dbraw/zinc/98/38/90/561983890.db2.gz UPCSXJYYAWJGTD-WUFINQPMSA-N 3 1 524.153 4.036 1 0 KIAFMP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCC([NH3+])CC3)CC2)C1 ZINC000028959733 561983889 /nfs/dbraw/zinc/98/38/89/561983889.db2.gz UPCSXJYYAWJGTD-WUFINQPMSA-N 3 1 524.153 4.036 1 0 KIAFMP CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CN3CCC([NH3+])CC3)CC2)C1 ZINC000028959733 561983888 /nfs/dbraw/zinc/98/38/88/561983888.db2.gz UPCSXJYYAWJGTD-WUFINQPMSA-N 2 1 524.153 4.036 1 0 KIAFMP CC(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(=O)CC[NH3+] ZINC000028959814 561983940 /nfs/dbraw/zinc/98/39/40/561983940.db2.gz UTAJQDGTADLYIO-URLMMPGGSA-N 2 1 568.206 4.446 1 0 KIAFMP C[NH2+]CC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000028960088 561983952 /nfs/dbraw/zinc/98/39/52/561983952.db2.gz GTTORKQZYXUEKC-HFASVGIHSA-N 2 1 572.169 4.284 1 0 KIAFMP CC(C)[C@H](NC(=O)[C@@H](C)[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960095 561983942 /nfs/dbraw/zinc/98/39/42/561983942.db2.gz QNTAFNXCHAAUJZ-DQFIBICCSA-N 2 1 572.169 4.412 1 0 KIAFMP CC(C)[C@H](NC(=O)CC[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960099 561983892 /nfs/dbraw/zinc/98/38/92/561983892.db2.gz SXZKHCLLCRXMHC-HFASVGIHSA-N 2 1 572.169 4.414 1 0 KIAFMP Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN2CC[NH+](C[C@@H](O)CN3CC[NH2+]CC3)CC2)c1 ZINC000028961545 561984362 /nfs/dbraw/zinc/98/43/62/561984362.db2.gz AGZBTOKWUUPEBM-DSNFFHCTSA-N 2 1 646.946 4.370 1 0 KIAFMP Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CCN2CC[NH+](C[C@H](O)CN3CC[NH2+]CC3)CC2)c1 ZINC000028961552 561984366 /nfs/dbraw/zinc/98/43/66/561984366.db2.gz AGZBTOKWUUPEBM-QGVFFIPKSA-N 2 1 646.946 4.370 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986613 /nfs/dbraw/zinc/98/66/13/561986613.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH+](C)CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986611 /nfs/dbraw/zinc/98/66/11/561986611.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@@H+](C)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986609 /nfs/dbraw/zinc/98/66/09/561986609.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2C[N@H+](C)CC[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986607 /nfs/dbraw/zinc/98/66/07/561986607.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP C[NH2+][C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(C)cc1C)C2)c1ccccc1 ZINC000029060330 561995662 /nfs/dbraw/zinc/99/56/62/561995662.db2.gz STHQVHUFYBTWHL-LJAQVGFWSA-N 2 1 544.646 4.472 1 0 KIAFMP C[NH2+][C@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(C)cc1C)C2)c1ccccc1 ZINC000029060333 561995643 /nfs/dbraw/zinc/99/56/43/561995643.db2.gz STHQVHUFYBTWHL-GDLZYMKVSA-N 2 1 544.646 4.472 1 0 KIAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@@H]4[NH2+]CCc5ccccc54)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000029060462 561995660 /nfs/dbraw/zinc/99/56/60/561995660.db2.gz HJNWXNGNDDFENS-PMERELPUSA-N 2 1 556.657 4.399 1 0 KIAFMP Cc1ccc(C[N@H+]2CCc3c(c(=O)n(C[C@H]4[NH2+]CCc5ccccc54)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000029060467 561995623 /nfs/dbraw/zinc/99/56/23/561995623.db2.gz HJNWXNGNDDFENS-SSEXGKCCSA-N 2 1 556.657 4.399 1 0 KIAFMP CC(C)C[NH+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995629 /nfs/dbraw/zinc/99/56/29/561995629.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 2 1 580.598 4.381 1 0 KIAFMP CC(C)C[NH+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995628 /nfs/dbraw/zinc/99/56/28/561995628.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 2 1 580.598 4.381 1 0 KIAFMP CC(C)C[N@@H+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995627 /nfs/dbraw/zinc/99/56/27/561995627.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 2 1 580.598 4.381 1 0 KIAFMP COc1cccc([C@@H]2C[N@H+](C(C)C)C[C@H]2C(=O)N2CCN(c3c(F)cccc3[C@@H](NC(=O)CC[NH+](C)C)C(C)C)CC2)c1 ZINC000029130593 562002738 /nfs/dbraw/zinc/00/27/38/562002738.db2.gz KEVDDJINAKGHQN-LBRLCBGXSA-N 2 1 595.804 4.372 1 0 KIAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)c1 ZINC000029130808 562002936 /nfs/dbraw/zinc/00/29/36/562002936.db2.gz SOSFYACMVJVEJQ-XBDRXADTSA-N 2 1 610.243 4.352 1 0 KIAFMP C[NH2+]CC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000029130884 562002913 /nfs/dbraw/zinc/00/29/13/562002913.db2.gz AFYRPFJWRJINKI-VATRQPNGSA-N 2 1 610.243 4.224 1 0 KIAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)[C@@H](C)[NH3+])C(C)C)c1 ZINC000029130887 562002828 /nfs/dbraw/zinc/00/28/28/562002828.db2.gz SOSFYACMVJVEJQ-NPAPAHQKSA-N 2 1 610.243 4.352 1 0 KIAFMP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH3+])C(C)C)c1 ZINC000029130976 562002803 /nfs/dbraw/zinc/00/28/03/562002803.db2.gz JCRLKKFCFDVDDV-VATRQPNGSA-N 2 1 610.243 4.354 1 0 KIAFMP CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@@H]([NH3+])CCCC[NH3+])c1=O ZINC000029225836 562008118 /nfs/dbraw/zinc/00/81/18/562008118.db2.gz FFIDGEBJANARRW-NRFANRHFSA-N 2 1 531.440 4.086 1 0 KIAFMP CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)[C@H]([NH3+])CCCC[NH3+])c1=O ZINC000029225842 562008098 /nfs/dbraw/zinc/00/80/98/562008098.db2.gz FFIDGEBJANARRW-OAQYLSRUSA-N 2 1 531.440 4.086 1 0 KIAFMP CCCC[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252980 562011335 /nfs/dbraw/zinc/01/13/35/562011335.db2.gz QUHICZCAIBKQSC-YAUKWVCOSA-N 2 1 663.815 4.214 1 0 KIAFMP CCCC[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252980 562011333 /nfs/dbraw/zinc/01/13/33/562011333.db2.gz QUHICZCAIBKQSC-YAUKWVCOSA-N 2 1 663.815 4.214 1 0 KIAFMP CCCC[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000029252980 562011330 /nfs/dbraw/zinc/01/13/30/562011330.db2.gz QUHICZCAIBKQSC-YAUKWVCOSA-N 2 1 663.815 4.214 1 0 KIAFMP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCNC(=O)[C@H]2C[N@@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389972 562017119 /nfs/dbraw/zinc/01/71/19/562017119.db2.gz YXUHGNSTVHJZTH-XDZXDJIYSA-N 2 1 545.555 4.387 1 0 KIAFMP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCNC(=O)[C@@H]2C[N@@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000029389978 562017128 /nfs/dbraw/zinc/01/71/28/562017128.db2.gz YXUHGNSTVHJZTH-GWMMUDDPSA-N 2 1 545.555 4.387 1 0 KIAFMP C[N@@H+](CCCn1c(N)nc2cc(Br)ccc21)CCCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000029399515 562019331 /nfs/dbraw/zinc/01/93/31/562019331.db2.gz CTFOREKWTRVZJK-UHFFFAOYSA-N 2 1 535.288 4.488 1 0 KIAFMP C[N@H+](CCCn1c(N)nc2cc(Br)ccc21)CCCn1c(N)[nH+]c2cc(Br)ccc21 ZINC000029399515 562019329 /nfs/dbraw/zinc/01/93/29/562019329.db2.gz CTFOREKWTRVZJK-UHFFFAOYSA-N 2 1 535.288 4.488 1 0 KIAFMP NC(=[NH2+])NCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403551 562020281 /nfs/dbraw/zinc/02/02/81/562020281.db2.gz AWNNIIMNTPSXSF-UHFFFAOYSA-N 2 1 565.509 4.118 1 0 KIAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCC([NH+]5CCCCC5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029412183 562021913 /nfs/dbraw/zinc/02/19/13/562021913.db2.gz OVENJMWSDFPGOZ-IYELWZHHSA-N 2 1 578.706 4.497 1 0 KIAFMP CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000029480907 562027314 /nfs/dbraw/zinc/02/73/14/562027314.db2.gz KRDFQZRYJYVLNB-CONSDPRKSA-N 2 1 550.788 4.460 1 0 KIAFMP CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000029480907 562027313 /nfs/dbraw/zinc/02/73/13/562027313.db2.gz KRDFQZRYJYVLNB-CONSDPRKSA-N 2 1 550.788 4.460 1 0 KIAFMP COc1cc(C(=O)NC(=O)[C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553205 562031604 /nfs/dbraw/zinc/03/16/04/562031604.db2.gz GEYPSQZHXMNWIM-VSGBNLITSA-N 2 1 746.858 4.075 1 0 KIAFMP COc1cc(C(=O)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553209 562031624 /nfs/dbraw/zinc/03/16/24/562031624.db2.gz GEYPSQZHXMNWIM-HNRBIFIRSA-N 2 1 746.858 4.075 1 0 KIAFMP COc1cc(C(=O)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553209 562031623 /nfs/dbraw/zinc/03/16/23/562031623.db2.gz GEYPSQZHXMNWIM-HNRBIFIRSA-N 2 1 746.858 4.075 1 0 KIAFMP COc1cc(C(=O)NC(=O)[C@@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000029553209 562031622 /nfs/dbraw/zinc/03/16/22/562031622.db2.gz GEYPSQZHXMNWIM-HNRBIFIRSA-N 2 1 746.858 4.075 1 0 KIAFMP O=C(NC(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557577 562032404 /nfs/dbraw/zinc/03/24/04/562032404.db2.gz WGFDGTABINXSBX-LOYHVIPDSA-N 2 1 566.702 4.024 1 0 KIAFMP O=C(NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557580 562032442 /nfs/dbraw/zinc/03/24/42/562032442.db2.gz WGFDGTABINXSBX-RNPORBBMSA-N 2 1 566.702 4.024 1 0 KIAFMP O=C(NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557580 562032441 /nfs/dbraw/zinc/03/24/41/562032441.db2.gz WGFDGTABINXSBX-RNPORBBMSA-N 2 1 566.702 4.024 1 0 KIAFMP O=C(NC(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000029557580 562032440 /nfs/dbraw/zinc/03/24/40/562032440.db2.gz WGFDGTABINXSBX-RNPORBBMSA-N 2 1 566.702 4.024 1 0 KIAFMP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@]31CC[C@]2(C[C@H]3c4c2c(O)c(OC)cc4CC[N@@H+]3C)C[C@H]1OC ZINC000033913539 562037877 /nfs/dbraw/zinc/03/78/77/562037877.db2.gz ZEQJFLRBPFWVDX-XVNLIJBVSA-N 2 1 533.669 4.310 1 0 KIAFMP COc1cc2[nH]c3c(c2cc1OC)CC[NH2+][C@]31CC[C@]2(C[C@@H]3c4c2c(O)c(OC)cc4CC[N@@H+]3C)C[C@H]1OC ZINC000033913540 562037869 /nfs/dbraw/zinc/03/78/69/562037869.db2.gz ZEQJFLRBPFWVDX-UKQVIXBHSA-N 2 1 533.669 4.310 1 0 KIAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCSCC[NH2+]CCc1cccc(Cl)c1Cl)ccc2O ZINC000034946553 562044018 /nfs/dbraw/zinc/04/40/18/562044018.db2.gz VSVCCWQJHSJDMV-SFHVURJKSA-N 2 1 516.516 4.181 1 0 KIAFMP O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCSCCC[NH2+]CCc1cccc(Cl)c1Cl)ccc2O ZINC000034946655 562044058 /nfs/dbraw/zinc/04/40/58/562044058.db2.gz PEVWKBRNDRRBCW-SFHVURJKSA-N 2 1 516.516 4.181 1 0 KIAFMP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284704 562053389 /nfs/dbraw/zinc/05/33/89/562053389.db2.gz PUBNSQFRKLLQSF-SLGZMBILSA-N 2 1 620.213 4.448 1 0 KIAFMP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284708 562053342 /nfs/dbraw/zinc/05/33/42/562053342.db2.gz PUBNSQFRKLLQSF-WRVRXEDSSA-N 2 1 620.213 4.448 1 0 KIAFMP CC[NH+](CC)C[C@@H](C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284756 562053349 /nfs/dbraw/zinc/05/33/49/562053349.db2.gz OGUFRVWONJSCFY-IWWXRALLSA-N 2 1 594.244 4.127 1 0 KIAFMP CC[NH+](CC)C[C@H](C1CCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000036284761 562053356 /nfs/dbraw/zinc/05/33/56/562053356.db2.gz OGUFRVWONJSCFY-XWHIBYANSA-N 2 1 594.244 4.127 1 0 KIAFMP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCN(C)CC1 ZINC000036285243 562053865 /nfs/dbraw/zinc/05/38/65/562053865.db2.gz LWBXLZBGWUEHNG-LOYHVIPDSA-N 2 1 580.217 4.257 1 0 KIAFMP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCN(C)CC1 ZINC000036285249 562053905 /nfs/dbraw/zinc/05/39/05/562053905.db2.gz LWBXLZBGWUEHNG-XZWHSSHBSA-N 2 1 580.217 4.257 1 0 KIAFMP NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000036285323 562054092 /nfs/dbraw/zinc/05/40/92/562054092.db2.gz GBTCAHLJDYHAKJ-HDBFZYDSSA-N 2 1 632.809 4.031 1 0 KIAFMP NC(=[NH2+])NCCC[C@@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036285328 562054076 /nfs/dbraw/zinc/05/40/76/562054076.db2.gz GBTCAHLJDYHAKJ-AOJHZZQJSA-N 2 1 632.809 4.031 1 0 KIAFMP NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000036285340 562054107 /nfs/dbraw/zinc/05/41/07/562054107.db2.gz GBTCAHLJDYHAKJ-AYXCPNKJSA-N 2 1 632.809 4.031 1 0 KIAFMP NC(=[NH2+])NCCC[C@H]1C[C@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036285343 562054062 /nfs/dbraw/zinc/05/40/62/562054062.db2.gz GBTCAHLJDYHAKJ-NUXXNWGHSA-N 2 1 632.809 4.031 1 0 KIAFMP NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000036285367 562054104 /nfs/dbraw/zinc/05/41/04/562054104.db2.gz GBTCAHLJDYHAKJ-NDLNHBFLSA-N 2 1 632.809 4.031 1 0 KIAFMP NC(=[NH2+])NCCC[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036285370 562054058 /nfs/dbraw/zinc/05/40/58/562054058.db2.gz GBTCAHLJDYHAKJ-BAQBVXSRSA-N 2 1 632.809 4.031 1 0 KIAFMP CN1CC[NH+](CCCN(c2nc3cc(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 562059379 /nfs/dbraw/zinc/05/93/79/562059379.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 2 1 578.752 4.362 1 0 KIAFMP CN1CC[NH+](CCCN(c2nc3cc(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 562059377 /nfs/dbraw/zinc/05/93/77/562059377.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 2 1 578.752 4.362 1 0 KIAFMP C[NH+]1CCN(CCCN(c2nc3cc(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 562059376 /nfs/dbraw/zinc/05/93/76/562059376.db2.gz CNDKMGSFYGRYPR-LIHQSLCGSA-N 2 1 578.752 4.362 1 0 KIAFMP CC[C@H]1CN(c2ncc(C3=[NH+]CCN3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488114 562060921 /nfs/dbraw/zinc/06/09/21/562060921.db2.gz GCVYMVHKOARNEP-NRFANRHFSA-N 2 1 519.496 4.443 1 0 KIAFMP C[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@H](Cc1ccc(O)cc1)[NH+](C)C ZINC000038147601 562065599 /nfs/dbraw/zinc/06/55/99/562065599.db2.gz QWTKIROLSYOMPY-BBACVFHCSA-N 3 1 601.880 4.341 1 0 KIAFMP C[NH+](C)CCNC(=O)c1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405253 562075003 /nfs/dbraw/zinc/07/50/03/562075003.db2.gz MGMZYTQUJVLCAB-UHFFFAOYSA-N 2 1 509.054 4.348 1 0 KIAFMP C[NH+]1CCN(CC(=O)N2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040429764 562076711 /nfs/dbraw/zinc/07/67/11/562076711.db2.gz DCEQWEBZLGADFI-SYGBTZKXSA-N 2 1 500.731 4.421 1 0 KIAFMP C[NH+]1CCN(CC(=O)N2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040429766 562076754 /nfs/dbraw/zinc/07/67/54/562076754.db2.gz DCEQWEBZLGADFI-DUEBYIIVSA-N 2 1 500.731 4.421 1 0 KIAFMP CCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@@H]3O5 ZINC000040663209 562079000 /nfs/dbraw/zinc/07/90/00/562079000.db2.gz WCHLSRWLEJAPMR-UHJWFULKSA-N 2 1 512.654 4.440 1 0 KIAFMP CCCC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000040663211 562078997 /nfs/dbraw/zinc/07/89/97/562078997.db2.gz WCHLSRWLEJAPMR-CTZUUEIXSA-N 2 1 512.654 4.440 1 0 KIAFMP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH2+]CCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040849152 562080703 /nfs/dbraw/zinc/08/07/03/562080703.db2.gz FXXPMAGDASAAAG-UHFFFAOYSA-N 2 1 537.108 4.478 1 0 KIAFMP C[NH+]1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040876970 562082333 /nfs/dbraw/zinc/08/23/33/562082333.db2.gz RDNNQBIJCSTXLF-GJTYJFQVSA-N 2 1 500.731 4.325 1 0 KIAFMP CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040880020 562082479 /nfs/dbraw/zinc/08/24/79/562082479.db2.gz CENRZZIJDJFOCR-SYGBTZKXSA-N 2 1 500.731 4.421 1 0 KIAFMP CN1CC[NH+](CCC(=O)N2CCC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000040880024 562082476 /nfs/dbraw/zinc/08/24/76/562082476.db2.gz CENRZZIJDJFOCR-DUEBYIIVSA-N 2 1 500.731 4.421 1 0 KIAFMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935676 562084991 /nfs/dbraw/zinc/08/49/91/562084991.db2.gz IEHQQWSIDVCYFC-DSNGMDLFSA-N 2 1 518.624 4.316 1 0 KIAFMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935684 562084989 /nfs/dbraw/zinc/08/49/89/562084989.db2.gz IEHQQWSIDVCYFC-CCDWMCETSA-N 2 1 518.624 4.316 1 0 KIAFMP C[NH+](C)CCC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000040939407 562085659 /nfs/dbraw/zinc/08/56/59/562085659.db2.gz VJRMFTAODLHSTA-UHFFFAOYSA-N 2 1 531.032 4.157 1 0 KIAFMP C[NH+]1CCN(CCC(=O)N[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000040954931 562086582 /nfs/dbraw/zinc/08/65/82/562086582.db2.gz ZHRHVAJQVGRZMO-GJTYJFQVSA-N 2 1 500.731 4.325 1 0 KIAFMP O=C(NC(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](C(=O)NC(=O)c4ccccc4)C3)cc2)C1)c1ccccc1 ZINC000043100358 562645896 /nfs/dbraw/zinc/64/58/96/562645896.db2.gz WGFDGTABINXSBX-KYJUHHDHSA-N 2 1 566.702 4.024 1 0 KIAFMP CC[NH+](CC)CCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc2ccccc21 ZINC000043152351 562646402 /nfs/dbraw/zinc/64/64/02/562646402.db2.gz ZVULMJYRVAVKCP-UHFFFAOYSA-N 2 1 578.779 4.400 1 0 KIAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1cccc([C@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044417710 562657143 /nfs/dbraw/zinc/65/71/43/562657143.db2.gz RILODUKPHSUGEW-WZJSRLNKSA-N 2 1 534.697 4.473 1 0 KIAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1cccc([C@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044417710 562657142 /nfs/dbraw/zinc/65/71/42/562657142.db2.gz RILODUKPHSUGEW-WZJSRLNKSA-N 2 1 534.697 4.473 1 0 KIAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1cccc([C@@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044417714 562657167 /nfs/dbraw/zinc/65/71/67/562657167.db2.gz RILODUKPHSUGEW-RDLSDULQSA-N 2 1 534.697 4.473 1 0 KIAFMP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1cccc([C@@H](C)[NH+]3CCOCC3)c1)C2 ZINC000044417714 562657166 /nfs/dbraw/zinc/65/71/66/562657166.db2.gz RILODUKPHSUGEW-RDLSDULQSA-N 2 1 534.697 4.473 1 0 KIAFMP CC[NH+](CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000044431322 562657835 /nfs/dbraw/zinc/65/78/35/562657835.db2.gz WWCHHSKTBKQRTP-RUZDIDTESA-N 2 1 555.075 4.278 1 0 KIAFMP CC[NH+](CC)CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccco3)oc21 ZINC000044431322 562657834 /nfs/dbraw/zinc/65/78/34/562657834.db2.gz WWCHHSKTBKQRTP-RUZDIDTESA-N 2 1 555.075 4.278 1 0 KIAFMP Cc1cc(C[NH+]2CCCN(c3ccc4c(c3)CC[N@H+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657981 /nfs/dbraw/zinc/65/79/81/562657981.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 2 1 509.702 4.432 1 0 KIAFMP Cc1cc(C[NH+]2CCCN(c3ccc4c(c3)CC[N@@H+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657980 /nfs/dbraw/zinc/65/79/80/562657980.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 2 1 509.702 4.432 1 0 KIAFMP Cc1cc(C[N@H+]2CCCN(c3ccc4c(c3)CC[NH+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657979 /nfs/dbraw/zinc/65/79/79/562657979.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 2 1 509.702 4.432 1 0 KIAFMP COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)s1 ZINC000045186737 562658212 /nfs/dbraw/zinc/65/82/12/562658212.db2.gz JZZNHEHXXWKELA-UHFFFAOYSA-N 2 1 503.665 4.227 1 0 KIAFMP COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000045188857 562658320 /nfs/dbraw/zinc/65/83/20/562658320.db2.gz FLSKSNVAZNUDMO-JXMROGBWSA-N 2 1 513.082 4.091 1 0 KIAFMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1-c1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000045189181 562658414 /nfs/dbraw/zinc/65/84/14/562658414.db2.gz CTGGBTZVTQHKRO-UHFFFAOYSA-N 2 1 509.672 4.033 1 0 KIAFMP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)s1 ZINC000045191644 562658548 /nfs/dbraw/zinc/65/85/48/562658548.db2.gz FFNAKXKKBJBJPR-UHFFFAOYSA-N 2 1 511.713 4.055 1 0 KIAFMP COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c(F)c1 ZINC000045195724 562658945 /nfs/dbraw/zinc/65/89/45/562658945.db2.gz ZZLVSOQYHSJFDZ-UHFFFAOYSA-N 2 1 523.674 4.132 1 0 KIAFMP COc1ccc(C[NH2+]CCc2cccs2)cc1-c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)s1 ZINC000045210197 562659303 /nfs/dbraw/zinc/65/93/03/562659303.db2.gz NYAGQWMZMPKPHH-UHFFFAOYSA-N 2 1 505.731 4.192 1 0 KIAFMP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCCN3CC[NH2+]CC3)c3ccccc23)C1)c1ccc(Cl)c(Cl)c1 ZINC000045231301 562659669 /nfs/dbraw/zinc/65/96/69/562659669.db2.gz GZOJQCWBRYZQDN-QFIPXVFZSA-N 2 1 527.496 4.435 1 0 KIAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3cccc(-c4ccccc4)c3)[nH+]2)cc1 ZINC000045302375 562660617 /nfs/dbraw/zinc/66/06/17/562660617.db2.gz KXVGDKYDLKJQRL-UHFFFAOYSA-N 2 1 525.657 4.189 1 0 KIAFMP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000045324374 562661239 /nfs/dbraw/zinc/66/12/39/562661239.db2.gz QEQVXHWUTXOBRC-UHFFFAOYSA-N 3 1 515.706 4.266 1 0 KIAFMP C[C@@]12C[C@@H](Nc3nc(N4CC[NH2+]CC4)nc(NCCc4ccc(O)cc4)[nH+]3)C[C@@H](C1)c1cccc(Cl)c1O2 ZINC000048307378 562663094 /nfs/dbraw/zinc/66/30/94/562663094.db2.gz GZMGYSXZAAHTJZ-JVAKCPTJSA-N 2 1 536.080 4.194 1 0 KIAFMP COc1cc(C(=O)NC(=O)[C@H]2CCC[NH+](Cc3ccc(C[N@@H+]4CCC[C@H](C(=O)NC(=O)c5cc(OC)c(OC)c(OC)c5)C4)cc3)C2)cc(OC)c1OC ZINC000049590071 562664856 /nfs/dbraw/zinc/66/48/56/562664856.db2.gz GEYPSQZHXMNWIM-NSOVKSMOSA-N 2 1 746.858 4.075 1 0 KIAFMP Cc1cc(OCCCNc2nc(N3CC[NH2+]CC3)nc(NCCc3ccc(O)cc3)[nH+]2)c(Cl)c(C)c1Cl ZINC000049605380 562665796 /nfs/dbraw/zinc/66/57/96/562665796.db2.gz JXAVTLMGFVCGSF-UHFFFAOYSA-N 2 1 546.503 4.446 1 0 KIAFMP COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5OCC[NH+](C)C)cc4)CC3)nc(N)c2cc1OC ZINC000049625969 562666955 /nfs/dbraw/zinc/66/69/55/562666955.db2.gz UOOOKRKXVFZRGK-UHFFFAOYSA-N 2 1 655.800 4.185 1 0 KIAFMP CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626136 562666996 /nfs/dbraw/zinc/66/69/96/562666996.db2.gz WXRKJXJURAERMG-BHYZAODMSA-N 2 1 615.775 4.317 1 0 KIAFMP CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626138 562667022 /nfs/dbraw/zinc/66/70/22/562667022.db2.gz WXRKJXJURAERMG-CDZUIXILSA-N 2 1 615.775 4.317 1 0 KIAFMP COc1ccc(-c2ccccc2OCCCNc2nc(N3CC[NH2+]CC3)nc(NCCc3ccc(O)cc3)[nH+]2)cc1 ZINC000049711134 562671954 /nfs/dbraw/zinc/67/19/54/562671954.db2.gz LJEXOCRHBWAFOB-UHFFFAOYSA-N 2 1 555.683 4.198 1 0 KIAFMP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000049722995 562672815 /nfs/dbraw/zinc/67/28/15/562672815.db2.gz BWLSZCKRHLWKLH-PIXGQMGXSA-N 2 1 595.788 4.016 1 0 KIAFMP CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1C[N@@H+](CC)Cc1ccccc1 ZINC000049722996 562672806 /nfs/dbraw/zinc/67/28/06/562672806.db2.gz ZHNPIYLLDWNMTK-UCDLYESDSA-N 2 1 609.815 4.406 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)C[C@H]6CC[N@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049768181 562677886 /nfs/dbraw/zinc/67/78/86/562677886.db2.gz PWQNZSCRPVJZJK-RBUYCUMVSA-N 2 1 730.906 4.353 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)C[C@H]6CC[N@@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049768181 562677885 /nfs/dbraw/zinc/67/78/85/562677885.db2.gz PWQNZSCRPVJZJK-RBUYCUMVSA-N 2 1 730.906 4.353 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)C[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049768181 562677884 /nfs/dbraw/zinc/67/78/84/562677884.db2.gz PWQNZSCRPVJZJK-RBUYCUMVSA-N 2 1 730.906 4.353 1 0 KIAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3cccc(C[NH+]4CCCCC4)c3Cl)[nH+]2)cc1 ZINC000049777917 562680689 /nfs/dbraw/zinc/68/06/89/562680689.db2.gz MXXQZQBWEDQSIZ-UHFFFAOYSA-N 3 1 581.165 4.162 1 0 KIAFMP N=C1NC(N)=[NH+]C2(CCCCC2)N1OCCCCCCCCNc1cccc(-c2csc(NC(N)=[NH2+])n2)c1 ZINC000049780504 562681795 /nfs/dbraw/zinc/68/17/95/562681795.db2.gz IVFUTIWNXXIFTN-UHFFFAOYSA-N 2 1 540.742 4.405 1 0 KIAFMP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCOCC2)C1 ZINC000049784279 562683554 /nfs/dbraw/zinc/68/35/54/562683554.db2.gz MXRVIRJWSLPMHG-UHFFFAOYSA-N 2 1 615.788 4.187 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCC[C@H]5CC[N@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000049793360 562684770 /nfs/dbraw/zinc/68/47/70/562684770.db2.gz GANUMCUPKWUEQY-YGXJUAHWSA-N 2 1 732.922 4.492 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCC[C@H]5CC[N@@H+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000049793360 562684769 /nfs/dbraw/zinc/68/47/69/562684769.db2.gz GANUMCUPKWUEQY-YGXJUAHWSA-N 2 1 732.922 4.492 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCC[C@H]5CC[NH+]5CC[C@@]7(c8cccc(OC)c8N(C3)[C@@]47O)[C@@H]56)[C@H]2O)C1 ZINC000049793360 562684768 /nfs/dbraw/zinc/68/47/68/562684768.db2.gz GANUMCUPKWUEQY-YGXJUAHWSA-N 2 1 732.922 4.492 1 0 KIAFMP CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049807832 562686496 /nfs/dbraw/zinc/68/64/96/562686496.db2.gz SEZGALPGIRIHAV-CUBQBAPOSA-N 2 1 536.742 4.377 1 0 KIAFMP OCC[NH+]1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841382 562688299 /nfs/dbraw/zinc/68/82/99/562688299.db2.gz SAJSOIPXKGYZML-UHFFFAOYSA-N 2 1 653.795 4.428 1 0 KIAFMP O=C1c2cccc3cccc(c32)C(=O)N1CCCCNCC[NH2+]CCCNCC[NH2+]CCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049844760 562688582 /nfs/dbraw/zinc/68/85/82/562688582.db2.gz SOUGBXUQRKWGMK-UHFFFAOYSA-N 2 1 662.835 4.194 1 0 KIAFMP O=c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CC[NH+](CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)c[nH]1 ZINC000049889220 562691902 /nfs/dbraw/zinc/69/19/02/562691902.db2.gz FMJIJXDBIQVBDD-UHFFFAOYSA-N 2 1 668.806 4.326 1 0 KIAFMP COc1ccc([C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049908027 562693445 /nfs/dbraw/zinc/69/34/45/562693445.db2.gz KKPPZWWZYZHQFQ-ZPGRZCPFSA-N 2 1 623.798 4.425 1 0 KIAFMP COc1ccc([C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049908028 562693436 /nfs/dbraw/zinc/69/34/36/562693436.db2.gz KKPPZWWZYZHQFQ-MPQUPPDSSA-N 2 1 623.798 4.425 1 0 KIAFMP Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(NCCCOc3ccccc3-c3ccc(F)cc3)[nH+]2)cc1 ZINC000049917665 562693749 /nfs/dbraw/zinc/69/37/49/562693749.db2.gz DVQFGJUREMLUKC-UHFFFAOYSA-N 2 1 543.647 4.329 1 0 KIAFMP NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000049942267 562695402 /nfs/dbraw/zinc/69/54/02/562695402.db2.gz GBTCAHLJDYHAKJ-OQIMXIDESA-N 2 1 632.809 4.031 1 0 KIAFMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000049952351 562695782 /nfs/dbraw/zinc/69/57/82/562695782.db2.gz KFRZKOUCOUFIIC-QJKWIJLYSA-N 2 1 661.844 4.411 1 0 KIAFMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c3c[nH]c4ccccc43)C2)c1 ZINC000049952352 562695810 /nfs/dbraw/zinc/69/58/10/562695810.db2.gz KFRZKOUCOUFIIC-ZFCFJKLRSA-N 2 1 661.844 4.411 1 0 KIAFMP Cc1c(C(=O)Nc2ccccc2)[n+](=O)c2cc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2n1O ZINC000053276291 562697099 /nfs/dbraw/zinc/69/70/99/562697099.db2.gz KHNUZIMLALXIOI-DHZHZOJOSA-O 2 1 510.618 4.185 1 0 KIAFMP CC(C)C[C@@H](CN(C(C)C)S(C)(=O)=O)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058506618 562698348 /nfs/dbraw/zinc/69/83/48/562698348.db2.gz PIZZMBOKKTYTAJ-AYRHNUGRSA-N 2 1 570.791 4.008 1 0 KIAFMP CC(C)C[C@@H](CN(C(C)C)S(C)(=O)=O)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058506618 562698347 /nfs/dbraw/zinc/69/83/47/562698347.db2.gz PIZZMBOKKTYTAJ-AYRHNUGRSA-N 2 1 570.791 4.008 1 0 KIAFMP C[NH+]1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058559413 562699305 /nfs/dbraw/zinc/69/93/05/562699305.db2.gz RDNNQBIJCSTXLF-ZIQMFUFLSA-N 2 1 500.731 4.325 1 0 KIAFMP C[NH+]1CCN(CCC(=O)N[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058566841 562699481 /nfs/dbraw/zinc/69/94/81/562699481.db2.gz ZHRHVAJQVGRZMO-ZIQMFUFLSA-N 2 1 500.731 4.325 1 0 KIAFMP CC[NH+](CC)CCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1ccc2ccccc2c1 ZINC000059584675 562702054 /nfs/dbraw/zinc/70/20/54/562702054.db2.gz BSURVCPNUZUCMK-UHFFFAOYSA-N 2 1 578.779 4.400 1 0 KIAFMP CC(C)C[C@H](CN(C(C)C)S(C)(=O)=O)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064277716 562704676 /nfs/dbraw/zinc/70/46/76/562704676.db2.gz PIZZMBOKKTYTAJ-DMTNHVFBSA-N 2 1 570.791 4.008 1 0 KIAFMP CC(C)C[C@H](CN(C(C)C)S(C)(=O)=O)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064277716 562704675 /nfs/dbraw/zinc/70/46/75/562704675.db2.gz PIZZMBOKKTYTAJ-DMTNHVFBSA-N 2 1 570.791 4.008 1 0 KIAFMP CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074420 562709874 /nfs/dbraw/zinc/70/98/74/562709874.db2.gz KGMLFGARCJUMAB-LJAQVGFWSA-N 2 1 564.738 4.392 1 0 KIAFMP CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074421 562709850 /nfs/dbraw/zinc/70/98/50/562709850.db2.gz KGMLFGARCJUMAB-GDLZYMKVSA-N 2 1 564.738 4.392 1 0 KIAFMP CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000066080006 562710653 /nfs/dbraw/zinc/71/06/53/562710653.db2.gz ZMNUTVBTLNVDLP-MUAVYFROSA-N 2 1 561.529 4.289 1 0 KIAFMP CC[N@H+]1CCCN(c2nc3cc(OCCC[NH+]4CCCC4)c(OC)cc3c(NC3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000072114803 562722848 /nfs/dbraw/zinc/72/28/48/562722848.db2.gz IYHZRYFGYDCPKH-UHFFFAOYSA-N 3 1 553.796 4.320 1 0 KIAFMP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)[NH+](C)C ZINC000072122170 562724499 /nfs/dbraw/zinc/72/44/99/562724499.db2.gz XCSVQYRKBHKRNV-JQHWBTPISA-N 2 1 665.831 4.032 1 0 KIAFMP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)[NH+](C)C ZINC000072122171 562724509 /nfs/dbraw/zinc/72/45/09/562724509.db2.gz XCSVQYRKBHKRNV-MCAOGJGXSA-N 2 1 665.831 4.032 1 0 KIAFMP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)[NH+](C)C ZINC000072122172 562724487 /nfs/dbraw/zinc/72/44/87/562724487.db2.gz XCSVQYRKBHKRNV-KOKFNTSOSA-N 2 1 665.831 4.032 1 0 KIAFMP Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)[NH+](C)C ZINC000072122173 562724470 /nfs/dbraw/zinc/72/44/70/562724470.db2.gz XCSVQYRKBHKRNV-FBEWACNMSA-N 2 1 665.831 4.032 1 0 KIAFMP Oc1ccc2c(c1)[C@]13CC[NH+](CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1 ZINC000072122842 562724636 /nfs/dbraw/zinc/72/46/36/562724636.db2.gz XBZDPVQCDIEQSU-JKRCZMJRSA-N 2 1 737.938 4.033 1 0 KIAFMP Oc1ccc2c(c1)[C@]13CC[NH+](CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]31CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000072122842 562724635 /nfs/dbraw/zinc/72/46/35/562724635.db2.gz XBZDPVQCDIEQSU-JKRCZMJRSA-N 2 1 737.938 4.033 1 0 KIAFMP Oc1ccc2c(c1)[C@]13CC[NH+](CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]21CC[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000072122842 562724634 /nfs/dbraw/zinc/72/46/34/562724634.db2.gz XBZDPVQCDIEQSU-JKRCZMJRSA-N 2 1 737.938 4.033 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)O[C@H]6CC[N@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173092 562730755 /nfs/dbraw/zinc/73/07/55/562730755.db2.gz RTWXKEHPBLKFOG-DWQSJKKASA-N 2 1 716.879 4.369 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[NH+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)O[C@H]6CC[N@@H+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173092 562730754 /nfs/dbraw/zinc/73/07/54/562730754.db2.gz RTWXKEHPBLKFOG-DWQSJKKASA-N 2 1 716.879 4.369 1 0 KIAFMP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@H+]2C[C@]4(C[C@@H]5C[C@]67CC(=O)O[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@H]58)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000072173092 562730753 /nfs/dbraw/zinc/73/07/53/562730753.db2.gz RTWXKEHPBLKFOG-DWQSJKKASA-N 2 1 716.879 4.369 1 0 KIAFMP COc1ccc(CN(CC[N@@H+](C)C[C@H](C)Nc2ccc3[nH]c(C(=O)N4CC[NH+](C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140944 562733663 /nfs/dbraw/zinc/73/36/63/562733663.db2.gz YMLNOWNONRZEDQ-VWLOTQADSA-N 2 1 569.754 4.398 1 0 KIAFMP COc1ccc(CN(CC[N@H+](C)C[C@H](C)Nc2ccc3[nH]c(C(=O)N4CC[NH+](C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140944 562733662 /nfs/dbraw/zinc/73/36/62/562733662.db2.gz YMLNOWNONRZEDQ-VWLOTQADSA-N 2 1 569.754 4.398 1 0 KIAFMP COc1ccc(CN(CC[N@@H+](C)C[C@@H](C)Nc2ccc3[nH]c(C(=O)N4CC[NH+](C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140947 562733635 /nfs/dbraw/zinc/73/36/35/562733635.db2.gz YMLNOWNONRZEDQ-RUZDIDTESA-N 2 1 569.754 4.398 1 0 KIAFMP COc1ccc(CN(CC[N@H+](C)C[C@@H](C)Nc2ccc3[nH]c(C(=O)N4CC[NH+](C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140947 562733634 /nfs/dbraw/zinc/73/36/34/562733634.db2.gz YMLNOWNONRZEDQ-RUZDIDTESA-N 2 1 569.754 4.398 1 0 KIAFMP Cc1cccc2c(CC[NH2+]Cc3ccc(CC[NH2+]C[C@H](O)c4ccc(O)c5[nH]c(=O)sc54)cc3)c[nH]c21 ZINC000073197769 562735504 /nfs/dbraw/zinc/73/55/04/562735504.db2.gz HRIMLSKWGJERPD-VWLOTQADSA-N 2 1 516.667 4.283 1 0 KIAFMP C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1)C1CCCCC1 ZINC000073197932 562735470 /nfs/dbraw/zinc/73/54/70/562735470.db2.gz GQJLIRHSQMGXCE-HTZJHERLSA-N 2 1 504.719 4.072 1 0 KIAFMP CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[N@@H+](CCCN2CC[NH+](C)CC2)CC3)CC1 ZINC000073197986 562735530 /nfs/dbraw/zinc/73/55/30/562735530.db2.gz UHWGNJCOPKVATP-KEANYWJXSA-N 3 1 515.790 4.046 1 0 KIAFMP Cc1cccc2c(CC[NH2+]Cc3cccc(CC[NH2+]C[C@H](O)c4ccc(O)c5[nH]c(=O)sc54)c3)c[nH]c21 ZINC000073199388 562735995 /nfs/dbraw/zinc/73/59/95/562735995.db2.gz RZAFGCJAAYEIMV-VWLOTQADSA-N 2 1 516.667 4.283 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000084729438 562751551 /nfs/dbraw/zinc/75/15/51/562751551.db2.gz QPSPPWIGIBPKIQ-KKUQBAQOSA-N 2 1 543.539 4.001 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000084729438 562751550 /nfs/dbraw/zinc/75/15/50/562751550.db2.gz QPSPPWIGIBPKIQ-KKUQBAQOSA-N 2 1 543.539 4.001 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](CC2CC2)C[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729438 562751549 /nfs/dbraw/zinc/75/15/49/562751549.db2.gz QPSPPWIGIBPKIQ-KKUQBAQOSA-N 2 1 543.539 4.001 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000084729446 562751537 /nfs/dbraw/zinc/75/15/37/562751537.db2.gz QPSPPWIGIBPKIQ-UODIDJSMSA-N 2 1 543.539 4.001 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[NH+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000084729446 562751536 /nfs/dbraw/zinc/75/15/36/562751536.db2.gz QPSPPWIGIBPKIQ-UODIDJSMSA-N 2 1 543.539 4.001 1 0 KIAFMP O=C(NCCc1ccc(Cl)cc1Cl)[C@H]1C[N@@H+](CC2CC2)C[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000084729446 562751535 /nfs/dbraw/zinc/75/15/35/562751535.db2.gz QPSPPWIGIBPKIQ-UODIDJSMSA-N 2 1 543.539 4.001 1 0 KIAFMP CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@@H](C)C[NH2+]C)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547395 560072301 /nfs/dbraw/zinc/07/23/01/560072301.db2.gz HGFBLPHIPGTZSL-UXQORMFCSA-N 2 1 515.827 4.467 1 0 biogenic,in-vitro KIAFMP CNC[C@@H]1CC[C@@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@@H](C)C[NH2+]C)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547401 560072350 /nfs/dbraw/zinc/07/23/50/560072350.db2.gz SHPJEQBMSBAEBB-VBEWTHBCSA-N 2 1 539.849 4.489 1 0 biogenic,in-vitro KIAFMP COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@H]4[NH2+][C@@H](C)CC[C@@H]4Cc4cc[nH+]c(N)c4)c3)O2)ccc1O ZINC000085596594 291841294 /nfs/dbraw/zinc/84/12/94/291841294.db2.gz QOEUMVUPSPOICH-OMVAJPSKSA-N 2 1 651.801 4.293 1 0 biogenic,in-vitro KIAFMP COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC[C@@H]2[NH2+][C@@H](C)CC[C@@H]2Cc2cc[nH+]c(N)c2)c1O ZINC000085596607 565156003 /nfs/dbraw/zinc/15/60/03/565156003.db2.gz GFXLVYNRSJOCNF-ZWXSIOQGSA-N 2 1 623.747 4.004 1 0 biogenic,in-vitro KIAFMP Nc1[nH]cc([C@H](CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)[nH+]c2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095539395 562755022 /nfs/dbraw/zinc/75/50/22/562755022.db2.gz QLDOUIZDLPGMQO-VWCDRPFISA-N 2 1 778.102 4.399 1 0 KIAFMP Nc1[nH]cc(C(=CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH+]c(N)[nH]c2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095539799 562755288 /nfs/dbraw/zinc/75/52/88/562755288.db2.gz HVSCSPHJFJDZCZ-BARZBYPCSA-N 2 1 776.086 4.308 1 0 KIAFMP Nc1[nH]c([C@H](CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH+]c(N)[nH]c2CCCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH+]1 ZINC000095539804 562755284 /nfs/dbraw/zinc/75/52/84/562755284.db2.gz MXRBWEXRDANRHZ-VIFPVBQESA-N 2 1 780.118 4.318 1 0 KIAFMP 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 562755283 /nfs/dbraw/zinc/75/52/83/562755283.db2.gz MXRBWEXRDANRHZ-VIFPVBQESA-N 2 1 780.118 4.318 1 0 KIAFMP Cc1nc(C)c(C(=O)O[C@H]2C[C@H]3CC[N@H+](C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@@H]23)OCO5)cc1C(=O)O[C@H]1C[C@H]2CC[NH+](C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000095543420 562757238 /nfs/dbraw/zinc/75/72/38/562757238.db2.gz CJYOGPFDNAEALZ-BVORSCEZSA-N 2 1 793.826 4.300 1 0 KIAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544603 562757704 /nfs/dbraw/zinc/75/77/04/562757704.db2.gz MVSJGAXWYHBIQV-IELIFDKJSA-N 2 1 777.963 4.108 1 0 KIAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544603 562757703 /nfs/dbraw/zinc/75/77/03/562757703.db2.gz MVSJGAXWYHBIQV-IELIFDKJSA-N 2 1 777.963 4.108 1 0 KIAFMP CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544603 562757702 /nfs/dbraw/zinc/75/77/02/562757702.db2.gz MVSJGAXWYHBIQV-IELIFDKJSA-N 2 1 777.963 4.108 1 0 KIAFMP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCC[NH+]2CCOCC2)nc2ccccc21 ZINC000095559845 562762893 /nfs/dbraw/zinc/76/28/93/562762893.db2.gz CBMDYJWQXKBORJ-UHFFFAOYSA-N 2 1 511.070 4.365 1 0 KIAFMP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCCN2CC[NH+](C)CC2)nc2ccccc21 ZINC000095560149 562762979 /nfs/dbraw/zinc/76/29/79/562762979.db2.gz KVIAKNCTDSRGFW-UHFFFAOYSA-N 2 1 524.113 4.280 1 0 KIAFMP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CNCC[NH+]2CCCCC2)nc2ccccc21 ZINC000095561839 562763514 /nfs/dbraw/zinc/76/35/14/562763514.db2.gz MFFFRNONEPQLBW-UHFFFAOYSA-N 2 1 524.113 4.328 1 0 KIAFMP CN(C)CCC[NH2+]CCC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2c(NCCC[NH+](C)C)n1 ZINC000095562104 562763573 /nfs/dbraw/zinc/76/35/73/562763573.db2.gz TZEWBSPZWSEQJG-UHFFFAOYSA-N 2 1 512.102 4.184 1 0 KIAFMP [NH3+]C1(C(=O)N[C@H](CCC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000095582330 562772554 /nfs/dbraw/zinc/77/25/54/562772554.db2.gz YHWQEGXKPZBDKS-HSZRJFAPSA-N 3 1 510.086 4.033 1 0 KIAFMP [NH3+]C1(C(=O)N[C@@H](CCC[NH+]2CCCCC2)c2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000095582331 562772540 /nfs/dbraw/zinc/77/25/40/562772540.db2.gz YHWQEGXKPZBDKS-QHCPKHFHSA-N 3 1 510.086 4.033 1 0 KIAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1cccc(F)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593621 562776288 /nfs/dbraw/zinc/77/62/88/562776288.db2.gz CNSYNGMGRNGGED-UHFFFAOYSA-N 2 1 568.629 4.400 1 0 KIAFMP COc1ccc2cc3[n+](cc2c1OCC[N@@H+](CCn1cncn1)Cc1ccccc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095593680 562776286 /nfs/dbraw/zinc/77/62/86/562776286.db2.gz VYBDTFAEHYPEHP-UHFFFAOYSA-N 2 1 568.629 4.400 1 0 KIAFMP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccccc1F)CCc1cc2c(cc1-3)OCO2 ZINC000095593680 562776285 /nfs/dbraw/zinc/77/62/85/562776285.db2.gz VYBDTFAEHYPEHP-UHFFFAOYSA-N 2 1 568.629 4.400 1 0 KIAFMP CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095594610 562776526 /nfs/dbraw/zinc/77/65/26/562776526.db2.gz OBMKRZCOTHZPOB-UDMDOTTKSA-N 2 1 752.953 4.449 1 0 KIAFMP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[NH+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095594610 562776525 /nfs/dbraw/zinc/77/65/25/562776525.db2.gz OBMKRZCOTHZPOB-UDMDOTTKSA-N 2 1 752.953 4.449 1 0 KIAFMP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000095594610 562776524 /nfs/dbraw/zinc/77/65/24/562776524.db2.gz OBMKRZCOTHZPOB-UDMDOTTKSA-N 2 1 752.953 4.449 1 0 KIAFMP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095602296 562779996 /nfs/dbraw/zinc/77/99/96/562779996.db2.gz ZCLFEQBFHRMJFK-GZNUUUAQSA-N 2 1 611.828 4.289 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@H]([NH2+]C2CCC2)CC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000096309531 562796457 /nfs/dbraw/zinc/79/64/57/562796457.db2.gz KWZREXRGWOXNHG-SNTUXTEOSA-N 2 1 626.245 4.430 1 0 KIAFMP O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@@H]([NH2+]C2CCC2)CC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000096309533 562796465 /nfs/dbraw/zinc/79/64/65/562796465.db2.gz KWZREXRGWOXNHG-HEAIWMBWSA-N 2 1 626.245 4.430 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796581 /nfs/dbraw/zinc/79/65/81/562796581.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH+](C)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796580 /nfs/dbraw/zinc/79/65/80/562796580.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@H+](C)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796579 /nfs/dbraw/zinc/79/65/79/562796579.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CC(=O)c1sc(NC(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796578 /nfs/dbraw/zinc/79/65/78/562796578.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 2 1 501.672 4.190 1 0 KIAFMP CN1CC[NH+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4c(NCCC[NH+](C)C)n3)cc2)CC1 ZINC000096908888 562799486 /nfs/dbraw/zinc/79/94/86/562799486.db2.gz QTMMDLGUGMUAND-UHFFFAOYSA-N 2 1 594.764 4.489 1 0 KIAFMP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000096908904 562799476 /nfs/dbraw/zinc/79/94/76/562799476.db2.gz YATLLHQWURQADY-UHFFFAOYSA-N 2 1 580.737 4.099 1 0 KIAFMP C[NH+]1CCC2=C[C@H](OC(=O)c3cccc(C(=O)O[C@H]4C=C5CC[N@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)c3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909167 562799518 /nfs/dbraw/zinc/79/95/18/562799518.db2.gz VLNLZAOOXFCEOD-VYJPBRPUSA-N 2 1 760.752 4.129 1 0 KIAFMP C[NH+]1CCC2=C[C@H](OC(=O)c3ccc(C(=O)O[C@H]4C=C5CC[N@H+](C)[C@H]5[C@@H]5c6cc7c(cc6C(=O)O[C@H]45)OCO7)cc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096909169 562799510 /nfs/dbraw/zinc/79/95/10/562799510.db2.gz JRGIHKUPFMUJAJ-VYJPBRPUSA-N 2 1 760.752 4.129 1 0 KIAFMP C[NH+]1CCN(C23C[C@@H]([NH2+]CCC(=O)N4CCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921611 562801471 /nfs/dbraw/zinc/80/14/71/562801471.db2.gz CYBYHJDWAJWZII-GJTYJFQVSA-N 2 1 500.731 4.325 1 0 KIAFMP C[NH+]1CCN(c2cc3nc(/C=C/c4ccc(C(=O)NCC[NH+]5CCCC5)cc4)n(-c4ccccc4)c(=O)c3cc2F)CC1 ZINC000096938700 562804536 /nfs/dbraw/zinc/80/45/36/562804536.db2.gz GSWSWFZVNUFHOO-SDNWHVSQSA-N 2 1 580.708 4.273 1 0 KIAFMP CCCC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](NC(C)=O)c2cccc(F)c2)C1 ZINC000101391212 562810557 /nfs/dbraw/zinc/81/05/57/562810557.db2.gz GROFPPUYVVUDRM-QUMGSSFMSA-N 2 1 509.670 4.451 1 0 KIAFMP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(c1ccncn1)C3)C2)c1cccc(F)c1 ZINC000101391224 562810538 /nfs/dbraw/zinc/81/05/38/562810538.db2.gz QWFGTDDNQVGRKP-QUMGSSFMSA-N 2 1 517.653 4.119 1 0 KIAFMP CC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(c1cnccn1)C3)C2)c1cccc(F)c1 ZINC000101391230 562810521 /nfs/dbraw/zinc/81/05/21/562810521.db2.gz WOXHINDXMMSUOT-QUMGSSFMSA-N 2 1 517.653 4.119 1 0 KIAFMP COC(=O)N[C@@H](CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CN(C(=O)OC)CC3)C2)c1cccc(F)c1 ZINC000101391246 562810532 /nfs/dbraw/zinc/81/05/32/562810532.db2.gz DSCMAXGHSLCWHO-AFXVXQJMSA-N 2 1 513.614 4.110 1 0 KIAFMP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCC[NH+]2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514843 562811234 /nfs/dbraw/zinc/81/12/34/562811234.db2.gz OEAJJYGHOQHLLC-LGKQTMLJSA-N 2 1 586.847 4.164 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCC[C@@H]2C(N)=O)c1=O ZINC000101756737 562812080 /nfs/dbraw/zinc/81/20/80/562812080.db2.gz WYNXEKYLFMUSEO-GFQWBHFJSA-N 2 1 549.760 4.208 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCC[N@@H+](C)CCCN(C)S(C)(=O)=O)c1=O ZINC000101795749 562812114 /nfs/dbraw/zinc/81/21/14/562812114.db2.gz OZOUMOAFNFHRMX-PKQPGRETSA-N 2 1 615.885 4.471 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCC[N@H+](C)CCCN(C)S(C)(=O)=O)c1=O ZINC000101795749 562812113 /nfs/dbraw/zinc/81/21/13/562812113.db2.gz OZOUMOAFNFHRMX-PKQPGRETSA-N 2 1 615.885 4.471 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+](C)CCCN(C)S(C)(=O)=O)c1=O ZINC000101795749 562812112 /nfs/dbraw/zinc/81/21/12/562812112.db2.gz OZOUMOAFNFHRMX-PKQPGRETSA-N 2 1 615.885 4.471 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCC[NH+]2CCN(S(C)(=O)=O)CC2)c1=O ZINC000101799388 562812138 /nfs/dbraw/zinc/81/21/38/562812138.db2.gz KAOSIRKPPAYQML-PKQPGRETSA-N 2 1 613.869 4.225 1 0 KIAFMP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCC[NH+]2CCN(S(C)(=O)=O)CC2)c1=O ZINC000101799388 562812137 /nfs/dbraw/zinc/81/21/37/562812137.db2.gz KAOSIRKPPAYQML-PKQPGRETSA-N 2 1 613.869 4.225 1 0 KIAFMP COc1cc2[nH+]c(N3CCN(c4ccccn4)CC3)nc(NC3CC[NH+](Cc4ccccc4)CC3)c2cc1OC ZINC000105142509 562825142 /nfs/dbraw/zinc/82/51/42/562825142.db2.gz ZVFCREVCGFDCBE-UHFFFAOYSA-N 2 1 539.684 4.445 1 0 KIAFMP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147081312 562839155 /nfs/dbraw/zinc/83/91/55/562839155.db2.gz HMFYCBIPDDXTTK-OGESRWMOSA-N 2 1 571.766 4.435 1 0 KIAFMP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[N@H+]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147154131 562839177 /nfs/dbraw/zinc/83/91/77/562839177.db2.gz HQFBGVNJAFEMRY-HXXBZNTPSA-N 2 1 577.528 4.066 1 0 KIAFMP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2C[NH+](CC(C)(C)O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147230357 562839222 /nfs/dbraw/zinc/83/92/22/562839222.db2.gz YULZGKMBFRLRAQ-ZWXBAZLCSA-N 2 1 591.555 4.454 1 0 KIAFMP [O-][n+]1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(N7CC[NH+](CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)cc1 ZINC000150371763 562843369 /nfs/dbraw/zinc/84/33/69/562843369.db2.gz XKNUKLOVNSZOQW-UHFFFAOYSA-N 2 1 668.806 4.271 1 0 KIAFMP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@@H+](C)[C@H](c5ccccc5)C4)cc3)cc2)C[C@@H]1c1ccccc1 ZINC000150582534 562845570 /nfs/dbraw/zinc/84/55/70/562845570.db2.gz ZGQFBCCNVXJWLQ-JXLNJXQWSA-P 4 1 714.871 4.195 1 0 KIAFMP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@H+](C)[C@H](c5ccccc5)C4)cc3)cc2)C[C@@H]1c1ccccc1 ZINC000150582534 562845569 /nfs/dbraw/zinc/84/55/69/562845569.db2.gz ZGQFBCCNVXJWLQ-JXLNJXQWSA-P 4 1 714.871 4.195 1 0 KIAFMP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@H+](C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1 ZINC000150582534 562845568 /nfs/dbraw/zinc/84/55/68/562845568.db2.gz ZGQFBCCNVXJWLQ-JXLNJXQWSA-P 4 1 714.871 4.195 1 0 KIAFMP COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(N[C@@H]3Cc4cc(Cl)ccc4N3)c2cc1OC ZINC000169293837 562852180 /nfs/dbraw/zinc/85/21/80/562852180.db2.gz JIBXTTIJVWINIF-DNOBIOAJSA-N 2 1 553.107 4.380 1 0 KIAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169295633 562852404 /nfs/dbraw/zinc/85/24/04/562852404.db2.gz MVSJGAXWYHBIQV-SULIYOFUSA-N 2 1 777.963 4.108 1 0 KIAFMP CCC1=C[C@@H]2C[NH+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[N@@H+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169295633 562852403 /nfs/dbraw/zinc/85/24/03/562852403.db2.gz MVSJGAXWYHBIQV-SULIYOFUSA-N 2 1 777.963 4.108 1 0 KIAFMP CCC1=C[C@@H]2C[N@@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169295633 562852402 /nfs/dbraw/zinc/85/24/02/562852402.db2.gz MVSJGAXWYHBIQV-SULIYOFUSA-N 2 1 777.963 4.108 1 0 KIAFMP C[NH+]1CCN(C23C[C@H]([NH2+]CCC(=O)N4CCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298856 562852700 /nfs/dbraw/zinc/85/27/00/562852700.db2.gz CYBYHJDWAJWZII-AVEWUVIBSA-N 2 1 500.731 4.325 1 0 KIAFMP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@H+](C)[C@@H](c5ccccc5)C4)cc3)cc2)C[C@@H]1c1ccccc1 ZINC000169304818 562853399 /nfs/dbraw/zinc/85/33/99/562853399.db2.gz ZGQFBCCNVXJWLQ-FZNHDDJXSA-P 4 1 714.871 4.195 1 0 KIAFMP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1 ZINC000169310613 562854857 /nfs/dbraw/zinc/85/48/57/562854857.db2.gz BBGCUUIMCGYMNQ-UHFFFAOYSA-N 2 1 582.105 4.087 1 0 KIAFMP CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH2+]CCC[NH+](CC)CC)cc1 ZINC000169313090 562855523 /nfs/dbraw/zinc/85/55/23/562855523.db2.gz OJKALDMOCOACDI-UHFFFAOYSA-N 2 1 508.667 4.040 1 0 KIAFMP CC(C)[N@@H+](C)CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000169346893 562861888 /nfs/dbraw/zinc/86/18/88/562861888.db2.gz IDSZVHRWDXGSEI-UHFFFAOYSA-N 2 1 577.191 4.289 1 0 KIAFMP CC(C)[N@H+](C)CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000169346893 562861887 /nfs/dbraw/zinc/86/18/87/562861887.db2.gz IDSZVHRWDXGSEI-UHFFFAOYSA-N 2 1 577.191 4.289 1 0 KIAFMP CC(C)[N@@H+](C)CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000169346893 562861886 /nfs/dbraw/zinc/86/18/86/562861886.db2.gz IDSZVHRWDXGSEI-UHFFFAOYSA-N 2 1 577.191 4.289 1 0 KIAFMP C[N@@H+](CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 ZINC000169346897 562861876 /nfs/dbraw/zinc/86/18/76/562861876.db2.gz LPPAAGMYJPFRBW-UHFFFAOYSA-N 2 1 575.175 4.043 1 0 KIAFMP C[N@H+](CCCN(CC[NH2+]CCc1ccc(O)c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 ZINC000169346897 562861875 /nfs/dbraw/zinc/86/18/75/562861875.db2.gz LPPAAGMYJPFRBW-UHFFFAOYSA-N 2 1 575.175 4.043 1 0 KIAFMP C[N@@H+](CCCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1)C1CC1 ZINC000169346897 562861874 /nfs/dbraw/zinc/86/18/74/562861874.db2.gz LPPAAGMYJPFRBW-UHFFFAOYSA-N 2 1 575.175 4.043 1 0 KIAFMP CN1CC[NH+](C23C[C@H](c4ccccc4)C([C@@H](c4ccccc4)C2)[N@@H+](CCCN2CC[NH+](C)CC2)CC3)CC1 ZINC000195448533 562871904 /nfs/dbraw/zinc/87/19/04/562871904.db2.gz UHWGNJCOPKVATP-AOQDKHGRSA-N 3 1 515.790 4.046 1 0 KIAFMP C[NH+]1CCN(C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H]([NH2+]CCC(=O)N2CCCC2)C3)CC1 ZINC000205392444 562875324 /nfs/dbraw/zinc/87/53/24/562875324.db2.gz CYBYHJDWAJWZII-XVCJHKRJSA-N 2 1 500.731 4.325 1 0 KIAFMP NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000205769575 562875936 /nfs/dbraw/zinc/87/59/36/562875936.db2.gz VTYBXTOFABINOL-UHFFFAOYSA-N 2 1 500.628 4.314 1 0 KIAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccc(C[NH+]5CCCC5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000299828790 562884596 /nfs/dbraw/zinc/88/45/96/562884596.db2.gz ITHPHEOUFLJHKX-VQCLQPKNSA-N 2 1 576.646 4.396 1 0 KIAFMP CNc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccccn5)CC4)CC3)cc2)cs1 ZINC000299829008 562884643 /nfs/dbraw/zinc/88/46/43/562884643.db2.gz OZOZGNDRNXUHIC-UHFFFAOYSA-N 2 1 519.763 4.009 1 0 KIAFMP Nc1nc(-c2ccc(CCN3CC[NH+](CCCC[NH+]4CCN(c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834302 562886432 /nfs/dbraw/zinc/88/64/32/562886432.db2.gz SBHPBLBHLUMCJG-UHFFFAOYSA-N 2 1 504.748 4.155 1 0 KIAFMP COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccc(C[NH+]5CCCC5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000299834746 562886540 /nfs/dbraw/zinc/88/65/40/562886540.db2.gz VIYLHWXDTNHWHG-ALMBTRMVSA-N 2 1 562.619 4.093 1 0 KIAFMP C[NH+]1CCN(CC2C(=O)[O+]=NN2c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CC[N@H+](C)[C@H](c5ccccc5)C4)cc3)cc2)C[C@H]1c1ccccc1 ZINC000299849056 562890426 /nfs/dbraw/zinc/89/04/26/562890426.db2.gz ZGQFBCCNVXJWLQ-BCRBLDSWSA-P 4 1 714.871 4.195 1 0 KIAFMP CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2C[NH2+]1 ZINC000299858376 562892441 /nfs/dbraw/zinc/89/24/41/562892441.db2.gz GLYMNHHFYBKIMM-XNCYAKTISA-N 2 1 511.682 4.195 1 0 KIAFMP CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2C[NH2+]1 ZINC000299858376 562892440 /nfs/dbraw/zinc/89/24/40/562892440.db2.gz GLYMNHHFYBKIMM-XNCYAKTISA-N 2 1 511.682 4.195 1 0 KIAFMP CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1 ZINC000299858376 562892439 /nfs/dbraw/zinc/89/24/39/562892439.db2.gz GLYMNHHFYBKIMM-XNCYAKTISA-N 2 1 511.682 4.195 1 0 KIAFMP CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)cc2[n+]1=O ZINC000377820006 562896200 /nfs/dbraw/zinc/89/62/00/562896200.db2.gz GICXIUBTLXREFX-FMIVXFBMSA-N 2 1 525.629 4.468 1 0 KIAFMP COc1cc2[nH+]c(N(C)CCCCC[NH+]3CCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000473114984 562899022 /nfs/dbraw/zinc/89/90/22/562899022.db2.gz QCTVAIAJUWXKPK-UHFFFAOYSA-N 3 1 512.743 4.449 1 0 KIAFMP C[N@H+]1CCC[C@@H]1CC[NH2+]CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653751496 562910656 /nfs/dbraw/zinc/91/06/56/562910656.db2.gz AOUAPEKAUHZFGY-RUZDIDTESA-N 3 1 533.790 4.400 1 0 KIAFMP C[N@@H+]1CCC[C@@H]1CC[NH2+]CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653751496 562910655 /nfs/dbraw/zinc/91/06/55/562910655.db2.gz AOUAPEKAUHZFGY-RUZDIDTESA-N 3 1 533.790 4.400 1 0 KIAFMP CN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[NH2+]CC[C@H]4CCC[N@H+]4C)CC3)n2)CC1 ZINC000653751496 562910654 /nfs/dbraw/zinc/91/06/54/562910654.db2.gz AOUAPEKAUHZFGY-RUZDIDTESA-N 2 1 533.790 4.400 1 0 KIAFMP C[N@H+]1CCC[C@H]1CC[NH2+]CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653751497 562910649 /nfs/dbraw/zinc/91/06/49/562910649.db2.gz AOUAPEKAUHZFGY-VWLOTQADSA-N 3 1 533.790 4.400 1 0 KIAFMP C[N@@H+]1CCC[C@H]1CC[NH2+]CC1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653751497 562910648 /nfs/dbraw/zinc/91/06/48/562910648.db2.gz AOUAPEKAUHZFGY-VWLOTQADSA-N 3 1 533.790 4.400 1 0 KIAFMP CN1CCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[NH2+]CC[C@@H]4CCC[N@H+]4C)CC3)n2)CC1 ZINC000653751497 562910647 /nfs/dbraw/zinc/91/06/47/562910647.db2.gz AOUAPEKAUHZFGY-VWLOTQADSA-N 2 1 533.790 4.400 1 0 KIAFMP CN(C)[C@@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751546 562910636 /nfs/dbraw/zinc/91/06/36/562910636.db2.gz NQCLNANRPRPADW-RUZDIDTESA-N 2 1 533.790 4.353 1 0 KIAFMP CN(C)[C@@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751546 562910635 /nfs/dbraw/zinc/91/06/35/562910635.db2.gz NQCLNANRPRPADW-RUZDIDTESA-N 2 1 533.790 4.353 1 0 KIAFMP CN(C)[C@H]1CCC[N@@H+](CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751547 562910663 /nfs/dbraw/zinc/91/06/63/562910663.db2.gz NQCLNANRPRPADW-VWLOTQADSA-N 2 1 533.790 4.353 1 0 KIAFMP CN(C)[C@H]1CCC[N@H+](CC2CCN(c3nc(N4CC[NH+](C)CC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653751547 562910662 /nfs/dbraw/zinc/91/06/62/562910662.db2.gz NQCLNANRPRPADW-VWLOTQADSA-N 2 1 533.790 4.353 1 0 KIAFMP C[N@@H+](C1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1)C1(CO)CCCC1 ZINC000653751548 562910734 /nfs/dbraw/zinc/91/07/34/562910734.db2.gz OKMKJZRVNFMHGZ-UHFFFAOYSA-N 2 1 520.747 4.316 1 0 KIAFMP C[N@H+](C1CCN(c2nc(N3CC[NH+](C)CC3)nc3scc(-c4ccccc4)c32)CC1)C1(CO)CCCC1 ZINC000653751548 562910733 /nfs/dbraw/zinc/91/07/33/562910733.db2.gz OKMKJZRVNFMHGZ-UHFFFAOYSA-N 2 1 520.747 4.316 1 0 KIAFMP O=C1CC[C@@H]2CCC[C@H]3C[NH+]4CCC[C@H](C[C@H]5CCC[N@@H+]6C[C@@H]7CCC[C@H]8CCC(=O)N([C@H]87)[C@H]56)[C@H]4N1[C@H]23 ZINC000653790113 562912526 /nfs/dbraw/zinc/91/25/26/562912526.db2.gz GVOGFWROUQGJCY-XFFDCCFASA-N 2 1 508.751 4.295 1 0 KIAFMP CCOC(=O)[C@@H]1CC2(CN1)CCN(c1cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n1)CC2 ZINC000653795767 562913116 /nfs/dbraw/zinc/91/31/16/562913116.db2.gz GFKLPMANPQVXBN-WMZHIEFXSA-N 2 1 594.038 4.400 1 0 KIAFMP O=C([C@H]1CCCC[NH2+]1)N1CCC2(C1)CCN(c1nc(NCc3ccc(Cl)cc3Cl)cc[nH+]1)CC2 ZINC000653843516 562915056 /nfs/dbraw/zinc/91/50/56/562915056.db2.gz QHNRPKQSSSAFSM-OAQYLSRUSA-N 2 1 503.478 4.357 1 0 KIAFMP O=C([C@@H]1CCCC[NH2+]1)N1CCC2(C1)CCN(c1nc(NCc3ccc(Cl)cc3Cl)cc[nH+]1)CC2 ZINC000653845110 562915126 /nfs/dbraw/zinc/91/51/26/562915126.db2.gz QHNRPKQSSSAFSM-NRFANRHFSA-N 2 1 503.478 4.357 1 0 KIAFMP O=C([C@H]1CCC[NH2+]C1)N1CCC2(C1)CCN(c1nc(NCc3ccc(Cl)cc3Cl)cc[nH+]1)CC2 ZINC000653854031 562915705 /nfs/dbraw/zinc/91/57/05/562915705.db2.gz PQOZPJUVFNTYPQ-IBGZPJMESA-N 2 1 503.478 4.214 1 0 KIAFMP O=C([C@@H]1CCC[NH2+]C1)N1CCC2(C1)CCN(c1nc(NCc3ccc(Cl)cc3Cl)cc[nH+]1)CC2 ZINC000653854032 562915703 /nfs/dbraw/zinc/91/57/03/562915703.db2.gz PQOZPJUVFNTYPQ-LJQANCHMSA-N 2 1 503.478 4.214 1 0 KIAFMP COc1ccc2cc3[n+](cc2c1OCCCN1CCN(c2cc[nH+]cc2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653886914 562917004 /nfs/dbraw/zinc/91/70/04/562917004.db2.gz IWMBIAFDQVLMJN-UHFFFAOYSA-N 2 1 525.629 4.074 1 0 KIAFMP CCc1[nH+]c2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(CCC(C)C)CC[NH+](C)C ZINC000061926266 562703579 /nfs/dbraw/zinc/70/35/79/562703579.db2.gz OPXXADTWPYKRQB-UHFFFAOYSA-N 2 1 522.694 4.030 3 0 KIAFMP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2CC1=O ZINC000066123362 562712459 /nfs/dbraw/zinc/71/24/59/562712459.db2.gz VKOMSRGQYVAYGT-KGTVSZMUSA-N 2 1 644.813 4.421 3 0 KIAFMP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CC[NH+]3CCOCC3)cc2CC1=O ZINC000066123362 562712458 /nfs/dbraw/zinc/71/24/58/562712458.db2.gz VKOMSRGQYVAYGT-KGTVSZMUSA-N 2 1 644.813 4.421 3 0 KIAFMP CCCCN1C(=[NH2+])N([C@@H](C)C[N@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@H]1Cc1ccccc1 ZINC000095570657 562768368 /nfs/dbraw/zinc/76/83/68/562768368.db2.gz XKQLIKPNNJOPIW-UGIQSDBZSA-N 3 1 529.777 4.045 3 0 KIAFMP