smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000575357236 1072508228 /nfs/dbraw/zinc/50/82/28/1072508228.db2.gz WQNLXRWKMHMARN-UHFFFAOYSA-N 2 3 445.612 -0.148 20 0 IBADHP CN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638917 1073178845 /nfs/dbraw/zinc/17/88/45/1073178845.db2.gz VWQPKEYXFAOKFB-GHTZIAJQSA-N 2 3 434.629 -0.102 20 0 IBADHP CN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638918 1073179129 /nfs/dbraw/zinc/17/91/29/1073179129.db2.gz VWQPKEYXFAOKFB-NQIIRXRSSA-N 2 3 434.629 -0.102 20 0 IBADHP CN(C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638919 1073180072 /nfs/dbraw/zinc/18/00/72/1073180072.db2.gz VWQPKEYXFAOKFB-RXVVDRJESA-N 2 3 434.629 -0.102 20 0 IBADHP CN(C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638920 1073180053 /nfs/dbraw/zinc/18/00/53/1073180053.db2.gz VWQPKEYXFAOKFB-WIYYLYMNSA-N 2 3 434.629 -0.102 20 0 IBADHP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870706 1073188783 /nfs/dbraw/zinc/18/87/83/1073188783.db2.gz BGRWURJVSQCTGK-KRWDZBQOSA-N 2 3 429.569 -0.448 20 0 IBADHP CC(C)N(C(=O)[C@H]1C[NH2+]CC12CNC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158870707 1073188712 /nfs/dbraw/zinc/18/87/12/1073188712.db2.gz BGRWURJVSQCTGK-QGZVFWFLSA-N 2 3 429.569 -0.448 20 0 IBADHP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158871878 1073189236 /nfs/dbraw/zinc/18/92/36/1073189236.db2.gz WVTLXCZPKNIONB-UZUQRXQVSA-N 2 3 443.596 -0.058 20 0 IBADHP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158890856 1073190106 /nfs/dbraw/zinc/19/01/06/1073190106.db2.gz OXEHZJYRKHIQAM-ROUUACIJSA-N 2 3 436.601 -0.363 20 0 IBADHP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001158890856 1073190098 /nfs/dbraw/zinc/19/00/98/1073190098.db2.gz OXEHZJYRKHIQAM-ROUUACIJSA-N 2 3 436.601 -0.363 20 0 IBADHP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001159393996 1073211384 /nfs/dbraw/zinc/21/13/84/1073211384.db2.gz LFHIQHDNWWOARF-KYFSNAEOSA-N 2 3 446.577 -0.983 20 0 IBADHP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]2C1 ZINC001159635354 1073228238 /nfs/dbraw/zinc/22/82/38/1073228238.db2.gz LWULMKZKLORZRO-FUMNGEBKSA-N 2 3 439.601 -0.371 20 0 IBADHP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]2C1 ZINC001159635354 1073228234 /nfs/dbraw/zinc/22/82/34/1073228234.db2.gz LWULMKZKLORZRO-FUMNGEBKSA-N 2 3 439.601 -0.371 20 0 IBADHP N[C@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CC[NH2+]CC1 ZINC001161124528 1073279312 /nfs/dbraw/zinc/27/93/12/1073279312.db2.gz YBCYTCQKVAHRAL-ULQDDVLXSA-N 2 3 428.528 -0.944 20 0 IBADHP N[C@@H](C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1)C1CC[NH2+]CC1 ZINC001161124529 1073279197 /nfs/dbraw/zinc/27/91/97/1073279197.db2.gz YBCYTCQKVAHRAL-YESZJQIVSA-N 2 3 428.528 -0.944 20 0 IBADHP CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218988615 1073370672 /nfs/dbraw/zinc/37/06/72/1073370672.db2.gz HYOHCCQYERBMGC-FQEVSTJZSA-N 2 3 431.585 -0.414 20 0 IBADHP CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001218988622 1073370541 /nfs/dbraw/zinc/37/05/41/1073370541.db2.gz HYOHCCQYERBMGC-HXUWFJFHSA-N 2 3 431.585 -0.414 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@H](O)OC(C)(C)C)C1 ZINC001220505537 1073392981 /nfs/dbraw/zinc/39/29/81/1073392981.db2.gz DSZKEBFOVVIBCF-IMYGGXQCSA-N 2 3 430.594 -0.065 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@H](O)OC(C)(C)C)C1 ZINC001220505538 1073392852 /nfs/dbraw/zinc/39/28/52/1073392852.db2.gz DSZKEBFOVVIBCF-NDVSXACPSA-N 2 3 430.594 -0.065 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505539 1073392819 /nfs/dbraw/zinc/39/28/19/1073392819.db2.gz DSZKEBFOVVIBCF-SARNLOFESA-N 2 3 430.594 -0.065 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCCCNC(N)=[NH2+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505540 1073393010 /nfs/dbraw/zinc/39/30/10/1073393010.db2.gz DSZKEBFOVVIBCF-XQWZKXDRSA-N 2 3 430.594 -0.065 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505541 1073392994 /nfs/dbraw/zinc/39/29/94/1073392994.db2.gz DTIDSYVGPXXWAK-CVRVEFODSA-N 2 3 430.590 -0.358 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505542 1073392908 /nfs/dbraw/zinc/39/29/08/1073392908.db2.gz DTIDSYVGPXXWAK-HDHUKYPVSA-N 2 3 430.590 -0.358 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)[C@H](O)OC(C)(C)C)C1 ZINC001220505543 1073393026 /nfs/dbraw/zinc/39/30/26/1073393026.db2.gz DTIDSYVGPXXWAK-MFTZQUKCSA-N 2 3 430.590 -0.358 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]2(C)CC[NH2+]C[C@H]2O)[C@@H](O)OC(C)(C)C)C1 ZINC001220505544 1073393058 /nfs/dbraw/zinc/39/30/58/1073393058.db2.gz DTIDSYVGPXXWAK-YKVPMEROSA-N 2 3 430.590 -0.358 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC3(C[NH2+]C3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505606 1073393073 /nfs/dbraw/zinc/39/30/73/1073393073.db2.gz FNDBHTKTZVMPLM-HMYPWROXSA-N 2 3 428.574 -0.197 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505607 1073392926 /nfs/dbraw/zinc/39/29/26/1073392926.db2.gz FNDBHTKTZVMPLM-RKYZWWOHSA-N 2 3 428.574 -0.197 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCC3(C[NH2+]C3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220505608 1073393492 /nfs/dbraw/zinc/39/34/92/1073393492.db2.gz FNDBHTKTZVMPLM-SQZHQNNWSA-N 2 3 428.574 -0.197 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](O)OC(C)(C)C)C1 ZINC001220505609 1073393572 /nfs/dbraw/zinc/39/35/72/1073393572.db2.gz FNDBHTKTZVMPLM-ZRLASGMHSA-N 2 3 428.574 -0.197 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505724 1073393605 /nfs/dbraw/zinc/39/36/05/1073393605.db2.gz GTNCLZCYOUHAEW-BEIYGRMHSA-N 2 3 434.578 -0.726 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505725 1073393512 /nfs/dbraw/zinc/39/35/12/1073393512.db2.gz GTNCLZCYOUHAEW-BGJMDTOESA-N 2 3 434.578 -0.726 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505726 1073393420 /nfs/dbraw/zinc/39/34/20/1073393420.db2.gz GTNCLZCYOUHAEW-FYAJOAKPSA-N 2 3 434.578 -0.726 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)COCCOCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505727 1073393347 /nfs/dbraw/zinc/39/33/47/1073393347.db2.gz GTNCLZCYOUHAEW-QAGGRKNESA-N 2 3 434.578 -0.726 20 0 IBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505772 1073393440 /nfs/dbraw/zinc/39/34/40/1073393440.db2.gz HPZKGZMQMCGOEC-APXNMDOFSA-N 2 3 444.573 -0.567 20 0 IBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505773 1073393541 /nfs/dbraw/zinc/39/35/41/1073393541.db2.gz HPZKGZMQMCGOEC-HRQNRUDASA-N 2 3 444.573 -0.567 20 0 IBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505774 1073393589 /nfs/dbraw/zinc/39/35/89/1073393589.db2.gz HPZKGZMQMCGOEC-IFOXIEKZSA-N 2 3 444.573 -0.567 20 0 IBADHP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505775 1073393330 /nfs/dbraw/zinc/39/33/30/1073393330.db2.gz HPZKGZMQMCGOEC-YCUVNJAFSA-N 2 3 444.573 -0.567 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220505821 1073393620 /nfs/dbraw/zinc/39/36/20/1073393620.db2.gz IIVANRHAJBFCPA-CTIVZNKISA-N 2 3 428.574 -0.484 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220505822 1073393475 /nfs/dbraw/zinc/39/34/75/1073393475.db2.gz IIVANRHAJBFCPA-NPXPAPPNSA-N 2 3 428.574 -0.484 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220505823 1073393362 /nfs/dbraw/zinc/39/33/62/1073393362.db2.gz IIVANRHAJBFCPA-RVLSYCNBSA-N 2 3 428.574 -0.484 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220505824 1073393406 /nfs/dbraw/zinc/39/34/06/1073393406.db2.gz IIVANRHAJBFCPA-RVXOUHCCSA-N 2 3 428.574 -0.484 20 0 IBADHP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505855 1073393385 /nfs/dbraw/zinc/39/33/85/1073393385.db2.gz JAORDMMNZZXCJB-IEOZYHAZSA-N 2 3 426.562 -0.425 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505856 1073393461 /nfs/dbraw/zinc/39/34/61/1073393461.db2.gz JAORDMMNZZXCJB-IUCWBUGQSA-N 2 3 426.562 -0.425 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](O)OC(C)(C)C)C1 ZINC001220505857 1073393854 /nfs/dbraw/zinc/39/38/54/1073393854.db2.gz JAORDMMNZZXCJB-JWTUNDGGSA-N 2 3 426.562 -0.425 20 0 IBADHP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505858 1073393967 /nfs/dbraw/zinc/39/39/67/1073393967.db2.gz JAORDMMNZZXCJB-LNKPAYBBSA-N 2 3 426.562 -0.425 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505859 1073394018 /nfs/dbraw/zinc/39/40/18/1073394018.db2.gz JAORDMMNZZXCJB-QLONAOMFSA-N 2 3 426.562 -0.425 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505860 1073394078 /nfs/dbraw/zinc/39/40/78/1073394078.db2.gz JAORDMMNZZXCJB-TVEHDNJASA-N 2 3 426.562 -0.425 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505862 1073394043 /nfs/dbraw/zinc/39/40/43/1073394043.db2.gz JCONATZUAGEAPI-ABWNYZJXSA-N 2 3 429.606 -0.376 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505863 1073393990 /nfs/dbraw/zinc/39/39/90/1073393990.db2.gz JCONATZUAGEAPI-CBOSDZJASA-N 2 3 429.606 -0.376 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220505864 1073393922 /nfs/dbraw/zinc/39/39/22/1073393922.db2.gz JCONATZUAGEAPI-LPXKSRHMSA-N 2 3 429.606 -0.376 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220505865 1073394109 /nfs/dbraw/zinc/39/41/09/1073394109.db2.gz JCONATZUAGEAPI-MBKANNOKSA-N 2 3 429.606 -0.376 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505878 1073393885 /nfs/dbraw/zinc/39/38/85/1073393885.db2.gz JHGUCIIZYUPGOP-DIJZNCSHSA-N 2 3 428.574 -0.341 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220505879 1073394177 /nfs/dbraw/zinc/39/41/77/1073394177.db2.gz JHGUCIIZYUPGOP-SKYLPTCNSA-N 2 3 428.574 -0.341 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220505880 1073394092 /nfs/dbraw/zinc/39/40/92/1073394092.db2.gz JHGUCIIZYUPGOP-YFNZZESYSA-N 2 3 428.574 -0.341 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220505881 1073393937 /nfs/dbraw/zinc/39/39/37/1073393937.db2.gz JHGUCIIZYUPGOP-YYXHZAJQSA-N 2 3 428.574 -0.341 20 0 IBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505938 1073394197 /nfs/dbraw/zinc/39/41/97/1073394197.db2.gz JNSRDUWYYMVHBT-CPVUPJMFSA-N 3 3 431.622 -0.001 20 0 IBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505941 1073394216 /nfs/dbraw/zinc/39/42/16/1073394216.db2.gz JNSRDUWYYMVHBT-DWGVPJFMSA-N 3 3 431.622 -0.001 20 0 IBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505942 1073394158 /nfs/dbraw/zinc/39/41/58/1073394158.db2.gz JNSRDUWYYMVHBT-IHEFFSNCSA-N 3 3 431.622 -0.001 20 0 IBADHP C[NH2+][C@@H](CCCC[NH3+])C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001220505943 1073394124 /nfs/dbraw/zinc/39/41/24/1073394124.db2.gz JNSRDUWYYMVHBT-XUBKROCYSA-N 3 3 431.622 -0.001 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506050 1073394061 /nfs/dbraw/zinc/39/40/61/1073394061.db2.gz KMFCFOSGCOSGEU-HLGHLWCTSA-N 2 3 427.590 -0.768 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506051 1073393901 /nfs/dbraw/zinc/39/39/01/1073393901.db2.gz KMFCFOSGCOSGEU-JHPDONJVSA-N 2 3 427.590 -0.768 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H](O)OC(C)(C)C)C1 ZINC001220506052 1073394138 /nfs/dbraw/zinc/39/41/38/1073394138.db2.gz KMFCFOSGCOSGEU-LHAUDXPZSA-N 2 3 427.590 -0.768 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)[C@H](O)OC(C)(C)C)C1 ZINC001220506053 1073393871 /nfs/dbraw/zinc/39/38/71/1073393871.db2.gz KMFCFOSGCOSGEU-OAZOAHQASA-N 2 3 427.590 -0.768 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220506368 1073394795 /nfs/dbraw/zinc/39/47/95/1073394795.db2.gz MJDZHRMDRKZUJY-GMDVHLNESA-N 2 3 430.590 -0.213 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220506369 1073394444 /nfs/dbraw/zinc/39/44/44/1073394444.db2.gz MJDZHRMDRKZUJY-JSBNFDKTSA-N 2 3 430.590 -0.213 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@]2(O)CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506370 1073394640 /nfs/dbraw/zinc/39/46/40/1073394640.db2.gz MJDZHRMDRKZUJY-PAQFRHATSA-N 2 3 430.590 -0.213 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@]2(O)CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506371 1073394603 /nfs/dbraw/zinc/39/46/03/1073394603.db2.gz MJDZHRMDRKZUJY-SOOOQOMNSA-N 2 3 430.590 -0.213 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506652 1073394785 /nfs/dbraw/zinc/39/47/85/1073394785.db2.gz PBOAGVVRAKXSST-HSGSIZQLSA-N 2 3 431.578 -0.735 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001220506653 1073394525 /nfs/dbraw/zinc/39/45/25/1073394525.db2.gz PBOAGVVRAKXSST-PAUSBUDFSA-N 2 3 431.578 -0.735 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506654 1073394661 /nfs/dbraw/zinc/39/46/61/1073394661.db2.gz PBOAGVVRAKXSST-QTUVYZQZSA-N 2 3 431.578 -0.735 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]([NH3+])CCC(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220506655 1073394775 /nfs/dbraw/zinc/39/47/75/1073394775.db2.gz PBOAGVVRAKXSST-VRBUCKFRSA-N 2 3 431.578 -0.735 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220506820 1073394562 /nfs/dbraw/zinc/39/45/62/1073394562.db2.gz PVOGVMNVOQENCD-DWGVPJFMSA-N 3 3 429.606 -0.391 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H](N)C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506821 1073394730 /nfs/dbraw/zinc/39/47/30/1073394730.db2.gz PVOGVMNVOQENCD-IHEFFSNCSA-N 3 3 429.606 -0.391 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](O)OC(C)(C)C)C1 ZINC001220506822 1073394510 /nfs/dbraw/zinc/39/45/10/1073394510.db2.gz PVOGVMNVOQENCD-RJENKUHMSA-N 3 3 429.606 -0.391 20 0 IBADHP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H](N)C2CC[NH2+]CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506823 1073394542 /nfs/dbraw/zinc/39/45/42/1073394542.db2.gz PVOGVMNVOQENCD-YORKTUFCSA-N 3 3 429.606 -0.391 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506857 1073395057 /nfs/dbraw/zinc/39/50/57/1073395057.db2.gz QDHJGKDLIXEVIZ-BVBVUKCESA-N 2 3 443.589 -0.850 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506858 1073395328 /nfs/dbraw/zinc/39/53/28/1073395328.db2.gz QDHJGKDLIXEVIZ-IGVQRDAMSA-N 2 3 443.589 -0.850 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](O)OC(C)(C)C)C1 ZINC001220506859 1073394959 /nfs/dbraw/zinc/39/49/59/1073394959.db2.gz QDHJGKDLIXEVIZ-JYLMTPQZSA-N 2 3 443.589 -0.850 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](O)OC(C)(C)C)C1 ZINC001220506860 1073394926 /nfs/dbraw/zinc/39/49/26/1073394926.db2.gz QDHJGKDLIXEVIZ-PSJNWGMYSA-N 2 3 443.589 -0.850 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220507003 1073395352 /nfs/dbraw/zinc/39/53/52/1073395352.db2.gz QYNCRCBENPJQHB-OPUYFTITSA-N 2 3 442.601 -0.094 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220507004 1073395277 /nfs/dbraw/zinc/39/52/77/1073395277.db2.gz QYNCRCBENPJQHB-QKMXJJJSSA-N 2 3 442.601 -0.094 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)[C@H](O)OC(C)(C)C)C1 ZINC001220507005 1073395305 /nfs/dbraw/zinc/39/53/05/1073395305.db2.gz QYNCRCBENPJQHB-SXVSYTOMSA-N 2 3 442.601 -0.094 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)[C@@H](O)OC(C)(C)C)C1 ZINC001220507006 1073395246 /nfs/dbraw/zinc/39/52/46/1073395246.db2.gz QYNCRCBENPJQHB-XFGNPXAVSA-N 2 3 442.601 -0.094 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507133 1073395938 /nfs/dbraw/zinc/39/59/38/1073395938.db2.gz SUAGPOVCEWFMSV-NJSXLEHNSA-N 2 3 428.574 -0.482 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507134 1073395917 /nfs/dbraw/zinc/39/59/17/1073395917.db2.gz SUAGPOVCEWFMSV-TXRLXJQQSA-N 2 3 428.574 -0.482 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H](O)OC(C)(C)C)C1 ZINC001220507135 1073395870 /nfs/dbraw/zinc/39/58/70/1073395870.db2.gz SUAGPOVCEWFMSV-VIZJMNRKSA-N 2 3 428.574 -0.482 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507136 1073395669 /nfs/dbraw/zinc/39/56/69/1073395669.db2.gz SUAGPOVCEWFMSV-WIEUCETKSA-N 2 3 428.574 -0.482 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507179 1073395654 /nfs/dbraw/zinc/39/56/54/1073395654.db2.gz TWSVZWHBMBXFIC-FAEUKAQKSA-N 2 3 427.590 -0.496 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507180 1073395786 /nfs/dbraw/zinc/39/57/86/1073395786.db2.gz TWSVZWHBMBXFIC-KYRFFOQWSA-N 2 3 427.590 -0.496 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507181 1073395754 /nfs/dbraw/zinc/39/57/54/1073395754.db2.gz TWSVZWHBMBXFIC-OSRKFRNWSA-N 2 3 427.590 -0.496 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)[C@H](O)OC(C)(C)C)C1 ZINC001220507182 1073395578 /nfs/dbraw/zinc/39/55/78/1073395578.db2.gz TWSVZWHBMBXFIC-YSWCHZLZSA-N 2 3 427.590 -0.496 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507212 1073395854 /nfs/dbraw/zinc/39/58/54/1073395854.db2.gz UKNUAQJVTKLPJO-IGVKYNMGSA-N 2 3 427.590 -0.767 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@H](O)OC(C)(C)C)C1 ZINC001220507213 1073395691 /nfs/dbraw/zinc/39/56/91/1073395691.db2.gz UKNUAQJVTKLPJO-NJSXLEHNSA-N 2 3 427.590 -0.767 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)[C@H](O)OC(C)(C)C)C1 ZINC001220507214 1073395597 /nfs/dbraw/zinc/39/55/97/1073395597.db2.gz UKNUAQJVTKLPJO-UABVXYMQSA-N 2 3 427.590 -0.767 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)[C@@H](O)OC(C)(C)C)C1 ZINC001220507215 1073395836 /nfs/dbraw/zinc/39/58/36/1073395836.db2.gz UKNUAQJVTKLPJO-WIEUCETKSA-N 2 3 427.590 -0.767 20 0 IBADHP C[C@H](N)C(=O)N[C@@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507319 1073396449 /nfs/dbraw/zinc/39/64/49/1073396449.db2.gz VUIGLEQSRKMXHQ-ATVPTECVSA-N 2 3 431.578 -0.866 20 0 IBADHP C[C@H](N)C(=O)N[C@@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507320 1073396306 /nfs/dbraw/zinc/39/63/06/1073396306.db2.gz VUIGLEQSRKMXHQ-RAIGWLFXSA-N 2 3 431.578 -0.866 20 0 IBADHP C[C@H](N)C(=O)N[C@@H](C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507321 1073396471 /nfs/dbraw/zinc/39/64/71/1073396471.db2.gz VUIGLEQSRKMXHQ-RTYLXBGUSA-N 2 3 431.578 -0.866 20 0 IBADHP C[C@H](N)C(=O)N[C@@H](C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507322 1073396529 /nfs/dbraw/zinc/39/65/29/1073396529.db2.gz VUIGLEQSRKMXHQ-WLGYCZFTSA-N 2 3 431.578 -0.866 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)[C@@H]2CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507335 1073396373 /nfs/dbraw/zinc/39/63/73/1073396373.db2.gz WCXRCLFOHKUONB-DVFHKXEWSA-N 2 3 443.633 -0.034 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)[C@H]2CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220507336 1073396339 /nfs/dbraw/zinc/39/63/39/1073396339.db2.gz WCXRCLFOHKUONB-HRFMKDBOSA-N 2 3 443.633 -0.034 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)[C@H]2CCC[NH2+]C2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507337 1073396227 /nfs/dbraw/zinc/39/62/27/1073396227.db2.gz WCXRCLFOHKUONB-IJKWGBFBSA-N 2 3 443.633 -0.034 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(C)[C@@H]2CCC[NH2+]C2)[C@H](O)OC(C)(C)C)C1 ZINC001220507338 1073396432 /nfs/dbraw/zinc/39/64/32/1073396432.db2.gz WCXRCLFOHKUONB-ZTEVBBAKSA-N 2 3 443.633 -0.034 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220507369 1073396396 /nfs/dbraw/zinc/39/63/96/1073396396.db2.gz WQXZPEONIFRUAD-GNICKWGQSA-N 2 3 427.546 -0.744 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220507370 1073396355 /nfs/dbraw/zinc/39/63/55/1073396355.db2.gz WQXZPEONIFRUAD-GPGDMKIHSA-N 2 3 427.546 -0.744 20 0 IBADHP CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@@H](O)OC(C)(C)C)C1 ZINC001220507371 1073396567 /nfs/dbraw/zinc/39/65/67/1073396567.db2.gz WQXZPEONIFRUAD-KFNDXXQJSA-N 2 3 427.546 -0.744 20 0 IBADHP CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NO[C@@H]3C[NH2+]C[C@H]23)[C@H](O)OC(C)(C)C)C1 ZINC001220507372 1073396324 /nfs/dbraw/zinc/39/63/24/1073396324.db2.gz WQXZPEONIFRUAD-OCQLTVAKSA-N 2 3 427.546 -0.744 20 0 IBADHP COC(=O)CC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507555 1073396791 /nfs/dbraw/zinc/39/67/91/1073396791.db2.gz ZTDKMKLBQCQMGM-AZQUSHFISA-N 2 3 432.562 -0.438 20 0 IBADHP COC(=O)CC[C@H](N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507556 1073396888 /nfs/dbraw/zinc/39/68/88/1073396888.db2.gz ZTDKMKLBQCQMGM-FUZQMIKYSA-N 2 3 432.562 -0.438 20 0 IBADHP COC(=O)CC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507557 1073396851 /nfs/dbraw/zinc/39/68/51/1073396851.db2.gz ZTDKMKLBQCQMGM-KDWNQABDSA-N 2 3 432.562 -0.438 20 0 IBADHP COC(=O)CC[C@H](N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001220507558 1073396703 /nfs/dbraw/zinc/39/67/03/1073396703.db2.gz ZTDKMKLBQCQMGM-SWLGVLRJSA-N 2 3 432.562 -0.438 20 0 IBADHP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)CCCC[NH+](C)C)c2nonc21 ZINC001220749080 1073404292 /nfs/dbraw/zinc/40/42/92/1073404292.db2.gz PKAWEVZESCUPOC-ZDUSSCGKSA-N 2 3 441.558 -0.176 20 0 IBADHP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)C2CC[NH2+]CC2)c2nonc21 ZINC001220749696 1073404896 /nfs/dbraw/zinc/40/48/96/1073404896.db2.gz YVPKZAZYVWAOOF-AWEZNQCLSA-N 2 3 425.515 -0.908 20 0 IBADHP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H](N)C2CC[NH2+]CC2)c2nonc21 ZINC001220749699 1073404796 /nfs/dbraw/zinc/40/47/96/1073404796.db2.gz YVPKZAZYVWAOOF-CQSZACIVSA-N 2 3 425.515 -0.908 20 0 IBADHP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001221392432 1073428974 /nfs/dbraw/zinc/42/89/74/1073428974.db2.gz WHHBLXUJLLELBF-ULQDDVLXSA-N 2 3 439.605 -0.081 20 0 IBADHP N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCOCCOCCOCCOCC[NH3+] ZINC001245990109 1073500303 /nfs/dbraw/zinc/50/03/03/1073500303.db2.gz OXTFZJGQQWMZIH-VQTJNVASSA-N 2 3 435.512 -0.190 20 0 IBADHP [NH3+]CCOCCOCCOCCOCCOCCOCCNC1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246343721 1073509246 /nfs/dbraw/zinc/50/92/46/1073509246.db2.gz HLRXFVQDESXEPY-WCRBZPEASA-N 2 3 431.574 -0.307 20 0 IBADHP