smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C(=O)C(C)(C)[NH3+])CC2)CC1 ZINC000013440005 562962868 /nfs/dbraw/zinc/96/28/68/562962868.db2.gz IIJMSYLYRLRLAF-UHFFFAOYSA-N 2 0 466.026 2.101 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)CC1 ZINC000013440001 562962882 /nfs/dbraw/zinc/96/28/82/562962882.db2.gz USQJXBGHAMZWMX-QFIPXVFZSA-N 2 0 480.053 2.347 1 0 JEAFRP CCC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCC(NC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000013439997 562962910 /nfs/dbraw/zinc/96/29/10/562962910.db2.gz UYKYPBVHLUZHEL-HXUWFJFHSA-N 2 0 480.053 2.491 1 0 JEAFRP COc1ccc2c(c1)-c1nn(CCC[NH+](C)C)c3ccc4c(=O)n(CC[NH+](C)C)c(=O)n-2c4c31 ZINC000027754692 563051324 /nfs/dbraw/zinc/05/13/24/563051324.db2.gz ZQBGGHPFFZEXCL-UHFFFAOYSA-N 2 0 462.554 2.004 1 0 JEAFRP COc1cc2c(cc1OCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000036382872 563128219 /nfs/dbraw/zinc/12/82/19/563128219.db2.gz PTRSMGYKEMPQRR-UHFFFAOYSA-N 3 0 471.650 2.227 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C(=O)CCC[NH3+])CC2)CC1 ZINC000013439983 562962940 /nfs/dbraw/zinc/96/29/40/562962940.db2.gz NHRKOZUAELCOEV-UHFFFAOYSA-N 2 0 466.026 2.103 1 0 JEAFRP C[NH+](C)CCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O ZINC000013527052 562971660 /nfs/dbraw/zinc/97/16/60/562971660.db2.gz WQIHEHKDRLQNNL-UHFFFAOYSA-N 2 0 481.988 2.138 1 0 JEAFRP CCCC(=O)N1CCC(C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])(c2ccccc2)CC1 ZINC000013606845 562978827 /nfs/dbraw/zinc/97/88/27/562978827.db2.gz CIPHKAFTAAPXPN-UHFFFAOYSA-N 3 0 459.679 2.161 1 0 JEAFRP [NH3+]CCCC[C@@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-] ZINC000029124146 563094406 /nfs/dbraw/zinc/09/44/06/563094406.db2.gz IOFMTYKCDCTKID-LEWJYISDSA-N 2 0 471.687 2.158 1 0 JEAFRP Cc1cn([C@@H](CCCC[NH3+])C(=O)NCCCCCCCCCCC(=O)N2CC[NH2+]CC2)nn1 ZINC000036386738 563128940 /nfs/dbraw/zinc/12/89/40/563128940.db2.gz KHVSPPODRMNINF-QFIPXVFZSA-N 2 0 463.671 2.316 3 0 JEAFRP CC(C)(Cc1ccc(NC(=O)CCC[NH3+])cc1)[NH2+]C[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045288901 563184606 /nfs/dbraw/zinc/18/46/06/563184606.db2.gz SZSJRKLPTIBKNS-IBGZPJMESA-N 2 0 456.543 2.045 1 0 JEAFRP C[NH2+]CCCOc1cc2nc(N3CCC[N@H+](C)CC3)nc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000058575129 563207611 /nfs/dbraw/zinc/20/76/11/563207611.db2.gz OFQMBJXGHLVKIV-UHFFFAOYSA-N 3 0 471.650 2.275 1 0 JEAFRP C[NH2+]C[C@H](CCCCCC[C@](O)(C[NH2+]C1(C)CC[NH2+]CC1)CC(=O)[O-])CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085488147 560075846 /nfs/dbraw/zinc/07/58/46/560075846.db2.gz RPVORQDJELLMCZ-ZNLQNUNWSA-N 3 0 498.753 2.382 1 0 biogenic,in-vitro JEAFRP CCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCC(NC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 ZINC000013439999 562962914 /nfs/dbraw/zinc/96/29/14/562962914.db2.gz UYKYPBVHLUZHEL-FQEVSTJZSA-N 2 0 480.053 2.491 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)CC1 ZINC000013440003 562962937 /nfs/dbraw/zinc/96/29/37/562962937.db2.gz USQJXBGHAMZWMX-JOCHJYFZSA-N 2 0 480.053 2.347 1 0 JEAFRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CCCCC1)C(=O)c1nccs1 ZINC000013491433 562969486 /nfs/dbraw/zinc/96/94/86/562969486.db2.gz XFFGOZQFPJOFKN-QYZOEREBSA-N 2 0 463.648 2.228 1 0 JEAFRP NC(=[NH2+])NCCCC[C@H](NC(=O)C(C[NH3+])(CC1CCCCC1)CC1CCCCC1)C(N)=O ZINC000045245009 563181516 /nfs/dbraw/zinc/18/15/16/563181516.db2.gz MAFDPMLMEGMDFK-FQEVSTJZSA-N 2 0 450.672 2.496 1 0 JEAFRP Cc1cc(C)cc(CC(C[NH3+])(Cc2cc(C)cc(C)c2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(N)=O)c1 ZINC000045245164 563181542 /nfs/dbraw/zinc/18/15/42/563181542.db2.gz SEYUWSVGASGPSC-DEOSSOPVSA-N 2 0 494.684 2.274 1 0 JEAFRP O=C(NCCC[NH2+]CCC[NH2+]CCCNC(=O)NCc1ccccc1)NCc1ccccc1 ZINC000049037245 563199173 /nfs/dbraw/zinc/19/91/73/563199173.db2.gz MDOXEDXYAOFWJD-UHFFFAOYSA-N 2 0 454.619 2.335 1 0 JEAFRP CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Sc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)cc1 ZINC000003630937 562927414 /nfs/dbraw/zinc/92/74/14/562927414.db2.gz GOKMANFICRASBS-UHFFFAOYSA-N 2 0 464.603 2.209 1 0 JEAFRP CCOC(=O)[C@@]1(C)CSC(c2ccc(OCCCC[NH2+]CCCNCCC[NH3+])cc2O)=N1 ZINC000013645798 562980698 /nfs/dbraw/zinc/98/06/98/562980698.db2.gz GTIJBBLOXBDBNS-HSZRJFAPSA-N 2 0 466.648 2.285 1 0 JEAFRP C[NH+](C)CCn1c(=O)c2ccc3c4c(nn3CC[NH+]3CCCCC3)-c3cc(N)ccc3-n(c42)c1=O ZINC000027757146 563051337 /nfs/dbraw/zinc/05/13/37/563051337.db2.gz SQDNQVPSVXUZHZ-UHFFFAOYSA-N 2 0 473.581 2.112 1 0 JEAFRP CC(C)(Cc1ccc(NC(=O)CCC[NH3+])cc1)[NH2+]C[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 ZINC000045257172 563182798 /nfs/dbraw/zinc/18/27/98/563182798.db2.gz YDHFEWMVFQLZCK-HXUWFJFHSA-N 2 0 456.543 2.045 1 0 JEAFRP [NH3+]CCCCN1C(=O)N(CCCC[NH3+])[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000014908023 563006509 /nfs/dbraw/zinc/00/65/09/563006509.db2.gz TXGJUFAVGDYSPH-XPGKHFPBSA-N 2 0 468.642 2.146 1 0 JEAFRP [NH3+][C@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026960668 563038124 /nfs/dbraw/zinc/03/81/24/563038124.db2.gz GVQANTPXHISKAG-PSWAGMNNSA-N 2 0 470.614 2.111 1 0 JEAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000028823671 563081606 /nfs/dbraw/zinc/08/16/06/563081606.db2.gz ISWGUYYQOFWZJA-DNQXCXABSA-N 2 0 464.610 2.439 1 0 JEAFRP [NH3+]CCCC[C@@H]([NH3+])C(=O)NCCCCCCCCCCCC(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000029124144 563094338 /nfs/dbraw/zinc/09/43/38/563094338.db2.gz IOFMTYKCDCTKID-NHCUHLMSSA-N 2 0 471.687 2.158 1 0 JEAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000040587783 563146776 /nfs/dbraw/zinc/14/67/76/563146776.db2.gz ISWGUYYQOFWZJA-ZEQRLZLVSA-N 2 0 464.610 2.439 1 0 JEAFRP CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(N)=[NH2+])CC2)cc1 ZINC000003951370 562930762 /nfs/dbraw/zinc/93/07/62/562930762.db2.gz MSTBTADMALYDMR-QHCPKHFHSA-N 2 0 494.596 2.358 1 0 JEAFRP O=C(NCCCCNC(=O)Nc1cccc(C2=[NH+]CCN2)c1)Nc1cccc(C2=[NH+]CCN2)c1 ZINC000004896047 562933794 /nfs/dbraw/zinc/93/37/94/562933794.db2.gz JZNYYJFKKQLQES-UHFFFAOYSA-N 2 0 462.558 2.110 1 0 JEAFRP Nc1c(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cccc1C(=O)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000001698592 562923283 /nfs/dbraw/zinc/92/32/83/562923283.db2.gz OBAUDPAEJYJNTG-UHFFFAOYSA-N 2 0 467.533 2.473 1 0 JEAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1 ZINC000013835275 563001268 /nfs/dbraw/zinc/00/12/68/563001268.db2.gz YKMDOKJBGDNCAX-VWLOTQADSA-N 3 0 489.705 2.204 1 0 JEAFRP C[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCCC[NH3+])C(=O)Nc1ccccc1 ZINC000027429771 563044114 /nfs/dbraw/zinc/04/41/14/563044114.db2.gz JJVBVWAKWZHHLG-QDSKXPNFSA-N 2 0 481.641 2.484 1 0 JEAFRP CC(C)(c1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)c1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000029409970 563103196 /nfs/dbraw/zinc/10/31/96/563103196.db2.gz YYIKMKWOIDALJN-UHFFFAOYSA-N 2 0 474.617 2.384 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CC[NH+](C[C@H](C)C[NH3+])CC2)CC1 ZINC000013439975 562962905 /nfs/dbraw/zinc/96/29/05/562962905.db2.gz RUMYENPTTPIVMD-MRXNPFEDSA-N 3 0 452.043 2.432 1 0 JEAFRP [NH3+]CCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CC[NH3+])c4c3)cc12 ZINC000013604978 562978684 /nfs/dbraw/zinc/97/86/84/562978684.db2.gz XUSDUSKCHYLHLE-UHFFFAOYSA-N 2 0 464.570 2.409 1 0 JEAFRP CC[NH+](CC)CCN(C(=O)CNC(=O)C[NH3+])c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000027866927 563052427 /nfs/dbraw/zinc/05/24/27/563052427.db2.gz XMZZFFBWALTATM-UHFFFAOYSA-N 2 0 462.953 2.460 1 0 JEAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000028462270 563064728 /nfs/dbraw/zinc/06/47/28/563064728.db2.gz BSIBTRDYFYLVNT-HXUWFJFHSA-N 2 0 484.472 2.175 1 0 JEAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000028823672 563081669 /nfs/dbraw/zinc/08/16/69/563081669.db2.gz ISWGUYYQOFWZJA-RPWUZVMVSA-N 2 0 464.610 2.439 1 0 JEAFRP COc1cc2c(cc1OCCCCC(N)=O)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000036382575 563128150 /nfs/dbraw/zinc/12/81/50/563128150.db2.gz JMKYJJXYHHOAKI-UHFFFAOYSA-N 2 0 499.660 2.321 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CC[NH+](C[C@@H](C)C[NH3+])CC2)CC1 ZINC000013439973 562962922 /nfs/dbraw/zinc/96/29/22/562962922.db2.gz RUMYENPTTPIVMD-INIZCTEOSA-N 3 0 452.043 2.432 1 0 JEAFRP NC(=[NH2+])c1ccc(CNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCCC[NH3+])c2=O)cc1 ZINC000013527065 562971682 /nfs/dbraw/zinc/97/16/82/562971682.db2.gz ACUBJIDFQDSSGJ-UHFFFAOYSA-N 2 0 481.988 2.315 1 0 JEAFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1 ZINC000013835273 563001328 /nfs/dbraw/zinc/00/13/28/563001328.db2.gz ARFQMYXYPXBIKQ-VWLOTQADSA-N 3 0 489.705 2.204 1 0 JEAFRP COc1ccc2c(c1)-c1nn(CC[NH+]3CCCC3)c3ccc4c(=O)n(CC[NH+](C)C)c(=O)n-2c4c31 ZINC000027754685 563051340 /nfs/dbraw/zinc/05/13/40/563051340.db2.gz LUZUZUVIZSBXNS-UHFFFAOYSA-N 2 0 474.565 2.149 1 0 JEAFRP Cc1c(F)c(N)c2c(oc(-c3ccc(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])c(F)c3)cc2=O)c1F ZINC000001655227 562922693 /nfs/dbraw/zinc/92/26/93/562922693.db2.gz CGMJYLLITCNBES-GFCCVEGCSA-N 2 0 476.459 2.297 1 0 JEAFRP C[C@@H]([NH3+])C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCC[NH3+])C(=O)Nc1ccccc1 ZINC000027428209 563044064 /nfs/dbraw/zinc/04/40/64/563044064.db2.gz YLFRNDPMRQUKDD-OIBXWCBGSA-N 2 0 467.614 2.094 1 0 JEAFRP C[C@@H]1[NH2+][C@H](CCCCCC[C@H](CO)CC[C@](O)(C[NH2+]C2(C)CC[NH2+]CC2)CC(=O)[O-])CC[C@H]1O ZINC000085488112 560075839 /nfs/dbraw/zinc/07/58/39/560075839.db2.gz DMPNPVRKYFACHV-NDRZJSJOSA-N 2 0 485.710 2.155 1 0 biogenic,in-vitro JEAFRP NC(=[NH2+])NCCC[C@@H]([NH2+]Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000013440173 562962965 /nfs/dbraw/zinc/96/29/65/562962965.db2.gz FELYKPDHPVGTIA-RPBOFIJWSA-N 2 0 499.619 2.255 1 0 JEAFRP COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCC[NH3+])C(C)C)ccc1OC ZINC000014967546 563009467 /nfs/dbraw/zinc/00/94/67/563009467.db2.gz PWRJBZSITZJPGF-SWUCNREESA-N 2 0 481.678 2.495 1 0 JEAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCCCCCCCCCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000029124142 563094355 /nfs/dbraw/zinc/09/43/55/563094355.db2.gz IOFMTYKCDCTKID-SFTDATJTSA-N 2 0 471.687 2.158 1 0 JEAFRP C[NH+](C)CCNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NCC[NH+](C)C)cc3)ncn2)cc1 ZINC000036476173 563130419 /nfs/dbraw/zinc/13/04/19/563130419.db2.gz ZPFBGIXEKIFFMV-UHFFFAOYSA-N 2 0 460.582 2.393 1 0 JEAFRP CCOC(=O)c1cc(C(N)=[NH2+])ccc1OCCCCCOc1ccc(C(N)=[NH2+])cc1C(N)=O ZINC000040431177 563143711 /nfs/dbraw/zinc/14/37/11/563143711.db2.gz WSFQIXIAGGRRFU-UHFFFAOYSA-N 2 0 455.515 2.158 1 0 JEAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000040587782 563146752 /nfs/dbraw/zinc/14/67/52/563146752.db2.gz ISWGUYYQOFWZJA-BJKOFHAPSA-N 2 0 464.610 2.439 1 0 JEAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC2CCN(C(=O)CCCC[NH3+])CC2)CC1 ZINC000013439987 562962926 /nfs/dbraw/zinc/96/29/26/562962926.db2.gz QULCWFARQJYIIV-UHFFFAOYSA-N 2 0 480.053 2.493 1 0 JEAFRP [NH3+]CCCC[C@H](NC(=O)CN(C(=O)[C@H]([NH3+])CC1CCCCC1)C1CC1)C(=O)c1nccs1 ZINC000013491427 562969490 /nfs/dbraw/zinc/96/94/90/562969490.db2.gz MIOHCCFKHZQDPS-MOPGFXCFSA-N 2 0 463.648 2.228 1 0 JEAFRP Cc1cc(N2C(=N)NC(=[NH2+])NC2(C)C)ccc1CCc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1C ZINC000029462772 563103960 /nfs/dbraw/zinc/10/39/60/563103960.db2.gz CPAOQKHJZRVIPR-UHFFFAOYSA-N 2 0 488.644 2.460 1 0 JEAFRP CCOC(=O)C1(COc2ccc3c(c2)CN(C(N)=[NH2+])CC3)CCN(c2ccc(C(N)=[NH2+])cc2)CC1 ZINC000013644397 562980607 /nfs/dbraw/zinc/98/06/07/562980607.db2.gz MIQTZYRBLMTXHZ-UHFFFAOYSA-N 2 0 478.597 2.451 1 0 JEAFRP CN(C)CC[NH2+]CCN1C(=O)c2cccc3cc4nc(NCC[NH+](C)C)sc4c(c32)C1=O ZINC000028876785 563084473 /nfs/dbraw/zinc/08/44/73/563084473.db2.gz IEDGQHREKDVDNR-UHFFFAOYSA-N 2 0 454.600 2.170 1 0 JEAFRP CCOC(=O)[C@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(N)=[NH2+])CC2)cc1 ZINC000033974949 563111474 /nfs/dbraw/zinc/11/14/74/563111474.db2.gz MSTBTADMALYDMR-HSZRJFAPSA-N 2 0 494.596 2.358 1 0 JEAFRP [NH3+]CCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CC[NH2+]CC2)nn1 ZINC000036386759 563128947 /nfs/dbraw/zinc/12/89/47/563128947.db2.gz VKGANBCLFBVERR-UHFFFAOYSA-N 2 0 463.671 2.009 3 0 JEAFRP CC(C)(Cc1ccc(NC(=O)CCC[NH3+])cc1)[NH2+]C[C@H](O)c1cc(O)cc2c1OCC(=O)N2 ZINC000045257167 563182792 /nfs/dbraw/zinc/18/27/92/563182792.db2.gz YDHFEWMVFQLZCK-FQEVSTJZSA-N 2 0 456.543 2.045 1 0 JEAFRP NC(=[NH2+])NCCC[C@H]([NH2+]Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000013440168 562963030 /nfs/dbraw/zinc/96/30/30/562963030.db2.gz FELYKPDHPVGTIA-DQEYMECFSA-N 2 0 499.619 2.255 1 0 JEAFRP CCCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000028476352 563066020 /nfs/dbraw/zinc/06/60/20/563066020.db2.gz UAGWZJAAQWXATC-VWLOTQADSA-N 3 0 469.674 2.482 1 0 JEAFRP c1ccn2c(c1)c1c3c4cccc[n+]4c(N4CCOCC4)n3c3ccccc3[n+]1c2N1CCOCC1 ZINC000031897993 563108908 /nfs/dbraw/zinc/10/89/08/563108908.db2.gz VKRVJHJLKABHQK-UHFFFAOYSA-N 2 0 480.572 2.399 1 0 JEAFRP CC(C)(C)CCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+] ZINC000013761917 562990323 /nfs/dbraw/zinc/99/03/23/562990323.db2.gz VWHLFTBNAIWCAF-VXKWHMMOSA-N 2 0 499.741 2.099 1 0 JEAFRP [NH3+]CCCC[C@@H]([NH3+])C(=O)NCCCCCCCCCCCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000029124140 563094323 /nfs/dbraw/zinc/09/43/23/563094323.db2.gz IOFMTYKCDCTKID-RTWAWAEBSA-N 2 0 471.687 2.158 1 0 JEAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CC[NH2+]CC2)c1 ZINC000034689212 563114600 /nfs/dbraw/zinc/11/46/00/563114600.db2.gz CYIQGJWVIMAQCK-DEOSSOPVSA-N 2 0 497.665 2.340 1 0 JEAFRP CC(C)(Cc1ccc(NC(=O)CCC[NH3+])cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045288904 563184596 /nfs/dbraw/zinc/18/45/96/563184596.db2.gz SZSJRKLPTIBKNS-LJQANCHMSA-N 2 0 456.543 2.045 1 0 JEAFRP